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 3cwv_1_A DATA FIRST_RESID 8 DATA SEQUENCE GGIVENVRKR PGMYCGDVGE YGLHHLVYFL LDVAYEEARR GECRDVVLEV DATA SEQUENCE GGDGSIALFC TSRTVTAENL VRVATGAGFL GRPPGDGWGW DSMLVVSLAL DATA SEQUENCE SSRYQVDIWA DGRQWRVMGE HGHPQGEGAA VTPMEPMPVS AERGVRVHFV DATA SEQUENCE PDATIFEVLA FDRARLSRRC NELAALAPGL RVSFADLQRG ERTLWHLPGG DATA SEQUENCE VAQWAHVLTE ARPQLHPEPV VFDFTWDGLR VQCALQWCED EDSTLLSFAN DATA SEQUENCE AVRTVRHGAH VKGVTQALRG ALAKLSGETR GAFPWARVAQ GLTAIVAVSG DATA SEQUENCE PRRQMAFAGP TKELLAIPGL EEAIRKQLQP LFIELLREHP VTPALLARR 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 8 G HA3 0.000 3.895 3.960 -0.109 0.000 0.244 8 G C 0.000 174.955 174.900 0.092 0.000 0.946 8 G CA 0.000 45.211 45.100 0.185 0.000 0.502 9 G N 1.759 110.596 108.800 0.062 0.000 2.675 9 G HA2 -0.369 3.526 3.960 -0.109 0.000 0.312 9 G HA3 -0.369 3.526 3.960 -0.109 0.000 0.312 9 G C 1.493 176.408 174.900 0.025 0.000 1.186 9 G CA 0.877 46.002 45.100 0.043 0.000 0.965 9 G HN 1.108 nan 8.290 nan 0.000 0.548 10 I N 0.919 121.485 120.570 -0.007 0.000 2.202 10 I HA -0.126 3.978 4.170 -0.109 0.000 0.242 10 I C 2.959 178.974 176.117 -0.169 0.000 1.091 10 I CA 1.518 62.774 61.300 -0.073 0.000 1.368 10 I CB -0.620 37.320 38.000 -0.100 0.000 1.058 10 I HN 0.295 nan 8.210 nan 0.000 0.410 11 V N 0.646 120.459 119.914 -0.168 0.000 2.343 11 V HA -0.240 3.814 4.120 -0.109 0.000 0.247 11 V C 2.483 178.484 176.094 -0.156 0.000 1.051 11 V CA 1.715 63.862 62.300 -0.255 0.000 1.036 11 V CB -0.589 30.968 31.823 -0.443 0.000 0.654 11 V HN 0.391 nan 8.190 nan 0.000 0.451 12 E N 0.117 120.303 120.200 -0.023 0.000 2.152 12 E HA -0.129 4.156 4.350 -0.109 0.000 0.192 12 E C 2.095 178.706 176.600 0.018 0.000 0.983 12 E CA 0.748 57.172 56.400 0.042 0.000 0.818 12 E CB -0.438 29.325 29.700 0.106 0.000 0.758 12 E HN 0.570 nan 8.360 nan 0.000 0.467 13 N N 0.468 119.172 118.700 0.006 0.000 2.120 13 N HA -0.123 4.552 4.740 -0.109 0.000 0.188 13 N C 1.987 177.520 175.510 0.038 0.000 1.024 13 N CA 0.884 53.961 53.050 0.044 0.000 0.852 13 N CB -0.451 38.077 38.487 0.068 0.000 1.003 13 N HN -0.001 nan 8.380 nan 0.000 0.424 14 V N 1.283 121.103 119.914 -0.157 0.000 2.307 14 V HA -0.153 3.901 4.120 -0.109 0.000 0.245 14 V C 2.205 178.282 176.094 -0.028 0.000 1.045 14 V CA 1.455 63.595 62.300 -0.267 0.000 1.024 14 V CB -0.360 31.151 31.823 -0.520 0.000 0.651 14 V HN 0.280 nan 8.190 nan 0.000 0.449 15 R N -0.139 120.337 120.500 -0.040 0.000 2.148 15 R HA -0.128 4.147 4.340 -0.109 0.000 0.227 15 R C 2.383 178.696 176.300 0.022 0.000 1.103 15 R CA 1.016 57.115 56.100 -0.002 0.000 0.983 15 R CB -0.242 30.061 30.300 0.005 0.000 0.874 15 R HN 0.443 nan 8.270 nan 0.000 0.451 16 K N 0.901 121.327 120.400 0.043 0.000 2.103 16 K HA -0.052 4.203 4.320 -0.109 0.000 0.204 16 K C 0.377 177.012 176.600 0.058 0.000 1.052 16 K CA 0.977 57.293 56.287 0.048 0.000 0.945 16 K CB 0.363 32.897 32.500 0.056 0.000 0.722 16 K HN 0.043 nan 8.250 nan 0.000 0.443 17 R N 0.137 120.702 120.500 0.109 0.000 2.653 17 R HA 0.178 4.452 4.340 -0.109 0.000 0.269 17 R C -2.389 174.012 176.300 0.169 0.000 1.603 17 R CA -1.357 54.806 56.100 0.106 0.000 1.671 17 R CB 1.247 31.604 30.300 0.095 0.000 1.300 17 R HN 0.053 nan 8.270 nan 0.000 0.668 18 P HA -0.161 nan 4.420 nan 0.000 0.215 18 P C 1.511 178.912 177.300 0.169 0.000 1.153 18 P CA 1.426 64.604 63.100 0.130 0.000 0.853 18 P CB 0.221 31.884 31.700 -0.062 0.000 0.788 19 G N -0.829 108.018 108.800 0.079 0.000 2.498 19 G HA2 -0.206 3.689 3.960 -0.109 0.000 0.219 19 G HA3 -0.206 3.689 3.960 -0.109 0.000 0.219 19 G C 1.376 176.315 174.900 0.066 0.000 1.119 19 G CA 0.433 45.582 45.100 0.083 0.000 0.766 19 G HN 0.226 nan 8.290 nan 0.000 0.552 20 M N -1.036 118.570 119.600 0.010 0.000 2.476 20 M HA 0.100 4.514 4.480 -0.109 0.000 0.262 20 M C 1.666 177.802 176.300 -0.274 0.000 1.079 20 M CA 1.010 56.205 55.300 -0.174 0.000 1.104 20 M CB -0.041 32.367 32.600 -0.319 0.000 1.409 20 M HN 0.376 nan 8.290 nan 0.000 0.467 21 Y N -1.063 119.322 120.300 0.142 0.000 2.607 21 Y HA -0.003 4.481 4.550 -0.109 0.000 0.276 21 Y C 2.324 178.424 175.900 0.333 0.000 1.117 21 Y CA 0.206 58.424 58.100 0.195 0.000 1.273 21 Y CB 0.256 38.821 38.460 0.175 0.000 1.282 21 Y HN 0.393 nan 8.280 nan 0.000 0.514 22 C N -1.722 117.872 119.300 0.490 0.000 3.000 22 C HA 0.827 5.222 4.460 -0.109 0.000 0.286 22 C C 1.746 176.936 174.990 0.333 0.000 1.343 22 C CA -0.074 59.259 59.018 0.524 0.000 1.742 22 C CB -0.129 27.920 27.740 0.516 0.000 2.200 22 C HN 0.768 nan 8.230 nan 0.000 0.621 23 G N 1.877 110.844 108.800 0.279 0.000 2.659 23 G HA2 -0.109 3.786 3.960 -0.109 0.000 0.212 23 G HA3 -0.109 3.786 3.960 -0.109 0.000 0.212 23 G C -0.371 174.597 174.900 0.114 0.000 1.226 23 G CA 1.004 46.241 45.100 0.229 0.000 0.739 23 G HN 0.985 nan 8.290 nan 0.000 0.528 24 D N -2.172 118.348 120.400 0.199 0.000 2.779 24 D HA 0.502 5.077 4.640 -0.109 0.000 0.331 24 D C 0.358 176.772 176.300 0.190 0.000 1.331 24 D CA 0.447 54.523 54.000 0.127 0.000 0.866 24 D CB 0.785 41.625 40.800 0.066 0.000 1.409 24 D HN 1.210 nan 8.370 nan 0.000 0.486 25 V N -2.340 117.638 119.914 0.107 0.000 3.043 25 V HA 0.737 4.792 4.120 -0.109 0.000 0.357 25 V C 0.648 176.881 176.094 0.233 0.000 1.372 25 V CA 0.550 62.900 62.300 0.082 0.000 1.214 25 V CB -0.160 31.519 31.823 -0.239 0.000 1.224 25 V HN 0.707 nan 8.190 nan 0.000 0.507 26 G N 1.459 110.398 108.800 0.231 0.000 2.782 26 G HA2 0.381 4.276 3.960 -0.109 0.000 0.201 26 G HA3 0.381 4.276 3.960 -0.109 0.000 0.201 26 G C 0.621 175.657 174.900 0.227 0.000 1.374 26 G CA 0.347 45.566 45.100 0.198 0.000 1.039 26 G HN 0.498 nan 8.290 nan 0.000 0.576 27 E N -1.441 118.869 120.200 0.184 0.000 2.150 27 E HA -0.193 4.092 4.350 -0.109 0.000 0.193 27 E C 1.875 178.679 176.600 0.340 0.000 0.985 27 E CA 1.354 57.884 56.400 0.217 0.000 0.814 27 E CB -0.410 29.397 29.700 0.179 0.000 0.752 27 E HN 0.525 nan 8.360 nan 0.000 0.466 28 Y N 1.135 121.528 120.300 0.156 0.000 2.114 28 Y HA -0.055 4.429 4.550 -0.109 0.000 0.284 28 Y C 2.399 178.397 175.900 0.162 0.000 1.143 28 Y CA 2.180 60.376 58.100 0.160 0.000 1.135 28 Y CB -0.657 37.834 38.460 0.052 0.000 0.980 28 Y HN 0.126 nan 8.280 nan 0.000 0.499 29 G N 0.379 109.377 108.800 0.330 0.000 2.408 29 G HA2 -0.279 3.616 3.960 -0.109 0.000 0.217 29 G HA3 -0.279 3.616 3.960 -0.109 0.000 0.217 29 G C 1.555 176.507 174.900 0.087 0.000 1.150 29 G CA 0.942 46.195 45.100 0.256 0.000 0.776 29 G HN 0.464 nan 8.290 nan 0.000 0.542 30 L N 0.169 121.362 121.223 -0.050 0.000 2.012 30 L HA -0.127 4.148 4.340 -0.109 0.000 0.210 30 L C 2.624 179.302 176.870 -0.320 0.000 1.073 30 L CA 2.035 56.579 54.840 -0.493 0.000 0.748 30 L CB -0.654 41.074 42.059 -0.550 0.000 0.891 30 L HN 0.309 nan 8.230 nan 0.000 0.431 31 H N -1.885 117.073 119.070 -0.187 0.000 2.423 31 H HA -0.114 4.377 4.556 -0.109 0.000 0.297 31 H C 2.162 176.968 175.328 -0.870 0.000 1.075 31 H CA 1.567 57.379 56.048 -0.394 0.000 1.342 31 H CB -0.145 29.366 29.762 -0.419 0.000 1.395 31 H HN 0.520 nan 8.280 nan 0.000 0.530 32 H N 0.642 119.313 119.070 -0.664 0.000 2.422 32 H HA -0.079 4.411 4.556 -0.109 0.000 0.298 32 H C 2.456 177.168 175.328 -1.027 0.000 1.098 32 H CA 0.788 56.332 56.048 -0.839 0.000 1.315 32 H CB -0.248 29.052 29.762 -0.769 0.000 1.382 32 H HN 0.227 nan 8.280 nan 0.000 0.523 33 L N -0.671 120.275 121.223 -0.462 0.000 2.079 33 L HA -0.177 4.098 4.340 -0.109 0.000 0.210 33 L C 2.204 179.023 176.870 -0.085 0.000 1.081 33 L CA 0.943 55.664 54.840 -0.200 0.000 0.752 33 L CB -0.526 41.563 42.059 0.052 0.000 0.896 33 L HN 0.184 nan 8.230 nan 0.000 0.433 34 V N -1.372 118.453 119.914 -0.149 0.000 2.379 34 V HA -0.261 3.793 4.120 -0.109 0.000 0.245 34 V C 2.330 178.398 176.094 -0.042 0.000 1.044 34 V CA 1.436 63.677 62.300 -0.099 0.000 1.036 34 V CB -0.716 30.928 31.823 -0.298 0.000 0.664 34 V HN 0.256 nan 8.190 nan 0.000 0.453 35 Y N -0.521 119.651 120.300 -0.213 0.000 2.224 35 Y HA -0.127 4.358 4.550 -0.108 0.000 0.289 35 Y C 2.334 178.209 175.900 -0.041 0.000 1.146 35 Y CA 0.524 58.492 58.100 -0.220 0.000 1.182 35 Y CB -1.216 36.965 38.460 -0.466 0.000 0.983 35 Y HN 0.204 nan 8.280 nan 0.000 0.524 36 F N -0.674 119.328 119.950 0.087 0.000 2.134 36 F HA -0.197 4.265 4.527 -0.109 0.000 0.299 36 F C 2.361 178.159 175.800 -0.003 0.000 1.097 36 F CA 0.599 58.621 58.000 0.036 0.000 1.264 36 F CB -1.484 37.524 39.000 0.014 0.000 1.001 36 F HN 0.027 nan 8.300 nan 0.000 0.479 37 L N -0.564 120.774 121.223 0.192 0.000 1.994 37 L HA -0.247 4.027 4.340 -0.109 0.000 0.208 37 L C 2.510 179.448 176.870 0.113 0.000 1.071 37 L CA 1.207 56.124 54.840 0.130 0.000 0.745 37 L CB -0.776 41.394 42.059 0.184 0.000 0.892 37 L HN 0.125 nan 8.230 nan 0.000 0.431 38 L N -0.506 120.796 121.223 0.133 0.000 2.081 38 L HA -0.292 3.983 4.340 -0.109 0.000 0.212 38 L C 2.192 179.120 176.870 0.096 0.000 1.080 38 L CA 1.208 56.116 54.840 0.112 0.000 0.754 38 L CB -0.703 41.416 42.059 0.100 0.000 0.893 38 L HN 0.327 nan 8.230 nan 0.000 0.433 39 D N -0.493 119.967 120.400 0.101 0.000 2.144 39 D HA -0.135 4.439 4.640 -0.109 0.000 0.199 39 D C 2.340 178.673 176.300 0.055 0.000 0.984 39 D CA 0.998 55.061 54.000 0.105 0.000 0.834 39 D CB -0.202 40.672 40.800 0.123 0.000 0.955 39 D HN 0.098 nan 8.370 nan 0.000 0.465 40 V N 1.468 121.340 119.914 -0.069 0.000 2.287 40 V HA -0.279 3.776 4.120 -0.109 0.000 0.248 40 V C 2.544 178.459 176.094 -0.299 0.000 1.053 40 V CA 1.989 64.098 62.300 -0.319 0.000 1.027 40 V CB -0.860 30.571 31.823 -0.653 0.000 0.646 40 V HN 0.205 nan 8.190 nan 0.000 0.447 41 A N -1.042 121.714 122.820 -0.107 0.000 1.902 41 A HA -0.266 3.989 4.320 -0.109 0.000 0.217 41 A C 2.166 179.757 177.584 0.012 0.000 1.181 41 A CA 2.038 54.083 52.037 0.014 0.000 0.623 41 A CB -0.800 18.270 19.000 0.118 0.000 0.818 41 A HN 0.660 nan 8.150 nan 0.000 0.443 42 Y N 0.866 121.137 120.300 -0.048 0.000 2.128 42 Y HA -0.244 4.240 4.550 -0.110 0.000 0.284 42 Y C 2.298 178.170 175.900 -0.047 0.000 1.154 42 Y CA 2.452 60.525 58.100 -0.044 0.000 1.149 42 Y CB -0.324 38.108 38.460 -0.046 0.000 0.976 42 Y HN 0.428 nan 8.280 nan 0.000 0.505 43 E N 0.291 120.405 120.200 -0.143 0.000 2.106 43 E HA -0.174 4.111 4.350 -0.109 0.000 0.192 43 E C 1.938 178.398 176.600 -0.234 0.000 0.984 43 E CA 1.710 57.984 56.400 -0.210 0.000 0.806 43 E CB -0.219 29.445 29.700 -0.061 0.000 0.750 43 E HN 0.511 nan 8.360 nan 0.000 0.458 44 E N 0.353 120.443 120.200 -0.184 0.000 2.051 44 E HA -0.169 4.115 4.350 -0.109 0.000 0.192 44 E C 2.072 178.600 176.600 -0.120 0.000 0.991 44 E CA 1.218 57.555 56.400 -0.104 0.000 0.799 44 E CB -0.605 29.091 29.700 -0.007 0.000 0.748 44 E HN 0.396 nan 8.360 nan 0.000 0.449 45 A N 1.740 124.463 122.820 -0.162 0.000 1.902 45 A HA -0.212 4.043 4.320 -0.109 0.000 0.217 45 A C 2.236 179.673 177.584 -0.245 0.000 1.181 45 A CA 1.750 53.690 52.037 -0.162 0.000 0.623 45 A CB -0.601 18.321 19.000 -0.131 0.000 0.818 45 A HN 0.146 nan 8.150 nan 0.000 0.443 46 R N -0.489 119.728 120.500 -0.471 0.000 2.117 46 R HA -0.126 4.148 4.340 -0.109 0.000 0.243 46 R C 1.739 177.918 176.300 -0.201 0.000 1.143 46 R CA 1.514 57.357 56.100 -0.429 0.000 0.968 46 R CB -0.165 29.761 30.300 -0.624 0.000 0.863 46 R HN 0.425 nan 8.270 nan 0.000 0.444 47 R N -0.922 119.480 120.500 -0.164 0.000 2.317 47 R HA 0.075 4.350 4.340 -0.109 0.000 0.208 47 R C 0.661 176.923 176.300 -0.063 0.000 0.914 47 R CA 0.687 56.732 56.100 -0.092 0.000 1.060 47 R CB 0.721 30.975 30.300 -0.075 0.000 1.015 47 R HN 0.501 nan 8.270 nan 0.000 0.498 48 G N 1.867 110.627 108.800 -0.067 0.000 2.160 48 G HA2 -0.217 3.678 3.960 -0.109 0.000 0.244 48 G HA3 -0.217 3.678 3.960 -0.109 0.000 0.244 48 G C 0.258 175.147 174.900 -0.019 0.000 1.022 48 G CA 0.070 45.148 45.100 -0.036 0.000 0.741 48 G HN 0.301 nan 8.290 nan 0.000 0.508 49 E N -1.115 119.073 120.200 -0.019 0.000 2.603 49 E HA 0.305 4.590 4.350 -0.109 0.000 0.211 49 E C 0.315 176.933 176.600 0.029 0.000 0.995 49 E CA 0.368 56.773 56.400 0.009 0.000 0.990 49 E CB 0.796 30.507 29.700 0.018 0.000 1.036 49 E HN 0.612 nan 8.360 nan 0.000 0.475 50 C N 0.119 119.428 119.300 0.015 0.000 2.752 50 C HA 0.432 4.826 4.460 -0.109 0.000 0.360 50 C C 0.820 175.824 174.990 0.023 0.000 1.081 50 C CA -0.460 58.576 59.018 0.029 0.000 1.272 50 C CB 0.525 28.296 27.740 0.051 0.000 1.754 50 C HN 0.298 nan 8.230 nan 0.000 0.483 51 R N 1.641 122.157 120.500 0.027 0.000 2.307 51 R HA 0.273 4.548 4.340 -0.109 0.000 0.200 51 R C -0.780 175.549 176.300 0.048 0.000 0.893 51 R CA 0.362 56.482 56.100 0.033 0.000 1.042 51 R CB 0.392 30.705 30.300 0.022 0.000 1.059 51 R HN 0.739 nan 8.270 nan 0.000 0.530 52 D N -0.455 119.978 120.400 0.054 0.000 2.934 52 D HA 0.337 4.912 4.640 -0.109 0.000 0.230 52 D C -1.482 174.877 176.300 0.098 0.000 1.204 52 D CA -0.435 53.617 54.000 0.087 0.000 0.873 52 D CB 3.095 43.961 40.800 0.110 0.000 1.645 52 D HN -0.274 nan 8.370 nan 0.000 0.502 53 V N 1.666 121.663 119.914 0.139 0.000 2.623 53 V HA 0.540 4.594 4.120 -0.109 0.000 0.304 53 V C -0.772 175.447 176.094 0.209 0.000 1.054 53 V CA -0.759 61.638 62.300 0.161 0.000 0.882 53 V CB 2.020 33.933 31.823 0.149 0.000 1.002 53 V HN 0.416 nan 8.190 nan 0.000 0.424 54 V N 5.724 125.788 119.914 0.250 0.000 2.444 54 V HA 0.531 4.586 4.120 -0.109 0.000 0.294 54 V C -0.595 175.625 176.094 0.209 0.000 1.022 54 V CA -0.593 61.841 62.300 0.224 0.000 0.850 54 V CB 1.761 33.707 31.823 0.204 0.000 0.992 54 V HN 0.674 nan 8.190 nan 0.000 0.426 55 L N 4.263 125.605 121.223 0.199 0.000 2.307 55 L HA 0.694 4.968 4.340 -0.109 0.000 0.284 55 L C -0.314 176.560 176.870 0.006 0.000 1.023 55 L CA 0.220 55.163 54.840 0.171 0.000 0.810 55 L CB 1.515 43.752 42.059 0.297 0.000 1.231 55 L HN 0.822 nan 8.230 nan 0.000 0.423 56 E N 3.705 123.873 120.200 -0.054 0.000 2.246 56 E HA 0.577 4.862 4.350 -0.109 0.000 0.266 56 E C -1.822 174.664 176.600 -0.190 0.000 0.880 56 E CA -0.746 55.549 56.400 -0.175 0.000 0.762 56 E CB 1.896 31.552 29.700 -0.073 0.000 1.180 56 E HN 0.494 nan 8.360 nan 0.000 0.416 57 V N 3.295 123.045 119.914 -0.274 0.000 2.417 57 V HA 0.635 4.689 4.120 -0.109 0.000 0.291 57 V C 0.638 176.668 176.094 -0.108 0.000 1.024 57 V CA -0.516 61.678 62.300 -0.177 0.000 0.861 57 V CB 1.474 33.241 31.823 -0.094 0.000 0.985 57 V HN 0.748 nan 8.190 nan 0.000 0.436 58 G N 2.295 111.063 108.800 -0.053 0.000 2.491 58 G HA2 0.516 4.410 3.960 -0.109 0.000 0.327 58 G HA3 0.516 4.410 3.960 -0.109 0.000 0.327 58 G C 0.951 175.858 174.900 0.012 0.000 1.189 58 G CA -0.017 45.074 45.100 -0.015 0.000 0.956 58 G HN 0.929 nan 8.290 nan 0.000 0.491 59 G N -0.318 108.490 108.800 0.014 0.000 2.471 59 G HA2 -0.112 3.783 3.960 -0.109 0.000 0.219 59 G HA3 -0.112 3.783 3.960 -0.109 0.000 0.219 59 G C 1.058 175.974 174.900 0.027 0.000 1.125 59 G CA 1.287 46.401 45.100 0.023 0.000 0.775 59 G HN 0.668 nan 8.290 nan 0.000 0.548 60 D N -0.258 120.159 120.400 0.028 0.000 2.319 60 D HA 0.179 4.753 4.640 -0.109 0.000 0.230 60 D C 1.661 177.976 176.300 0.024 0.000 1.094 60 D CA 0.453 54.470 54.000 0.028 0.000 0.856 60 D CB -0.595 40.227 40.800 0.037 0.000 0.915 60 D HN 0.408 nan 8.370 nan 0.000 0.517 61 G N 0.417 109.239 108.800 0.037 0.000 2.184 61 G HA2 -0.313 3.581 3.960 -0.109 0.000 0.264 61 G HA3 -0.313 3.581 3.960 -0.109 0.000 0.264 61 G C 0.432 175.362 174.900 0.050 0.000 0.975 61 G CA 0.626 45.761 45.100 0.059 0.000 0.642 61 G HN 0.832 nan 8.290 nan 0.000 0.536 62 S N -0.287 115.386 115.700 -0.044 0.000 2.645 62 S HA 0.801 5.205 4.470 -0.109 0.000 0.266 62 S C 0.080 174.467 174.600 -0.356 0.000 1.258 62 S CA -0.582 57.470 58.200 -0.246 0.000 0.990 62 S CB 1.830 64.910 63.200 -0.201 0.000 0.967 62 S HN 0.568 nan 8.310 nan 0.000 0.556 63 I N 0.927 121.095 120.570 -0.670 0.000 2.619 63 I HA 0.617 4.721 4.170 -0.109 0.000 0.292 63 I C -0.294 175.595 176.117 -0.379 0.000 1.100 63 I CA -0.608 60.328 61.300 -0.607 0.000 1.043 63 I CB 1.463 38.885 38.000 -0.962 0.000 1.239 63 I HN 0.989 nan 8.210 nan 0.000 0.420 64 A N 6.320 129.086 122.820 -0.090 0.000 2.414 64 A HA 0.854 5.109 4.320 -0.109 0.000 0.306 64 A C -1.641 176.033 177.584 0.151 0.000 1.054 64 A CA -0.528 51.579 52.037 0.116 0.000 0.724 64 A CB 2.150 21.299 19.000 0.249 0.000 1.267 64 A HN 0.615 nan 8.150 nan 0.000 0.418 65 L N 2.043 123.408 121.223 0.237 0.000 2.356 65 L HA 0.823 5.097 4.340 -0.109 0.000 0.277 65 L C -1.425 175.633 176.870 0.315 0.000 0.996 65 L CA -0.473 54.521 54.840 0.258 0.000 0.822 65 L CB 1.363 43.583 42.059 0.268 0.000 1.256 65 L HN 0.691 nan 8.230 nan 0.000 0.413 66 F N 5.102 125.143 119.950 0.152 0.000 2.480 66 F HA 0.732 5.194 4.527 -0.109 0.000 0.329 66 F C -0.940 174.938 175.800 0.131 0.000 1.091 66 F CA -0.542 57.532 58.000 0.124 0.000 0.972 66 F CB 1.289 40.323 39.000 0.057 0.000 1.150 66 F HN 0.527 nan 8.300 nan 0.000 0.467 67 C N 3.685 122.446 119.300 -0.897 0.000 2.547 67 C HA 0.624 5.019 4.460 -0.109 0.000 0.313 67 C C 0.018 174.445 174.990 -0.939 0.000 1.191 67 C CA -0.635 58.046 59.018 -0.562 0.000 1.474 67 C CB 1.368 29.099 27.740 -0.014 0.000 2.081 67 C HN 0.966 nan 8.230 nan 0.000 0.476 68 T N 0.409 114.693 114.554 -0.451 0.000 2.849 68 T HA 0.701 4.986 4.350 -0.109 0.000 0.284 68 T C -0.137 174.499 174.700 -0.107 0.000 1.004 68 T CA -0.395 61.574 62.100 -0.219 0.000 1.021 68 T CB 1.462 70.330 68.868 -0.000 0.000 1.013 68 T HN 0.833 nan 8.240 nan 0.000 0.527 69 S N -0.733 114.939 115.700 -0.047 0.000 2.567 69 S HA 0.471 4.875 4.470 -0.109 0.000 0.270 69 S C -0.276 174.332 174.600 0.014 0.000 1.152 69 S CA -0.907 57.291 58.200 -0.003 0.000 0.835 69 S CB 1.630 64.819 63.200 -0.019 0.000 1.115 69 S HN 0.777 nan 8.310 nan 0.000 0.459 70 R N 0.282 120.797 120.500 0.024 0.000 2.437 70 R HA 0.219 4.494 4.340 -0.109 0.000 0.257 70 R C 1.191 177.504 176.300 0.023 0.000 0.927 70 R CA 0.882 56.995 56.100 0.022 0.000 1.078 70 R CB 0.550 30.860 30.300 0.017 0.000 1.161 70 R HN 0.746 nan 8.270 nan 0.000 0.529 71 T N -4.103 110.470 114.554 0.032 0.000 2.958 71 T HA 0.181 4.466 4.350 -0.109 0.000 0.256 71 T C 0.631 175.353 174.700 0.038 0.000 0.983 71 T CA -0.245 61.874 62.100 0.032 0.000 0.924 71 T CB 0.208 69.098 68.868 0.036 0.000 1.136 71 T HN -0.072 nan 8.240 nan 0.000 0.506 72 V N 4.324 124.260 119.914 0.037 0.000 2.788 72 V HA 0.450 4.505 4.120 -0.109 0.000 0.307 72 V C 0.383 176.476 176.094 -0.001 0.000 1.069 72 V CA 1.003 63.312 62.300 0.015 0.000 1.173 72 V CB 0.744 32.486 31.823 -0.135 0.000 0.925 72 V HN 0.846 nan 8.190 nan 0.000 0.492 73 T N 3.346 117.904 114.554 0.007 0.000 2.916 73 T HA 0.710 4.994 4.350 -0.109 0.000 0.292 73 T C 0.788 175.471 174.700 -0.029 0.000 1.055 73 T CA -0.192 61.897 62.100 -0.018 0.000 1.009 73 T CB 1.831 70.685 68.868 -0.024 0.000 1.118 73 T HN 0.995 nan 8.240 nan 0.000 0.497 74 A N 0.371 123.146 122.820 -0.075 0.000 1.933 74 A HA -0.029 4.225 4.320 -0.109 0.000 0.218 74 A C 2.153 179.687 177.584 -0.084 0.000 1.175 74 A CA 1.705 53.684 52.037 -0.097 0.000 0.628 74 A CB -1.003 17.826 19.000 -0.286 0.000 0.814 74 A HN 0.996 nan 8.150 nan 0.000 0.444 75 E N 0.089 120.227 120.200 -0.104 0.000 2.077 75 E HA -0.264 4.020 4.350 -0.109 0.000 0.193 75 E C 2.002 178.627 176.600 0.043 0.000 0.989 75 E CA 1.286 57.656 56.400 -0.050 0.000 0.800 75 E CB -0.211 29.454 29.700 -0.057 0.000 0.746 75 E HN 0.615 nan 8.360 nan 0.000 0.452 76 N N 0.984 119.724 118.700 0.067 0.000 2.037 76 N HA -0.208 4.466 4.740 -0.109 0.000 0.196 76 N C 1.890 177.513 175.510 0.187 0.000 1.034 76 N CA 1.382 54.528 53.050 0.160 0.000 0.861 76 N CB -0.545 38.033 38.487 0.152 0.000 1.039 76 N HN 0.166 nan 8.380 nan 0.000 0.427 77 L N 0.383 121.686 121.223 0.133 0.000 2.046 77 L HA -0.068 4.207 4.340 -0.109 0.000 0.208 77 L C 2.443 179.384 176.870 0.119 0.000 1.077 77 L CA 0.893 55.813 54.840 0.133 0.000 0.747 77 L CB -1.164 40.937 42.059 0.070 0.000 0.896 77 L HN 0.116 nan 8.230 nan 0.000 0.432 78 V N -0.153 119.826 119.914 0.107 0.000 2.343 78 V HA -0.288 3.767 4.120 -0.109 0.000 0.247 78 V C 2.702 178.854 176.094 0.096 0.000 1.051 78 V CA 1.554 63.920 62.300 0.111 0.000 1.036 78 V CB -0.549 31.334 31.823 0.100 0.000 0.654 78 V HN 0.438 nan 8.190 nan 0.000 0.451 79 R N -0.408 120.156 120.500 0.106 0.000 2.070 79 R HA -0.121 4.154 4.340 -0.109 0.000 0.233 79 R C 2.243 178.568 176.300 0.042 0.000 1.137 79 R CA 1.573 57.735 56.100 0.103 0.000 0.945 79 R CB -0.665 29.750 30.300 0.193 0.000 0.845 79 R HN 0.397 nan 8.270 nan 0.000 0.430 80 V N 1.188 121.139 119.914 0.061 0.000 2.490 80 V HA -0.206 3.849 4.120 -0.109 0.000 0.250 80 V C 2.386 178.440 176.094 -0.068 0.000 1.061 80 V CA 1.762 64.040 62.300 -0.037 0.000 1.064 80 V CB -0.642 31.212 31.823 0.052 0.000 0.670 80 V HN 0.412 nan 8.190 nan 0.000 0.461 81 A N 0.640 123.453 122.820 -0.011 0.000 2.019 81 A HA -0.190 4.064 4.320 -0.109 0.000 0.219 81 A C 2.230 179.787 177.584 -0.045 0.000 1.164 81 A CA 2.175 54.192 52.037 -0.034 0.000 0.644 81 A CB -0.655 18.378 19.000 0.056 0.000 0.805 81 A HN 0.640 nan 8.150 nan 0.000 0.449 82 T N -5.164 109.373 114.554 -0.028 0.000 3.145 82 T HA 0.465 4.750 4.350 -0.109 0.000 0.255 82 T C 1.092 175.734 174.700 -0.097 0.000 1.039 82 T CA 0.931 63.009 62.100 -0.038 0.000 0.928 82 T CB 0.326 69.209 68.868 0.026 0.000 1.029 82 T HN 1.568 nan 8.240 nan 0.000 0.554 83 G N 0.888 109.591 108.800 -0.161 0.000 2.192 83 G HA2 0.056 3.951 3.960 -0.109 0.000 0.193 83 G HA3 0.056 3.951 3.960 -0.109 0.000 0.193 83 G C 0.323 175.119 174.900 -0.173 0.000 0.999 83 G CA -0.329 44.657 45.100 -0.190 0.000 0.659 83 G HN 1.075 nan 8.290 nan 0.000 0.503 84 A N 0.211 122.897 122.820 -0.223 0.000 2.546 84 A HA 0.595 4.850 4.320 -0.109 0.000 0.243 84 A C 2.091 179.133 177.584 -0.904 0.000 1.063 84 A CA 2.166 53.958 52.037 -0.408 0.000 0.757 84 A CB -0.166 18.668 19.000 -0.277 0.000 0.991 84 A HN 2.382 nan 8.150 nan 0.000 0.503 85 G N 1.240 109.470 108.800 -0.950 0.000 2.205 85 G HA2 -0.250 3.644 3.960 -0.109 0.000 0.261 85 G HA3 -0.250 3.644 3.960 -0.109 0.000 0.261 85 G C 0.186 174.781 174.900 -0.508 0.000 0.980 85 G CA 0.374 44.734 45.100 -1.232 0.000 0.632 85 G HN 1.496 nan 8.290 nan 0.000 0.533 86 F N 2.539 122.214 119.950 -0.459 0.000 2.578 86 F HA 0.462 4.923 4.527 -0.109 0.000 0.376 86 F C 1.573 177.269 175.800 -0.173 0.000 1.085 86 F CA 0.224 58.054 58.000 -0.282 0.000 1.260 86 F CB 0.035 38.891 39.000 -0.240 0.000 1.095 86 F HN 0.441 nan 8.300 nan 0.000 0.573 87 L N 6.176 127.006 121.223 -0.655 0.000 3.678 87 L HA -0.287 3.988 4.340 -0.109 0.000 0.425 87 L C 1.178 177.904 176.870 -0.241 0.000 1.240 87 L CA 0.660 55.181 54.840 -0.532 0.000 0.876 87 L CB -2.164 39.478 42.059 -0.695 0.000 1.766 87 L HN 1.194 nan 8.230 nan 0.000 0.917 88 G N -0.442 108.270 108.800 -0.147 0.000 2.184 88 G HA2 -0.331 3.564 3.960 -0.109 0.000 0.264 88 G HA3 -0.331 3.564 3.960 -0.109 0.000 0.264 88 G C 0.346 175.248 174.900 0.002 0.000 0.975 88 G CA 0.627 45.705 45.100 -0.037 0.000 0.642 88 G HN 0.523 nan 8.290 nan 0.000 0.536 89 R N 1.353 121.823 120.500 -0.050 0.000 2.239 89 R HA 0.468 4.743 4.340 -0.109 0.000 0.332 89 R C -2.378 173.920 176.300 -0.003 0.000 0.988 89 R CA -1.662 54.434 56.100 -0.007 0.000 0.859 89 R CB 1.776 32.060 30.300 -0.027 0.000 1.148 89 R HN 0.210 nan 8.270 nan 0.000 0.482 90 P HA 0.256 nan 4.420 nan 0.000 0.279 90 P C -2.649 174.854 177.300 0.338 0.000 1.276 90 P CA -2.100 61.122 63.100 0.203 0.000 0.801 90 P CB 0.201 32.035 31.700 0.224 0.000 1.127 91 P HA 0.306 nan 4.420 nan 0.000 0.271 91 P C 0.078 177.518 177.300 0.233 0.000 1.218 91 P CA 0.584 63.835 63.100 0.252 0.000 0.780 91 P CB 0.589 32.356 31.700 0.112 0.000 0.901 92 G N 1.691 110.559 108.800 0.113 0.000 2.393 92 G HA2 0.424 4.319 3.960 -0.109 0.000 0.264 92 G HA3 0.424 4.319 3.960 -0.109 0.000 0.264 92 G C -2.111 172.355 174.900 -0.723 0.000 1.221 92 G CA -0.563 44.243 45.100 -0.489 0.000 0.912 92 G HN 0.457 nan 8.290 nan 0.000 0.483 93 D N -1.583 118.142 120.400 -1.126 0.000 2.609 93 D HA 0.685 5.260 4.640 -0.109 0.000 0.239 93 D C -0.064 175.968 176.300 -0.447 0.000 1.229 93 D CA 0.706 54.380 54.000 -0.543 0.000 0.808 93 D CB 2.231 42.856 40.800 -0.293 0.000 1.448 93 D HN 1.449 nan 8.370 nan 0.000 0.433 94 G N -0.254 108.512 108.800 -0.055 0.000 2.321 94 G HA2 0.146 4.041 3.960 -0.109 0.000 0.339 94 G HA3 0.146 4.041 3.960 -0.109 0.000 0.339 94 G C -1.904 173.147 174.900 0.251 0.000 