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 2g18_1_J DATA FIRST_RESID 8 DATA SEQUENCE SLREQQHPLI RQLADCIEEV WHQHLDLSPY HLPAELGYVE GRLEGEKLTI DATA SEQUENCE ENRCYQTPQF RKMHLELAKV GNMLDILHCV MFPRPEYDLP MFGCDLVGGR DATA SEQUENCE GQISAAIADL SPVHLDRTLP ESYNSALTSL NTLNFSQPRE LPEWGNIFSD DATA SEQUENCE FCIFVRPSSP EEEAMFLGRV REFLQVHCQG AIAASPVSAE QKQQILAGQH DATA SEQUENCE NYCSKQQQND KTRRVLEKAF GVDWAENYMT TVLFDLPE 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 8 S HA 0.000 nan 4.470 nan 0.000 0.327 8 S C 0.000 174.666 174.600 0.110 0.000 1.055 8 S CA 0.000 58.259 58.200 0.098 0.000 1.107 8 S CB 0.000 63.260 63.200 0.099 0.000 0.593 9 L N 4.620 125.932 121.223 0.147 0.000 2.129 9 L HA -0.003 4.337 4.340 -0.000 0.000 0.212 9 L C 2.663 179.594 176.870 0.102 0.000 1.087 9 L CA 2.674 57.596 54.840 0.137 0.000 0.757 9 L CB -0.639 41.515 42.059 0.158 0.000 0.896 9 L HN 0.825 nan 8.230 nan 0.000 0.434 10 R N -0.971 119.588 120.500 0.098 0.000 2.200 10 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 10 R C 1.464 177.804 176.300 0.066 0.000 1.127 10 R CA 1.381 57.530 56.100 0.082 0.000 0.989 10 R CB -0.785 29.562 30.300 0.079 0.000 0.869 10 R HN 0.414 nan 8.270 nan 0.000 0.459 11 E N 1.498 121.735 120.200 0.062 0.000 2.204 11 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 11 E C 1.593 178.218 176.600 0.041 0.000 0.989 11 E CA 1.116 57.543 56.400 0.046 0.000 0.824 11 E CB -0.081 29.645 29.700 0.044 0.000 0.756 11 E HN 0.665 nan 8.360 nan 0.000 0.477 12 Q N 0.239 120.070 119.800 0.052 0.000 2.403 12 Q HA 0.076 4.416 4.340 -0.000 0.000 0.203 12 Q C 0.554 176.583 176.000 0.048 0.000 0.932 12 Q CA 0.144 55.974 55.803 0.046 0.000 0.945 12 Q CB 0.421 29.191 28.738 0.053 0.000 1.045 12 Q HN 0.265 nan 8.270 nan 0.000 0.511 13 Q N -0.332 119.502 119.800 0.057 0.000 2.195 13 Q HA 0.200 4.540 4.340 -0.000 0.000 0.250 13 Q C -0.749 175.301 176.000 0.083 0.000 0.988 13 Q CA -0.804 55.046 55.803 0.078 0.000 0.911 13 Q CB 1.073 29.866 28.738 0.092 0.000 1.258 13 Q HN 0.194 nan 8.270 nan 0.000 0.475 14 H N 1.183 120.267 119.070 0.023 0.000 3.115 14 H HA -0.073 4.483 4.556 0.000 0.000 0.324 14 H C -1.792 173.549 175.328 0.023 0.000 1.007 14 H CA -0.464 55.595 56.048 0.018 0.000 1.385 14 H CB 0.795 30.565 29.762 0.013 0.000 1.351 14 H HN 0.334 nan 8.280 nan 0.000 0.592 15 P HA -0.177 nan 4.420 nan 0.000 0.219 15 P C 1.425 178.769 177.300 0.073 0.000 1.146 15 P CA 0.777 63.821 63.100 -0.094 0.000 0.808 15 P CB 0.171 31.762 31.700 -0.182 0.000 0.779 16 L N -1.122 120.273 121.223 0.287 0.000 2.156 16 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 16 L C 2.103 179.088 176.870 0.191 0.000 1.095 16 L CA 1.506 56.504 54.840 0.263 0.000 0.770 16 L CB -0.932 41.299 42.059 0.286 0.000 0.914 16 L HN -0.144 nan 8.230 nan 0.000 0.439 17 I N -0.561 120.133 120.570 0.207 0.000 2.179 17 I HA -0.317 3.853 4.170 -0.000 0.000 0.242 17 I C 2.723 178.898 176.117 0.096 0.000 1.088 17 I CA 1.567 62.944 61.300 0.128 0.000 1.357 17 I CB -0.317 37.757 38.000 0.122 0.000 1.051 17 I HN 0.296 nan 8.210 nan 0.000 0.409 18 R N 0.928 121.482 120.500 0.090 0.000 2.094 18 R HA -0.267 4.073 4.340 -0.000 0.000 0.239 18 R C 2.295 178.622 176.300 0.046 0.000 1.137 18 R CA 1.991 58.127 56.100 0.061 0.000 0.943 18 R CB -0.284 30.044 30.300 0.046 0.000 0.850 18 R HN 0.339 nan 8.270 nan 0.000 0.433 19 Q N -0.101 119.730 119.800 0.052 0.000 2.061 19 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 19 Q C 2.103 178.116 176.000 0.022 0.000 0.984 19 Q CA 1.755 57.581 55.803 0.037 0.000 0.846 19 Q CB -0.190 28.580 28.738 0.052 0.000 0.902 19 Q HN 0.286 nan 8.270 nan 0.000 0.421 20 L N 0.296 121.546 121.223 0.046 0.000 2.046 20 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 20 L C 2.056 178.908 176.870 -0.031 0.000 1.077 20 L CA 2.091 56.945 54.840 0.024 0.000 0.747 20 L CB -0.935 41.178 42.059 0.090 0.000 0.896 20 L HN 0.177 nan 8.230 nan 0.000 0.432 21 A N -0.749 122.067 122.820 -0.008 0.000 1.858 21 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 21 A C 2.018 179.564 177.584 -0.064 0.000 1.190 21 A CA 1.942 53.959 52.037 -0.033 0.000 0.617 21 A CB -0.917 18.096 19.000 0.021 0.000 0.827 21 A HN 0.504 nan 8.150 nan 0.000 0.443 22 D N -0.714 119.670 120.400 -0.027 0.000 2.123 22 D HA -0.154 4.486 4.640 -0.000 0.000 0.196 22 D C 2.021 178.270 176.300 -0.086 0.000 0.992 22 D CA 1.446 55.429 54.000 -0.028 0.000 0.833 22 D CB -0.796 40.005 40.800 0.000 0.000 0.954 22 D HN 0.509 nan 8.370 nan 0.000 0.455 23 C N 0.335 119.574 119.300 -0.103 0.000 2.446 23 C HA -0.026 4.434 4.460 -0.000 0.000 0.277 23 C C 2.748 177.580 174.990 -0.264 0.000 1.275 23 C CA 0.103 59.033 59.018 -0.146 0.000 1.727 23 C CB -1.228 26.446 27.740 -0.110 0.000 2.010 23 C HN 0.237 nan 8.230 nan 0.000 0.486 24 I N 0.846 121.207 120.570 -0.348 0.000 2.226 24 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 24 I C 2.719 178.318 176.117 -0.864 0.000 1.100 24 I CA 1.964 62.863 61.300 -0.669 0.000 1.374 24 I CB -0.555 37.017 38.000 -0.712 0.000 1.057 24 I HN 0.466 nan 8.210 nan 0.000 0.413 25 E N 0.256 120.143 120.200 -0.522 0.000 2.106 25 E HA -0.269 4.081 4.350 -0.000 0.000 0.192 25 E C 2.054 178.533 176.600 -0.200 0.000 0.984 25 E CA 1.087 57.330 56.400 -0.261 0.000 0.806 25 E CB -0.052 29.643 29.700 -0.008 0.000 0.750 25 E HN 0.468 nan 8.360 nan 0.000 0.458 26 E N 0.601 120.638 120.200 -0.271 0.000 2.051 26 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 26 E C 2.122 178.415 176.600 -0.512 0.000 0.991 26 E CA 1.193 57.300 56.400 -0.488 0.000 0.799 26 E CB 0.174 29.730 29.700 -0.240 0.000 0.748 26 E HN 0.019 nan 8.360 nan 0.000 0.449 27 V N 0.366 120.109 119.914 -0.286 0.000 2.295 27 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 27 V C 2.081 178.204 176.094 0.049 0.000 1.049 27 V CA 1.786 64.023 62.300 -0.105 0.000 1.024 27 V CB -0.738 30.964 31.823 -0.201 0.000 0.648 27 V HN 0.468 nan 8.190 nan 0.000 0.447 28 W N 1.186 122.365 121.300 -0.203 0.000 2.317 28 W HA -0.218 4.442 4.660 -0.000 0.000 0.318 28 W C 2.870 179.316 176.519 -0.121 0.000 1.227 28 W CA 2.055 59.288 57.345 -0.187 0.000 1.269 28 W CB -1.569 27.744 29.460 -0.245 0.000 1.155 28 W HN 0.752 nan 8.180 nan 0.000 0.484 29 H N -1.092 118.054 119.070 0.126 0.000 2.462 29 H HA -0.047 4.508 4.556 -0.000 0.000 0.292 29 H C 1.694 177.036 175.328 0.023 0.000 1.049 29 H CA 1.762 57.827 56.048 0.028 0.000 1.334 29 H CB -0.814 28.945 29.762 -0.005 0.000 1.404 29 H HN 0.012 nan 8.280 nan 0.000 0.544 30 Q N 0.359 120.162 119.800 0.005 0.000 2.083 30 Q HA -0.055 4.285 4.340 -0.000 0.000 0.198 30 Q C 1.908 177.857 176.000 -0.086 0.000 0.969 30 Q CA 1.410 57.206 55.803 -0.011 0.000 0.838 30 Q CB -0.165 28.485 28.738 -0.147 0.000 0.900 30 Q HN 0.779 nan 8.270 nan 0.000 0.436 31 H N -1.008 118.057 119.070 -0.008 0.000 2.520 31 H HA 0.241 4.797 4.556 0.000 0.000 0.279 31 H C 0.559 175.885 175.328 -0.002 0.000 0.990 31 H CA 0.230 56.273 56.048 -0.008 0.000 1.288 31 H CB 0.957 30.711 29.762 -0.015 0.000 1.446 31 H HN 0.065 nan 8.280 nan 0.000 0.538 32 L N 0.306 121.601 121.223 0.119 0.000 2.279 32 L HA 0.261 4.600 4.340 -0.000 0.000 0.262 32 L C -0.312 176.574 176.870 0.025 0.000 1.019 32 L CA -1.022 53.852 54.840 0.056 0.000 0.823 32 L CB 1.829 43.898 42.059 0.017 0.000 1.358 32 L HN -0.141 nan 8.230 nan 0.000 0.432 33 D N 1.704 122.109 120.400 0.008 0.000 2.485 33 D HA 0.363 5.003 4.640 -0.000 0.000 0.221 33 D C -0.788 175.514 176.300 0.003 0.000 1.112 33 D CA -0.186 53.818 54.000 0.006 0.000 0.911 33 D CB 0.320 41.123 40.800 0.004 0.000 1.019 33 D HN 0.255 nan 8.370 nan 0.000 0.516 34 L N 2.302 123.523 121.223 -0.003 0.000 2.305 34 L HA 0.398 4.738 4.340 -0.000 0.000 0.281 34 L C 0.460 177.379 176.870 0.082 0.000 1.085 34 L CA -0.402 54.439 54.840 0.001 0.000 0.813 34 L CB 1.254 43.246 42.059 -0.111 0.000 1.157 34 L HN 0.223 nan 8.230 nan 0.000 0.436 35 S N 3.031 118.805 115.700 0.124 0.000 2.600 35 S HA 0.600 5.070 4.470 -0.000 0.000 0.300 35 S C -2.523 172.184 174.600 0.179 0.000 1.087 35 S CA -1.239 57.035 58.200 0.123 0.000 0.965 35 S CB 2.097 65.332 63.200 0.059 0.000 1.089 35 S HN 0.420 nan 8.310 nan 0.000 0.496 36 P HA 0.199 nan 4.420 nan 0.000 0.274 36 P C -1.509 175.713 177.300 -0.129 0.000 1.231 36 P CA -0.221 62.850 63.100 -0.048 0.000 0.790 36 P CB 0.281 31.892 31.700 -0.147 