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 2r6c_1_E DATA FIRST_RESID 15 DATA SEQUENCE EAEQAVLGAV FLDPAALVPA SEILIPEDFY RAAHQKIFHA MLRVADRGEP DATA SEQUENCE VDLVTVTAEL AASEQLEEIG GVSYLSELAD AVPTAANVEY YARIVEEKSV DATA SEQUENCE LRRLIRTATS IAQDGYTRED EIDVLLDEAD RKIMEXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXIT GIPTGFTELD RMTSGFQRSD LIIVAARPSV DATA SEQUENCE GKTAFALNIA QNVATKTNEN VAIFSLEMSA QQLVMRMLCA EGNINAQNLR DATA SEQUENCE TGKLTPEDWG KLTMAMGSLS NAGIYIDDTP SIRVSDIRAK CRRLKQESGL DATA SEQUENCE GMIVIDYLQL IQXXXXXXXX XXXEVSEISR SLKALARELE VPVIALSQLX DATA SEQUENCE XXXXXXXXXR PMMSDIRESG SIEQDADIVA FLYXXXXXXX XXXXXXXXEI DATA SEQUENCE IIAKQRNGPV GTVQLAFIKE YNKFVNL 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 15 E HA 0.000 nan 4.350 nan 0.000 0.291 15 E C 0.000 176.583 176.600 -0.028 0.000 1.382 15 E CA 0.000 56.429 56.400 0.048 0.000 0.976 15 E CB 0.000 29.725 29.700 0.042 0.000 0.812 16 A N 1.575 124.377 122.820 -0.031 0.000 1.930 16 A HA -0.149 4.171 4.320 0.000 0.000 0.217 16 A C 1.881 179.402 177.584 -0.105 0.000 1.175 16 A CA 1.566 53.533 52.037 -0.118 0.000 0.627 16 A CB -0.336 18.655 19.000 -0.016 0.000 0.815 16 A HN 0.184 nan 8.150 nan 0.000 0.443 17 E N -0.366 119.862 120.200 0.047 0.000 2.038 17 E HA -0.265 4.085 4.350 0.000 0.000 0.195 17 E C 2.316 179.070 176.600 0.256 0.000 1.000 17 E CA 1.608 58.161 56.400 0.256 0.000 0.803 17 E CB -0.217 29.790 29.700 0.511 0.000 0.750 17 E HN 0.721 nan 8.360 nan 0.000 0.448 18 Q N 0.057 119.964 119.800 0.179 0.000 2.077 18 Q HA -0.231 4.110 4.340 0.000 0.000 0.206 18 Q C 2.229 178.186 176.000 -0.071 0.000 0.989 18 Q CA 1.520 57.338 55.803 0.026 0.000 0.853 18 Q CB -0.266 28.497 28.738 0.043 0.000 0.907 18 Q HN 0.264 nan 8.270 nan 0.000 0.418 19 A N 0.273 122.980 122.820 -0.188 0.000 1.884 19 A HA -0.226 4.094 4.320 0.000 0.000 0.219 19 A C 2.333 179.823 177.584 -0.158 0.000 1.197 19 A CA 1.911 53.739 52.037 -0.349 0.000 0.637 19 A CB -1.050 17.291 19.000 -1.099 0.000 0.827 19 A HN 0.247 nan 8.150 nan 0.000 0.450 20 V N 0.217 120.097 119.914 -0.057 0.000 2.233 20 V HA -0.310 3.810 4.120 0.000 0.000 0.247 20 V C 2.618 178.777 176.094 0.107 0.000 1.050 20 V CA 2.200 64.570 62.300 0.117 0.000 1.010 20 V CB -0.934 31.027 31.823 0.231 0.000 0.637 20 V HN 0.602 nan 8.190 nan 0.000 0.444 21 L N 0.318 121.595 121.223 0.090 0.000 1.990 21 L HA -0.166 4.174 4.340 0.000 0.000 0.213 21 L C 2.733 179.520 176.870 -0.138 0.000 1.072 21 L CA 2.064 56.857 54.840 -0.078 0.000 0.755 21 L CB -1.568 40.405 42.059 -0.144 0.000 0.889 21 L HN 0.493 nan 8.230 nan 0.000 0.432 22 G N -0.258 108.532 108.800 -0.016 0.000 2.513 22 G HA2 -0.318 3.642 3.960 0.000 0.000 0.219 22 G HA3 -0.318 3.642 3.960 0.000 0.000 