1.518 94 G CA -1.310 43.866 45.100 0.126 0.000 0.994 94 G HN 0.442 nan 8.290 nan 0.000 0.668 95 W N 1.591 122.952 121.300 0.101 0.000 2.505 95 W HA 0.396 4.990 4.660 -0.109 0.000 0.332 95 W C 1.437 178.029 176.519 0.123 0.000 1.434 95 W CA 2.269 59.666 57.345 0.087 0.000 1.320 95 W CB 0.252 29.744 29.460 0.052 0.000 1.363 95 W HN 2.240 nan 8.180 nan 0.000 0.565 96 G N 4.337 112.940 108.800 -0.328 0.000 2.162 96 G HA2 -0.345 3.550 3.960 -0.109 0.000 0.260 96 G HA3 -0.345 3.550 3.960 -0.109 0.000 0.260 96 G C 0.158 175.058 174.900 0.000 0.000 0.976 96 G CA -0.167 44.776 45.100 -0.261 0.000 0.655 96 G HN 0.649 nan 8.290 nan 0.000 0.533 97 W N 1.375 122.641 121.300 -0.056 0.000 2.216 97 W HA 0.423 5.018 4.660 -0.110 0.000 0.326 97 W C 0.722 177.228 176.519 -0.022 0.000 1.319 97 W CA 1.272 58.612 57.345 -0.009 0.000 1.213 97 W CB 0.374 29.838 29.460 0.007 0.000 1.171 97 W HN 0.323 nan 8.180 nan 0.000 0.557 98 D N 2.722 123.042 120.400 -0.132 0.000 2.708 98 D HA -0.219 4.356 4.640 -0.109 0.000 0.236 98 D C -0.275 176.014 176.300 -0.017 0.000 1.146 98 D CA 1.568 55.543 54.000 -0.041 0.000 0.662 98 D CB -0.809 40.049 40.800 0.097 0.000 1.059 98 D HN 0.297 nan 8.370 nan 0.000 0.428 99 S N -1.598 114.080 115.700 -0.038 0.000 2.806 99 S HA 0.685 5.090 4.470 -0.109 0.000 0.315 99 S C 0.927 175.504 174.600 -0.037 0.000 1.127 99 S CA -0.959 57.207 58.200 -0.056 0.000 0.918 99 S CB 1.456 64.585 63.200 -0.118 0.000 1.240 99 S HN -0.021 nan 8.310 nan 0.000 0.552 100 M N 1.342 120.850 119.600 -0.153 0.000 2.493 100 M HA 0.240 4.654 4.480 -0.109 0.000 0.244 100 M C 1.169 177.299 176.300 -0.282 0.000 1.182 100 M CA -0.074 55.035 55.300 -0.318 0.000 0.981 100 M CB -0.889 31.065 32.600 -1.075 0.000 1.551 100 M HN 0.769 nan 8.290 nan 0.000 0.476 101 L N 0.783 121.896 121.223 -0.183 0.000 2.021 101 L HA -0.163 4.111 4.340 -0.109 0.000 0.215 101 L C 2.160 178.873 176.870 -0.262 0.000 1.074 101 L CA 1.818 56.553 54.840 -0.174 0.000 0.760 101 L CB -0.853 41.125 42.059 -0.134 0.000 0.889 101 L HN 0.207 nan 8.230 nan 0.000 0.433 102 V N -1.244 118.449 119.914 -0.368 0.000 2.594 102 V HA -0.203 3.852 4.120 -0.109 0.000 0.253 102 V C 2.356 178.167 176.094 -0.471 0.000 1.069 102 V CA 1.643 63.665 62.300 -0.463 0.000 1.082 102 V CB -0.065 31.370 31.823 -0.647 0.000 0.680 102 V HN 0.378 nan 8.190 nan 0.000 0.469 103 V N -0.167 119.475 119.914 -0.452 0.000 2.307 103 V HA -0.189 3.865 4.120 -0.109 0.000 0.245 103 V C 2.630 178.673 176.094 -0.086 0.000 1.045 103 V CA 2.320 64.468 62.300 -0.254 0.000 1.024 103 V CB -0.782 30.970 31.823 -0.119 0.000 0.651 103 V HN 0.610 nan 8.190 nan 0.000 0.449 104 S N 0.280 115.927 115.700 -0.088 0.000 2.368 104 S HA -0.120 4.285 4.470 -0.109 0.000 0.225 104 S C 1.917 176.253 174.600 -0.440 0.000 1.030 104 S CA 1.570 59.599 58.200 -0.285 0.000 0.999 104 S CB -0.369 62.544 63.200 -0.479 0.000 0.844 104 S HN 0.455 nan 8.310 nan 0.000 0.459 105 L N 1.118 122.103 121.223 -0.397 0.000 2.027 105 L HA -0.080 4.194 4.340 -0.109 0.000 0.206 105 L C 2.864 179.691 176.870 -0.072 0.000 1.074 105 L CA 1.157 55.799 54.840 -0.329 0.000 0.745 105 L CB -0.822 40.947 42.059 -0.484 0.000 0.898 105 L HN 0.318 nan 8.230 nan 0.000 0.433 106 A N 0.195 122.929 122.820 -0.143 0.000 1.940 106 A HA -0.150 4.104 4.320 -0.109 0.000 0.219 106 A C 1.981 179.561 177.584 -0.006 0.000 1.176 106 A CA 1.444 53.407 52.037 -0.123 0.000 0.631 106 A CB -0.673 18.188 19.000 -0.231 0.000 0.814 106 A HN 0.427 nan 8.150 nan 0.000 0.446 107 L N 0.850 122.106 121.223 0.056 0.000 2.688 107 L HA 0.117 4.392 4.340 -0.109 0.000 0.234 107 L C 0.588 177.642 176.870 0.307 0.000 1.192 107 L CA -0.083 54.882 54.840 0.207 0.000 0.984 107 L CB -0.339 41.930 42.059 0.350 0.000 1.232 107 L HN 0.432 nan 8.230 nan 0.000 0.465 108 S N -2.026 113.818 115.700 0.240 0.000 2.608 108 S HA 0.281 4.686 4.470 -0.109 0.000 0.291 108 S C 1.102 175.840 174.600 0.231 0.000 1.146 108 S CA -0.215 58.171 58.200 0.311 0.000 1.043 108 S CB 1.888 65.327 63.200 0.398 0.000 1.037 108 S HN 0.235 nan 8.310 nan 0.000 0.520 109 S N 0.893 116.714 115.700 0.202 0.000 2.446 109 S HA 0.124 4.529 4.470 -0.109 0.000 0.225 109 S C 0.671 175.257 174.600 -0.024 0.000 1.016 109 S CA -0.263 58.015 58.200 0.130 0.000 0.943 109 S CB -0.616 62.671 63.200 0.145 0.000 0.786 109 S HN 0.980 nan 8.310 nan 0.000 0.508 110 R N -0.442 120.091 120.500 0.055 0.000 2.663 110 R HA 0.618 4.893 4.340 -0.109 0.000 0.267 110 R C -1.659 174.746 176.300 0.175 0.000 1.038 110 R CA -1.133 54.960 56.100 -0.012 0.000 0.886 110 R CB 0.832 31.120 30.300 -0.020 0.000 1.249 110 R HN 0.402 nan 8.270 nan 0.000 0.463 111 Y N -1.195 119.164 120.300 0.098 0.000 2.655 111 Y HA 0.566 5.051 4.550 -0.109 0.000 0.336 111 Y C -1.553 174.435 175.900 0.146 0.000 1.154 111 Y CA -1.163 57.036 58.100 0.166 0.000 1.055 111 Y CB 2.241 40.797 38.460 0.159 0.000 1.295 111 Y HN 0.790 nan 8.280 nan 0.000 0.465 112 Q N 1.975 122.086 119.800 0.518 0.000 2.271 112 Q HA 0.668 4.942 4.340 -0.109 0.000 0.268 112 Q C -2.439 173.745 176.000 0.307 0.000 1.021 112 Q CA -0.843 55.157 55.803 0.327 0.000 0.802 112 Q CB 2.778 31.620 28.738 0.174 0.000 1.282 112 Q HN 0.773 nan 8.270 nan 0.000 0.431 113 V N 3.903 123.958 119.914 0.235 0.000 2.495 113 V HA 0.475 4.529 4.120 -0.109 0.000 0.298 113 V C -0.711 175.391 176.094 0.013 0.000 1.031 113 V CA -0.552 61.825 62.300 0.128 0.000 0.871 113 V CB 1.891 33.780 31.823 0.110 0.000 0.988 113 V HN 0.809 nan 8.190 nan 0.000 0.432 114 D N 4.403 124.770 120.400 -0.055 0.000 2.362 114 D HA 0.631 5.205 4.640 -0.109 0.000 0.247 114 D C -1.019 175.100 176.300 -0.302 0.000 1.050 114 D CA -0.209 53.600 54.000 -0.317 0.000 0.839 114 D CB 2.967 43.403 40.800 -0.606 0.000 1.283 114 D HN 0.270 nan 8.370 nan 0.000 0.477 115 I N 1.450 121.826 120.570 -0.325 0.000 2.466 115 I HA 0.302 4.407 4.170 -0.109 0.000 0.289 115 I C -0.545 175.498 176.117 -0.123 0.000 1.026 115 I CA -0.647 60.593 61.300 -0.100 0.000 1.078 115 I CB 1.935 39.925 38.000 -0.016 0.000 1.249 115 I HN 0.142 nan 8.210 nan 0.000 0.429 116 W N 5.479 126.818 121.300 0.065 0.000 2.529 116 W HA 0.836 5.431 4.660 -0.109 0.000 0.321 116 W C -0.266 176.280 176.519 0.045 0.000 1.047 116 W CA -0.951 56.438 57.345 0.075 0.000 1.216 116 W CB 2.150 31.668 29.460 0.097 0.000 1.357 116 W HN 0.564 nan 8.180 nan 0.000 0.489 117 A N 2.878 125.836 122.820 0.230 0.000 2.582 117 A HA 0.415 4.669 4.320 -0.109 0.000 0.297 117 A C -0.410 177.238 177.584 0.107 0.000 1.059 117 A CA -0.562 51.557 52.037 0.137 0.000 0.705 117 A CB 0.838 19.884 19.000 0.076 0.000 1.279 117 A HN 0.731 nan 8.150 nan 0.000 0.404 118 D N 0.978 121.428 120.400 0.082 0.000 2.772 118 D HA -0.186 4.389 4.640 -0.109 0.000 0.233 118 D C 1.141 177.485 176.300 0.073 0.000 1.143 118 D CA 2.723 56.760 54.000 0.061 0.000 0.700 118 D CB -1.353 39.471 40.800 0.041 0.000 1.076 118 D HN 2.337 nan 8.370 nan 0.000 0.430 119 G N -0.379 108.478 108.800 0.094 0.000 2.175 119 G HA2 -0.383 3.512 3.960 -0.109 0.000 0.265 119 G HA3 -0.383 3.512 3.960 -0.109 0.000 0.265 119 G C 0.403 175.372 174.900 0.115 0.000 0.979 119 G CA 1.015 46.174 45.100 0.098 0.000 0.663 119 G HN 0.575 nan 8.290 nan 0.000 0.533 120 R N -0.830 119.746 120.500 0.126 0.000 2.867 120 R HA 0.713 4.988 4.340 -0.109 0.000 0.268 120 R C -0.513 175.850 176.300 0.106 0.000 1.014 120 R CA -0.795 55.373 56.100 0.113 0.000 0.946 120 R CB 1.519 31.879 30.300 0.099 0.000 1.208 120 R HN 0.257 nan 8.270 nan 0.000 0.477 121 Q N 1.352 121.169 119.800 0.028 0.000 2.347 121 Q HA 0.291 4.566 4.340 -0.109 0.000 0.271 121 Q C -1.718 174.259 176.000 -0.039 0.000 1.064 121 Q CA -0.644 55.057 55.803 -0.169 0.000 0.800 121 Q CB 2.417 30.906 28.738 -0.415 0.000 1.304 121 Q HN 0.605 nan 8.270 nan 0.000 0.438 122 W N 4.445 125.575 121.300 -0.282 0.000 2.761 122 W HA 0.604 5.198 4.660 -0.109 0.000 0.340 122 W C -1.424 174.958 176.519 -0.228 0.000 1.072 122 W CA -0.736 56.493 57.345 -0.193 0.000 1.215 122 W CB 2.091 31.477 29.460 -0.123 0.000 1.420 122 W HN 0.699 nan 8.180 nan 0.000 0.519 123 R N 3.746 123.887 120.500 -0.599 0.000 2.575 123 R HA 0.543 4.817 4.340 -0.109 0.000 0.293 123 R C -1.969 174.158 176.300 -0.289 0.000 0.983 123 R CA -0.427 55.459 56.100 -0.357 0.000 0.887 123 R CB 1.990 32.084 30.300 -0.343 0.000 1.184 123 R HN 0.241 nan 8.270 nan 0.000 0.445 124 V N 5.715 125.608 119.914 -0.035 0.000 2.409 124 V HA 0.433 4.488 4.120 -0.109 0.000 0.291 124 V C -0.067 176.075 176.094 0.081 0.000 1.020 124 V CA -0.879 61.462 62.300 0.068 0.000 0.848 124 V CB 1.651 33.602 31.823 0.214 0.000 0.990 124 V HN 0.745 nan 8.190 nan 0.000 0.430 125 M N 3.363 122.952 119.600 -0.018 0.000 2.342 125 M HA 0.645 5.060 4.480 -0.109 0.000 0.332 125 M C 0.470 176.576 176.300 -0.323 0.000 1.166 125 M CA -0.202 55.034 55.300 -0.107 0.000 1.086 125 M CB 1.490 34.018 32.600 -0.119 0.000 1.541 125 M HN 0.758 nan 8.290 nan 0.000 0.462 126 G N 1.270 109.626 108.800 -0.740 0.000 2.591 126 G HA2 0.713 4.608 3.960 -0.109 0.000 0.306 126 G HA3 0.713 4.608 3.960 -0.109 0.000 0.306 126 G C -1.363 173.137 174.900 -0.666 0.000 1.334 126 G CA -0.519 43.814 45.100 -1.278 0.000 0.981 126 G HN 0.663 nan 8.290 nan 0.000 0.491 127 E N 1.077 121.021 120.200 -0.427 0.000 2.275 127 E HA 0.318 4.603 4.350 -0.109 0.000 0.270 127 E C -0.637 175.780 176.600 -0.305 0.000 0.882 127 E CA -1.060 55.075 56.400 -0.443 0.000 0.758 127 E CB 1.703 31.159 29.700 -0.407 0.000 1.195 127 E HN 0.674 nan 8.360 nan 0.000 0.419 128 H N 1.396 120.490 119.070 0.040 0.000 2.820 128 H HA -0.233 4.257 4.556 -0.109 0.000 0.295 128 H C 0.953 176.331 175.328 0.082 0.000 1.187 128 H CA 1.302 57.402 56.048 0.088 0.000 1.144 128 H CB -1.556 28.272 29.762 0.109 0.000 1.354 128 H HN 1.104 nan 8.280 nan 0.000 0.395 129 G N -0.953 107.891 108.800 0.073 0.000 2.194 129 G HA2 -0.248 3.647 3.960 -0.109 0.000 0.236 129 G HA3 -0.248 3.647 3.960 -0.109 0.000 0.236 129 G C -0.100 174.736 174.900 -0.107 0.000 0.987 129 G CA 0.320 45.416 45.100 -0.007 0.000 0.635 129 G HN 0.703 nan 8.290 nan 0.000 0.520 130 H N 1.189 120.293 119.070 0.057 0.000 2.495 130 H HA 0.417 4.908 4.556 -0.109 0.000 0.348 130 H C -2.447 172.860 175.328 -0.035 0.000 1.113 130 H CA -1.435 54.640 56.048 0.045 0.000 1.195 130 H CB 2.309 32.087 29.762 0.026 0.000 1.521 130 H HN 0.132 nan 8.280 nan 0.000 0.509 131 P HA -0.004 nan 4.420 nan 0.000 0.271 131 P C -0.344 176.984 177.300 0.045 0.000 1.216 131 P CA -0.435 62.726 63.100 0.102 0.000 0.776 131 P CB 0.938 32.754 31.700 0.194 0.000 0.881 132 Q N 2.277 122.064 119.800 -0.022 0.000 2.423 132 Q HA 0.371 4.646 4.340 -0.109 0.000 0.235 132 Q C 1.347 177.359 176.000 0.020 0.000 1.100 132 Q CA 0.392 56.186 55.803 -0.015 0.000 0.908 132 Q CB 0.010 28.712 28.738 -0.060 0.000 1.312 132 Q HN 0.857 nan 8.270 nan 0.000 0.497 133 G N 3.518 112.342 108.800 0.040 0.000 2.552 133 G HA2 -0.353 3.542 3.960 -0.109 0.000 0.265 133 G HA3 -0.353 3.542 3.960 -0.109 0.000 0.265 133 G C 0.257 175.218 174.900 0.103 0.000 1.234 133 G CA 0.357 45.494 45.100 0.061 0.000 0.944 133 G HN 0.709 nan 8.290 nan 0.000 0.568 134 E N 0.718 121.004 120.200 0.143 0.000 2.558 134 E HA 0.466 4.750 4.350 -0.109 0.000 0.205 134 E C 1.078 177.921 176.600 0.406 0.000 1.006 134 E CA 0.692 57.225 56.400 0.221 0.000 0.961 134 E CB 0.249 30.059 29.700 0.183 0.000 1.044 134 E HN 2.408 nan 8.360 nan 0.000 0.465 135 G N 0.585 109.524 108.800 0.232 0.000 2.627 135 G HA2 0.151 4.046 3.960 -0.109 0.000 0.214 135 G HA3 0.151 4.046 3.960 -0.109 0.000 0.214 135 G C -0.549 174.178 174.900 -0.288 0.000 1.331 135 G CA -0.481 44.637 45.100 0.029 0.000 0.891 135 G HN 0.901 nan 8.290 nan 0.000 0.539 136 A N -1.457 120.707 122.820 -1.093 0.000 2.612 136 A HA 1.031 5.286 4.320 -0.109 0.000 0.293 136 A C 0.209 176.787 177.584 -1.678 0.000 1.075 136 A CA 0.551 51.846 52.037 -1.236 0.000 0.680 136 A CB 0.794 19.477 19.000 -0.530 0.000 1.279 136 A HN 2.683 nan 8.150 nan 0.000 0.411 137 A N 0.058 122.175 122.820 -1.172 0.000 2.425 137 A HA 0.538 4.792 4.320 -0.109 0.000 0.242 137 A C -0.095 177.269 177.584 -0.366 0.000 1.077 137 A CA -0.007 51.710 52.037 -0.533 0.000 0.781 137 A CB -0.015 18.940 19.000 -0.075 0.000 