0.000 0.951 37 Y N 1.483 121.621 120.300 -0.270 0.000 2.329 37 Y HA 0.341 4.890 4.550 -0.000 0.000 0.328 37 Y C -0.397 175.407 175.900 -0.160 0.000 0.992 37 Y CA -0.868 57.100 58.100 -0.220 0.000 1.151 37 Y CB 1.004 39.403 38.460 -0.102 0.000 1.150 37 Y HN 0.353 nan 8.280 nan 0.000 0.450 38 H N 6.703 125.596 119.070 -0.295 0.000 2.580 38 H HA 0.371 4.927 4.556 -0.000 0.000 0.322 38 H C -0.308 174.904 175.328 -0.193 0.000 1.082 38 H CA -0.249 55.690 56.048 -0.181 0.000 1.383 38 H CB 1.199 30.871 29.762 -0.150 0.000 1.450 38 H HN 0.756 nan 8.280 nan 0.000 0.505 39 L N 3.952 125.236 121.223 0.101 0.000 2.431 39 L HA 0.342 4.681 4.340 -0.000 0.000 0.260 39 L C -1.631 175.225 176.870 -0.023 0.000 1.098 39 L CA -2.083 52.770 54.840 0.022 0.000 0.800 39 L CB 0.078 42.153 42.059 0.025 0.000 1.210 39 L HN 0.399 nan 8.230 nan 0.000 0.465 40 P HA -0.037 nan 4.420 nan 0.000 0.262 40 P C 0.190 177.476 177.300 -0.023 0.000 1.182 40 P CA 0.156 63.229 63.100 -0.045 0.000 0.761 40 P CB 0.760 32.426 31.700 -0.056 0.000 0.795 41 A N 3.986 126.785 122.820 -0.035 0.000 1.903 41 A HA -0.296 4.023 4.320 -0.000 0.000 0.219 41 A C 2.000 179.601 177.584 0.029 0.000 1.191 41 A CA 1.953 53.976 52.037 -0.023 0.000 0.638 41 A CB -1.133 17.844 19.000 -0.038 0.000 0.823 41 A HN 0.653 nan 8.150 nan 0.000 0.451 42 E N -0.799 119.420 120.200 0.033 0.000 2.219 42 E HA -0.172 4.178 4.350 -0.000 0.000 0.198 42 E C 1.573 178.236 176.600 0.106 0.000 0.998 42 E CA 1.168 57.608 56.400 0.067 0.000 0.818 42 E CB -0.207 29.527 29.700 0.056 0.000 0.741 42 E HN 0.691 nan 8.360 nan 0.000 0.477 43 L N -1.193 120.084 121.223 0.090 0.000 2.554 43 L HA 0.138 4.478 4.340 -0.000 0.000 0.225 43 L C 2.240 179.212 176.870 0.170 0.000 1.104 43 L CA 0.179 55.100 54.840 0.136 0.000 0.866 43 L CB 0.174 42.267 42.059 0.056 0.000 1.047 43 L HN 0.148 nan 8.230 nan 0.000 0.468 44 G N -0.439 108.451 108.800 0.150 0.000 2.422 44 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 44 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 44 G C 0.025 175.096 174.900 0.285 0.000 1.140 44 G CA 0.572 45.783 45.100 0.185 0.000 0.775 44 G HN 0.285 nan 8.290 nan 0.000 0.545 45 Y N -0.402 119.968 120.300 0.116 0.000 2.362 45 Y HA 0.527 5.077 4.550 -0.000 0.000 0.326 45 Y C -1.330 174.643 175.900 0.121 0.000 1.083 45 Y CA -1.118 57.052 58.100 0.117 0.000 1.073 45 Y CB 1.908 40.419 38.460 0.085 0.000 1.211 45 Y HN -0.076 nan 8.280 nan 0.000 0.433 46 V N 5.920 125.694 119.914 -0.232 0.000 2.531 46 V HA 0.479 4.599 4.120 -0.000 0.000 0.301 46 V C -0.918 175.058 176.094 -0.196 0.000 1.034 46 V CA -0.863 61.379 62.300 -0.096 0.000 0.865 46 V CB 1.907 33.767 31.823 0.062 0.000 0.995 46 V HN 0.733 nan 8.190 nan 0.000 0.424 47 E N 2.338 122.497 120.200 -0.069 0.000 2.222 47 E HA 0.781 5.131 4.350 -0.000 0.000 0.267 47 E C 0.029 176.698 176.600 0.114 0.000 0.884 47 E CA -0.470 55.915 56.400 -0.024 0.000 0.764 47 E CB 2.699 32.398 29.700 -0.001 0.000 1.169 47 E HN 0.879 nan 8.360 nan 0.000 0.413 48 G N 1.614 110.446 108.800 0.053 0.000 2.706 48 G HA2 0.535 4.495 3.960 -0.000 0.000 0.307 48 G HA3 0.535 4.495 3.960 -0.000 0.000 0.307 48 G C -1.196 173.608 174.900 -0.160 0.000 1.307 48 G CA -0.641 44.433 45.100 -0.044 0.000 0.790 48 G HN 0.199 nan 8.290 nan 0.000 0.503 49 R N -0.945 119.398 120.500 -0.261 0.000 2.725 49 R HA 0.704 5.044 4.340 -0.000 0.000 0.277 49 R C -2.023 174.126 176.300 -0.251 0.000 0.987 49 R CA -0.771 55.212 56.100 -0.195 0.000 0.901 49 R CB 2.108 32.329 30.300 -0.130 0.000 1.207 49 R HN 0.493 nan 8.270 nan 0.000 0.463 50 L N 2.283 123.396 121.223 -0.183 0.000 2.580 50 L HA 0.255 4.595 4.340 -0.000 0.000 0.266 50 L C -0.395 176.407 176.870 -0.113 0.000 0.955 50 L CA 0.113 54.849 54.840 -0.173 0.000 0.886 50 L CB 1.202 43.145 42.059 -0.194 0.000 1.263 50 L HN 0.689 nan 8.230 nan 0.000 0.406 51 E N 3.807 123.950 120.200 -0.097 0.000 2.440 51 E HA -0.282 4.068 4.350 -0.000 0.000 0.246 51 E C 1.049 177.614 176.600 -0.059 0.000 1.165 51 E CA 1.059 57.417 56.400 -0.069 0.000 0.726 51 E CB -1.669 27.996 29.700 -0.058 0.000 1.271 51 E HN 1.330 nan 8.360 nan 0.000 0.397 52 G N -0.501 108.261 108.800 -0.063 0.000 2.267 52 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.257 52 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.257 52 G C 0.144 175.014 174.900 -0.049 0.000 0.998 52 G CA 0.649 45.719 45.100 -0.050 0.000 0.620 52 G HN 0.320 nan 8.290 nan 0.000 0.529 53 E N 0.976 121.141 120.200 -0.057 0.000 2.331 53 E HA 0.321 4.671 4.350 -0.000 0.000 0.272 53 E C 0.412 176.974 176.600 -0.063 0.000 1.036 53 E CA -0.521 55.849 56.400 -0.051 0.000 0.864 53 E CB 1.327 30.998 29.700 -0.048 0.000 1.035 53 E HN 0.445 nan 8.360 nan 0.000 0.408 54 K N 2.738 123.111 120.400 -0.045 0.000 2.412 54 K HA 0.122 4.442 4.320 -0.000 0.000 0.281 54 K C -0.469 176.095 176.600 -0.060 0.000 1.027 54 K CA -0.174 56.086 56.287 -0.046 0.000 0.989 54 K CB 0.349 32.839 32.500 -0.018 0.000 0.935 54 K HN 0.373 nan 8.250 nan 0.000 0.475 55 L N 3.928 125.099 121.223 -0.087 0.000 2.307 55 L HA 0.450 4.790 4.340 -0.000 0.000 0.284 55 L C -1.256 175.569 176.870 -0.076 0.000 1.023 55 L CA -0.057 54.726 54.840 -0.096 0.000 0.810 55 L CB 1.887 43.843 42.059 -0.172 0.000 1.231 55 L HN 0.670 nan 8.230 nan 0.000 0.423 56 T N 5.929 120.442 114.554 -0.069 0.000 2.886 56 T HA 0.611 4.961 4.350 -0.000 0.000 0.292 56 T C -0.596 174.053 174.700 -0.085 0.000 1.012 56 T CA -0.298 61.727 62.100 -0.125 0.000 0.982 56 T CB 1.433 70.242 68.868 -0.099 0.000 1.018 56 T HN 0.417 nan 8.240 nan 0.000 0.451 57 I N 2.043 122.537 120.570 -0.128 0.000 2.498 57 I HA 0.488 4.658 4.170 -0.000 0.000 0.290 57 I C -0.295 175.823 176.117 0.002 0.000 1.032 57 I CA -0.785 60.516 61.300 0.002 0.000 1.073 57 I CB 2.436 40.493 38.000 0.095 0.000 1.251 57 I HN 0.556 nan 8.210 nan 0.000 0.426 58 E N 5.688 125.968 120.200 0.133 0.000 2.185 58 E HA 0.393 4.742 4.350 -0.000 0.000 0.261 58 E C -1.300 175.455 176.600 0.258 0.000 0.879 58 E CA -0.623 55.920 56.400 0.237 0.000 0.756 58 E CB 1.170 31.025 29.700 0.258 0.000 1.152 58 E HN 0.488 nan 8.360 nan 0.000 0.416 59 N N 3.445 122.318 118.700 0.288 0.000 2.314 59 N HA 0.459 5.199 4.740 -0.000 0.000 0.304 59 N C -1.129 174.545 175.510 0.273 0.000 1.073 59 N CA -0.553 52.698 53.050 0.336 0.000 0.822 59 N CB 1.913 40.613 38.487 0.355 0.000 1.280 59 N HN 0.419 nan 8.380 nan 0.000 0.489 60 R N 1.139 121.824 120.500 0.308 0.000 2.533 60 R HA 0.535 4.875 4.340 -0.000 0.000 0.288 60 R C -1.676 174.735 176.300 0.185 0.000 1.039 60 R CA -0.426 55.785 56.100 0.185 0.000 0.909 60 R CB 1.047 31.477 30.300 0.216 0.000 1.195 60 R HN 0.583 nan 8.270 nan 0.000 0.438 61 C N 3.486 122.738 119.300 -0.080 0.000 2.698 61 C HA 0.671 5.131 4.460 -0.000 0.000 0.309 61 C C -1.251 173.521 174.990 -0.363 0.000 1.186 61 C CA -0.768 58.192 59.018 -0.097 0.000 1.474 61 C CB 1.043 28.781 27.740 -0.003 0.000 2.020 61 C HN 0.807 nan 8.230 nan 0.000 0.474 62 Y N 0.756 121.049 120.300 -0.011 0.000 2.665 62 Y HA 0.704 5.254 4.550 -0.000 0.000 0.336 62 Y C -0.039 175.816 175.900 -0.074 0.000 1.085 62 Y CA -0.841 57.240 58.100 -0.032 0.000 1.096 62 Y CB 1.310 39.699 38.460 -0.117 0.000 1.301 62 Y HN 0.708 nan 8.280 nan 0.000 0.493 63 Q N -0.333 119.570 119.800 0.172 0.000 2.511 63 Q HA 0.819 5.159 4.340 -0.000 0.000 0.289 63 Q C -1.472 174.579 176.000 0.085 0.000 1.021 63 Q CA -1.097 54.775 55.803 0.115 0.000 0.785 63 Q CB 2.976 31.823 28.738 0.182 0.000 1.472 63 Q HN 0.738 nan 8.270 nan 0.000 0.411 64 T N -3.879 110.725 114.554 0.085 0.000 2.787 64 T HA 0.482 4.832 4.350 -0.000 0.000 0.297 64 T C -2.390 172.316 174.700 0.010 0.000 1.221 64 T CA -1.627 60.500 62.100 0.045 0.000 1.006 64 T CB 1.348 70.252 68.868 0.059 0.000 1.328 64 T HN 0.346 nan 8.240 nan 0.000 0.509 65 P HA -0.033 nan 4.420 nan 0.000 0.219 65 P C 1.061 178.250 177.300 -0.186 0.000 1.146 65 P CA 1.164 64.229 63.100 -0.058 0.000 0.808 65 P CB 0.057 31.719 31.700 -0.064 0.000 0.779 66 Q N -2.301 117.260 119.800 -0.399 0.000 2.373 66 Q HA 0.172 4.511 4.340 -0.000 0.000 0.210 66 Q C 0.109 175.693 176.000 -0.694 0.000 0.913 66 Q CA 0.542 55.839 55.803 -0.845 0.000 0.911 66 Q CB -0.033 27.989 28.738 -1.194 0.000 1.040 66 Q HN 0.249 nan 8.270 nan 0.000 0.521 67 F N -0.118 119.766 119.950 -0.109 0.000 2.449 67 F HA 0.392 4.919 4.527 -0.000 