0.219 22 G C 1.729 176.668 174.900 0.064 0.000 1.160 22 G CA 1.067 46.215 45.100 0.079 0.000 0.767 22 G HN 0.512 nan 8.290 nan 0.000 0.571 23 A N -0.250 122.587 122.820 0.028 0.000 2.019 23 A HA 0.156 4.477 4.320 0.000 0.000 0.219 23 A C 2.593 180.183 177.584 0.011 0.000 1.164 23 A CA 1.688 53.754 52.037 0.049 0.000 0.644 23 A CB -0.406 18.650 19.000 0.093 0.000 0.805 23 A HN 0.274 nan 8.150 nan 0.000 0.449 24 V N -1.089 118.778 119.914 -0.077 0.000 2.261 24 V HA -0.222 3.898 4.120 0.000 0.000 0.246 24 V C 2.139 178.142 176.094 -0.151 0.000 1.047 24 V CA 1.942 64.139 62.300 -0.172 0.000 1.015 24 V CB -1.022 30.604 31.823 -0.328 0.000 0.642 24 V HN 0.575 nan 8.190 nan 0.000 0.446 25 F N -0.586 119.350 119.950 -0.023 0.000 2.481 25 F HA -0.120 4.407 4.527 0.000 0.000 0.297 25 F C 1.935 177.723 175.800 -0.020 0.000 1.095 25 F CA 1.061 59.042 58.000 -0.031 0.000 1.465 25 F CB -0.629 38.343 39.000 -0.046 0.000 1.098 25 F HN 0.097 nan 8.300 nan 0.000 0.585 26 L N -1.384 119.914 121.223 0.125 0.000 2.362 26 L HA -0.008 4.332 4.340 0.000 0.000 0.204 26 L C 1.851 178.752 176.870 0.051 0.000 1.060 26 L CA 0.781 55.670 54.840 0.083 0.000 0.827 26 L CB -0.090 42.012 42.059 0.072 0.000 1.027 26 L HN -0.097 nan 8.230 nan 0.000 0.474 27 D N -0.402 120.019 120.400 0.035 0.000 2.323 27 D HA -0.002 4.638 4.640 0.000 0.000 0.218 27 D C -1.081 175.228 176.300 0.015 0.000 0.973 27 D CA 0.360 54.374 54.000 0.025 0.000 0.890 27 D CB -0.217 40.598 40.800 0.025 0.000 1.011 27 D HN 0.171 nan 8.370 nan 0.000 0.499 28 P HA 0.319 nan 4.420 nan 0.000 0.254 28 P C 0.153 177.442 177.300 -0.018 0.000 1.494 28 P CA 0.180 63.273 63.100 -0.012 0.000 0.961 28 P CB 0.455 32.143 31.700 -0.021 0.000 1.493 29 A N 0.502 123.320 122.820 -0.003 0.000 2.264 29 A HA 0.200 4.520 4.320 0.000 0.000 0.207 29 A C 2.044 179.634 177.584 0.010 0.000 1.196 29 A CA 0.998 53.034 52.037 -0.000 0.000 0.778 29 A CB -0.751 18.252 19.000 0.005 0.000 0.779 29 A HN 0.278 nan 8.150 nan 0.000 0.483 30 A N -0.640 122.187 122.820 0.013 0.000 2.066 30 A HA 0.090 4.410 4.320 0.000 0.000 0.218 30 A C 1.912 179.520 177.584 0.041 0.000 1.157 30 A CA 1.285 53.344 52.037 0.036 0.000 0.670 30 A CB -0.350 18.675 19.000 0.041 0.000 0.804 30 A HN 0.600 nan 8.150 nan 0.000 0.453 31 L N 0.062 121.282 121.223 -0.004 0.000 2.056 31 L HA -0.102 4.238 4.340 0.000 0.000 0.207 31 L C 2.350 179.232 176.870 0.019 0.000 1.078 31 L CA 1.834 56.658 54.840 -0.027 0.000 0.749 31 L CB -0.567 41.420 42.059 -0.121 0.000 0.901 31 L HN 0.166 nan 8.230 nan 0.000 0.433 32 V N 0.617 120.539 119.914 0.014 0.000 2.252 32 V HA -0.222 3.899 4.120 0.000 0.000 0.249 32 V C -0.172 175.959 176.094 0.061 0.000 1.056 32 V CA 2.414 64.731 62.300 0.028 0.000 1.022 