1.020 137 A HN 1.518 nan 8.150 nan 0.000 0.494 138 V N 2.640 122.406 119.914 -0.246 0.000 2.311 138 V HA 0.516 4.571 4.120 -0.109 0.000 0.275 138 V C 0.240 176.279 176.094 -0.091 0.000 1.022 138 V CA 0.139 62.330 62.300 -0.181 0.000 0.830 138 V CB 0.732 32.431 31.823 -0.207 0.000 1.012 138 V HN 1.060 nan 8.190 nan 0.000 0.452 139 T N 3.218 117.730 114.554 -0.069 0.000 2.881 139 T HA 0.704 4.989 4.350 -0.109 0.000 0.291 139 T C -1.901 172.784 174.700 -0.024 0.000 0.990 139 T CA -1.246 60.837 62.100 -0.029 0.000 0.976 139 T CB 1.808 70.665 68.868 -0.018 0.000 0.970 139 T HN 0.548 nan 8.240 nan 0.000 0.438 140 P HA 0.296 nan 4.420 nan 0.000 0.276 140 P C -0.027 177.285 177.300 0.020 0.000 1.252 140 P CA -0.885 62.220 63.100 0.010 0.000 0.802 140 P CB 0.705 32.413 31.700 0.014 0.000 1.035 141 M N 1.251 120.880 119.600 0.049 0.000 2.261 141 M HA -0.024 4.391 4.480 -0.109 0.000 0.350 141 M C 0.274 176.655 176.300 0.135 0.000 1.343 141 M CA 0.878 56.238 55.300 0.101 0.000 1.003 141 M CB 0.074 32.766 32.600 0.153 0.000 1.848 141 M HN 0.329 nan 8.290 nan 0.000 0.456 142 E N 5.601 125.922 120.200 0.200 0.000 2.283 142 E HA 0.399 4.683 4.350 -0.109 0.000 0.267 142 E C -2.389 174.379 176.600 0.280 0.000 1.045 142 E CA -1.930 54.589 56.400 0.198 0.000 0.884 142 E CB 0.450 30.243 29.700 0.156 0.000 1.106 142 E HN 0.452 nan 8.360 nan 0.000 0.408 143 P HA 0.005 nan 4.420 nan 0.000 0.271 143 P C -0.670 176.474 177.300 -0.260 0.000 1.216 143 P CA 0.365 63.433 63.100 -0.054 0.000 0.771 143 P CB 0.419 32.067 31.700 -0.087 0.000 0.864 144 M N 5.126 124.377 119.600 -0.582 0.000 2.228 144 M HA 0.098 4.513 4.480 -0.109 0.000 0.351 144 M C -1.161 174.622 176.300 -0.860 0.000 1.233 144 M CA -1.250 53.363 55.300 -1.145 0.000 1.129 144 M CB 0.156 32.183 32.600 -0.956 0.000 1.604 144 M HN 0.287 nan 8.290 nan 0.000 0.457 145 P HA -0.100 nan 4.420 nan 0.000 0.216 145 P C -0.363 176.578 177.300 -0.598 0.000 1.150 145 P CA 1.014 63.610 63.100 -0.840 0.000 0.843 145 P CB 0.164 31.202 31.700 -1.104 0.000 0.787 146 V N -1.195 118.333 119.914 -0.643 0.000 2.525 146 V HA 0.257 4.311 4.120 -0.109 0.000 0.299 146 V C 0.043 176.045 176.094 -0.154 0.000 1.034 146 V CA -0.852 61.327 62.300 -0.202 0.000 0.863 146 V CB 1.761 33.623 31.823 0.066 0.000 0.999 146 V HN -0.145 nan 8.190 nan 0.000 0.423 147 S N 3.069 118.686 115.700 -0.138 0.000 2.531 147 S HA 0.750 5.154 4.470 -0.109 0.000 0.279 147 S C 0.113 174.690 174.600 -0.037 0.000 1.305 147 S CA 0.536 58.667 58.200 -0.115 0.000 1.058 147 S CB 0.506 63.646 63.200 -0.099 0.000 0.899 147 S HN 1.350 nan 8.310 nan 0.000 0.493 148 A N 3.782 126.591 122.820 -0.019 0.000 2.540 148 A HA 0.506 4.760 4.320 -0.109 0.000 0.291 148 A C 0.491 178.090 177.584 0.025 0.000 1.083 148 A CA -0.605 51.442 52.037 0.016 0.000 0.650 148 A CB 0.156 19.184 19.000 0.046 0.000 1.292 148 A HN 0.690 nan 8.150 nan 0.000 0.435 149 E N -0.025 120.193 120.200 0.030 0.000 2.058 149 E HA -0.130 4.155 4.350 -0.109 0.000 0.194 149 E C 0.320 176.959 176.600 0.066 0.000 0.997 149 E CA 1.205 57.628 56.400 0.039 0.000 0.801 149 E CB 0.029 29.747 29.700 0.030 0.000 0.746 149 E HN 0.455 nan 8.360 nan 0.000 0.450 150 R N -1.364 119.176 120.500 0.067 0.000 2.817 150 R HA 0.648 4.923 4.340 -0.109 0.000 0.268 150 R C -0.491 175.862 176.300 0.087 0.000 1.027 150 R CA -0.505 55.655 56.100 0.100 0.000 0.928 150 R CB 2.317 32.653 30.300 0.060 0.000 1.228 150 R HN 0.121 nan 8.270 nan 0.000 0.469 151 G N -0.164 108.726 108.800 0.150 0.000 2.576 151 G HA2 0.480 4.375 3.960 -0.109 0.000 0.290 151 G HA3 0.480 4.375 3.960 -0.109 0.000 0.290 151 G C -2.047 172.922 174.900 0.115 0.000 1.442 151 G CA -0.426 44.677 45.100 0.004 0.000 0.792 151 G HN 0.386 nan 8.290 nan 0.000 0.491 152 V N 0.050 119.815 119.914 -0.248 0.000 2.733 152 V HA 0.871 4.926 4.120 -0.109 0.000 0.306 152 V C -0.830 175.247 176.094 -0.028 0.000 1.084 152 V CA -0.961 61.232 62.300 -0.178 0.000 0.905 152 V CB 1.841 33.201 31.823 -0.772 0.000 1.010 152 V HN 0.984 nan 8.190 nan 0.000 0.424 153 R N 4.666 125.362 120.500 0.327 0.000 2.494 153 R HA 0.821 5.095 4.340 -0.109 0.000 0.305 153 R C -2.037 174.394 176.300 0.217 0.000 0.959 153 R CA -0.482 55.855 56.100 0.394 0.000 0.864 153 R CB 2.159 32.841 30.300 0.636 0.000 1.159 153 R HN 0.605 nan 8.270 nan 0.000 0.446 154 V N 4.964 125.021 119.914 0.240 0.000 2.407 154 V HA 0.295 4.350 4.120 -0.109 0.000 0.291 154 V C -0.516 175.785 176.094 0.345 0.000 1.018 154 V CA -0.689 61.756 62.300 0.240 0.000 0.842 154 V CB 1.245 33.205 31.823 0.228 0.000 0.996 154 V HN 0.701 nan 8.190 nan 0.000 0.426 155 H N 6.308 125.530 119.070 0.253 0.000 2.489 155 H HA 0.689 5.179 4.556 -0.109 0.000 0.343 155 H C -1.567 173.959 175.328 0.329 0.000 1.086 155 H CA -0.527 55.653 56.048 0.221 0.000 1.198 155 H CB 1.897 31.743 29.762 0.140 0.000 1.490 155 H HN 0.615 nan 8.280 nan 0.000 0.504 156 F N 2.235 121.945 119.950 -0.400 0.000 2.686 156 F HA 0.581 5.042 4.527 -0.109 0.000 0.311 156 F C -2.145 173.516 175.800 -0.230 0.000 1.128 156 F CA -0.994 56.905 58.000 -0.167 0.000 0.946 156 F CB 1.078 40.081 39.000 0.006 0.000 1.336 156 F HN 0.107 nan 8.300 nan 0.000 0.457 157 V N 2.166 122.080 119.914 -0.000 0.000 2.376 157 V HA 0.431 4.486 4.120 -0.109 0.000 0.287 157 V C -2.454 173.744 176.094 0.173 0.000 1.015 157 V CA -2.077 60.198 62.300 -0.041 0.000 0.834 157 V CB 1.405 33.239 31.823 0.018 0.000 1.001 157 V HN 0.589 nan 8.190 nan 0.000 0.428 158 P HA -0.017 nan 4.420 nan 0.000 0.264 158 P C -0.303 177.143 177.300 0.243 0.000 1.183 158 P CA 0.144 63.366 63.100 0.204 0.000 0.763 158 P CB 0.395 32.033 31.700 -0.103 0.000 0.807 159 D N 2.927 123.555 120.400 0.380 0.000 2.382 159 D HA 0.046 4.621 4.640 -0.109 0.000 0.259 159 D C 1.093 177.561 176.300 0.280 0.000 1.224 159 D CA 0.143 54.319 54.000 0.294 0.000 0.894 159 D CB 0.770 41.729 40.800 0.265 0.000 1.127 159 D HN 0.288 nan 8.370 nan 0.000 0.487 160 A N 3.075 126.001 122.820 0.177 0.000 2.121 160 A HA -0.133 4.122 4.320 -0.109 0.000 0.218 160 A C 1.929 179.573 177.584 0.100 0.000 1.154 160 A CA 1.618 53.734 52.037 0.132 0.000 0.679 160 A CB -0.396 18.655 19.000 0.085 0.000 0.795 160 A HN 0.662 nan 8.150 nan 0.000 0.458 161 T N -3.235 111.373 114.554 0.090 0.000 3.113 161 T HA 0.229 4.514 4.350 -0.109 0.000 0.256 161 T C 1.503 176.205 174.700 0.002 0.000 1.131 161 T CA 0.953 63.080 62.100 0.044 0.000 1.074 161 T CB -0.237 68.653 68.868 0.037 0.000 0.944 161 T HN 0.378 nan 8.240 nan 0.000 0.516 162 I N -1.460 119.102 120.570 -0.012 0.000 3.194 162 I HA 0.335 4.440 4.170 -0.109 0.000 0.271 162 I C 0.050 175.976 176.117 -0.318 0.000 1.150 162 I CA -0.193 60.985 61.300 -0.205 0.000 1.440 162 I CB 0.310 38.111 38.000 -0.332 0.000 1.276 162 I HN 0.109 nan 8.210 nan 0.000 0.457 163 F N 1.459 121.426 119.950 0.028 0.000 2.384 163 F HA 0.150 4.611 4.527 -0.109 0.000 0.338 163 F C 1.601 177.399 175.800 -0.004 0.000 1.103 163 F CA -0.065 57.941 58.000 0.010 0.000 1.157 163 F CB 0.782 39.775 39.000 -0.011 0.000 1.167 163 F HN -0.055 nan 8.300 nan 0.000 0.529 164 E N 1.168 121.473 120.200 0.174 0.000 2.230 164 E HA 0.023 4.307 4.350 -0.109 0.000 0.192 164 E C -0.360 176.285 176.600 0.075 0.000 0.987 164 E CA 0.547 57.002 56.400 0.091 0.000 0.841 164 E CB 0.510 30.252 29.700 0.070 0.000 0.783 164 E HN 0.413 nan 8.360 nan 0.000 0.481 165 V N -1.755 118.207 119.914 0.081 0.000 2.876 165 V HA 0.368 4.423 4.120 -0.109 0.000 0.312 165 V C 0.256 176.296 176.094 -0.090 0.000 1.085 165 V CA -0.816 61.485 62.300 0.001 0.000 0.945 165 V CB 1.804 33.626 31.823 -0.001 0.000 1.017 165 V HN 0.037 nan 8.190 nan 0.000 0.428 166 L N 1.622 122.750 121.223 -0.158 0.000 2.966 166 L HA 0.607 4.881 4.340 -0.109 0.000 0.262 166 L C 1.143 177.742 176.870 -0.453 0.000 1.165 166 L CA 0.457 55.119 54.840 -0.295 0.000 0.978 166 L CB 0.728 42.698 42.059 -0.148 0.000 1.337 166 L HN 0.854 nan 8.230 nan 0.000 0.563 167 A N 0.440 123.069 122.820 -0.318 0.000 2.309 167 A HA 0.574 4.829 4.320 -0.109 0.000 0.290 167 A C -0.732 176.660 177.584 -0.321 0.000 1.206 167 A CA -0.192 51.701 52.037 -0.239 0.000 0.850 167 A CB -0.135 18.825 19.000 -0.066 0.000 1.118 167 A HN 0.071 nan 8.150 nan 0.000 0.523 168 F N 1.436 121.340 119.950 -0.076 0.000 2.412 168 F HA 0.192 4.654 4.527 -0.109 0.000 0.348 168 F C 0.951 176.848 175.800 0.161 0.000 1.102 168 F CA -0.164 57.802 58.000 -0.057 0.000 1.196 168 F CB 0.932 39.862 39.000 -0.116 0.000 1.144 168 F HN 0.573 nan 8.300 nan 0.000 0.541 169 D N 3.034 123.784 120.400 0.584 0.000 2.374 169 D HA 0.082 4.656 4.640 -0.109 0.000 0.240 169 D C 1.277 177.740 176.300 0.271 0.000 1.229 169 D CA -0.001 54.188 54.000 0.315 0.000 0.895 169 D CB 0.462 41.353 40.800 0.152 0.000 1.046 169 D HN 0.395 nan 8.370 nan 0.000 0.498 170 R N 2.810 123.454 120.500 0.240 0.000 2.105 170 R HA -0.121 4.153 4.340 -0.109 0.000 0.239 170 R C 2.053 178.367 176.300 0.023 0.000 1.135 170 R CA 1.719 57.963 56.100 0.241 0.000 0.967 170 R CB -0.415 30.083 30.300 0.331 0.000 0.861 170 R HN 0.526 nan 8.270 nan 0.000 0.442 171 A N 1.018 123.866 122.820 0.047 0.000 1.902 171 A HA -0.225 4.029 4.320 -0.109 0.000 0.217 171 A C 2.100 179.647 177.584 -0.062 0.000 1.181 171 A CA 1.845 53.879 52.037 -0.006 0.000 0.623 171 A CB -0.535 18.485 19.000 0.034 0.000 0.818 171 A HN 0.444 nan 8.150 nan 0.000 0.443 172 R N -0.140 120.345 120.500 -0.025 0.000 2.115 172 R HA 0.058 4.332 4.340 -0.109 0.000 0.226 172 R C 1.768 178.044 176.300 -0.040 0.000 1.100 172 R CA 1.408 57.492 56.100 -0.027 0.000 0.980 172 R CB -0.627 29.664 30.300 -0.015 0.000 0.875 172 R HN 0.437 nan 8.270 nan 0.000 0.445 173 L N 1.179 122.367 121.223 -0.058 0.000 2.017 173 L HA -0.119 4.155 4.340 -0.109 0.000 0.208 173 L C 2.511 179.087 176.870 -0.489 0.000 1.073 173 L CA 1.648 56.397 54.840 -0.152 0.000 0.745 173 L CB -0.531 41.479 42.059 -0.082 0.000 0.894 173 L HN 0.279 nan 8.230 nan 0.000 0.432 174 S N -0.274 114.940 115.700 -0.810 0.000 2.370 174 S HA -0.176 4.229 4.470 -0.109 0.000 0.226 174 S C 2.013 176.317 174.600 -0.495 0.000 1.033 174 S CA 1.138 58.923 58.200 -0.692 0.000 1.011 174 S CB -0.330 62.659 63.200 -0.352 0.000 0.852 174 S HN 0.360 nan 8.310 nan 0.000 0.457 175 R N 0.762 121.069 120.500 -0.322 0.000 2.105 175 R HA -0.037 4.238 4.340 -0.109 0.000 0.239 175 R C 2.575 178.651 176.300 -0.375 0.000 1.135 175 R CA 1.399 57.325 56.100 -0.290 0.000 0.967 175 R CB -0.227 29.997 30.300 -0.126 0.000 0.861 175 R HN 0.184 nan 8.270 nan 0.000 0.442 176 R N 0.549 120.864 120.500 -0.308 0.000 2.115 176 R HA -0.067 4.208 4.340 -0.109 0.000 0.230 176 R C 1.995 178.064 176.300 -0.385 0.000 1.111 176 R CA 1.523 57.439 56.100 -0.307 0.000 0.976 176 R CB -0.728 29.453 30.300 -0.200 0.000 0.870 176 R HN 0.193 nan 8.270 nan 0.000 0.445 177 C N 0.510 119.545 119.300 -0.442 0.000 2.446 177 C HA 0.019 4.413 4.460 -0.109 0.000 0.277 177 C C 2.458 176.956 174.990 -0.819 0.000 1.275 177 C CA 1.026 59.768 59.018 -0.460 0.000 1.727 177 C CB -1.224 26.339 27.740 -0.295 0.000 2.010 177 C HN 0.632 nan 8.230 nan 0.000 0.486 178 N N 1.091 118.977 118.700 -1.356 0.000 2.104 178 N HA -0.144 4.531 4.740 -0.109 0.000 0.190 178 N C 1.641 176.526 175.510 -1.042 0.000 1.024 178 N CA 1.651 53.783 53.050 -1.529 0.000 0.853 178 N CB -0.354 37.320 38.487 -1.354 0.000 1.008 178 N HN 0.593 nan 8.380 nan 0.000 0.424 179 E N -0.187 119.450 120.200 -0.938 0.000 2.051 179 E HA -0.191 4.093 4.350 -0.109 0.000 0.192 179 E C 1.935 178.067 176.600 -0.780 0.000 0.991 179 E CA 0.948 56.698 56.400 -1.083 0.000 0.799 179 E CB -0.223 29.052 29.700 -0.709 0.000 0.748 179 E HN 0.258 nan 8.360 nan 0.000 0.449 180 L N 1.157 122.070 121.223 -0.518 0.000 2.042 180 L HA -0.160 4.115 4.340 -0.109 0.000 0.210 180 L C 2.238 178.978 176.870 -0.217 0.000 1.076 180 L CA 2.120 56.783 54.840 -0.296 0.000 0.749 180 L CB -0.651 41.310 42.059 -0.162 0.000 0.893 180 L HN 0.042 nan 8.230 nan 0.000 0.432 181 A N -0.393 122.277 122.820 -0.249 0.000 1.940 181 A HA -0.144 4.110 4.320 -0.109 0.000 0.219 181 A C 2.454 179.928 177.584 -0.183 0.000 1.176 181 A CA 2.012 53.970 52.037 -0.131 0.000 0.631 181 A CB -1.210 17.772 19.000 -0.030 0.000 0.814 181 A HN 0.627 nan 