0.000 0.342 67 F C 1.192 176.995 175.800 0.007 0.000 1.127 67 F CA -0.934 57.038 58.000 -0.046 0.000 0.975 67 F CB 1.223 40.151 39.000 -0.120 0.000 1.146 67 F HN -0.169 nan 8.300 nan 0.000 0.444 68 R N 2.068 122.700 120.500 0.219 0.000 2.105 68 R HA -0.062 4.278 4.340 -0.000 0.000 0.239 68 R C 0.007 176.360 176.300 0.088 0.000 1.135 68 R CA 1.454 57.652 56.100 0.164 0.000 0.967 68 R CB 0.207 30.593 30.300 0.143 0.000 0.861 68 R HN 0.652 nan 8.270 nan 0.000 0.442 69 K N -0.268 120.179 120.400 0.079 0.000 2.570 69 K HA 0.196 4.516 4.320 -0.000 0.000 0.256 69 K C -1.845 174.770 176.600 0.025 0.000 0.939 69 K CA -0.381 55.797 56.287 -0.181 0.000 0.833 69 K CB 1.356 33.585 32.500 -0.451 0.000 1.318 69 K HN -0.069 nan 8.250 nan 0.000 0.433 70 M N 4.218 123.740 119.600 -0.130 0.000 2.093 70 M HA 0.275 4.755 4.480 -0.000 0.000 0.297 70 M C -1.113 175.237 176.300 0.083 0.000 0.938 70 M CA -0.601 54.574 55.300 -0.208 0.000 0.920 70 M CB 1.767 33.847 32.600 -0.868 0.000 1.517 70 M HN 0.501 nan 8.290 nan 0.000 0.427 71 H N 3.576 122.754 119.070 0.181 0.000 2.505 71 H HA 0.637 5.193 4.556 -0.000 0.000 0.338 71 H C -2.002 173.549 175.328 0.372 0.000 1.057 71 H CA -0.990 55.204 56.048 0.243 0.000 1.202 71 H CB 1.650 31.530 29.762 0.195 0.000 1.466 71 H HN 0.619 nan 8.280 nan 0.000 0.499 72 L N 5.260 126.667 121.223 0.307 0.000 2.349 72 L HA 0.341 4.680 4.340 -0.000 0.000 0.278 72 L C -0.939 175.946 176.870 0.024 0.000 0.996 72 L CA -0.293 54.623 54.840 0.126 0.000 0.825 72 L CB 1.655 43.858 42.059 0.241 0.000 1.243 72 L HN 0.745 nan 8.230 nan 0.000 0.412 73 E N 5.339 125.492 120.200 -0.078 0.000 2.187 73 E HA 0.587 4.937 4.350 -0.000 0.000 0.268 73 E C -1.813 174.856 176.600 0.115 0.000 0.896 73 E CA -0.647 55.784 56.400 0.052 0.000 0.766 73 E CB 1.337 31.065 29.700 0.047 0.000 1.142 73 E HN 0.696 nan 8.360 nan 0.000 0.408 74 L N 2.926 124.233 121.223 0.140 0.000 2.362 74 L HA 0.829 5.169 4.340 -0.000 0.000 0.275 74 L C -0.626 176.313 176.870 0.115 0.000 0.998 74 L CA -0.828 54.086 54.840 0.122 0.000 0.820 74 L CB 1.943 44.074 42.059 0.120 0.000 1.270 74 L HN 0.603 nan 8.230 nan 0.000 0.415 75 A N 3.151 126.027 122.820 0.093 0.000 2.475 75 A HA 0.820 5.140 4.320 -0.000 0.000 0.301 75 A C -1.313 176.299 177.584 0.047 0.000 1.059 75 A CA -0.652 51.425 52.037 0.066 0.000 0.710 75 A CB 2.294 21.334 19.000 0.066 0.000 1.288 75 A HN 0.650 nan 8.150 nan 0.000 0.408 76 K N 1.136 121.550 120.400 0.025 0.000 2.501 76 K HA 0.625 4.945 4.320 -0.000 0.000 0.252 76 K C -1.968 174.627 176.600 -0.008 0.000 0.934 76 K CA -0.466 55.832 56.287 0.018 0.000 0.797 76 K CB 2.261 34.779 32.500 0.029 0.000 1.270 76 K HN 0.463 nan 8.250 nan 0.000 0.431 77 V N 4.193 124.100 119.914 -0.013 0.000 2.326 77 V HA 0.357 4.477 4.120 -0.000 0.000 0.281 77 V C 0.985 177.066 176.094 -0.022 0.000 1.015 77 V CA 0.078 62.358 62.300 -0.033 0.000 0.823 77 V CB 0.407 32.201 31.823 -0.049 0.000 1.009 77 V HN 1.150 nan 8.190 nan 0.000 0.436 78 G N 5.287 114.074 108.800 -0.021 0.000 2.684 78 G HA2 -0.344 3.615 3.960 -0.000 0.000 0.342 78 G HA3 -0.344 3.615 3.960 -0.000 0.000 0.342 78 G C 0.633 175.534 174.900 0.001 0.000 1.316 78 G CA 1.030 46.124 45.100 -0.011 0.000 0.994 78 G HN 0.700 nan 8.290 nan 0.000 0.541 79 N N 0.537 119.238 118.700 0.001 0.000 2.214 79 N HA 0.191 4.931 4.740 -0.000 0.000 0.214 79 N C 2.003 177.518 175.510 0.008 0.000 1.132 79 N CA 0.449 53.505 53.050 0.009 0.000 0.856 79 N CB 0.398 38.890 38.487 0.009 0.000 1.020 79 N HN 0.533 nan 8.380 nan 0.000 0.509 80 M N -0.223 119.376 119.600 -0.001 0.000 2.394 80 M HA 0.138 4.618 4.480 -0.000 0.000 0.266 80 M C -0.198 176.101 176.300 -0.002 0.000 1.098 80 M CA 0.729 56.026 55.300 -0.005 0.000 1.149 80 M CB 0.430 33.021 32.600 -0.015 0.000 1.369 80 M HN -0.038 nan 8.290 nan 0.000 0.450 81 L N 0.432 121.655 121.223 0.001 0.000 2.493 81 L HA 0.472 4.812 4.340 -0.000 0.000 0.265 81 L C -2.015 174.864 176.870 0.014 0.000 0.954 81 L CA -0.279 54.563 54.840 0.003 0.000 0.844 81 L CB 1.974 44.029 42.059 -0.006 0.000 1.302 81 L HN -0.150 nan 8.230 nan 0.000 0.405 82 D N 4.620 125.032 120.400 0.020 0.000 2.649 82 D HA 0.664 5.304 4.640 -0.000 0.000 0.249 82 D C -0.929 175.391 176.300 0.033 0.000 1.112 82 D CA 0.166 54.188 54.000 0.036 0.000 0.850 82 D CB 2.435 43.267 40.800 0.054 0.000 1.399 82 D HN 0.382 nan 8.370 nan 0.000 0.503 83 I N 2.083 122.684 120.570 0.052 0.000 2.569 83 I HA 0.361 4.531 4.170 -0.000 0.000 0.290 83 I C -0.984 175.186 176.117 0.088 0.000 1.088 83 I CA -0.835 60.505 61.300 0.067 0.000 1.047 83 I CB 2.653 40.699 38.000 0.076 0.000 1.237 83 I HN 0.079 nan 8.210 nan 0.000 0.421 84 L N 6.295 127.574 121.223 0.094 0.000 2.341 84 L HA 0.600 4.940 4.340 -0.000 0.000 0.278 84 L C -1.344 175.617 176.870 0.151 0.000 1.005 84 L CA -0.381 54.523 54.840 0.107 0.000 0.818 84 L CB 1.465 43.574 42.059 0.083 0.000 1.259 84 L HN 0.677 nan 8.230 nan 0.000 0.418 85 H N 4.238 123.325 119.070 0.029 0.000 2.667 85 H HA 0.548 5.104 4.556 -0.000 0.000 0.353 85 H C -1.697 173.617 175.328 -0.024 0.000 1.072 85 H CA -0.526 55.534 56.048 0.019 0.000 1.214 85 H CB 1.781 31.554 29.762 0.019 0.000 1.600 85 H HN 0.789 nan 8.280 nan 0.000 0.527 86 C N 6.382 125.340 119.300 -0.570 0.000 2.481 86 C HA 0.763 5.223 4.460 -0.000 0.000 0.324 86 C C -1.559 173.250 174.990 -0.302 0.000 1.170 86 C CA -0.249 58.595 59.018 -0.290 0.000 1.361 86 C CB -0.134 27.622 27.740 0.027 0.000 1.977 86 C HN 0.694 nan 8.230 nan 0.000 0.459 87 V N 7.072 126.910 119.914 -0.127 0.000 2.789 87 V HA 0.596 4.716 4.120 -0.000 0.000 0.311 87 V C -0.391 175.686 176.094 -0.028 0.000 1.073 87 V CA -0.427 61.802 62.300 -0.118 0.000 0.921 87 V CB 2.095 33.763 31.823 -0.259 0.000 1.009 87 V HN 0.910 nan 8.190 nan 0.000 0.426 88 M N 4.477 124.031 119.600 -0.078 0.000 2.181 88 M HA 0.578 5.058 4.480 -0.000 0.000 0.323 88 M C -1.587 174.655 176.300 -0.096 0.000 1.004 88 M CA -0.070 55.180 55.300 -0.083 0.000 0.941 88 M CB 1.625 34.123 32.600 -0.170 0.000 1.579 88 M HN 0.455 nan 8.290 nan 0.000 0.427 89 F N 4.063 124.128 119.950 0.191 0.000 2.361 89 F HA 0.483 5.010 4.527 -0.000 0.000 0.364 89 F C -2.152 173.841 175.800 0.322 0.000 1.117 89 F CA -2.206 55.918 58.000 0.207 0.000 1.071 89 F CB 0.714 39.786 39.000 0.121 0.000 1.188 89 F HN 0.281 nan 8.300 nan 0.000 0.464 90 P HA 0.155 nan 4.420 nan 0.000 0.272 90 P C -0.423 176.982 177.300 0.174 0.000 1.223 90 P CA -0.520 62.702 63.100 0.204 0.000 0.784 90 P CB 0.607 32.363 31.700 0.094 0.000 0.923 91 R N 3.699 124.270 120.500 0.119 0.000 2.570 91 R HA 0.048 4.388 4.340 -0.000 0.000 0.277 91 R C -1.284 175.108 176.300 0.152 0.000 1.039 91 R CA -0.935 55.265 56.100 0.166 0.000 1.065 91 R CB -0.293 30.136 30.300 0.216 0.000 0.964 91 R HN 0.449 nan 8.270 nan 0.000 0.428 92 P HA -0.092 nan 4.420 nan 0.000 0.234 92 P C -0.060 177.230 177.300 -0.017 0.000 1.167 92 P CA 0.946 64.080 63.100 0.057 0.000 0.763 92 P CB 0.322 32.054 31.700 0.054 0.000 0.835 93 E N -1.209 118.926 120.200 -0.108 0.000 2.409 93 E HA -0.077 4.273 4.350 -0.000 0.000 0.198 93 E C -0.043 176.263 176.600 -0.491 0.000 1.024 93 E CA 0.793 56.991 56.400 -0.337 0.000 0.861 93 E CB -0.580 28.804 29.700 -0.527 0.000 0.788 93 E HN 0.445 nan 8.360 nan 0.000 0.521 94 Y N -0.274 120.002 120.300 -0.041 0.000 2.377 94 Y HA 0.254 4.804 4.550 0.000 0.000 0.339 94 Y C 0.098 175.983 175.900 -0.026 0.000 1.011 94 Y CA -1.442 56.626 58.100 -0.054 0.000 1.093 94 Y CB 1.227 39.610 38.460 -0.128 0.000 1.201 94 Y HN -0.253 nan 8.280 nan 0.000 0.455 95 D N 3.973 124.459 120.400 0.143 0.000 2.608 95 D HA 0.243 4.883 4.640 -0.000 0.000 0.224 95 D C -1.180 175.168 176.300 0.080 0.000 1.123 95 D CA 0.396 54.466 54.000 0.117 0.000 1.030 95 D CB -0.540 40.344 40.800 0.141 0.000 1.093 95 D HN 0.433 nan 8.370 nan 0.000 0.497 96 L N 3.061 124.315 121.223 0.052 0.000 2.365 96 L HA 0.538 4.878 4.340 -0.000 0.000 0.273 96 L C -2.000 174.852 176.870 -0.030 0.000 1.000 96 L CA -2.027 52.831 54.840 0.030 0.000 0.819 96 L CB 2.403 44.516 42.059 0.089 0.000 1.284 96 L HN 0.073 nan 8.230 nan 0.000 0.418 97 P HA 0.147 nan 4.420 nan 0.000 0.275 97 P C -1.194 176.032 177.300 -0.124 0.000 1.266 97 P CA -0.433 62.522 63.100 -0.242 0.000 0.793 97 P CB 0.605 32.041 31.700 -0.440 0.000 1.074 98 M N 0.676 120.115 119.600 -0.268 0.000 2.080 98 M HA 0.276 4.756 4.480 -0.000 0.000 0.350 98 M C -0.194 175.939 176.300 -0.278 0.000 1.173 98 M CA -0.498 54.608 55.300 -0.324 0.000 1.052 98 M CB -0.311 31.808 32.600 -0.803 0.000 1.577 98 M HN 0.279 nan 8.290 nan 0.000 0.455 99 F N 2.312 122.074 119.950 -0.313 0.000 2.427 99 F HA 0.645 5.172 4.527 -0.000 0.000 0.352 99 F C 0.260 175.990 175.800 -0.116 0.000 1.100 99 F CA 0.120 57.968 58.000 -0.253 0.000 1.191 99 F CB 0.968 39.843 39.000 -0.208 0.000 1.128 99 F HN 0.612 nan 8.300 nan 0.000 0.533 100 G N 3.864 112.096 108.800 -0.947 0.000 2.719 100 G HA2 0.569 4.529 3.960 -0.000 0.000 0.298 100 G HA3 0.569 4.529 3.960 -0.000 0.000 0.298 100 G C -1.987 172.472 174.900 -0.734 0.000 1.411 100 G CA -0.596 44.143 45.100 -0.603 0.000 0.991 100 G HN 1.152 nan 8.290 nan 0.000 0.509 101 C N 0.172 119.203 119.300 -0.448 0.000 2.985 101 C HA 0.910 5.370 4.460 -0.000 0.000 0.314 101 C C -1.391 173.578 174.990 -0.034 0.000 1.215 101 C CA -1.151 57.760 59.018 -0.179 0.000 1.414 101 C CB 1.924 29.613 27.740 -0.083 0.000 1.842 101 C HN 0.672 nan 8.230 nan 0.000 0.477 102 D N 1.207 121.645 120.400 0.063 0.000 2.819 102 D HA 0.688 5.328 4.640 -0.000 0.000 0.232 102 D C -1.559 174.783 176.300 0.070 0.000 1.160 102 D CA -0.126 53.933 54.000 0.098 0.000 0.858 102 D CB 2.397 43.278 40.800 0.135 0.000 1.610 102 D HN 0.513 nan 8.370 nan 0.000 0.481 103 L N 1.808 123.065 121.223 0.058 0.000 2.409 103 L HA 0.448 4.788 4.340 -0.000 0.000 0.272 103 L C -1.076 175.793 176.870 -0.002 0.000 0.980 103 L CA -0.754 54.077 54.840 -0.014 0.000 0.826 103 L CB 2.043 44.100 42.059 -0.004 0.000 1.268 103 L HN 0.155 nan 8.230 nan 0.000 0.407 104 V N 3.351 123.243 119.914 -0.037 0.000 2.588 104 V HA 1.001 5.121 4.120 -0.000 0.000 0.304 104 V C 0.237 176.287 176.094 -0.073 0.000 1.042 104 V CA -0.074 62.213 62.300 -0.020 0.000 0.877 104 V CB 1.252 33.084 31.823 0.016 0.000 0.996 104 V HN 0.883 nan 8.190 nan 0.000 0.425 105 G N 1.957 110.719 108.800 -0.064 0.000 2.753 105 G HA2 0.889 4.849 3.960 -0.000 0.000 0.303 105 G HA3 0.889 4.849 3.960 -0.000 0.000 0.303 105 G C -0.405 174.473 174.900 -0.036 0.000 1.242 105 G CA -0.204 44.840 45.100 -0.094 0.000 0.810 105 G HN 1.488 nan 8.290 nan 0.000 0.515 106 G N -1.452 107.337 108.800 -0.018 0.000 2.343 106 G HA2 0.518 4.478 3.960 -0.000 0.000 0.298 106 G HA3 0.518 4.478 3.960 -0.000 0.000 0.298 106 G C -0.104 174.819 174.900 0.039 0.000 1.644 106 G CA 0.098 45.210 45.100 0.020 0.000 0.958 106 G HN 1.512 nan 8.290 nan 0.000 0.702 107 R N -0.188 120.343 120.500 0.052 0.000 3.422 107 R HA -0.153 4.187 4.340 -0.000 0.000 0.267 107 R C 1.366 177.709 176.300 0.073 0.000 1.074 107 R CA 1.461 57.590 56.100 0.047 0.000 0.718 107 R CB -1.794 28.520 30.300 0.024 0.000 1.157 107 R HN 2.742 nan 8.270 nan 0.000 0.440 108 G N -0.754 108.130 108.800 0.139 0.000 2.179 108 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.257 108 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.257 108 G C -0.049 174.988 174.900 0.228 0.000 1.010 108 G CA 0.731 45.941 45.100 0.184 0.000 0.736 108 G HN 0.425 nan 8.290 nan 0.000 0.513 109 Q N -1.240 118.650 119.800 0.149 0.000 2.456 109 Q HA 0.682 5.022 4.340 -0.000 0.000 0.283 109 Q C -0.619 175.276 176.000 -0.175 0.000 1.084 109 Q CA -0.730 55.085 55.803 0.020 0.000 0.801 109 Q CB 2.258 30.997 28.738 0.001 0.000 1.434 109 Q HN 0.309 nan 8.270 nan 0.000 0.419 110 I N 1.139 121.568 120.570 -0.234 0.000 2.382 110 I HA 0.115 4.285 4.170 -0.000 0.000 0.286 110 I C 1.117 177.125 176.117 -0.182 0.000 1.002 110 I CA 0.055 61.186 61.300 -0.281 0.000 1.135 110 I CB 1.674 39.446 38.000 -0.381 0.000 1.288 110 I HN 0.669 nan 8.210 nan 0.000 0.448 111 S N 4.309 119.925 115.700 -0.140 0.000 2.446 111 S HA 0.364 4.834 4.470 -0.000 0.000 0.225 111 S C 0.693 175.217 174.600 -0.126 0.000 1.016 111 S CA 0.141 58.275 58.200 -0.110 0.000 0.943 111 S CB 0.324 63.483 63.200 -0.067 0.000 0.786 111 S HN 0.643 nan 8.310 nan 0.000 0.508 112 A N 0.322 123.068 122.820 -0.123 0.000 2.465 112 A HA 0.817 5.137 4.320 -0.000 0.000 0.292 112 A C -0.881 176.618 177.584 -0.141 0.000 1.041 112 A CA -0.244 51.749 52.037 -0.073 0.000 0.718 112 A CB 1.337 20.396 19.000 0.098 0.000 1.266 112 A HN 0.954 nan 8.150 nan 0.000 0.403 113 A N 2.338 125.021 122.820 -0.228 0.000 2.353 113 A HA 0.763 5.083 4.320 -0.000 0.000 0.299 113 A C -0.936 176.539 177.584 -0.182 0.000 1.089 113 A CA -0.260 51.481 52.037 -0.493 0.000 0.736 113 A CB 0.643 18.846 19.000 -1.330 0.000 1.195 113 A HN 1.577 nan 8.150 nan 0.000 0.447 114 I N 1.812 122.398 120.570 0.028 0.000 2.608 114 I HA 0.845 5.015 4.170 -0.000 0.000 0.295 114 I C -0.381 175.855 176.117 0.197 0.000 1.049 114 I CA -0.631 60.716 61.300 0.078 0.000 1.063 114 I CB 2.003 39.824 38.000 -0.298 0.000 1.248 114 I HN 0.867 nan 8.210 nan 0.000 0.424 115 A N 4.868 127.775 122.820 0.146 0.000 2.520 115 A HA 0.742 5.062 4.320 -0.000 0.000 0.298 115 A C -1.787 175.875 177.584 0.129 0.000 1.051 115 A CA -0.400 51.675 52.037 0.064 0.000 0.690 115 A CB 1.723 20.727 19.000 0.006 0.000 1.281 115 A HN 0.695 nan 8.150 nan 0.000 0.402 116 D N 0.311 120.694 120.400 -0.027 0.000 2.623 116 D HA 0.524 5.164 4.640 -0.000 0.000 0.241 116 D C -1.603 174.566 176.300 -0.218 0.000 1.241 116 D CA -0.294 53.680 54.000 -0.044 0.000 0.788 116 D CB 1.423 42.265 40.800 0.071 0.000 1.413 116 D HN 0.371 nan 8.370 nan 0.000 0.429 117 L N 2.229 123.281 121.223 -0.286 0.000 2.335 117 L HA 0.441 4.781 4.340 -0.000 0.000 0.268 117 L C -0.365 176.397 176.870 -0.180 0.000 1.037 117 L CA -0.479 54.190 54.840 -0.285 0.000 0.895 117 L CB 1.211 43.044 42.059 -0.377 0.000 1.266 117 L HN 0.214 nan 8.230 nan 0.000 0.439 118 S N 4.332 119.946 115.700 -0.143 0.000 2.545 118 S HA 0.358 4.828 4.470 -0.000 0.000 0.275 118 S C -2.232 172.267 174.600 -0.167 0.000 1.299 118 S CA -1.055 57.104 58.200 -0.070 0.000 1.048 118 S CB 0.830 64.052 63.200 0.036 0.000 0.938 118 S HN 0.330 nan 8.310 nan 0.000 0.496 119 P HA 0.097 nan 4.420 nan 0.000 0.271 119 P C 0.687 177.905 177.300 -0.137 0.000 1.218 119 P CA -0.378 62.617 63.100 -0.175 0.000 0.780 119 P CB 0.679 32.312 31.700 -0.111 0.000 0.901 120 V N -1.316 118.498 119.914 -0.166 0.000 3.621 120 V HA 0.190 4.310 4.120 -0.000 0.000 0.285 120 V C 0.756 176.910 176.094 0.100 0.000 1.346 120 V CA 0.069 62.352 62.300 -0.028 0.000 1.104 120 V CB -1.807 30.012 31.823 -0.008 0.000 0.913 120 V HN 0.428 nan 8.190 nan 0.000 0.432 121 H N 0.379 119.441 119.070 -0.012 0.000 2.610 121 H HA 0.418 4.974 4.556 0.000 0.000 0.336 121 H C 0.761 176.092 175.328 0.004 0.000 1.087 121 H CA -0.416 55.631 56.048 -0.002 0.000 1.405 121 H CB 1.957 31.717 29.762 -0.003 0.000 1.460 121 H HN 0.145 nan 8.280 nan 0.000 0.538 122 L N 1.563 122.863 121.223 0.129 0.000 2.240 122 L HA -0.130 4.210 4.340 -0.000 0.000 0.211 122 L C 1.854 178.761 176.870 0.061 0.000 1.106 122 L CA 0.645 55.530 54.840 0.074 0.000 0.793 122 L CB -0.270 41.817 42.059 0.048 0.000 0.927 122 L HN 0.733 nan 8.230 nan 0.000 0.446 123 D N 0.361 120.802 120.400 0.067 0.000 2.403 123 D HA -0.221 4.419 4.640 -0.000 0.000 0.227 123 D C 0.737 177.074 176.300 0.062 0.000 0.995 123 D CA 0.278 54.310 54.000 0.055 0.000 0.928 123 D CB -0.244 40.583 40.800 0.045 0.000 0.887 123 D HN 0.236 nan 8.370 nan 0.000 0.529 124 R N -1.087 119.459 120.500 0.076 0.000 3.762 124 R HA -0.119 4.221 4.340 -0.000 0.000 0.328 124 R C -0.338 175.987 176.300 0.042 0.000 1.164 124 R CA 1.054 57.180 56.100 0.044 0.000 0.861 124 R CB -2.875 27.437 30.300 0.020 0.000 1.408 124 R HN 0.574 nan 8.270 nan 0.000 0.502 125 T N -1.915 112.695 114.554 0.093 0.000 2.943 125 T HA 0.754 5.104 4.350 -0.000 0.000 0.284 125 T C 0.561 175.217 174.700 -0.072 0.000 1.015 125 T CA -1.039 61.118 62.100 0.095 0.000 1.042 125 T CB 2.150 71.147 68.868 0.215 0.000 1.055 125 T HN 0.125 nan 8.240 nan 0.000 0.500 126 L N 1.464 122.661 121.223 -0.045 0.000 2.334 126 L HA 0.524 4.864 4.340 -0.000 0.000 0.272 126 L C -2.244 174.600 176.870 -0.043 0.000 1.020 126 L CA -2.775 51.952 54.840 -0.190 0.000 0.812 126 L CB 1.449 43.461 42.059 -0.079 0.000 1.264 126 L HN 0.454 nan 8.230 nan 0.000 0.439 127 P HA 0.010 nan 4.420 nan 0.000 0.269 127 P C 0.256 177.672 177.300 0.193 0.000 1.217 127 P CA -0.215 62.979 63.100 0.156 0.000 0.783 127 P CB 0.630 32.442 31.700 0.186 0.000 0.898 128 E N 0.865 121.166 120.200 0.167 0.000 