32 V CB -2.159 29.675 31.823 0.017 0.000 0.641 32 V HN 0.403 nan 8.190 nan 0.000 0.445 33 P HA 0.047 nan 4.420 nan 0.000 0.227 33 P C 1.487 178.862 177.300 0.124 0.000 1.161 33 P CA 1.423 64.574 63.100 0.085 0.000 0.788 33 P CB -0.061 31.684 31.700 0.076 0.000 0.822 34 A N 0.696 123.617 122.820 0.168 0.000 1.898 34 A HA -0.154 4.167 4.320 0.000 0.000 0.216 34 A C 2.329 180.113 177.584 0.333 0.000 1.181 34 A CA 2.246 54.443 52.037 0.265 0.000 0.620 34 A CB -1.504 17.730 19.000 0.390 0.000 0.819 34 A HN 0.337 nan 8.150 nan 0.000 0.442 35 S N -0.441 115.447 115.700 0.312 0.000 2.489 35 S HA -0.035 4.435 4.470 0.000 0.000 0.228 35 S C 1.411 176.117 174.600 0.177 0.000 0.995 35 S CA 0.994 59.378 58.200 0.307 0.000 0.934 35 S CB -0.290 63.009 63.200 0.165 0.000 0.771 35 S HN 0.643 nan 8.310 nan 0.000 0.522 36 E N 0.597 120.871 120.200 0.124 0.000 2.274 36 E HA 0.099 4.449 4.350 0.000 0.000 0.194 36 E C 1.476 178.120 176.600 0.073 0.000 0.996 36 E CA 1.025 57.475 56.400 0.083 0.000 0.840 36 E CB -0.093 29.645 29.700 0.064 0.000 0.772 36 E HN 0.637 nan 8.360 nan 0.000 0.491 37 I N -0.283 120.335 120.570 0.080 0.000 3.718 37 I HA 0.058 4.228 4.170 0.000 0.000 0.297 37 I C 0.418 176.541 176.117 0.009 0.000 1.220 37 I CA 0.069 61.392 61.300 0.038 0.000 1.381 37 I CB 0.669 38.686 38.000 0.028 0.000 1.238 37 I HN -0.095 nan 8.210 nan 0.000 0.448 38 L N 2.644 123.879 121.223 0.021 0.000 2.325 38 L HA 0.528 4.869 4.340 0.000 0.000 0.278 38 L C -0.468 176.444 176.870 0.070 0.000 1.023 38 L CA -0.725 54.069 54.840 -0.075 0.000 0.811 38 L CB 1.924 43.770 42.059 -0.355 0.000 1.249 38 L HN 0.060 nan 8.230 nan 0.000 0.431 39 I N -0.723 119.881 120.570 0.057 0.000 2.648 39 I HA 0.491 4.661 4.170 0.000 0.000 0.304 39 I C -2.089 174.131 176.117 0.172 0.000 1.009 39 I CA -2.332 59.076 61.300 0.179 0.000 1.114 39 I CB 1.494 39.578 38.000 0.141 0.000 1.293 39 I HN 0.294 nan 8.210 nan 0.000 0.449 40 P HA -0.178 nan 4.420 nan 0.000 0.217 40 P C 1.012 178.472 177.300 0.267 0.000 1.151 40 P CA 1.502 64.811 63.100 0.347 0.000 0.849 40 P CB 0.138 32.045 31.700 0.345 0.000 0.787 41 E N -0.629 119.668 120.200 0.162 0.000 2.209 41 E HA -0.177 4.174 4.350 0.000 0.000 0.196 41 E C 1.614 178.272 176.600 0.096 0.000 0.993 41 E CA 1.044 57.509 56.400 0.108 0.000 0.819 41 E CB -0.884 28.855 29.700 0.065 0.000 0.745 41 E HN 0.335 nan 8.360 nan 0.000 0.477 42 D N -0.251 120.179 120.400 0.049 0.000 2.221 42 D HA -0.138 4.502 4.640 0.000 0.000 0.204 42 D C -0.047 176.198 176.300 -0.091 0.000 0.982 42 D CA 0.706 54.667 54.000 -0.065 0.000 0.857 42 D CB -0.155 40.529 40.800 -0.193 0.000 0.934 42 D HN 0.165 nan 8.370 nan 0.000 0.475 43 F N 0.375 120.302 119.950 -0.038 0.000 2.456 43 F HA 0.007 4.535 