8.150 nan 0.000 0.446 182 A N -0.639 121.957 122.820 -0.374 0.000 1.930 182 A HA 0.071 4.325 4.320 -0.109 0.000 0.217 182 A C 2.084 179.550 177.584 -0.197 0.000 1.175 182 A CA 1.375 53.222 52.037 -0.317 0.000 0.627 182 A CB -0.456 18.165 19.000 -0.632 0.000 0.815 182 A HN 0.462 nan 8.150 nan 0.000 0.443 183 L N -1.346 119.716 121.223 -0.268 0.000 2.341 183 L HA 0.111 4.385 4.340 -0.109 0.000 0.214 183 L C 1.337 178.234 176.870 0.045 0.000 1.115 183 L CA 0.623 55.367 54.840 -0.159 0.000 0.820 183 L CB -0.023 41.840 42.059 -0.327 0.000 0.944 183 L HN 0.363 nan 8.230 nan 0.000 0.452 184 A N 0.453 123.296 122.820 0.039 0.000 3.064 184 A HA 0.460 4.715 4.320 -0.109 0.000 0.339 184 A C -2.481 175.113 177.584 0.017 0.000 1.078 184 A CA -1.321 50.751 52.037 0.058 0.000 0.869 184 A CB -0.318 18.724 19.000 0.071 0.000 1.067 184 A HN -0.141 nan 8.150 nan 0.000 0.480 185 P HA 0.239 nan 4.420 nan 0.000 0.264 185 P C 1.188 178.493 177.300 0.008 0.000 1.193 185 P CA 2.010 65.103 63.100 -0.011 0.000 0.763 185 P CB 0.885 32.583 31.700 -0.003 0.000 0.810 186 G N 1.848 110.644 108.800 -0.006 0.000 2.258 186 G HA2 -0.262 3.632 3.960 -0.109 0.000 0.233 186 G HA3 -0.262 3.632 3.960 -0.109 0.000 0.233 186 G C -0.120 174.937 174.900 0.262 0.000 1.006 186 G CA -0.082 45.098 45.100 0.134 0.000 0.620 186 G HN 0.618 nan 8.290 nan 0.000 0.511 187 L N 2.505 123.820 121.223 0.153 0.000 2.499 187 L HA 0.527 4.801 4.340 -0.109 0.000 0.273 187 L C 0.862 177.867 176.870 0.224 0.000 1.195 187 L CA -0.039 54.887 54.840 0.144 0.000 0.882 187 L CB 0.194 42.303 42.059 0.084 0.000 1.133 187 L HN 0.304 nan 8.230 nan 0.000 0.483 188 R N 4.456 125.062 120.500 0.177 0.000 2.216 188 R HA 0.503 4.777 4.340 -0.109 0.000 0.332 188 R C -1.138 175.266 176.300 0.174 0.000 1.056 188 R CA -0.534 55.665 56.100 0.165 0.000 0.901 188 R CB 0.868 31.195 30.300 0.046 0.000 1.039 188 R HN 0.487 nan 8.270 nan 0.000 0.456 189 V N 2.259 122.319 119.914 0.242 0.000 2.540 189 V HA 0.352 4.407 4.120 -0.109 0.000 0.302 189 V C -0.298 176.028 176.094 0.387 0.000 1.035 189 V CA -0.647 61.818 62.300 0.276 0.000 0.873 189 V CB 2.083 34.055 31.823 0.249 0.000 0.992 189 V HN 0.734 nan 8.190 nan 0.000 0.428 190 S N 3.851 119.744 115.700 0.323 0.000 2.536 190 S HA 0.737 5.142 4.470 -0.109 0.000 0.298 190 S C -1.140 173.700 174.600 0.400 0.000 1.083 190 S CA -0.420 57.951 58.200 0.286 0.000 0.995 190 S CB 1.795 65.070 63.200 0.125 0.000 1.058 190 S HN 0.596 nan 8.310 nan 0.000 0.488 191 F N 2.615 122.704 119.950 0.232 0.000 2.427 191 F HA 0.692 5.154 4.527 -0.109 0.000 0.348 191 F C -0.351 175.500 175.800 0.084 0.000 1.125 191 F CA -0.859 57.267 58.000 0.210 0.000 0.989 191 F CB 0.735 39.960 39.000 0.375 0.000 1.165 191 F HN 0.609 nan 8.300 nan 0.000 0.442 192 A N 4.912 127.423 122.820 -0.514 0.000 2.256 192 A HA 0.352 4.606 4.320 -0.109 0.000 0.317 192 A C -0.865 176.367 177.584 -0.587 0.000 1.318 192 A CA -0.565 51.232 52.037 -0.400 0.000 0.894 192 A CB 0.194 19.064 19.000 -0.216 0.000 1.165 192 A HN 0.635 nan 8.150 nan 0.000 0.525 193 D N 3.779 123.927 120.400 -0.419 0.000 2.500 193 D HA 0.233 4.808 4.640 -0.109 0.000 0.219 193 D C 1.101 177.319 176.300 -0.137 0.000 1.137 193 D CA -0.152 53.687 54.000 -0.267 0.000 0.946 193 D CB 0.324 41.085 40.800 -0.066 0.000 1.022 193 D HN 0.549 nan 8.370 nan 0.000 0.518 194 L N 1.873 123.014 121.223 -0.136 0.000 2.079 194 L HA -0.232 4.043 4.340 -0.109 0.000 0.210 194 L C 2.413 179.255 176.870 -0.047 0.000 1.081 194 L CA 1.055 55.845 54.840 -0.083 0.000 0.752 194 L CB -0.231 41.784 42.059 -0.072 0.000 0.896 194 L HN 0.396 nan 8.230 nan 0.000 0.433 195 Q N 0.094 119.875 119.800 -0.032 0.000 2.030 195 Q HA -0.205 4.070 4.340 -0.109 0.000 0.204 195 Q C 2.211 178.208 176.000 -0.005 0.000 0.986 195 Q CA 1.525 57.323 55.803 -0.009 0.000 0.843 195 Q CB -0.141 28.602 28.738 0.009 0.000 0.904 195 Q HN 0.517 nan 8.270 nan 0.000 0.420 196 R N -0.383 120.116 120.500 -0.002 0.000 2.323 196 R HA 0.024 4.299 4.340 -0.109 0.000 0.198 196 R C 1.055 177.350 176.300 -0.007 0.000 0.988 196 R CA 0.493 56.596 56.100 0.006 0.000 1.041 196 R CB -0.021 30.294 30.300 0.025 0.000 0.926 196 R HN 0.394 nan 8.270 nan 0.000 0.476 197 G N 2.080 110.867 108.800 -0.022 0.000 2.283 197 G HA2 -0.334 3.560 3.960 -0.109 0.000 0.280 197 G HA3 -0.334 3.560 3.960 -0.109 0.000 0.280 197 G C -0.246 174.635 174.900 -0.032 0.000 1.029 197 G CA 0.574 45.656 45.100 -0.029 0.000 0.840 197 G HN 0.476 nan 8.290 nan 0.000 0.505 198 E N -0.731 119.448 120.200 -0.035 0.000 2.212 198 E HA 0.708 4.992 4.350 -0.109 0.000 0.268 198 E C -0.014 176.552 176.600 -0.056 0.000 0.902 198 E CA -1.232 55.150 56.400 -0.030 0.000 0.779 198 E CB 1.077 30.779 29.700 0.004 0.000 1.172 198 E HN 0.290 nan 8.360 nan 0.000 0.409 199 R N 2.544 123.007 120.500 -0.061 0.000 2.510 199 R HA 0.308 4.583 4.340 -0.109 0.000 0.287 199 R C -1.618 174.616 176.300 -0.111 0.000 1.084 199 R CA -0.375 55.677 56.100 -0.079 0.000 0.934 199 R CB 1.730 31.980 30.300 -0.083 0.000 1.201 199 R HN 0.499 nan 8.270 nan 0.000 0.431 200 T N 5.094 119.561 114.554 -0.144 0.000 2.795 200 T HA 0.348 4.633 4.350 -0.109 0.000 0.282 200 T C -0.798 173.572 174.700 -0.551 0.000 0.980 200 T CA -0.530 61.311 62.100 -0.432 0.000 1.012 200 T CB 1.201 69.668 68.868 -0.668 0.000 0.936 200 T HN 0.414 nan 8.240 nan 0.000 0.457 201 L N 3.967 124.878 121.223 -0.521 0.000 2.305 201 L HA 0.579 4.853 4.340 -0.109 0.000 0.284 201 L C -1.407 175.237 176.870 -0.376 0.000 1.013 201 L CA -0.636 54.032 54.840 -0.288 0.000 0.819 201 L CB 0.656 42.645 42.059 -0.117 0.000 1.227 201 L HN 0.624 nan 8.230 nan 0.000 0.417 202 W N 5.215 126.556 121.300 0.068 0.000 2.520 202 W HA 0.375 4.968 4.660 -0.111 0.000 0.323 202 W C -0.400 176.189 176.519 0.117 0.000 1.062 202 W CA -0.639 56.740 57.345 0.058 0.000 1.215 202 W CB 1.201 30.660 29.460 -0.001 0.000 1.340 202 W HN 0.601 nan 8.180 nan 0.000 0.516 203 H N 3.746 122.930 119.070 0.190 0.000 3.240 203 H HA 0.282 4.774 4.556 -0.107 0.000 0.326 203 H C -1.660 173.730 175.328 0.102 0.000 1.015 203 H CA -0.572 55.546 56.048 0.117 0.000 1.504 203 H CB 1.049 30.853 29.762 0.070 0.000 1.754 203 H HN 0.286 nan 8.280 nan 0.000 0.505 204 L N 8.911 130.023 121.223 -0.186 0.000 2.506 204 L HA 0.282 4.557 4.340 -0.109 0.000 0.247 204 L C -1.643 175.089 176.870 -0.230 0.000 1.141 204 L CA -1.544 53.204 54.840 -0.154 0.000 0.973 204 L CB 1.352 43.387 42.059 -0.041 0.000 1.319 204 L HN 0.534 nan 8.230 nan 0.000 0.455 205 P HA -0.093 nan 4.420 nan 0.000 0.222 205 P C 1.313 178.562 177.300 -0.085 0.000 1.147 205 P CA 0.860 63.823 63.100 -0.229 0.000 0.790 205 P CB 0.396 31.972 31.700 -0.207 0.000 0.780 206 G N -1.140 107.624 108.800 -0.059 0.000 2.920 206 G HA2 0.295 4.190 3.960 -0.109 0.000 0.208 206 G HA3 0.295 4.190 3.960 -0.109 0.000 0.208 206 G C 0.976 175.889 174.900 0.023 0.000 1.159 206 G CA 0.435 45.531 45.100 -0.007 0.000 0.784 206 G HN 0.539 nan 8.290 nan 0.000 0.535 207 G N -0.219 108.587 108.800 0.010 0.000 2.550 207 G HA2 -0.279 3.616 3.960 -0.109 0.000 0.277 207 G HA3 -0.279 3.616 3.960 -0.109 0.000 0.277 207 G C 1.379 176.347 174.900 0.113 0.000 1.190 207 G CA 1.652 46.774 45.100 0.037 0.000 0.971 207 G HN 1.204 nan 8.290 nan 0.000 0.559 208 V N -1.519 118.485 119.914 0.151 0.000 2.970 208 V HA 0.361 4.415 4.120 -0.109 0.000 0.260 208 V C 2.953 179.171 176.094 0.207 0.000 1.100 208 V CA 2.367 64.828 62.300 0.268 0.000 1.122 208 V CB -1.132 30.841 31.823 0.251 0.000 0.721 208 V HN 2.111 nan 8.190 nan 0.000 0.483 209 A N 0.274 123.177 122.820 0.137 0.000 1.873 209 A HA -0.217 4.038 4.320 -0.109 0.000 0.215 209 A C 2.337 180.006 177.584 0.141 0.000 1.186 209 A CA 1.884 53.986 52.037 0.108 0.000 0.616 209 A CB -0.590 18.450 19.000 0.067 0.000 0.823 209 A HN 0.622 nan 8.150 nan 0.000 0.442 210 Q N -1.939 117.947 119.800 0.144 0.000 2.124 210 Q HA -0.218 4.056 4.340 -0.109 0.000 0.202 210 Q C 1.860 178.027 176.000 0.279 0.000 0.977 210 Q CA 1.802 57.703 55.803 0.163 0.000 0.850 210 Q CB -0.268 28.529 28.738 0.099 0.000 0.901 210 Q HN 0.787 nan 8.270 nan 0.000 0.429 211 W N 0.593 121.923 121.300 0.051 0.000 2.388 211 W HA -0.010 4.585 4.660 -0.109 0.000 0.294 211 W C 2.031 178.574 176.519 0.041 0.000 1.212 211 W CA 1.590 58.956 57.345 0.035 0.000 1.271 211 W CB -0.767 28.686 29.460 -0.012 0.000 1.126 211 W HN 0.256 nan 8.180 nan 0.000 0.535 212 A N -0.635 122.236 122.820 0.085 0.000 1.902 212 A HA -0.273 3.982 4.320 -0.109 0.000 0.217 212 A C 1.875 179.449 177.584 -0.017 0.000 1.181 212 A CA 2.166 54.155 52.037 -0.079 0.000 0.623 212 A CB -1.429 17.544 19.000 -0.044 0.000 0.818 212 A HN 0.566 nan 8.150 nan 0.000 0.443 213 H N -0.170 118.908 119.070 0.013 0.000 2.290 213 H HA -0.118 4.370 4.556 -0.114 0.000 0.298 213 H C 1.789 177.135 175.328 0.031 0.000 1.087 213 H CA 2.264 58.322 56.048 0.016 0.000 1.291 213 H CB -0.419 29.367 29.762 0.039 0.000 1.369 213 H HN 0.095 nan 8.280 nan 0.000 0.492 214 V N 0.828 120.747 119.914 0.008 0.000 2.252 214 V HA -0.298 3.756 4.120 -0.109 0.000 0.249 214 V C 2.739 178.792 176.094 -0.069 0.000 1.056 214 V CA 2.155 64.458 62.300 0.004 0.000 1.022 214 V CB -0.724 31.248 31.823 0.249 0.000 0.641 214 V HN 0.436 nan 8.190 nan 0.000 0.445 215 L N 0.440 121.619 121.223 -0.074 0.000 2.265 215 L HA -0.118 4.157 4.340 -0.109 0.000 0.215 215 L C 2.214 179.005 176.870 -0.132 0.000 1.117 215 L CA 1.841 56.607 54.840 -0.123 0.000 0.782 215 L CB -0.686 41.215 42.059 -0.263 0.000 0.914 215 L HN 0.615 nan 8.230 nan 0.000 0.441 216 T N -4.775 109.680 114.554 -0.165 0.000 3.044 216 T HA 0.030 4.314 4.350 -0.109 0.000 0.260 216 T C 1.375 175.969 174.700 -0.176 0.000 1.019 216 T CA 0.143 62.153 62.100 -0.151 0.000 0.921 216 T CB 0.032 68.818 68.868 -0.136 0.000 1.053 216 T HN 0.479 nan 8.240 nan 0.000 0.533 217 E N 2.039 122.084 120.200 -0.258 0.000 2.267 217 E HA -0.063 4.221 4.350 -0.109 0.000 0.197 217 E C 1.700 178.232 176.600 -0.114 0.000 0.998 217 E CA 1.166 57.400 56.400 -0.277 0.000 0.830 217 E CB -0.362 29.148 29.700 -0.317 0.000 0.751 217 E HN 0.589 nan 8.360 nan 0.000 0.491 218 A N 0.698 123.471 122.820 -0.079 0.000 2.500 218 A HA 0.307 4.561 4.320 -0.109 0.000 0.267 218 A C 0.213 177.777 177.584 -0.034 0.000 1.290 218 A CA -0.542 51.471 52.037 -0.040 0.000 0.928 218 A CB 0.108 19.093 19.000 -0.024 0.000 1.066 218 A HN 0.021 nan 8.150 nan 0.000 0.516 219 R N 0.192 120.665 120.500 -0.045 0.000 2.832 219 R HA 0.507 4.782 4.340 -0.109 0.000 0.271 219 R C -2.990 173.296 176.300 -0.023 0.000 0.996 219 R CA -2.067 54.014 56.100 -0.032 0.000 0.977 219 R CB 1.155 31.430 30.300 -0.041 0.000 1.168 219 R HN -0.037 nan 8.270 nan 0.000 0.482 220 P HA 0.099 nan 4.420 nan 0.000 0.274 220 P C -1.215 176.088 177.300 0.005 0.000 1.470 220 P CA -0.369 62.732 63.100 0.001 0.000 1.001 220 P CB 0.614 32.320 31.700 0.010 0.000 1.332 221 Q N 1.825 121.618 119.800 -0.012 0.000 2.313 221 Q HA 0.154 4.429 4.340 -0.109 0.000 0.266 221 Q C 1.034 177.033 176.000 -0.002 0.000 0.989 221 Q CA -0.099 55.682 55.803 -0.037 0.000 0.890 221 Q CB 0.896 29.588 28.738 -0.077 0.000 1.200 221 Q HN 0.466 nan 8.270 nan 0.000 0.396 222 L N 2.563 123.816 121.223 0.049 0.000 2.554 222 L HA 0.019 4.293 4.340 -0.109 0.000 0.226 222 L C 0.039 177.045 176.870 0.226 0.000 1.137 222 L CA 0.335 55.268 54.840 0.155 0.000 0.863 222 L CB -0.392 41.818 42.059 0.250 0.000 0.985 222 L HN 0.738 nan 8.230 nan 0.000 0.451 223 H N -5.064 114.074 119.070 0.112 0.000 3.046 223 H HA 0.279 4.746 4.556 -0.150 0.000 0.363 223 H C -2.524 172.852 175.328 0.080 0.000 1.203 223 H CA -1.743 54.342 56.048 0.063 0.000 1.169 223 H CB 0.714 30.523 29.762 0.078 0.000 1.851 223 H HN -0.332 nan 8.280 nan 0.000 0.546 224 P HA 0.064 nan 4.420 nan 0.000 0.236 224 P C -0.241 177.103 177.300 0.073 0.000 1.177 224 P CA 0.688 63.819 63.100 0.052 0.000 0.773 224 P CB 0.659 32.383 31.700 0.040 0.000 0.878 225 E N 0.139 120.432 120.200 0.156 0.000 2.292 225 E HA 0.462 4.746 4.350 -0.109 0.000 0.272 225 E C -2.801 173.987 176.600 0.313 0.000 0.881 225 E CA -2.909 53.589 56.400 0.163 0.000 0.754 225 E CB 1.655 31.421 29.700 0.109 0.000 1.201 225 E HN -0.137 nan 8.360 nan 0.000 0.425 226 