2.070 128 E HA -0.184 4.166 4.350 -0.000 0.000 0.197 128 E C 1.943 178.612 176.600 0.114 0.000 1.004 128 E CA 2.197 58.674 56.400 0.128 0.000 0.805 128 E CB -1.000 28.758 29.700 0.096 0.000 0.744 128 E HN 0.572 nan 8.360 nan 0.000 0.451 129 S N -0.287 115.482 115.700 0.115 0.000 2.400 129 S HA -0.194 4.276 4.470 -0.000 0.000 0.232 129 S C 2.130 176.720 174.600 -0.017 0.000 1.025 129 S CA 1.105 59.325 58.200 0.033 0.000 0.993 129 S CB -0.680 62.516 63.200 -0.006 0.000 0.808 129 S HN 0.234 nan 8.310 nan 0.000 0.478 130 Y N 2.759 123.038 120.300 -0.035 0.000 2.163 130 Y HA 0.023 4.573 4.550 0.000 0.000 0.288 130 Y C 2.726 178.522 175.900 -0.174 0.000 1.136 130 Y CA 1.127 59.165 58.100 -0.104 0.000 1.147 130 Y CB -0.658 37.738 38.460 -0.107 0.000 0.987 130 Y HN 0.243 nan 8.280 nan 0.000 0.509 131 N N -0.217 118.532 118.700 0.081 0.000 2.069 131 N HA -0.172 4.568 4.740 -0.000 0.000 0.191 131 N C 1.903 177.422 175.510 0.015 0.000 1.031 131 N CA 1.813 54.897 53.050 0.057 0.000 0.852 131 N CB -0.638 37.946 38.487 0.161 0.000 1.018 131 N HN 0.268 nan 8.380 nan 0.000 0.423 132 S N 1.073 116.785 115.700 0.020 0.000 2.356 132 S HA -0.054 4.416 4.470 -0.000 0.000 0.223 132 S C 2.173 176.757 174.600 -0.027 0.000 1.032 132 S CA 1.182 59.388 58.200 0.010 0.000 1.005 132 S CB -0.374 62.830 63.200 0.008 0.000 0.867 132 S HN 0.510 nan 8.310 nan 0.000 0.449 133 A N 1.463 124.239 122.820 -0.072 0.000 1.898 133 A HA 0.110 4.430 4.320 -0.000 0.000 0.216 133 A C 2.110 179.635 177.584 -0.099 0.000 1.181 133 A CA 0.994 52.978 52.037 -0.088 0.000 0.620 133 A CB -0.661 18.257 19.000 -0.136 0.000 0.819 133 A HN 0.451 nan 8.150 nan 0.000 0.442 134 L N 0.005 121.102 121.223 -0.209 0.000 2.313 134 L HA -0.075 4.265 4.340 -0.000 0.000 0.214 134 L C 2.635 179.442 176.870 -0.106 0.000 1.119 134 L CA 1.471 56.124 54.840 -0.311 0.000 0.809 134 L CB -0.564 40.905 42.059 -0.984 0.000 0.933 134 L HN 0.611 nan 8.230 nan 0.000 0.449 135 T N -5.353 109.198 114.554 -0.004 0.000 3.113 135 T HA 0.002 4.352 4.350 -0.000 0.000 0.256 135 T C 1.609 176.361 174.700 0.087 0.000 1.131 135 T CA 0.627 62.806 62.100 0.133 0.000 1.074 135 T CB -0.001 68.967 68.868 0.167 0.000 0.944 135 T HN 0.104 nan 8.240 nan 0.000 0.516 136 S N 0.837 116.564 115.700 0.045 0.000 2.593 136 S HA 0.380 4.850 4.470 -0.000 0.000 0.217 136 S C 0.354 174.977 174.600 0.037 0.000 0.966 136 S CA -0.239 57.981 58.200 0.034 0.000 0.914 136 S CB -0.254 62.955 63.200 0.014 0.000 0.776 136 S HN 0.503 nan 8.310 nan 0.000 0.523 137 L N 2.649 123.906 121.223 0.056 0.000 2.265 137 L HA 0.377 4.717 4.340 -0.000 0.000 0.289 137 L C -0.106 176.806 176.870 0.069 0.000 1.033 137 L CA -0.774 54.100 54.840 0.057 0.000 0.814 137 L CB 0.598 42.705 42.059 0.079 0.000 1.203 137 L HN 0.017 nan 8.230 nan 0.000 0.423 138 N N 1.501 120.225 118.700 0.040 0.000 2.395 138 N HA 0.011 4.751 4.740 -0.000 0.000 0.246 138 N C -0.087 175.449 175.510 0.044 0.000 1.246 138 N CA 0.248 53.319 53.050 0.035 0.000 0.879 138 N CB 0.691 39.183 38.487 0.008 0.000 1.098 138 N HN 0.483 nan 8.380 nan 0.000 0.444 139 T N 2.665 117.248 114.554 0.049 0.000 2.916 139 T HA 0.177 4.527 4.350 -0.000 0.000 0.303 139 T C 0.767 175.462 174.700 -0.009 0.000 1.025 139 T CA -0.134 62.000 62.100 0.057 0.000 1.142 139 T CB 0.208 69.111 68.868 0.058 0.000 0.947 139 T HN 0.158 nan 8.240 nan 0.000 0.544 140 L N 2.978 124.179 121.223 -0.038 0.000 2.399 140 L HA 0.375 4.714 4.340 -0.000 0.000 0.265 140 L C 1.374 178.048 176.870 -0.327 0.000 1.089 140 L CA -0.695 53.992 54.840 -0.254 0.000 0.802 140 L CB 0.504 42.279 42.059 -0.472 0.000 1.180 140 L HN 0.669 nan 8.230 nan 0.000 0.454 141 N N 1.707 120.167 118.700 -0.401 0.000 2.895 141 N HA 0.129 4.869 4.740 -0.000 0.000 0.277 141 N C -1.224 174.076 175.510 -0.350 0.000 1.185 141 N CA -0.328 52.557 53.050 -0.274 0.000 1.106 141 N CB 0.024 38.406 38.487 -0.175 0.000 1.422 141 N HN 0.343 nan 8.380 nan 0.000 0.521 142 F N 1.344 121.300 119.950 0.009 0.000 2.350 142 F HA 0.114 4.641 4.527 -0.000 0.000 0.365 142 F C 1.859 177.648 175.800 -0.018 0.000 1.122 142 F CA -0.831 57.169 58.000 -0.001 0.000 1.139 142 F CB 1.366 40.371 39.000 0.007 0.000 1.220 142 F HN 0.386 nan 8.300 nan 0.000 0.499 143 S N 1.631 117.419 115.700 0.146 0.000 2.555 143 S HA -0.125 4.345 4.470 -0.000 0.000 0.230 143 S C 0.670 175.295 174.600 0.043 0.000 0.978 143 S CA 0.396 58.635 58.200 0.065 0.000 0.934 143 S CB -0.143 63.078 63.200 0.034 0.000 0.766 143 S HN 0.732 nan 8.310 nan 0.000 0.533 144 Q N 1.625 121.454 119.800 0.049 0.000 3.394 144 Q HA 0.386 4.726 4.340 -0.000 0.000 0.285 144 Q C -2.910 173.033 176.000 -0.095 0.000 0.866 144 Q CA -1.886 53.898 55.803 -0.031 0.000 0.844 144 Q CB 1.531 30.237 28.738 -0.054 0.000 1.472 144 Q HN 0.266 nan 8.270 nan 0.000 0.401 145 P HA 0.189 nan 4.420 nan 0.000 0.274 145 P C -0.739 176.406 177.300 -0.258 0.000 1.246 145 P CA -0.230 62.781 63.100 -0.148 0.000 0.795 145 P CB 1.129 32.797 31.700 -0.052 0.000 1.006 146 R N -0.149 120.102 120.500 -0.416 0.000 2.807 146 R HA 0.384 4.724 4.340 -0.000 0.000 0.276 146 R C -0.165 175.961 176.300 -0.290 0.000 0.979 146 R CA -0.811 54.952 56.100 -0.561 0.000 0.928 146 R CB 1.833 31.337 30.300 -1.325 0.000 1.191 146 R HN 0.491 nan 8.270 nan 0.000 0.471 147 E N 1.953 122.072 120.200 -0.135 0.000 2.259 147 E HA 0.176 4.526 4.350 -0.000 0.000 0.281 147 E C -0.594 176.106 176.600 0.166 0.000 1.027 147 E CA -0.469 55.941 56.400 0.017 0.000 0.838 147 E CB 0.851 30.549 29.700 -0.004 0.000 1.066 147 E HN 0.304 nan 8.360 nan 0.000 0.401 148 L N 6.669 127.977 121.223 0.141 0.000 2.455 148 L HA 0.169 4.509 4.340 -0.000 0.000 0.272 148 L C -1.620 175.225 176.870 -0.043 0.000 1.174 148 L CA -1.478 53.377 54.840 0.025 0.000 0.869 148 L CB -0.167 41.853 42.059 -0.065 0.000 1.130 148 L HN 0.480 nan 8.230 nan 0.000 0.474 149 P HA 0.021 nan 4.420 nan 0.000 0.271 149 P C 0.121 177.306 177.300 -0.192 0.000 1.244 149 P CA -0.276 62.746 63.100 -0.129 0.000 0.793 149 P CB 0.774 32.388 31.700 -0.143 0.000 0.984 150 E N -0.063 120.115 120.200 -0.037 0.000 2.150 150 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 150 E C 1.602 178.208 176.600 0.012 0.000 0.985 150 E CA 0.918 57.318 56.400 -0.001 0.000 0.814 150 E CB -0.285 29.449 29.700 0.056 0.000 0.752 150 E HN 0.625 nan 8.360 nan 0.000 0.466 151 W N -0.084 121.213 121.300 -0.004 0.000 2.848 151 W HA 0.130 4.789 4.660 -0.001 0.000 0.241 151 W C 1.041 177.520 176.519 -0.068 0.000 1.289 151 W CA 0.561 57.877 57.345 -0.048 0.000 1.396 151 W CB -0.755 28.663 29.460 -0.071 0.000 1.138 151 W HN -0.055 nan 8.180 nan 0.000 0.677 152 G N 2.641 111.142 108.800 -0.498 0.000 2.882 152 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.206 152 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.206 152 G C 1.191 175.993 174.900 -0.163 0.000 1.155 152 G CA 0.501 45.345 45.100 -0.426 0.000 0.800 152 G HN 0.349 nan 8.290 nan 0.000 0.524 153 N N 1.358 119.973 118.700 -0.143 0.000 2.571 153 N HA -0.074 4.666 4.740 -0.000 0.000 0.189 153 N C 1.814 177.246 175.510 -0.131 0.000 1.154 153 N CA 0.627 53.627 53.050 -0.084 0.000 0.907 153 N CB -0.470 37.993 38.487 -0.039 0.000 0.977 153 N HN 0.620 nan 8.380 nan 0.000 0.449 154 I N -4.557 115.826 120.570 -0.313 0.000 3.428 154 I HA 0.262 4.432 4.170 -0.000 0.000 0.286 154 I C -0.245 175.648 176.117 -0.372 0.000 1.287 154 I CA -0.229 60.863 61.300 -0.346 0.000 1.396 154 I CB -0.358 37.362 38.000 -0.465 0.000 1.062 154 I HN -0.249 nan 8.210 nan 0.000 0.471 155 F N 1.973 121.895 119.950 -0.047 0.000 2.377 155 F HA 0.416 4.943 4.527 0.000 0.000 0.328 155 F C 1.350 177.121 175.800 -0.049 0.000 1.094 155 F CA -0.899 57.071 58.000 -0.050 0.000 1.093 155 F CB 1.187 40.118 39.000 -0.115 0.000 1.214 155 F HN 0.004 nan 8.300 nan 0.000 0.518 156 S N 0.149 115.951 115.700 0.170 0.000 2.634 156 S HA 0.096 4.566 4.470 -0.000 0.000 0.261 156 S C 0.598 175.193 174.600 -0.009 0.000 1.271 156 S CA -0.769 57.473 58.200 0.070 0.000 0.985 156 S CB 0.801 64.075 63.200 0.125 0.000 0.968 156 S HN 0.609 nan 8.310 nan 0.000 0.568 157 D N 0.101 120.387 120.400 -0.190 0.000 2.351 157 D HA 0.012 4.652 4.640 -0.000 0.000 0.216 157 D C 0.766 176.762 176.300 -0.507 0.000 0.968 157 D CA 0.991 54.756 54.000 -0.392 0.000 0.899 157 D CB -0.352 40.105 40.800 -0.572 0.000 0.907 157 D HN 0.634 nan 8.370 