4.527 0.000 0.000 0.358 43 F C 1.421 177.251 175.800 0.050 0.000 1.095 43 F CA -0.579 57.428 58.000 0.011 0.000 1.216 43 F CB 0.593 39.612 39.000 0.030 0.000 1.125 43 F HN -0.167 nan 8.300 nan 0.000 0.549 44 Y N 3.300 123.656 120.300 0.093 0.000 2.243 44 Y HA 0.116 4.667 4.550 0.000 0.000 0.293 44 Y C 1.260 177.161 175.900 0.000 0.000 1.124 44 Y CA 0.907 59.020 58.100 0.021 0.000 1.159 44 Y CB 0.023 38.470 38.460 -0.021 0.000 1.008 44 Y HN 0.350 nan 8.280 nan 0.000 0.527 45 R N 0.326 120.746 120.500 -0.134 0.000 2.389 45 R HA 0.281 4.621 4.340 0.000 0.000 0.295 45 R C 1.261 177.467 176.300 -0.157 0.000 1.075 45 R CA 0.347 56.264 56.100 -0.304 0.000 1.005 45 R CB 1.081 31.101 30.300 -0.466 0.000 0.987 45 R HN 0.426 nan 8.270 nan 0.000 0.452 46 A N 3.756 126.472 122.820 -0.174 0.000 1.858 46 A HA -0.212 4.108 4.320 0.000 0.000 0.216 46 A C 2.144 179.720 177.584 -0.014 0.000 1.190 46 A CA 1.868 53.855 52.037 -0.084 0.000 0.617 46 A CB -0.737 18.204 19.000 -0.099 0.000 0.827 46 A HN 0.878 nan 8.150 nan 0.000 0.443 47 A N -0.630 122.183 122.820 -0.012 0.000 1.971 47 A HA -0.298 4.022 4.320 0.000 0.000 0.222 47 A C 1.967 179.678 177.584 0.211 0.000 1.182 47 A CA 2.018 54.103 52.037 0.080 0.000 0.649 47 A CB -1.174 17.854 19.000 0.046 0.000 0.818 47 A HN 0.813 nan 8.150 nan 0.000 0.458 48 H N -1.943 117.123 119.070 -0.007 0.000 2.363 48 H HA -0.092 4.464 4.556 0.000 0.000 0.301 48 H C 2.421 177.570 175.328 -0.298 0.000 1.074 48 H CA 1.057 57.026 56.048 -0.133 0.000 1.354 48 H CB -0.019 29.700 29.762 -0.070 0.000 1.397 48 H HN 0.638 nan 8.280 nan 0.000 0.516 49 Q N 1.373 121.169 119.800 -0.007 0.000 2.029 49 Q HA -0.235 4.105 4.340 0.000 0.000 0.209 49 Q C 2.131 178.159 176.000 0.047 0.000 0.999 49 Q CA 2.065 57.877 55.803 0.015 0.000 0.857 49 Q CB 0.120 28.889 28.738 0.051 0.000 0.926 49 Q HN 0.215 nan 8.270 nan 0.000 0.415 50 K N 0.138 120.566 120.400 0.047 0.000 2.044 50 K HA -0.173 4.147 4.320 0.000 0.000 0.210 50 K C 1.886 178.537 176.600 0.085 0.000 1.049 50 K CA 1.667 57.997 56.287 0.071 0.000 0.927 50 K CB -0.317 32.215 32.500 0.052 0.000 0.713 50 K HN 0.248 nan 8.250 nan 0.000 0.443 51 I N -0.475 120.122 120.570 0.046 0.000 2.076 51 I HA -0.297 3.873 4.170 0.000 0.000 0.237 51 I C 2.079 178.179 176.117 -0.028 0.000 1.059 51 I CA 1.405 62.715 61.300 0.018 0.000 1.317 51 I CB -0.300 37.702 38.000 0.003 0.000 1.037 51 I HN 0.061 nan 8.210 nan 0.000 0.398 52 F N 0.848 120.651 119.950 -0.245 0.000 2.154 52 F HA -0.321 4.207 4.527 0.000 0.000 0.301 52 F C 2.710 178.472 175.800 -0.063 0.000 1.087 52 F CA 2.018 59.883 58.000 -0.225 0.000 1.274 52 F CB -0.452 38.312 39.000 -0.393 0.000 1.009 52 F HN 0.172 nan 8.300 nan 0.000 0.485 53 H N -0.312 118.800 119.070 