P HA 0.053 nan 4.420 nan 0.000 0.269 226 P C -0.733 176.699 177.300 0.220 0.000 1.215 226 P CA -0.384 62.881 63.100 0.275 0.000 0.780 226 P CB 0.537 32.320 31.700 0.139 0.000 0.898 227 V N 3.183 123.223 119.914 0.210 0.000 2.555 227 V HA 0.240 4.294 4.120 -0.109 0.000 0.286 227 V C 0.605 176.589 176.094 -0.184 0.000 1.044 227 V CA 0.152 62.441 62.300 -0.018 0.000 1.026 227 V CB 0.611 32.448 31.823 0.024 0.000 0.981 227 V HN 0.402 nan 8.190 nan 0.000 0.480 228 V N 2.959 122.617 119.914 -0.426 0.000 2.876 228 V HA 0.828 4.882 4.120 -0.109 0.000 0.312 228 V C -1.236 174.421 176.094 -0.729 0.000 1.085 228 V CA -0.790 61.287 62.300 -0.371 0.000 0.945 228 V CB 2.083 33.828 31.823 -0.130 0.000 1.017 228 V HN 0.519 nan 8.190 nan 0.000 0.428 229 F N 1.418 121.395 119.950 0.045 0.000 2.588 229 F HA 0.826 5.293 4.527 -0.100 0.000 0.310 229 F C -0.578 175.310 175.800 0.146 0.000 1.082 229 F CA -0.500 57.549 58.000 0.083 0.000 0.929 229 F CB 2.250 41.300 39.000 0.084 0.000 1.254 229 F HN 0.743 nan 8.300 nan 0.000 0.455 230 D N 2.637 123.271 120.400 0.390 0.000 2.613 230 D HA 0.464 5.038 4.640 -0.109 0.000 0.230 230 D C -1.499 175.006 176.300 0.341 0.000 1.365 230 D CA -0.171 53.983 54.000 0.256 0.000 0.976 230 D CB 1.025 41.914 40.800 0.147 0.000 1.415 230 D HN 0.336 nan 8.370 nan 0.000 0.589 231 F N -0.293 119.720 119.950 0.105 0.000 2.711 231 F HA 0.779 5.240 4.527 -0.111 0.000 0.313 231 F C -1.212 174.650 175.800 0.104 0.000 1.141 231 F CA -0.837 57.217 58.000 0.091 0.000 0.941 231 F CB 1.606 40.652 39.000 0.076 0.000 1.349 231 F HN 0.002 nan 8.300 nan 0.000 0.464 232 T N 1.038 115.711 114.554 0.198 0.000 2.841 232 T HA 0.386 4.670 4.350 -0.109 0.000 0.283 232 T C -2.278 172.602 174.700 0.299 0.000 1.000 232 T CA -0.235 61.928 62.100 0.105 0.000 0.977 232 T CB 1.309 70.221 68.868 0.072 0.000 0.979 232 T HN 0.745 nan 8.240 nan 0.000 0.446 233 W N 3.479 124.801 121.300 0.037 0.000 2.781 233 W HA 0.478 5.073 4.660 -0.109 0.000 0.333 233 W C -0.481 176.054 176.519 0.026 0.000 1.047 233 W CA -0.605 56.792 57.345 0.086 0.000 1.236 233 W CB 0.841 30.389 29.460 0.146 0.000 1.394 233 W HN 0.761 nan 8.180 nan 0.000 0.466 234 D N 4.397 124.384 120.400 -0.688 0.000 2.686 234 D HA -0.174 4.400 4.640 -0.109 0.000 0.235 234 D C 1.237 177.308 176.300 -0.381 0.000 1.160 234 D CA 2.946 56.490 54.000 -0.760 0.000 0.645 234 D CB -0.920 38.986 40.800 -1.491 0.000 1.039 234 D HN 1.362 nan 8.370 nan 0.000 0.423 235 G N -1.542 107.142 108.800 -0.194 0.000 2.179 235 G HA2 -0.288 3.606 3.960 -0.109 0.000 0.260 235 G HA3 -0.288 3.606 3.960 -0.109 0.000 0.260 235 G C 0.300 175.162 174.900 -0.063 0.000 0.977 235 G CA 0.309 45.343 45.100 -0.111 0.000 0.641 235 G HN 0.546 nan 8.290 nan 0.000 0.533 236 L N 0.582 121.784 121.223 -0.035 0.000 2.313 236 L HA 0.548 4.823 4.340 -0.109 0.000 0.283 236 L C 0.779 177.644 176.870 -0.009 0.000 1.013 236 L CA -0.940 53.907 54.840 0.011 0.000 0.816 236 L CB 1.712 43.827 42.059 0.092 0.000 1.236 236 L HN 0.208 nan 8.230 nan 0.000 0.419 237 R N 2.756 123.236 120.500 -0.032 0.000 2.297 237 R HA 0.578 4.852 4.340 -0.109 0.000 0.308 237 R C -1.373 174.842 176.300 -0.142 0.000 1.029 237 R CA -0.448 55.600 56.100 -0.086 0.000 0.929 237 R CB 1.387 31.669 30.300 -0.030 0.000 1.046 237 R HN 0.413 nan 8.270 nan 0.000 0.461 238 V N 5.188 124.891 119.914 -0.353 0.000 2.409 238 V HA 0.300 4.354 4.120 -0.109 0.000 0.291 238 V C -0.615 175.365 176.094 -0.191 0.000 1.020 238 V CA -0.681 61.413 62.300 -0.344 0.000 0.848 238 V CB 1.680 33.075 31.823 -0.713 0.000 0.990 238 V HN 0.817 nan 8.190 nan 0.000 0.430 239 Q N 3.085 122.887 119.800 0.005 0.000 2.353 239 Q HA 0.712 4.987 4.340 -0.109 0.000 0.268 239 Q C -1.080 175.010 176.000 0.151 0.000 1.045 239 Q CA -0.398 55.462 55.803 0.095 0.000 0.811 239 Q CB 2.687 31.478 28.738 0.089 0.000 1.305 239 Q HN 0.796 nan 8.270 nan 0.000 0.447 240 C N 1.576 120.995 119.300 0.199 0.000 2.783 240 C HA 0.940 5.335 4.460 -0.109 0.000 0.312 240 C C -1.409 173.680 174.990 0.165 0.000 1.182 240 C CA -0.160 58.987 59.018 0.215 0.000 1.432 240 C CB 0.976 28.910 27.740 0.323 0.000 1.933 240 C HN 0.936 nan 8.230 nan 0.000 0.473 241 A N 4.832 127.725 122.820 0.122 0.000 2.422 241 A HA 0.902 5.157 4.320 -0.109 0.000 0.302 241 A C -1.858 175.749 177.584 0.038 0.000 1.041 241 A CA -0.410 51.667 52.037 0.068 0.000 0.708 241 A CB 1.048 20.084 19.000 0.060 0.000 1.257 241 A HN 0.864 nan 8.150 nan 0.000 0.414 242 L N 1.184 122.424 121.223 0.027 0.000 2.408 242 L HA 0.770 5.045 4.340 -0.109 0.000 0.268 242 L C -0.384 176.459 176.870 -0.045 0.000 0.986 242 L CA -0.366 54.412 54.840 -0.104 0.000 0.820 242 L CB 2.303 44.278 42.059 -0.139 0.000 1.303 242 L HN 0.747 nan 8.230 nan 0.000 0.411 243 Q N 2.355 122.040 119.800 -0.193 0.000 2.269 243 Q HA 0.384 4.659 4.340 -0.109 0.000 0.263 243 Q C -2.135 173.807 176.000 -0.097 0.000 0.983 243 Q CA -0.255 55.549 55.803 0.001 0.000 0.777 243 Q CB 1.422 30.123 28.738 -0.061 0.000 1.273 243 Q HN 0.487 nan 8.270 nan 0.000 0.440 244 W N 3.811 125.265 121.300 0.257 0.000 2.438 244 W HA 0.627 5.216 4.660 -0.119 0.000 0.324 244 W C -0.488 176.041 176.519 0.016 0.000 1.119 244 W CA -0.602 56.824 57.345 0.136 0.000 1.221 244 W CB 1.676 31.262 29.460 0.210 0.000 1.253 244 W HN 0.594 nan 8.180 nan 0.000 0.555 245 C N 0.735 120.158 119.300 0.206 0.000 2.971 245 C HA 0.261 4.655 4.460 -0.109 0.000 0.310 245 C C 0.242 175.296 174.990 0.107 0.000 1.285 245 C CA -0.791 58.286 59.018 0.097 0.000 1.593 245 C CB 1.784 29.535 27.740 0.020 0.000 2.076 245 C HN 0.667 nan 8.230 nan 0.000 0.472 246 E N 0.576 120.815 120.200 0.065 0.000 2.028 246 E HA 0.471 4.755 4.350 -0.109 0.000 0.275 246 E C -0.797 175.822 176.600 0.032 0.000 1.171 246 E CA -0.095 56.337 56.400 0.053 0.000 1.186 246 E CB -0.319 29.405 29.700 0.040 0.000 1.256 246 E HN 0.700 nan 8.360 nan 0.000 0.474 247 D N -0.200 120.220 120.400 0.032 0.000 2.752 247 D HA 0.127 4.702 4.640 -0.109 0.000 0.313 247 D C 0.296 176.604 176.300 0.014 0.000 1.225 247 D CA -0.865 53.144 54.000 0.016 0.000 0.976 247 D CB 0.434 41.237 40.800 0.005 0.000 1.443 247 D HN -0.016 nan 8.370 nan 0.000 0.515 248 E N -0.763 119.439 120.200 0.003 0.000 2.340 248 E HA 0.103 4.388 4.350 -0.109 0.000 0.194 248 E C -0.556 176.038 176.600 -0.011 0.000 0.996 248 E CA 0.254 56.653 56.400 -0.002 0.000 0.869 248 E CB 0.050 29.748 29.700 -0.004 0.000 0.835 248 E HN 0.366 nan 8.360 nan 0.000 0.493 249 D N -0.093 120.298 120.400 -0.014 0.000 2.372 249 D HA 0.140 4.715 4.640 -0.109 0.000 0.243 249 D C -0.557 175.721 176.300 -0.036 0.000 1.121 249 D CA 0.208 54.195 54.000 -0.022 0.000 0.898 249 D CB 1.474 42.260 40.800 -0.023 0.000 1.202 249 D HN -0.132 nan 8.370 nan 0.000 0.428 250 S N -0.013 115.664 115.700 -0.039 0.000 2.521 250 S HA 0.595 5.000 4.470 -0.109 0.000 0.295 250 S C -0.999 173.575 174.600 -0.043 0.000 1.098 250 S CA -0.553 57.613 58.200 -0.056 0.000 0.999 250 S CB 1.017 64.186 63.200 -0.052 0.000 1.034 250 S HN 0.304 nan 8.310 nan 0.000 0.483 251 T N 4.389 118.904 114.554 -0.065 0.000 2.879 251 T HA 0.540 4.825 4.350 -0.109 0.000 0.290 251 T C -1.650 173.016 174.700 -0.056 0.000 0.993 251 T CA -0.384 61.678 62.100 -0.062 0.000 0.975 251 T CB 1.193 70.000 68.868 -0.102 0.000 0.981 251 T HN 0.414 nan 8.240 nan 0.000 0.439 252 L N 5.145 126.358 121.223 -0.016 0.000 2.415 252 L HA 0.629 4.904 4.340 -0.109 0.000 0.268 252 L C -1.880 175.004 176.870 0.023 0.000 0.984 252 L CA -0.867 53.955 54.840 -0.031 0.000 0.853 252 L CB 0.997 43.005 42.059 -0.084 0.000 1.215 252 L HN 0.415 nan 8.230 nan 0.000 0.419 253 L N 4.150 125.355 121.223 -0.030 0.000 2.313 253 L HA 0.731 5.005 4.340 -0.109 0.000 0.283 253 L C 0.085 176.921 176.870 -0.058 0.000 1.013 253 L CA -0.135 54.669 54.840 -0.059 0.000 0.816 253 L CB 1.574 43.618 42.059 -0.025 0.000 1.236 253 L HN 0.772 nan 8.230 nan 0.000 0.419 254 S N 2.124 117.691 115.700 -0.222 0.000 2.542 254 S HA 0.885 5.290 4.470 -0.109 0.000 0.293 254 S C -0.868 173.527 174.600 -0.341 0.000 1.089 254 S CA -0.673 57.469 58.200 -0.098 0.000 0.961 254 S CB 1.833 65.010 63.200 -0.038 0.000 1.062 254 S HN 0.188 nan 8.310 nan 0.000 0.483 255 F N -0.126 119.997 119.950 0.288 0.000 2.601 255 F HA 0.790 5.250 4.527 -0.111 0.000 0.309 255 F C -0.018 175.896 175.800 0.189 0.000 1.089 255 F CA -0.847 57.274 58.000 0.201 0.000 0.940 255 F CB 2.373 41.435 39.000 0.104 0.000 1.273 255 F HN 0.948 nan 8.300 nan 0.000 0.450 256 A N 1.838 124.822 122.820 0.274 0.000 2.335 256 A HA 0.623 4.877 4.320 -0.109 0.000 0.304 256 A C -0.458 177.214 177.584 0.146 0.000 1.118 256 A CA -0.845 51.274 52.037 0.136 0.000 0.757 256 A CB 0.430 19.452 19.000 0.037 0.000 1.188 256 A HN 0.829 nan 8.150 nan 0.000 0.460 257 N N 0.995 119.763 118.700 0.113 0.000 2.707 257 N HA -0.240 4.434 4.740 -0.109 0.000 0.253 257 N C 0.849 176.165 175.510 -0.324 0.000 0.998 257 N CA 2.115 55.200 53.050 0.059 0.000 0.751 257 N CB -1.137 37.464 38.487 0.190 0.000 0.920 257 N HN 2.048 nan 8.380 nan 0.000 0.539 258 A N -3.524 119.111 122.820 -0.309 0.000 3.153 258 A HA -0.256 3.999 4.320 -0.109 0.000 0.265 258 A C 0.535 178.060 177.584 -0.099 0.000 1.212 258 A CA 1.430 53.191 52.037 -0.460 0.000 1.018 258 A CB -2.183 16.069 19.000 -1.247 0.000 1.130 258 A HN 1.332 nan 8.150 nan 0.000 0.873 259 V N -2.751 117.202 119.914 0.066 0.000 2.483 259 V HA 0.767 4.821 4.120 -0.109 0.000 0.295 259 V C 0.433 176.625 176.094 0.163 0.000 1.035 259 V CA -0.941 61.425 62.300 0.110 0.000 0.896 259 V CB 1.506 33.353 31.823 0.041 0.000 0.986 259 V HN 0.490 nan 8.190 nan 0.000 0.447 260 R N 2.298 122.817 120.500 0.030 0.000 2.543 260 R HA 0.457 4.732 4.340 -0.109 0.000 0.277 260 R C 0.135 176.361 176.300 -0.124 0.000 1.074 260 R CA 0.414 56.363 56.100 -0.252 0.000 1.076 260 R CB 1.044 31.133 30.300 -0.351 0.000 0.993 260 R HN 1.026 nan 8.270 nan 0.000 0.459 261 T N 0.562 115.041 114.554 -0.124 0.000 3.149 261 T HA 0.141 4.425 4.350 -0.109 0.000 0.373 261 T C 1.290 175.876 174.700 -0.191 0.000 1.364 261 T CA -0.810 61.279 62.100 -0.017 0.000 1.110 261 T CB 0.794 69.788 68.868 0.210 0.000 1.127 261 T HN 0.463 nan 8.240 nan 0.000 0.576 262 V N 0.590 120.375 119.914 -0.216 0.000 2.867 262 V HA 0.045 4.100 4.120 -0.109 0.000 0.260 262 V C 1.559 177.375 176.094 -0.463 0.000 1.099 262 V CA 0.737 62.849 62.300 -0.313 0.000 1.122 262 V CB -0.966 30.751 31.823 -0.176 0.000 0.708 262 V HN 0.748 nan 8.190 nan 0.000 0.490 263 R N -1.281 119.020 120.500 -0.332 0.000 2.586 263 R HA 0.302 4.576 4.340 -0.109 0.000 0.336 263 R C 0.430 176.637 176.300 -0.156 0.000 1.060 263 R CA -0.076 55.862 56.100 -0.269 0.000 1.079 263 R CB -0.058 30.189 30.300 -0.087 0.000 1.317 263 R HN 0.661 nan 8.270 nan 0.000 0.568 264 H N -0.510 118.579 119.070 0.031 0.000 1.452 264 H HA -0.266 4.225 4.556 -0.108 0.000 0.090 264 H C 0.917 176.346 175.328 0.167 0.000 0.630 264 H CA 1.163 57.224 56.048 0.022 0.000 1.901 264 H CB -1.574 28.120 29.762 -0.113 0.000 2.257 264 H HN 0.433 nan 8.280 nan 0.000 0.961 265 G N -0.805 108.134 108.800 0.232 0.000 2.297 265 G HA2 0.315 4.209 3.960 -0.109 0.000 0.209 265 G HA3 0.315 4.209 3.960 -0.109 0.000 0.209 265 G C 0.736 175.756 174.900 0.201 0.000 1.267 265 G CA 1.717 46.937 45.100 0.199 0.000 1.127 265 G HN 1.344 nan 8.290 nan 0.000 0.498 266 A N -0.611 122.312 122.820 0.172 0.000 1.933 266 A HA 0.071 4.326 4.320 -0.109 0.000 0.218 266 A C 1.914 179.572 177.584 0.123 0.000 1.175 266 A CA 2.576 54.662 52.037 0.082 0.000 0.628 266 A CB -1.226 17.782 19.000 0.013 0.000 0.814 266 A HN 1.498 nan 8.150 nan 0.000 0.444 267 H N -2.282 116.763 119.070 -0.040 0.000 2.321 267 H HA -0.023 4.468 4.556 -0.108 0.000 0.300 267 H C 1.798 177.102 175.328 -0.041 0.000 1.087 267 H CA 1.089 57.120 56.048 -0.029 0.000 1.319 267 H CB -0.472 29.291 29.762 0.002 0.000 1.379 267 H HN 0.142 nan 8.280 nan 0.000 0.501 268 V N 1.448 121.178 119.914 -0.307 0.000 2.307 268 V HA -0.187 3.868 4.120 -0.109 0.000 0.245 268 V C 2.511 178.435 176.094 -0.284 0.000 1.045 268 V CA 1.674 63.749 62.300 -0.374 0.000 1.024 268 V CB -0.369 31.163 31.823 -0.484 0.000 0.651 268 V HN 0.353 nan 8.190 nan 0.000 0.449 269 K N 0.393 120.675 120.400 -0.196 0.000 2.103 269 K HA -0.139 4.115 4.320 -0.109 0.000 0.207 269 K C 2.227 178.735 176.600 -0.153 0.000 1.048 269 K CA 1.476 57.648 56.287 -0.192 0.000 0.930 269 K CB -0.874 31.556 32.500 -0.116 0.000 0.716 269 K HN 0.558 nan 8.250 nan 0.000 0.444 270 G N 0.954 109.693 108.800 -0.101 0.000 2.469 270 G HA2 -0.229 3.666 3.960 -0.109 0.000 0.219 270 G HA3 -0.229 3.666 3.960 -0.109 0.000 0.219 270 G C 1.650 176.513 174.900 -0.063 0.000 1.150 270 G CA 0.960 46.012 45.100 -0.080 0.000 0.763 270 G HN 0.142 nan 8.290 nan 0.000 0.561 271 V N 1.476 121.350 119.914 -0.067 0.000 2.323 271 V HA -0.148 3.907 4.120 -0.109 0.000 0.244 271 V C 3.327 179.383 176.094 -0.064 0.000 1.041 271 V CA 2.428 64.736 62.300 0.014 0.000 1.025 271 V CB -0.885 30.960 31.823 0.037 0.000 0.656 271 V HN 0.653 nan 8.190 nan 0.000 0.451 272 T N -2.552 111.818 114.554 -0.307 0.000 2.867 272 T HA -0.205 4.080 4.350 -0.109 0.000 0.268 272 T C 1.847 176.427 174.700 -0.201 0.000 1.057 272 T CA 1.009 62.809 62.100 -0.499 0.000 1.136 272 T CB -0.262 67.922 68.868 -1.140 0.000 0.874 272 T HN 0.337 nan 8.240 nan 0.000 0.466 273 Q N 1.193 120.899 119.800 -0.157 0.000 2.079 273 Q HA 0.126 4.401 4.340 -0.109 0.000 0.200 273 Q C 2.793 178.761 176.000 -0.053 0.000 0.974 273 Q CA 1.707 57.462 55.803 -0.081 0.000 0.840 273 Q CB -0.890 27.802 28.738 -0.077 0.000 0.898 273 Q HN 0.732 nan 8.270 nan 0.000 0.430 274 A N 0.770 123.570 122.820 -0.033 0.000 1.902 274 A HA -0.163 4.091 4.320 -0.109 0.000 0.217 274 A C 2.109 179.647 177.584 -0.077 0.000 1.181 274 A CA 1.340 53.393 52.037 0.026 0.000 0.623 274 A CB -0.568 18.524 19.000 0.153 0.000 0.818 274 A HN 0.323 nan 8.150 nan 0.000 0.443 275 L N -0.297 120.754 121.223 -0.287 0.000 2.044 275 L HA -0.025 4.250 4.340 -0.109 0.000 0.205 275 L C 2.395 179.092 176.870 -0.288 0.000 1.075 275 L CA 1.806 56.259 54.840 -0.645 0.000 0.747 275 L CB -0.693 41.016 42.059 -0.583 0.000 0.903 275 L HN 0.325 nan 8.230 nan 0.000 0.435 276 R N -0.590 119.865 120.500 -0.075 0.000 2.127 276 R HA -0.126 4.149 4.340 -0.109 0.000 0.238 276 R C 2.103 178.359 176.300 -0.073 0.000 1.134 276 R CA 1.178 57.272 56.100 -0.012 0.000 0.975 276 R CB -0.825 29.550 30.300 0.125 0.000 0.865 276 R HN 0.599 nan 8.270 nan 0.000 0.447 277 G N 0.157 108.915 108.800 -0.071 0.000 2.430 277 G HA2 -0.150 3.744 3.960 -0.109 0.000 0.216 277 G HA3 -0.150 3.744 3.960 -0.109 0.000 0.216 277 G C 1.481 176.330 174.900 -0.085 0.000 1.146 277 G CA 0.565 45.634 45.100 -0.052 0.000 0.793 277 G HN 0.380 nan 8.290 nan 0.000 0.537 278 A N 0.697 123.441 122.820 -0.126 0.000 1.898 278 A HA 0.149 4.403 4.320 -0.109 0.000 0.216 278 A C 2.401 179.862 177.584 -0.206 0.000 1.181 278 A CA 1.044 53.011 52.037 -0.116 0.000 0.620 278 A CB -0.375 18.577 19.000 -0.080 0.000 0.819 278 A HN 0.332 nan 8.150 nan 0.000 0.442 279 L N -0.701 120.300 121.223 -0.370 0.000 2.017 279 L HA -0.194 4.081 4.340 -0.109 0.000 0.208 279 L C 3.148 179.688 176.870 -0.549 0.000 1.073 279 L CA 1.079 55.524 54.840 -0.658 0.000 0.745 279 L CB -0.746 40.587 42.059 -1.210 0.000 0.894 279 L HN 0.431 nan 8.230 nan 0.000 0.432 280 A N 0.435 123.075 122.820 -0.301 0.000 1.884 280 A HA -0.276 3.978 4.320 -0.109 0.000 0.219 280 A C 2.350 179.956 177.584 0.037 0.000 1.197 280 A CA 2.169 54.248 52.037 0.071 0.000 0.637 280 A CB -0.493 18.573 19.000 0.110 0.000 0.827 280 A HN 0.364 nan 8.150 nan 0.000 0.450 281 K N -0.632 119.754 120.400 -0.024 0.000 2.025 281 K HA -0.023 4.232 4.320 -0.109 0.000 0.207 281 K C 1.996 178.589 176.600 -0.013 0.000 1.049 281 K CA 1.326 57.607 56.287 -0.010 0.000 0.933 281 K CB -0.437 32.052 32.500 -0.018 0.000 0.714 281 K HN 0.490 nan 8.250 nan 0.000 0.438 282 L N 1.383 122.577 121.223 -0.048 0.000 2.042 282 L HA -0.183 4.092 4.340 -0.109 0.000 0.210 282 L C 2.537 179.403 176.870 -0.006 0.000 1.076 282 L CA 1.576 56.392 54.840 -0.041 0.000 0.749 282 L CB -0.543 41.466 42.059 -0.083 0.000 0.893 282 L HN 0.270 nan 8.230 nan 0.000 0.432 283 S N -0.781 114.934 115.700 0.025 0.000 2.562 283 S HA 0.075 4.480 4.470 -0.109 0.000 0.221 283 S C 1.545 176.195 174.600 0.083 0.000 0.975 283 S CA 0.350 58.608 58.200 0.097 0.000 0.918 283 S CB 0.102 63.462 63.200 0.267 0.000 0.772 283 S HN 0.549 nan 8.310 nan 0.000 0.531 284 G N 0.351 109.187 108.800 0.061 0.000 2.179 284 G HA2 -0.289 3.606 3.960 -0.109 0.000 0.257 284 G HA3 -0.289 3.606 3.960 -0.109 0.000 0.257 284 G C -0.056 174.881 174.900 0.062 0.000 1.010 284 G CA 0.705 45.834 45.100 0.048 0.000 0.736 284 G HN 0.632 nan 8.290 nan 0.000 0.513 285 E N -1.250 119.015 120.200 0.109 0.000 2.819 285 E HA 0.776 5.060 4.350 -0.109 0.000 0.241 285 E C 0.520 177.185 176.600 0.109 0.000 0.987 285 E CA -0.021 56.441 56.400 0.103 0.000 1.024 285 E CB 1.070 30.841 29.700 0.119 0.000 1.448 285 E HN 0.102 nan 8.360 nan 0.000 0.484 286 T N -0.748 113.863 114.554 0.095 0.000 2.940 286 T HA 0.300 4.585 4.350 -0.109 0.000 0.288 286 T C 0.760 175.542 174.700 0.137 0.000 1.033 286 T CA -0.410 61.741 62.100 0.084 0.000 1.033 286 T CB 0.855 69.746 68.868 0.039 0.000 1.079 286 T HN 0.362 nan 8.240 nan 0.000 0.496 287 R N 1.553 122.124 120.500 0.117 0.000 2.139 287 R HA -0.104 4.170 4.340 -0.109 0.000 0.243 287 R C 2.277 178.659 176.300 0.136 0.000 1.145 287 R CA 1.629 57.816 56.100 0.145 0.000 0.976 287 R CB -0.661 29.690 30.300 0.085 0.000 0.866 287 R HN 0.785 nan 8.270 nan 0.000 0.449 288 G N 0.234 109.076 108.800 0.070 0.000 2.470 288 G HA2 -0.206 3.689 3.960 -0.109 0.000 0.220 288 G HA3 -0.206 3.689 3.960 -0.109 0.000 0.220 288 G C 1.421 176.308 174.900 -0.022 0.000 1.121 288 G CA 0.665 45.783 45.100 0.031 0.000 0.766 288 G HN 0.403 nan 8.290 nan 0.000 0.553 289 A N -0.062 122.718 122.820 -0.067 0.000 2.067 289 A HA 0.329 4.583 4.320 -0.109 0.000 0.219 289 A C 0.622 177.878 177.584 -0.547 0.000 1.158 289 A CA 0.338 52.192 52.037 -0.305 0.000 0.661 289 A CB -0.173 18.599 19.000 -0.381 0.000 0.801 289 A HN 0.247 nan 8.150 nan 0.000 0.452 290 F N 1.028 120.977 119.950 -0.002 0.000 2.389 290 F HA 0.309 4.772 4.527 -0.107 0.000 0.327 290 F C -2.361 173.460 175.800 0.034 0.000 1.204 290 F CA -2.961 55.038 58.000 -0.001 0.000 1.209 290 F CB 0.991 39.986 39.000 -0.008 0.000 1.460 290 F HN 0.021 nan 8.300 nan 0.000 0.537 291 P HA -0.125 nan 4.420 nan 0.000 0.272 291 P C 0.920 178.325 177.300 0.174 0.000 1.223 291 P CA -0.224 62.958 63.100 0.136 0.000 0.784 291 P CB 1.182 32.920 31.700 0.064 0.000 0.923 292 W N 2.963 124.287 121.300 0.040 0.000 2.363 292 W HA -0.179 4.416 4.660 -0.110 0.000 0.296 292 W C 1.759 178.299 176.519 0.036 0.000 1.212 292 W CA 1.730 59.094 57.345 0.032 0.000 1.260 292 W CB -0.548 28.911 29.460 -0.001 0.000 1.131 292 W HN 0.431 nan 8.180 nan 0.000 0.530 293 A N 0.978 123.795 122.820 -0.005 0.000 1.986 293 A HA -0.219 4.036 4.320 -0.109 0.000 0.220 293 A C 2.016 179.511 177.584 -0.148 0.000 1.171 293 A CA 2.183 54.169 52.037 -0.084 0.000 0.640 293 A CB -0.896 18.109 19.000 0.009 0.000 0.811 293 A HN 0.235 nan 8.150 nan 0.000 0.451 294 R N -1.557 118.878 120.500 -0.109 0.000 2.057 294 R HA -0.001 4.274 4.340 -0.109 0.000 0.224 294 R C 2.302 178.529 176.300 -0.121 0.000 1.136 294 R CA 1.158 57.208 56.100 -0.084 0.000 0.968 294 R CB -1.510 28.768 30.300 -0.036 0.000 0.863 294 R HN 0.481 nan 8.270 nan 0.000 0.433 295 V N 1.092 120.909 119.914 -0.161 0.000 2.380 295 V HA -0.212 3.843 4.120 -0.109 0.000 0.251 295 V C 2.451 178.367 176.094 -0.296 0.000 1.063 295 V CA 2.065 64.246 62.300 -0.199 0.000 1.055 295 V CB -0.865 30.823 31.823 -0.226 0.000 0.657 295 V HN 0.589 nan 8.190 nan 0.000 0.455 296 A N -1.351 121.055 122.820 -0.690 0.000 2.238 296 A HA 0.056 4.310 4.320 -0.109 0.000 0.208 296 A C 1.119 178.562 177.584 -0.235 0.000 1.177 296 A CA -0.036 51.613 52.037 -0.648 0.000 0.804 296 A CB -0.364 18.026 19.000 -1.017 0.000 0.823 296 A HN 0.609 nan 8.150 nan 0.000 0.482 297 Q N -0.698 119.035 119.800 -0.111 0.000 2.255 297 Q HA 0.352 4.626 4.340 -0.109 0.000 0.280 297 Q C 1.230 177.273 176.000 0.071 0.000 1.068 297 Q CA 0.853 56.642 55.803 -0.025 0.000 0.911 297 Q CB 0.227 28.957 28.738 -0.013 0.000 1.157 297 Q HN 0.735 nan 8.270 nan 0.000 0.380 298 G N 2.384 111.201 108.800 0.030 0.000 2.189 298 G HA2 -0.292 3.602 3.960 -0.109 0.000 0.267 298 G HA3 -0.292 3.602 3.960 -0.109 0.000 0.267 298 G C -0.302 174.594 174.900 -0.006 0.000 0.975 298 G CA 0.163 45.298 45.100 0.059 0.000 0.644 298 G HN 0.482 nan 8.290 nan 0.000 0.537 299 L N 2.179 123.308 121.223 -0.157 0.000 2.290 299 L HA 0.689 4.963 4.340 -0.109 0.000 0.284 299 L C 0.287 176.978 176.870 -0.298 0.000 1.078 299 L CA 0.016 54.569 54.840 -0.478 0.000 0.815 299 L CB 1.206 42.858 42.059 -0.678 0.000 1.162 299 L HN 0.065 nan 8.230 nan 0.000 0.435 300 T N 5.614 119.989 114.554 -0.298 0.000 2.756 300 T HA 0.782 5.067 4.350 -0.109 0.000 0.290 300 T C -0.303 174.256 174.700 -0.236 0.000 0.985 300 T CA -0.276 61.691 62.100 -0.223 0.000 0.955 300 T CB 0.915 69.666 68.868 -0.195 0.000 0.930 300 T HN 0.811 nan 8.240 nan 0.000 0.451 301 A N 4.118 126.834 122.820 -0.173 0.000 2.386 301 A HA 0.890 5.144 4.320 -0.109 0.000 0.311 301 A C -0.818 176.718 177.584 -0.080 0.000 1.068 301 A CA -0.771 51.198 52.037 -0.113 0.000 0.743 301 A CB 0.921 19.896 19.000 -0.042 0.000 1.258 301 A HN 0.838 nan 8.150 nan 0.000 0.429 302 I N 1.804 122.357 120.570 -0.029 0.000 2.533 302 I HA 0.498 4.603 4.170 -0.109 0.000 0.290 302 I C -1.089 175.094 176.117 0.110 0.000 1.056 302 I CA -0.910 60.415 61.300 0.042 0.000 1.057 302 I CB 2.310 40.331 38.000 0.034 0.000 1.240 302 I HN 0.294 nan 8.210 nan 0.000 0.423 303 V N 4.940 124.937 119.914 0.139 0.000 2.482 303 V HA 0.744 4.798 4.120 -0.109 0.000 0.295 303 V C -0.246 176.012 176.094 0.273 0.000 1.026 303 V CA -0.471 61.907 62.300 0.129 0.000 0.856 303 V CB 1.622 33.418 31.823 -0.045 0.000 1.001 303 V HN 0.821 nan 8.190 nan 0.000 0.424 304 A N 4.402 127.392 122.820 0.285 0.000 2.335 304 A HA 0.860 5.115 4.320 -0.109 0.000 0.304 304 A C -0.962 176.757 177.584 0.226 0.000 1.118 304 A CA -0.612 51.625 52.037 0.333 0.000 0.757 304 A CB 1.869 21.007 19.000 0.230 0.000 1.188 304 A HN 0.858 nan 8.150 nan 0.000 0.460 305 V N 2.835 122.889 119.914 0.232 0.000 2.667 305 V HA 0.894 4.948 4.120 -0.109 0.000 0.308 305 V C -0.014 176.136 176.094 0.093 0.000 1.048 305 V CA 0.416 62.778 62.300 0.104 0.000 0.928 305 V CB 2.063 33.913 31.823 0.044 0.000 1.004 305 V HN 1.588 nan 8.190 nan 0.000 0.444 306 S N 3.834 119.578 115.700 0.073 0.000 2.579 306 S HA 1.026 5.431 4.470 -0.109 0.000 0.272 306 S C -0.443 174.192 174.600 0.059 0.000 1.141 306 S CA -0.046 58.221 58.200 0.111 0.000 0.843 306 S CB 1.819 65.132 63.200 0.188 0.000 1.122 306 S HN 1.990 nan 8.310 nan 0.000 0.468 307 G N 0.159 108.997 108.800 0.062 0.000 2.320 307 G HA2 0.546 4.441 3.960 -0.109 0.000 0.296 307 G HA3 0.546 4.441 3.960 -0.109 0.000 0.296 307 G C -3.661 171.254 174.900 0.025 0.000 1.306 307 G CA -0.799 44.313 45.100 0.021 0.000 0.836 307 G HN 0.653 nan 8.290 nan 0.000 0.517 308 P HA 0.157 nan 4.420 nan 0.000 0.264 308 P C 0.965 178.281 177.300 0.026 0.000 1.183 308 P CA 0.011 63.117 63.100 0.009 0.000 0.763 308 P CB 0.559 32.253 31.700 -0.010 0.000 0.807 309 R N 3.166 123.695 120.500 0.047 0.000 2.117 309 R HA -0.228 4.046 4.340 -0.109 0.000 0.243 309 R C 2.230 178.561 176.300 0.052 0.000 1.143 309 R CA 1.875 58.015 56.100 0.067 0.000 0.968 309 R CB -0.378 29.965 30.300 0.073 0.000 0.863 309 R HN 0.582 nan 8.270 nan 0.000 0.444 310 R N 0.627 121.148 120.500 0.034 0.000 2.152 310 R HA -0.131 4.143 4.340 -0.109 0.000 0.232 310 R C 1.661 177.962 176.300 0.003 0.000 1.117 310 R CA 1.373 57.486 56.100 0.022 0.000 0.981 310 R CB -0.300 30.009 30.300 0.015 0.000 0.870 310 R HN 0.291 nan 8.270 nan 0.000 0.451 311 Q N 0.019 119.812 119.800 -0.011 0.000 2.432 311 Q HA 0.130 4.405 4.340 -0.109 0.000 0.205 311 Q C -0.032 175.925 176.000 -0.072 0.000 0.945 311 Q CA 0.181 55.962 55.803 -0.037 0.000 0.924 311 Q CB 0.303 29.016 28.738 -0.042 0.000 1.016 311 Q HN 0.289 nan 8.270 nan 0.000 0.503 312 M N 0.993 120.549 119.600 -0.074 0.000 2.220 312 M HA 0.290 4.705 4.480 -0.109 0.000 0.343 312 M C -0.420 175.695 176.300 -0.307 0.000 