nan 0.000 0.514 158 F N 0.067 120.036 119.950 0.032 0.000 2.727 158 F HA 0.118 4.645 4.527 0.000 0.000 0.302 158 F C 1.397 177.281 175.800 0.141 0.000 1.097 158 F CA -0.633 57.412 58.000 0.074 0.000 1.330 158 F CB -0.064 38.927 39.000 -0.014 0.000 1.084 158 F HN -0.143 nan 8.300 nan 0.000 0.578 159 C N 2.718 122.131 119.300 0.188 0.000 2.611 159 C HA 0.235 4.695 4.460 -0.000 0.000 0.416 159 C C 0.400 175.484 174.990 0.156 0.000 1.366 159 C CA -0.565 58.534 59.018 0.135 0.000 1.761 159 C CB -1.249 26.481 27.740 -0.017 0.000 2.619 159 C HN 0.284 nan 8.230 nan 0.000 0.606 160 I N 6.478 127.159 120.570 0.185 0.000 2.406 160 I HA 0.459 4.629 4.170 -0.000 0.000 0.290 160 I C -0.545 175.664 176.117 0.153 0.000 0.999 160 I CA -0.248 61.149 61.300 0.162 0.000 1.124 160 I CB 1.401 39.506 38.000 0.174 0.000 1.289 160 I HN 0.558 nan 8.210 nan 0.000 0.441 161 F N 8.548 128.416 119.950 -0.137 0.000 2.828 161 F HA 0.608 5.135 4.527 -0.000 0.000 0.355 161 F C -0.933 174.728 175.800 -0.231 0.000 1.200 161 F CA -0.963 56.917 58.000 -0.200 0.000 1.062 161 F CB 1.119 39.983 39.000 -0.225 0.000 1.351 161 F HN 0.134 nan 8.300 nan 0.000 0.504 162 V N 3.082 122.811 119.914 -0.307 0.000 3.159 162 V HA 0.684 4.804 4.120 -0.000 0.000 0.308 162 V C -1.226 174.603 176.094 -0.441 0.000 1.190 162 V CA -1.227 60.795 62.300 -0.463 0.000 1.037 162 V CB 2.160 33.620 31.823 -0.606 0.000 1.060 162 V HN 0.736 nan 8.190 nan 0.000 0.437 163 R N 2.320 122.610 120.500 -0.350 0.000 2.239 163 R HA 0.533 4.873 4.340 -0.000 0.000 0.332 163 R C -2.746 173.447 176.300 -0.177 0.000 0.988 163 R CA -1.890 54.055 56.100 -0.258 0.000 0.859 163 R CB 1.509 31.684 30.300 -0.208 0.000 1.148 163 R HN 0.635 nan 8.270 nan 0.000 0.482 164 P HA 0.031 nan 4.420 nan 0.000 0.271 164 P C -0.018 177.270 177.300 -0.020 0.000 1.233 164 P CA 0.091 63.158 63.100 -0.055 0.000 0.764 164 P CB 1.462 33.116 31.700 -0.076 0.000 0.825 165 S N 1.193 116.908 115.700 0.024 0.000 2.456 165 S HA 0.065 4.535 4.470 -0.000 0.000 0.224 165 S C 0.840 175.455 174.600 0.025 0.000 1.035 165 S CA 0.201 58.408 58.200 0.012 0.000 0.940 165 S CB -0.336 62.872 63.200 0.014 0.000 0.799 165 S HN 0.536 nan 8.310 nan 0.000 0.508 166 S N 0.932 116.658 115.700 0.044 0.000 2.677 166 S HA 0.630 5.100 4.470 -0.000 0.000 0.304 166 S C -2.807 171.829 174.600 0.060 0.000 1.108 166 S CA -1.525 56.700 58.200 0.042 0.000 0.944 166 S CB 1.346 64.564 63.200 0.031 0.000 1.127 166 S HN -0.064 nan 8.310 nan 0.000 0.511 167 P HA 0.060 nan 4.420 nan 0.000 0.226 167 P C 0.753 178.089 177.300 0.060 0.000 1.153 167 P CA 0.770 63.908 63.100 0.064 0.000 0.777 167 P CB 0.015 31.742 31.700 0.045 0.000 0.794 168 E N 0.157 120.382 120.200 0.043 0.000 2.072 168 E HA -0.144 4.206 4.350 -0.000 0.000 0.190 168 E C 1.806 178.434 176.600 0.047 0.000 0.982 168 E CA 0.817 57.233 56.400 0.027 0.000 0.803 168 E CB -0.333 29.366 29.700 -0.003 0.000 0.755 168 E HN 0.429 nan 8.360 nan 0.000 0.453 169 E N 1.206 121.458 120.200 0.087 0.000 2.077 169 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 169 E C 1.992 178.792 176.600 0.333 0.000 0.989 169 E CA 0.855 57.383 56.400 0.214 0.000 0.800 169 E CB -0.037 29.835 29.700 0.286 0.000 0.746 169 E HN 0.309 nan 8.360 nan 0.000 0.452 170 E N 0.595 120.919 120.200 0.205 0.000 2.085 170 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 170 E C 2.010 178.747 176.600 0.229 0.000 0.994 170 E CA 1.084 57.603 56.400 0.199 0.000 0.801 170 E CB -0.102 29.684 29.700 0.143 0.000 0.743 170 E HN 0.214 nan 8.360 nan 0.000 0.453 171 A N 0.467 123.380 122.820 0.155 0.000 1.970 171 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 171 A C 2.065 179.712 177.584 0.105 0.000 1.170 171 A CA 0.866 52.967 52.037 0.107 0.000 0.645 171 A CB -0.281 18.753 19.000 0.056 0.000 0.816 171 A HN 0.120 nan 8.150 nan 0.000 0.447 172 M N -1.943 117.734 119.600 0.128 0.000 2.086 172 M HA -0.071 4.409 4.480 -0.000 0.000 0.261 172 M C 2.026 178.476 176.300 0.251 0.000 1.067 172 M CA 1.827 57.180 55.300 0.090 0.000 1.116 172 M CB -0.368 32.157 32.600 -0.126 0.000 1.348 172 M HN 0.572 nan 8.290 nan 0.000 0.407 173 F N 0.662 120.786 119.950 0.290 0.000 2.113 173 F HA -0.216 4.311 4.527 -0.000 0.000 0.297 173 F C 1.971 177.791 175.800 0.034 0.000 1.103 173 F CA 1.517 59.637 58.000 0.199 0.000 1.248 173 F CB -0.378 38.664 39.000 0.071 0.000 0.999 173 F HN 0.018 nan 8.300 nan 0.000 0.475 174 L N 0.607 121.888 121.223 0.097 0.000 2.083 174 L HA 0.029 4.369 4.340 -0.000 0.000 0.209 174 L C 2.395 179.185 176.870 -0.133 0.000 1.083 174 L CA 2.186 57.005 54.840 -0.036 0.000 0.752 174 L CB -1.426 40.678 42.059 0.075 0.000 0.899 174 L HN 0.208 nan 8.230 nan 0.000 0.433 175 G N -0.798 107.951 108.800 -0.085 0.000 2.418 175 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.217 175 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.217 175 G C 1.727 176.512 174.900 -0.191 0.000 1.158 175 G CA 0.825 45.861 45.100 -0.106 0.000 0.771 175 G HN 0.359 nan 8.290 nan 0.000 0.545 176 R N 0.380 120.715 120.500 -0.275 0.000 2.073 176 R HA 0.064 4.403 4.340 -0.000 0.000 0.229 176 R C 2.592 178.462 176.300 -0.717 0.000 1.120 176 R CA 1.255 57.077 56.100 -0.464 0.000 0.967 176 R CB -1.012 29.016 30.300 -0.452 0.000 0.862 176 R HN 0.210 nan 8.270 nan 0.000 0.436 177 V N 1.336 120.846 119.914 -0.674 0.000 2.332 177 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 177 V C 2.585 178.557 176.094 -0.205 0.000 1.055 177 V CA 2.285 64.312 62.300 -0.455 0.000 1.038 177 V CB -0.641 30.941 31.823 -0.402 0.000 0.651 177 V HN 0.409 nan 8.190 nan 0.000 0.450 178 R N 0.198 120.569 120.500 -0.214 0.000 2.091 178 R HA -0.228 4.112 4.340 -0.000 0.000 0.238 178 R C 2.255 178.483 176.300 -0.119 0.000 1.136 178 R CA 2.179 58.183 56.100 -0.160 0.000 0.959 178 R CB -0.272 29.947 30.300 -0.134 0.000 0.856 178 R HN 0.638 nan 8.270 nan 0.000 0.437 179 E N -0.253 119.878 120.200 -0.115 0.000 2.058 179 E HA -0.201 4.148 4.350 -0.000 0.000 0.194 179 E C 1.931 178.596 176.600 0.110 0.000 0.997 179 E CA 1.478 57.857 56.400 -0.034 0.000 0.801 179 E CB -0.208 29.465 29.700 -0.045 0.000 0.746 179 E HN 0.275 nan 8.360 nan 0.000 0.450 180 F N 0.813 120.736 119.950 -0.046 0.000 2.095 180 F HA -0.179 4.348 4.527 0.000 0.000 0.298 180 F C 2.214 177.990 175.800 -0.038 0.000 1.104 180 F CA 1.002 59.012 58.000 0.017 0.000 1.232 180 F CB -0.934 38.160 39.000 0.158 0.000 0.987 180 F HN 0.040 nan 8.300 nan 0.000 0.475 181 L N -0.459 120.784 121.223 0.033 0.000 2.046 181 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 181 L C 2.555 179.304 176.870 -0.200 0.000 1.077 181 L CA 1.226 55.928 54.840 -0.231 0.000 0.747 181 L CB -0.587 41.233 42.059 -0.398 0.000 0.896 181 L HN 0.207 nan 8.230 nan 0.000 0.432 182 Q N -0.865 118.813 119.800 -0.203 0.000 2.084 182 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 182 Q C 2.312 178.207 176.000 -0.175 0.000 0.978 182 Q CA 1.448 57.078 55.803 -0.288 0.000 0.844 182 Q CB -0.369 28.275 28.738 -0.157 0.000 0.898 182 Q HN 0.388 nan 8.270 nan 0.000 0.426 183 V N 0.676 120.538 119.914 -0.087 0.000 2.343 183 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 183 V C 2.206 178.202 176.094 -0.163 0.000 1.051 183 V CA 2.161 64.374 62.300 -0.145 0.000 1.036 183 V CB -0.664 31.077 31.823 -0.137 0.000 0.654 183 V HN 0.379 nan 8.190 nan 0.000 0.451 184 H N -0.493 118.513 119.070 -0.107 0.000 2.357 184 H HA -0.149 4.407 4.556 -0.000 0.000 0.301 184 H C 2.276 177.639 175.328 0.059 0.000 1.082 184 H CA 2.037 58.131 56.048 0.076 0.000 1.342 184 H CB -0.619 29.221 29.762 0.131 0.000 1.389 184 H HN 0.419 nan 8.280 nan 0.000 0.511 185 C N 0.546 119.795 119.300 -0.084 0.000 2.413 185 C HA -0.147 4.313 4.460 -0.000 0.000 0.276 185 C C 2.676 177.629 174.990 -0.061 0.000 1.248 185 C CA 1.265 60.215 59.018 -0.113 0.000 1.742 185 C CB -0.841 26.751 27.740 -0.246 0.000 2.017 185 C HN 0.674 nan 8.230 nan 0.000 0.481 186 Q N 0.457 120.209 119.800 -0.080 0.000 2.084 186 Q HA -0.054 4.286 4.340 -0.000 0.000 0.202 186 Q C 2.523 178.470 176.000 -0.088 0.000 0.978 186 Q CA 1.767 57.534 55.803 -0.060 0.000 0.844 186 Q CB -0.506 28.182 28.738 -0.083 0.000 0.898 186 Q HN 0.775 nan 8.270 nan 0.000 0.426 187 G N 0.948 109.663 108.800 -0.142 0.000 2.476 187 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.218 187 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.218 187 G C 1.507 176.399 174.900 -0.013 0.000 1.164 187 G CA 1.034 46.093 45.100 -0.068 0.000 0.768 187 G HN 0.440 nan 8.290 nan 0.000 0.560 188 A N 0.585 123.358 122.820 -0.077 0.000 1.902 188 A HA 0.068 4.388 4.320 -0.000 0.000 0.217 188 A C 2.422 179.895 177.584 -0.186 0.000 1.181 188 A CA 1.363 53.278 52.037 -0.202 0.000 0.623 188 A CB -0.361 18.515 19.000 -0.206 0.000 0.818 188 A HN 0.378 nan 8.150 nan 0.000 0.443 189 I N -0.307 120.204 120.570 -0.098 0.000 2.394 189 I HA -0.230 3.940 4.170 -0.000 0.000 0.251 189 I C 2.677 178.762 176.117 -0.054 0.000 1.136 189 I CA 1.037 62.294 61.300 -0.072 0.000 1.425 189 I CB -0.107 37.880 38.000 -0.023 0.000 1.079 189 I HN 0.340 nan 8.210 nan 0.000 0.425 190 A N 0.609 123.406 122.820 -0.037 0.000 2.169 190 A HA 0.379 4.699 4.320 -0.000 0.000 0.212 190 A C 1.340 178.934 177.584 0.016 0.000 1.153 190 A CA 0.443 52.474 52.037 -0.009 0.000 0.756 190 A CB -0.481 18.516 19.000 -0.006 0.000 0.813 190 A HN 0.288 nan 8.150 nan 0.000 0.471 191 A N 0.145 122.970 122.820 0.007 0.000 2.388 191 A HA 0.592 4.912 4.320 -0.000 0.000 0.257 191 A C 0.373 178.065 177.584 0.181 0.000 1.095 191 A CA -0.069 52.023 52.037 0.092 0.000 0.791 191 A CB 0.239 19.294 19.000 0.092 0.000 1.029 191 A HN 0.319 nan 8.150 nan 0.000 0.489 192 S N 1.966 117.780 115.700 0.190 0.000 2.648 192 S HA 0.676 5.146 4.470 -0.000 0.000 0.305 192 S C -2.709 171.927 174.600 0.061 0.000 1.094 192 S CA -1.065 57.231 58.200 0.160 0.000 0.983 192 S CB 1.194 64.435 63.200 0.068 0.000 1.101 192 S HN 0.610 nan 8.310 nan 0.000 0.514 193 P HA 0.192 nan 4.420 nan 0.000 0.269 193 P C -0.460 176.749 177.300 -0.153 0.000 1.209 193 P CA -0.453 62.458 63.100 -0.315 0.000 0.776 193 P CB 0.264 31.794 31.700 -0.283 0.000 0.876 194 V N -0.254 119.564 119.914 -0.159 0.000 3.109 194 V HA 0.626 4.746 4.120 -0.000 0.000 0.317 194 V C 0.378 176.427 176.094 -0.074 0.000 1.074 194 V CA -0.765 61.487 62.300 -0.081 0.000 1.033 194 V CB 1.044 32.836 31.823 -0.052 0.000 1.111 194 V HN 0.650 nan 8.190 nan 0.000 0.458 195 S N 1.209 116.880 115.700 -0.048 0.000 2.596 195 S HA 0.471 4.941 4.470 -0.000 0.000 0.260 195 S C 1.429 176.004 174.600 -0.041 0.000 1.336 195 S CA 0.037 58.212 58.200 -0.042 0.000 0.993 195 S CB 0.792 63.974 63.200 -0.031 0.000 0.923 195 S HN 1.823 nan 8.310 nan 0.000 0.567 196 A N 0.487 123.285 122.820 -0.035 0.000 1.917 196 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 196 A C 2.178 179.746 177.584 -0.025 0.000 1.182 196 A CA 1.932 53.950 52.037 -0.030 0.000 0.633 196 A CB -1.256 17.729 19.000 -0.025 0.000 0.819 196 A HN 0.997 nan 8.150 nan 0.000 0.448 197 E N -0.759 119.426 120.200 -0.025 0.000 2.077 197 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 197 E C 2.245 178.830 176.600 -0.024 0.000 0.989 197 E CA 1.445 57.831 56.400 -0.023 0.000 0.800 197 E CB -0.138 29.547 29.700 -0.024 0.000 0.746 197 E HN 0.766 nan 8.360 nan 0.000 0.452 198 Q N 0.503 120.287 119.800 -0.028 0.000 2.050 198 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 198 Q C 2.184 178.177 176.000 -0.011 0.000 0.980 198 Q CA 1.737 57.524 55.803 -0.026 0.000 0.840 198 Q CB -0.058 28.664 28.738 -0.027 0.000 0.898 198 Q HN 0.082 nan 8.270 nan 0.000 0.424 199 K N 0.479 120.867 120.400 -0.020 0.000 2.074 199 K HA -0.310 4.009 4.320 -0.000 0.000 0.209 199 K C 2.114 178.716 176.600 0.003 0.000 1.048 199 K CA 1.878 58.156 56.287 -0.015 0.000 0.926 199 K CB -0.064 32.416 32.500 -0.033 0.000 0.713 199 K HN 0.189 nan 8.250 nan 0.000 0.444 200 Q N 0.595 120.393 119.800 -0.002 0.000 2.030 200 Q HA -0.250 4.090 4.340 -0.000 0.000 0.204 200 Q C 2.141 178.149 176.000 0.013 0.000 0.986 200 Q CA 2.064 57.869 55.803 0.003 0.000 0.843 200 Q CB -0.021 28.713 28.738 -0.007 0.000 0.904 200 Q HN 0.398 nan 8.270 nan 0.000 0.420 201 Q N -0.014 119.792 119.800 0.009 0.000 2.077 201 Q HA -0.199 4.141 4.340 -0.000 0.000 0.206 201 Q C 2.098 178.130 176.000 0.054 0.000 0.989 201 Q CA 1.972 57.788 55.803 0.021 0.000 0.853 201 Q CB -0.175 28.561 28.738 -0.002 0.000 0.907 201 Q HN 0.490 nan 8.270 nan 0.000 0.418 202 I N -0.273 120.333 120.570 0.059 0.000 2.252 202 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 202 I C 1.970 178.137 176.117 0.084 0.000 1.102 202 I CA 0.484 61.834 61.300 0.083 0.000 1.385 202 I CB -0.124 37.919 38.000 0.072 0.000 1.064 202 I HN 0.236 nan 8.210 nan 0.000 0.414 203 L N 0.834 122.100 121.223 0.072 0.000 2.017 203 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 203 L C 2.666 179.606 176.870 0.117 0.000 1.073 203 L CA 2.174 57.068 54.840 0.091 0.000 0.745 203 L CB -1.364 40.734 42.059 0.064 0.000 0.894 203 L HN 0.211 nan 8.230 nan 0.000 0.432 204 A N -0.811 122.058 122.820 0.081 0.000 1.908 204 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 204 A C 2.382 180.039 177.584 0.123 0.000 1.181 204 A CA 1.677 53.759 52.037 0.075 0.000 0.627 204 A CB -1.332 17.685 19.000 0.028 0.000 0.818 204 A HN 0.469 nan 8.150 nan 0.000 0.445 205 G N -0.948 107.918 108.800 0.110 0.000 2.446 205 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 205 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 205 G C 1.621 176.612 174.900 0.152 0.000 1.168 205 G CA 1.005 46.175 45.100 0.116 0.000 0.771 205 G HN 0.633 nan 8.290 nan 0.000 0.551 206 Q N -0.732 119.162 119.800 0.157 0.000 2.050 206 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 206 Q C 2.346 178.502 176.000 0.261 0.000 0.980 206 Q CA 1.244 57.169 55.803 0.205 0.000 0.840 206 Q CB -0.412 28.446 28.738 0.200 0.000 0.898 206 Q HN 0.607 nan 8.270 nan 0.000 0.424 207 H N 1.304 120.456 119.070 0.138 0.000 2.319 207 H HA -0.164 4.392 4.556 0.000 0.000 0.297 207 H C 1.812 177.202 175.328 0.104 0.000 1.097 207 H CA 1.752 57.868 56.048 0.113 0.000 1.285 207 H CB -0.185 29.619 29.762 0.070 0.000 1.368 207 H HN 0.320 nan 8.280 nan 0.000 0.495 208 N N -0.455 118.434 118.700 0.315 0.000 2.069 208 N HA -0.222 4.518 4.740 -0.000 0.000 0.191 208 N C 2.113 177.696 175.510 0.122 0.000 1.031 208 N CA 1.403 54.579 53.050 0.210 0.000 0.852 208 N CB -0.408 38.164 38.487 0.141 0.000 1.018 208 N HN 0.403 nan 8.380 nan 0.000 0.423 209 Y N 1.452 121.761 120.300 0.016 0.000 2.145 209 Y HA -0.216 4.333 4.550 -0.001 0.000 0.286 209 Y C 2.726 178.585 175.900 -0.068 0.000 1.145 209 Y CA 1.801 59.874 58.100 -0.045 0.000 1.148 209 Y CB -0.580 37.872 38.460 -0.013 0.000 0.981 209 Y HN 0.182 nan 8.280 nan 0.000 0.507 210 C N -0.049 119.350 119.300 0.166 0.000 2.440 210 C HA -0.137 4.323 4.460 -0.000 0.000 0.278 210 C C 2.905 177.805 174.990 -0.151 0.000 1.295 210 C CA 1.392 60.456 59.018 0.076 0.000 1.738 210 C CB -1.334 26.538 27.740 0.220 0.000 1.987 210 C HN 0.740 nan 8.230 nan 0.000 0.492 211 S N 1.238 116.843 115.700 -0.159 0.000 2.368 211 S HA -0.131 4.339 4.470 -0.000 0.000 0.224 211 S C 1.736 176.215 174.600 -0.201 0.000 1.029 211 S CA 0.931 59.036 58.200 -0.158 0.000 0.988 211 S CB -0.288 62.868 63.200 -0.072 0.000 0.838 211 S HN 0.546 nan 8.310 nan 0.000 0.462 212 K N 1.411 121.687 120.400 -0.207 0.000 2.057 212 K HA 0.004 4.324 4.320 -0.000 0.000 0.207 212 K C 2.337 178.643 176.600 -0.489 0.000 1.049 212 K CA 1.063 57.207 56.287 -0.239 0.000 0.931 212 K CB -0.481 31.960 32.500 -0.098 0.000 0.714 212 K HN 0.426 nan 8.250 nan 0.000 0.440 213 Q N 0.989 120.393 119.800 -0.660 0.000 2.079 213 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 213 Q C 2.229 177.755 176.000 -0.790 0.000 0.974 213 Q CA 1.304 56.498 55.803 -1.016 0.000 0.840 213 Q CB -0.163 27.402 28.738 -1.955 0.000 0.898 213 Q HN 0.458 nan 8.270 nan 0.000 0.430 214 Q N 0.514 120.020 119.800 -0.491 0.000 2.061 214 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 214 Q C 2.118 177.980 176.000 -0.229 0.000 0.984 214 Q CA 1.401 57.096 55.803 -0.181 0.000 0.846 214 Q CB -0.096 28.595 28.738 -0.078 0.000 0.902 214 Q HN 0.417 nan 8.270 nan 0.000 0.421 215 Q N -0.401 119.218 119.800 -0.302 0.000 2.226 215 Q HA -0.103 4.237 4.340 -0.000 0.000 0.204 215 Q C 1.109 176.852 176.000 -0.428 0.000 0.975 215 Q CA 0.983 56.609 55.803 -0.295 0.000 0.866 215 Q CB 0.269 28.849 28.738 -0.265 0.000 0.915 215 Q HN 0.358 nan 8.270 nan 0.000 0.440 216 N N -0.681 117.600 118.700 -0.697 0.000 2.266 216 N HA -0.032 4.708 4.740 -0.000 0.000 0.217 216 N C -0.434 174.637 175.510 -0.733 0.000 1.211 216 N