1.470 312 M CA -0.002 55.169 55.300 -0.215 0.000 1.161 312 M CB 0.265 32.814 32.600 -0.084 0.000 1.737 312 M HN -0.076 nan 8.290 nan 0.000 0.464 313 A N 4.644 127.172 122.820 -0.486 0.000 2.355 313 A HA 0.916 5.170 4.320 -0.109 0.000 0.317 313 A C -1.243 176.016 177.584 -0.542 0.000 1.094 313 A CA -0.531 51.315 52.037 -0.318 0.000 0.764 313 A CB 1.164 20.085 19.000 -0.132 0.000 1.230 313 A HN 0.647 nan 8.150 nan 0.000 0.448 314 F N 0.370 120.313 119.950 -0.012 0.000 2.598 314 F HA 0.599 5.060 4.527 -0.109 0.000 0.327 314 F C 1.363 177.160 175.800 -0.006 0.000 1.057 314 F CA -0.002 57.990 58.000 -0.013 0.000 0.957 314 F CB 2.159 41.151 39.000 -0.013 0.000 1.278 314 F HN 0.629 nan 8.300 nan 0.000 0.484 315 A N 0.635 123.567 122.820 0.187 0.000 2.066 315 A HA 0.478 4.732 4.320 -0.109 0.000 0.218 315 A C 0.900 178.537 177.584 0.088 0.000 1.157 315 A CA 1.415 53.513 52.037 0.101 0.000 0.670 315 A CB -0.766 18.280 19.000 0.077 0.000 0.804 315 A HN 0.960 nan 8.150 nan 0.000 0.453 316 G N -2.462 106.403 108.800 0.109 0.000 2.554 316 G HA2 0.439 4.333 3.960 -0.109 0.000 0.306 316 G HA3 0.439 4.333 3.960 -0.109 0.000 0.306 316 G C -2.529 172.391 174.900 0.034 0.000 1.320 316 G CA 0.129 45.264 45.100 0.058 0.000 0.800 316 G HN -0.146 nan 8.290 nan 0.000 0.481 317 P HA -0.003 nan 4.420 nan 0.000 0.226 317 P C 1.808 179.062 177.300 -0.077 0.000 1.153 317 P CA 1.895 64.973 63.100 -0.037 0.000 0.777 317 P CB -0.047 31.635 31.700 -0.031 0.000 0.794 318 T N -2.809 111.703 114.554 -0.070 0.000 2.995 318 T HA -0.041 4.244 4.350 -0.109 0.000 0.269 318 T C 1.092 175.688 174.700 -0.173 0.000 1.091 318 T CA 0.452 62.499 62.100 -0.088 0.000 1.128 318 T CB -0.914 67.919 68.868 -0.057 0.000 0.891 318 T HN 0.114 nan 8.240 nan 0.000 0.492 319 K N 0.564 120.804 120.400 -0.266 0.000 3.088 319 K HA -0.213 4.042 4.320 -0.109 0.000 0.273 319 K C 0.613 177.010 176.600 -0.338 0.000 1.111 319 K CA 1.131 57.010 56.287 -0.680 0.000 0.803 319 K CB -1.522 30.304 32.500 -1.123 0.000 1.226 319 K HN 0.611 nan 8.250 nan 0.000 0.485 320 E N 0.112 120.260 120.200 -0.087 0.000 2.447 320 E HA 0.105 4.390 4.350 -0.109 0.000 0.195 320 E C 0.204 176.844 176.600 0.067 0.000 1.028 320 E CA 0.277 56.661 56.400 -0.027 0.000 0.876 320 E CB 0.372 30.043 29.700 -0.048 0.000 0.885 320 E HN 0.286 nan 8.360 nan 0.000 0.500 321 L N 1.682 123.009 121.223 0.174 0.000 2.404 321 L HA 0.320 4.594 4.340 -0.109 0.000 0.272 321 L C -1.293 175.729 176.870 0.253 0.000 0.980 321 L CA -0.920 54.029 54.840 0.182 0.000 0.836 321 L CB 1.353 43.474 42.059 0.103 0.000 1.238 321 L HN -0.020 nan 8.230 nan 0.000 0.408 322 L N 5.221 126.541 121.223 0.162 0.000 2.410 322 L HA 0.619 4.893 4.340 -0.109 0.000 0.273 322 L C -0.016 176.803 176.870 -0.085 0.000 1.152 322 L CA 0.531 55.298 54.840 -0.122 0.000 0.855 322 L CB 1.270 43.098 42.059 -0.385 0.000 1.129 322 L HN 0.711 nan 8.230 nan 0.000 0.463 323 A N 7.202 129.930 122.820 -0.152 0.000 2.855 323 A HA 0.548 4.803 4.320 -0.109 0.000 0.313 323 A C -0.784 176.743 177.584 -0.094 0.000 1.173 323 A CA -0.336 51.658 52.037 -0.072 0.000 0.753 323 A CB -0.115 18.875 19.000 -0.015 0.000 1.200 323 A HN 0.600 nan 8.150 nan 0.000 0.442 324 I N 2.930 123.452 120.570 -0.080 0.000 2.330 324 I HA 0.306 4.411 4.170 -0.109 0.000 0.289 324 I C -2.283 173.856 176.117 0.036 0.000 1.001 324 I CA -2.213 59.070 61.300 -0.028 0.000 1.193 324 I CB 2.085 40.077 38.000 -0.013 0.000 1.345 324 I HN 0.332 nan 8.210 nan 0.000 0.461 325 P HA 0.100 nan 4.420 nan 0.000 0.264 325 P C 0.899 178.281 177.300 0.138 0.000 1.193 325 P CA 0.591 63.732 63.100 0.068 0.000 0.763 325 P CB 0.709 32.448 31.700 0.064 0.000 0.810 326 G N 1.987 110.828 108.800 0.068 0.000 2.284 326 G HA2 -0.350 3.545 3.960 -0.109 0.000 0.247 326 G HA3 -0.350 3.545 3.960 -0.109 0.000 0.247 326 G C 0.768 175.492 174.900 -0.292 0.000 1.012 326 G CA 0.366 45.486 45.100 0.035 0.000 0.618 326 G HN 0.560 nan 8.290 nan 0.000 0.521 327 L N 1.447 122.542 121.223 -0.214 0.000 2.017 327 L HA 0.161 4.436 4.340 -0.109 0.000 0.208 327 L C 2.526 179.191 176.870 -0.341 0.000 1.073 327 L CA 3.197 57.798 54.840 -0.397 0.000 0.745 327 L CB -0.599 41.430 42.059 -0.051 0.000 0.894 327 L HN 0.569 nan 8.230 nan 0.000 0.432 328 E N -0.981 119.110 120.200 -0.183 0.000 2.058 328 E HA -0.257 4.027 4.350 -0.109 0.000 0.194 328 E C 1.956 178.450 176.600 -0.177 0.000 0.997 328 E CA 1.362 57.679 56.400 -0.137 0.000 0.801 328 E CB -0.067 29.582 29.700 -0.085 0.000 0.746 328 E HN 0.489 nan 8.360 nan 0.000 0.450 329 E N 0.137 120.217 120.200 -0.200 0.000 2.107 329 E HA -0.114 4.171 4.350 -0.109 0.000 0.191 329 E C 1.926 178.362 176.600 -0.273 0.000 0.982 329 E CA 0.928 57.215 56.400 -0.188 0.000 0.809 329 E CB -0.227 29.392 29.700 -0.134 0.000 0.756 329 E HN 0.384 nan 8.360 nan 0.000 0.459 330 A N 1.119 123.644 122.820 -0.491 0.000 1.908 330 A HA -0.173 4.081 4.320 -0.109 0.000 0.218 330 A C 2.324 179.663 177.584 -0.409 0.000 1.181 330 A CA 1.267 52.887 52.037 -0.695 0.000 0.627 330 A CB -0.636 17.266 19.000 -1.830 0.000 0.818 330 A HN 0.203 nan 8.150 nan 0.000 0.445 331 I N -1.361 119.043 120.570 -0.277 0.000 2.202 331 I HA -0.219 3.885 4.170 -0.109 0.000 0.242 331 I C 2.745 178.779 176.117 -0.139 0.000 1.091 331 I CA 1.487 62.760 61.300 -0.045 0.000 1.368 331 I CB -0.367 37.651 38.000 0.030 0.000 1.058 331 I HN 0.353 nan 8.210 nan 0.000 0.410 332 R N 1.527 121.944 120.500 -0.139 0.000 2.091 332 R HA -0.205 4.069 4.340 -0.109 0.000 0.238 332 R C 2.257 178.476 176.300 -0.136 0.000 1.136 332 R CA 1.696 57.728 56.100 -0.113 0.000 0.959 332 R CB -0.057 30.187 30.300 -0.093 0.000 0.856 332 R HN 0.290 nan 8.270 nan 0.000 0.437 333 K N -0.101 120.204 120.400 -0.159 0.000 2.057 333 K HA -0.215 4.040 4.320 -0.109 0.000 0.207 333 K C 2.196 178.675 176.600 -0.201 0.000 1.049 333 K CA 1.673 57.870 56.287 -0.150 0.000 0.931 333 K CB -0.095 32.326 32.500 -0.131 0.000 0.714 333 K HN 0.100 nan 8.250 nan 0.000 0.440 334 Q N 0.950 120.570 119.800 -0.300 0.000 2.079 334 Q HA -0.059 4.215 4.340 -0.109 0.000 0.200 334 Q C 1.696 177.398 176.000 -0.497 0.000 0.974 334 Q CA 1.446 56.971 55.803 -0.463 0.000 0.840 334 Q CB 0.102 28.323 28.738 -0.862 0.000 0.898 334 Q HN 0.269 nan 8.270 nan 0.000 0.430 335 L N -0.513 120.423 121.223 -0.477 0.000 2.354 335 L HA 0.064 4.339 4.340 -0.109 0.000 0.212 335 L C 2.488 179.204 176.870 -0.257 0.000 1.091 335 L CA 0.567 55.046 54.840 -0.603 0.000 0.828 335 L CB -0.365 41.291 42.059 -0.672 0.000 0.973 335 L HN 0.337 nan 8.230 nan 0.000 0.461 336 Q N 0.954 120.707 119.800 -0.078 0.000 2.061 336 Q HA -0.176 4.099 4.340 -0.109 0.000 0.204 336 Q C -0.659 175.363 176.000 0.038 0.000 0.984 336 Q CA 2.108 57.942 55.803 0.051 0.000 0.846 336 Q CB -0.512 28.227 28.738 0.001 0.000 0.902 336 Q HN 0.296 nan 8.270 nan 0.000 0.421 337 P HA -0.128 nan 4.420 nan 0.000 0.219 337 P C 1.069 178.365 177.300 -0.007 0.000 1.150 337 P CA 1.065 64.153 63.100 -0.020 0.000 0.814 337 P CB -0.067 31.605 31.700 -0.047 0.000 0.787 338 L N -2.308 118.878 121.223 -0.062 0.000 2.093 338 L HA -0.128 4.147 4.340 -0.109 0.000 0.208 338 L C 2.595 179.515 176.870 0.083 0.000 1.085 338 L CA 1.317 56.144 54.840 -0.023 0.000 0.755 338 L CB -0.965 41.032 42.059 -0.102 0.000 0.904 338 L HN -0.142 nan 8.230 nan 0.000 0.435 339 F N 0.302 120.284 119.950 0.053 0.000 2.113 339 F HA -0.186 4.270 4.527 -0.119 0.000 0.297 339 F C 2.382 178.192 175.800 0.017 0.000 1.103 339 F CA 1.198 59.250 58.000 0.087 0.000 1.248 339 F CB -0.480 38.541 39.000 0.035 0.000 0.999 339 F HN -0.095 nan 8.300 nan 0.000 0.475 340 I N -0.168 120.514 120.570 0.187 0.000 2.091 340 I HA -0.347 3.758 4.170 -0.109 0.000 0.239 340 I C 2.519 178.675 176.117 0.064 0.000 1.061 340 I CA 1.998 63.345 61.300 0.078 0.000 1.317 340 I CB -0.457 37.566 38.000 0.038 0.000 1.031 340 I HN 0.088 nan 8.210 nan 0.000 0.401 341 E N 1.369 121.607 120.200 0.062 0.000 2.051 341 E HA -0.255 4.030 4.350 -0.109 0.000 0.192 341 E C 2.164 178.803 176.600 0.065 0.000 0.991 341 E CA 1.406 57.836 56.400 0.050 0.000 0.799 341 E CB -0.431 29.293 29.700 0.039 0.000 0.748 341 E HN 0.469 nan 8.360 nan 0.000 0.449 342 L N -0.094 121.184 121.223 0.091 0.000 2.042 342 L HA -0.147 4.128 4.340 -0.109 0.000 0.210 342 L C 2.123 179.056 176.870 0.104 0.000 1.076 342 L CA 1.471 56.371 54.840 0.100 0.000 0.749 342 L CB -0.150 41.979 42.059 0.116 0.000 0.893 342 L HN 0.249 nan 8.230 nan 0.000 0.432 343 L N -0.779 120.496 121.223 0.087 0.000 2.478 343 L HA -0.046 4.228 4.340 -0.109 0.000 0.223 343 L C 2.658 179.553 176.870 0.041 0.000 1.140 343 L CA 0.279 55.142 54.840 0.040 0.000 0.842 343 L CB -0.362 41.685 42.059 -0.021 0.000 0.953 343 L HN 0.240 nan 8.230 nan 0.000 0.452 344 R N 0.323 120.847 120.500 0.041 0.000 2.097 344 R HA -0.149 4.126 4.340 -0.109 0.000 0.236 344 R C 1.113 177.430 176.300 0.028 0.000 1.135 344 R CA 1.298 57.412 56.100 0.024 0.000 0.934 344 R CB -0.075 30.239 30.300 0.023 0.000 0.846 344 R HN 0.208 nan 8.270 nan 0.000 0.431 345 E N 0.050 120.276 120.200 0.043 0.000 2.496 345 E HA 0.041 4.325 4.350 -0.109 0.000 0.200 345 E C -0.529 176.092 176.600 0.035 0.000 1.016 345 E CA 0.006 56.423 56.400 0.029 0.000 0.962 345 E CB 0.141 29.852 29.700 0.018 0.000 1.071 345 E HN 0.313 nan 8.360 nan 0.000 0.457 346 H N 1.234 120.283 119.070 -0.035 0.000 2.548 346 H HA 0.113 4.702 4.556 0.055 0.000 0.331 346 H C -1.657 173.630 175.328 -0.068 0.000 1.093 346 H CA -1.721 54.295 56.048 -0.053 0.000 1.367 346 H CB 1.756 31.471 29.762 -0.078 0.000 1.455 346 H HN -0.202 nan 8.280 nan 0.000 0.519 347 P HA -0.186 nan 4.420 nan 0.000 0.217 347 P C 1.467 178.760 177.300 -0.012 0.000 1.148 347 P CA 0.698 63.721 63.100 -0.129 0.000 0.828 347 P CB 0.377 31.983 31.700 -0.158 0.000 0.783 348 V N -1.149 118.836 119.914 0.119 0.000 2.951 348 V HA -0.128 3.926 4.120 -0.109 0.000 0.255 348 V C 1.872 177.863 176.094 -0.173 0.000 1.088 348 V CA 2.118 64.399 62.300 -0.032 0.000 1.109 348 V CB -1.205 30.520 31.823 -0.162 0.000 0.724 348 V HN 0.177 nan 8.190 nan 0.000 0.471 349 T N 1.153 115.639 114.554 -0.113 0.000 2.652 349 T HA -0.118 4.167 4.350 -0.109 0.000 0.267 349 T C -0.132 174.489 174.700 -0.132 0.000 1.039 349 T CA 1.961 63.959 62.100 -0.168 0.000 1.153 349 T CB -1.423 67.384 68.868 -0.101 0.000 0.863 349 T HN 0.450 nan 8.240 nan 0.000 0.428 350 P HA -0.085 nan 4.420 nan 0.000 0.216 350 P C 1.596 178.861 177.300 -0.059 0.000 1.153 350 P CA 1.480 64.548 63.100 -0.053 0.000 0.858 350 P CB -0.263 31.416 31.700 -0.035 0.000 0.789 351 A N -0.757 122.014 122.820 -0.082 0.000 1.902 351 A HA -0.172 4.082 4.320 -0.109 0.000 0.217 351 A C 2.223 179.743 177.584 -0.106 0.000 1.181 351 A CA 1.508 53.494 52.037 -0.086 0.000 0.623 351 A CB -1.617 17.327 19.000 -0.094 0.000 0.818 351 A HN 0.119 nan 8.150 nan 0.000 0.443 352 L N -1.303 119.807 121.223 -0.188 0.000 2.093 352 L HA -0.099 4.175 4.340 -0.109 0.000 0.208 352 L C 2.559 179.432 176.870 0.005 0.000 1.085 352 L CA 0.879 55.607 54.840 -0.187 0.000 0.755 352 L CB -0.490 41.331 42.059 -0.398 0.000 0.904 352 L HN 0.359 nan 8.230 nan 0.000 0.435 353 L N 0.022 121.236 121.223 -0.015 0.000 2.131 353 L HA -0.129 4.145 4.340 -0.109 0.000 0.210 353 L C 2.417 179.386 176.870 0.165 0.000 1.092 353 L CA 1.110 56.021 54.840 0.117 0.000 0.759 353 L CB -0.275 41.796 42.059 0.020 0.000 0.903 353 L HN 0.198 nan 8.230 nan 0.000 0.435 354 A N -1.103 121.752 122.820 0.058 0.000 2.252 354 A HA -0.011 4.243 4.320 -0.109 0.000 0.207 354 A C 2.021 179.609 177.584 0.007 0.000 1.194 354 A CA 0.339 52.389 52.037 0.021 0.000 0.809 354 A CB -0.468 18.529 19.000 -0.005 0.000 0.814 354 A HN 0.360 nan 8.150 nan 0.000 0.482 355 R N 0.056 120.584 120.500 0.047 0.000 2.312 355 R HA 0.050 4.324 4.340 -0.109 0.000 0.205 355 R C 1.179 177.412 176.300 -0.113 0.000 0.904 355 R CA -0.179 55.922 56.100 0.001 0.000 1.052 355 R CB 0.102 30.430 30.300 0.047 0.000 1.014 355 R HN 0.659 nan 8.270 nan 0.000 0.503 356 R N 0.000 120.349 120.500 -0.251 0.000 2.786 356 R HA 0.000 4.275 4.340 -0.109 0.000 0.208 356 R CA 0.000 55.745 56.100 -0.591 0.000 0.921 356 R CB 0.000 29.882 30.300 -0.696 0.000 0.687 356 R HN 0.000 nan 8.270 nan 0.000 0.535