CA -0.001 52.436 53.050 -1.021 0.000 0.881 216 N CB 0.587 37.655 38.487 -2.365 0.000 1.153 216 N HN 0.112 nan 8.380 nan 0.000 0.489 217 D N 2.047 122.140 120.400 -0.512 0.000 2.525 217 D HA -0.020 4.620 4.640 -0.000 0.000 0.235 217 D C 0.755 177.036 176.300 -0.032 0.000 1.137 217 D CA 0.572 54.496 54.000 -0.127 0.000 0.868 217 D CB 1.063 41.924 40.800 0.102 0.000 1.180 217 D HN 0.013 nan 8.370 nan 0.000 0.465 218 K N 1.226 121.656 120.400 0.050 0.000 2.418 218 K HA -0.052 4.268 4.320 -0.000 0.000 0.195 218 K C 1.856 178.491 176.600 0.057 0.000 1.035 218 K CA 0.711 57.029 56.287 0.051 0.000 1.003 218 K CB 0.129 32.678 32.500 0.082 0.000 0.793 218 K HN 0.576 nan 8.250 nan 0.000 0.494 219 T N -0.790 113.812 114.554 0.080 0.000 2.962 219 T HA -0.160 4.190 4.350 -0.000 0.000 0.270 219 T C 1.858 176.602 174.700 0.072 0.000 1.088 219 T CA 0.677 62.821 62.100 0.074 0.000 1.127 219 T CB -0.093 68.826 68.868 0.085 0.000 0.883 219 T HN 0.164 nan 8.240 nan 0.000 0.493 220 R N 0.859 121.408 120.500 0.082 0.000 2.133 220 R HA -0.208 4.132 4.340 -0.000 0.000 0.245 220 R C 2.770 179.103 176.300 0.056 0.000 1.137 220 R CA 2.079 58.227 56.100 0.081 0.000 0.947 220 R CB -0.324 30.008 30.300 0.052 0.000 0.865 220 R HN 0.426 nan 8.270 nan 0.000 0.437 221 R N -0.408 120.110 120.500 0.030 0.000 2.081 221 R HA -0.095 4.245 4.340 -0.000 0.000 0.235 221 R C 2.234 178.531 176.300 -0.005 0.000 1.131 221 R CA 1.628 57.735 56.100 0.012 0.000 0.960 221 R CB -0.143 30.161 30.300 0.006 0.000 0.856 221 R HN 0.138 nan 8.270 nan 0.000 0.436 222 V N 1.302 121.212 119.914 -0.008 0.000 2.287 222 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 222 V C 2.278 178.331 176.094 -0.070 0.000 1.053 222 V CA 1.848 64.123 62.300 -0.042 0.000 1.027 222 V CB -0.454 31.352 31.823 -0.028 0.000 0.646 222 V HN 0.348 nan 8.190 nan 0.000 0.447 223 L N -0.548 120.670 121.223 -0.008 0.000 2.093 223 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 223 L C 2.571 179.467 176.870 0.044 0.000 1.085 223 L CA 1.503 56.365 54.840 0.038 0.000 0.755 223 L CB -0.664 41.500 42.059 0.176 0.000 0.904 223 L HN 0.384 nan 8.230 nan 0.000 0.435 224 E N 0.420 120.651 120.200 0.052 0.000 2.051 224 E HA -0.228 4.122 4.350 -0.000 0.000 0.192 224 E C 2.176 178.752 176.600 -0.039 0.000 0.991 224 E CA 1.184 57.611 56.400 0.045 0.000 0.799 224 E CB -0.004 29.720 29.700 0.040 0.000 0.748 224 E HN 0.402 nan 8.360 nan 0.000 0.449 225 K N 0.220 120.569 120.400 -0.085 0.000 2.147 225 K HA -0.094 4.225 4.320 -0.000 0.000 0.205 225 K C 2.092 178.544 176.600 -0.247 0.000 1.049 225 K CA 0.981 57.189 56.287 -0.131 0.000 0.936 225 K CB -0.033 32.400 32.500 -0.111 0.000 0.722 225 K HN 0.057 nan 8.250 nan 0.000 0.446 226 A N 0.117 122.700 122.820 -0.395 0.000 1.898 226 A HA 0.001 4.321 4.320 -0.000 0.000 0.214 226 A C 1.408 178.406 177.584 -0.976 0.000 1.183 226 A CA 1.039 52.585 52.037 -0.818 0.000 0.622 226 A CB -0.078 18.206 19.000 -1.193 0.000 0.824 226 A HN 0.274 nan 8.150 nan 0.000 0.444 227 F N -1.824 117.938 119.950 -0.313 0.000 2.856 227 F HA 0.453 4.980 4.527 -0.000 0.000 0.338 227 F C 1.000 176.712 175.800 -0.147 0.000 1.100 227 F CA 0.341 58.099 58.000 -0.403 0.000 1.150 227 F CB 0.940 39.322 39.000 -1.030 0.000 1.101 227 F HN 0.477 nan 8.300 nan 0.000 0.548 228 G N 0.567 109.412 108.800 0.075 0.000 2.662 228 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.686 228 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.686 228 G C 0.270 175.275 174.900 0.175 0.000 1.271 228 G CA -0.617 44.549 45.100 0.111 0.000 0.816 228 G HN -0.147 nan 8.290 nan 0.000 0.608 229 V N 0.413 120.403 119.914 0.126 0.000 2.343 229 V HA -0.105 4.015 4.120 -0.000 0.000 0.247 229 V C 2.562 178.744 176.094 0.148 0.000 1.051 229 V CA 2.943 65.314 62.300 0.118 0.000 1.036 229 V CB -0.583 31.284 31.823 0.072 0.000 0.654 229 V HN 0.759 nan 8.190 nan 0.000 0.451 230 D N -1.680 118.812 120.400 0.153 0.000 2.149 230 D HA -0.156 4.484 4.640 -0.000 0.000 0.201 230 D C 1.654 178.058 176.300 0.172 0.000 0.972 230 D CA 0.866 54.945 54.000 0.132 0.000 0.835 230 D CB -0.243 40.617 40.800 0.100 0.000 0.966 230 D HN 0.598 nan 8.370 nan 0.000 0.476 231 W N 1.773 123.107 121.300 0.056 0.000 2.355 231 W HA -0.190 4.470 4.660 -0.000 0.000 0.309 231 W C 2.352 178.925 176.519 0.091 0.000 1.206 231 W CA 2.251 59.629 57.345 0.056 0.000 1.284 231 W CB -0.133 29.360 29.460 0.056 0.000 1.145 231 W HN -0.038 nan 8.180 nan 0.000 0.502 232 A N -0.035 123.111 122.820 0.543 0.000 1.933 232 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 232 A C 1.748 179.455 177.584 0.205 0.000 1.175 232 A CA 2.149 54.429 52.037 0.406 0.000 0.628 232 A CB -1.005 18.175 19.000 0.299 0.000 0.814 232 A HN 0.435 nan 8.150 nan 0.000 0.444 233 E N 0.832 121.112 120.200 0.133 0.000 2.047 233 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 233 E C 1.918 178.530 176.600 0.019 0.000 0.987 233 E CA 1.651 58.092 56.400 0.069 0.000 0.799 233 E CB -0.500 29.230 29.700 0.050 0.000 0.752 233 E HN 0.624 nan 8.360 nan 0.000 0.449 234 N N -0.931 117.748 118.700 -0.036 0.000 2.149 234 N HA -0.223 4.517 4.740 -0.000 0.000 0.188 234 N C 1.831 177.240 175.510 -0.169 0.000 1.019 234 N CA 1.348 54.322 53.050 -0.125 0.000 0.857 234 N CB -0.257 38.105 38.487 -0.208 0.000 0.997 234 N HN 0.328 nan 8.380 nan 0.000 0.426 235 Y N 0.996 121.093 120.300 -0.338 0.000 2.220 235 Y HA -0.031 4.519 4.550 -0.000 0.000 0.291 235 Y C 2.553 178.373 175.900 -0.134 0.000 1.129 235 Y CA 1.275 59.173 58.100 -0.336 0.000 1.161 235 Y CB -0.102 38.121 38.460 -0.396 0.000 0.997 235 Y HN 0.006 nan 8.280 nan 0.000 0.522 236 M N -0.369 119.311 119.600 0.134 0.000 2.108 236 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 236 M C 2.099 178.430 176.300 0.052 0.000 1.066 236 M CA 2.259 57.637 55.300 0.130 0.000 1.107 236 M CB -1.649 31.049 32.600 0.162 0.000 1.356 236 M HN 0.472 nan 8.290 nan 0.000 0.406 237 T N -4.083 110.465 114.554 -0.010 0.000 3.057 237 T HA 0.037 4.387 4.350 -0.000 0.000 0.254 237 T C 1.541 176.189 174.700 -0.088 0.000 1.094 237 T CA 1.170 63.255 62.100 -0.024 0.000 1.088 237 T CB -0.389 68.462 68.868 -0.028 0.000 0.934 237 T HN 0.459 nan 8.240 nan 0.000 0.497 238 T N -1.627 112.833 114.554 -0.156 0.000 2.959 238 T HA 0.355 4.705 4.350 -0.000 0.000 0.254 238 T C 1.539 176.073 174.700 -0.276 0.000 1.003 238 T CA 0.120 62.105 62.100 -0.191 0.000 0.950 238 T CB 0.125 68.887 68.868 -0.176 0.000 1.090 238 T HN 0.180 nan 8.240 nan 0.000 0.503 239 V N 0.498 120.164 119.914 -0.413 0.000 2.854 239 V HA 0.383 4.503 4.120 -0.000 0.000 0.236 239 V C 2.401 178.220 176.094 -0.458 0.000 1.157 239 V CA 0.290 62.257 62.300 -0.555 0.000 1.187 239 V CB -0.154 31.076 31.823 -0.988 0.000 0.949 239 V HN 0.297 nan 8.190 nan 0.000 0.488 240 L N -1.158 119.812 121.223 -0.421 0.000 2.084 240 L HA 0.107 4.447 4.340 -0.000 0.000 0.202 240 L C 0.757 177.332 176.870 -0.493 0.000 1.074 240 L CA 1.675 56.247 54.840 -0.447 0.000 0.757 240 L CB 0.012 41.708 42.059 -0.605 0.000 0.918 240 L HN 0.318 nan 8.230 nan 0.000 0.444 241 F N 0.157 120.180 119.950 0.122 0.000 2.577 241 F HA 0.163 4.690 4.527 0.000 0.000 0.342 241 F C -0.156 175.638 175.800 -0.010 0.000 1.479 241 F CA -1.802 56.314 58.000 0.195 0.000 1.110 241 F CB -0.023 39.078 39.000 0.169 0.000 1.306 241 F HN 0.019 nan 8.300 nan 0.000 0.554 242 D N 1.125 121.473 120.400 -0.086 0.000 2.424 242 D HA 0.096 4.736 4.640 -0.000 0.000 0.244 242 D C 0.346 176.568 176.300 -0.130 0.000 1.134 242 D CA -0.083 53.830 54.000 -0.144 0.000 0.881 242 D CB 1.416 42.085 40.800 -0.218 0.000 1.191 242 D HN 0.239 nan 8.370 nan 0.000 0.445 243 L N 2.312 123.488 121.223 -0.079 0.000 2.467 243 L HA 0.069 4.409 4.340 -0.000 0.000 0.270 243 L C -0.604 176.249 176.870 -0.029 0.000 1.205 243 L CA -1.345 53.459 54.840 -0.060 0.000 0.828 243 L CB 0.160 42.172 42.059 -0.079 0.000 1.101 243 L HN 0.381 nan 8.230 nan 0.000 0.479 244 P HA -0.028 nan 4.420 nan 0.000 0.223 244 P C 0.251 177.578 177.300 0.044 0.000 1.151 244 P CA 1.070 64.203 63.100 0.054 0.000 0.787 244 P CB 0.511 32.279 31.700 0.113 0.000 0.788 245 E N 0.000 120.228 120.200 0.046 0.000 2.725 245 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 245 E CA 0.000 56.420 56.400 0.034 0.000 0.976 245 E CB 0.000 29.723 29.700 0.039 0.000 0.812 245 E HN 0.000 nan 8.360 nan 0.000 0.440