0.070 0.000 2.270 53 H HA -0.142 4.414 4.556 0.000 0.000 0.299 53 H C 2.291 177.588 175.328 -0.052 0.000 1.077 53 H CA 1.442 57.512 56.048 0.036 0.000 1.294 53 H CB -0.345 29.452 29.762 0.058 0.000 1.371 53 H HN 0.320 nan 8.280 nan 0.000 0.491 54 A N 1.232 124.041 122.820 -0.019 0.000 1.892 54 A HA -0.250 4.070 4.320 0.000 0.000 0.218 54 A C 2.669 180.157 177.584 -0.161 0.000 1.188 54 A CA 2.005 53.996 52.037 -0.076 0.000 0.631 54 A CB -0.968 18.035 19.000 0.005 0.000 0.822 54 A HN 0.536 nan 8.150 nan 0.000 0.447 55 M N -0.962 118.513 119.600 -0.209 0.000 2.088 55 M HA -0.195 4.285 4.480 0.000 0.000 0.256 55 M C 2.069 178.175 176.300 -0.323 0.000 1.071 55 M CA 1.878 56.999 55.300 -0.298 0.000 1.097 55 M CB -0.330 31.988 32.600 -0.471 0.000 1.315 55 M HN 0.458 nan 8.290 nan 0.000 0.406 56 L N -1.322 119.665 121.223 -0.393 0.000 2.093 56 L HA -0.188 4.152 4.340 0.000 0.000 0.208 56 L C 2.493 179.210 176.870 -0.255 0.000 1.085 56 L CA 1.166 55.809 54.840 -0.329 0.000 0.755 56 L CB -0.409 41.466 42.059 -0.307 0.000 0.904 56 L HN 0.226 nan 8.230 nan 0.000 0.435 57 R N -0.828 119.491 120.500 -0.302 0.000 2.152 57 R HA -0.119 4.221 4.340 0.000 0.000 0.232 57 R C 2.075 178.290 176.300 -0.140 0.000 1.117 57 R CA 0.907 56.866 56.100 -0.236 0.000 0.981 57 R CB -0.043 30.102 30.300 -0.260 0.000 0.870 57 R HN 0.157 nan 8.270 nan 0.000 0.451 58 V N -0.102 119.731 119.914 -0.135 0.000 2.407 58 V HA -0.100 4.020 4.120 0.000 0.000 0.245 58 V C 2.211 178.252 176.094 -0.088 0.000 1.041 58 V CA 1.650 63.895 62.300 -0.092 0.000 1.040 58 V CB -0.321 31.455 31.823 -0.078 0.000 0.671 58 V HN 0.439 nan 8.190 nan 0.000 0.455 59 A N -0.566 122.185 122.820 -0.115 0.000 1.978 59 A HA -0.263 4.057 4.320 0.000 0.000 0.220 59 A C 1.845 179.385 177.584 -0.072 0.000 1.170 59 A CA 1.838 53.818 52.037 -0.096 0.000 0.636 59 A CB -0.535 18.393 19.000 -0.120 0.000 0.810 59 A HN 0.523 nan 8.150 nan 0.000 0.448 60 D N -1.184 119.169 120.400 -0.078 0.000 2.358 60 D HA 0.022 4.662 4.640 0.000 0.000 0.241 60 D C 1.620 177.895 176.300 -0.040 0.000 1.094 60 D CA 0.511 54.477 54.000 -0.056 0.000 0.907 60 D CB 0.187 40.951 40.800 -0.061 0.000 0.893 60 D HN 0.442 nan 8.370 nan 0.000 0.528 61 R N -0.287 120.190 120.500 -0.039 0.000 1.966 61 R HA 0.452 4.792 4.340 0.000 0.000 0.191 61 R C 0.905 177.191 176.300 -0.023 0.000 1.542 61 R CA 0.546 56.629 56.100 -0.028 0.000 1.210 61 R CB 0.094 30.379 30.300 -0.025 0.000 1.039 61 R HN 0.032 nan 8.270 nan 0.000 0.476 62 G N 0.353 109.139 108.800 -0.024 0.000 2.627 62 G HA2 0.066 4.026 3.960 0.000 0.000 0.680 62 G HA3 0.066 4.026 3.960 0.000 0.000 0.680 62 G C -0.588 174.293 174.900 -0.032 0.000 1.341 62 G CA -0.105 44.979 45.100 -0.027 0.000 0.835 62 G HN 0.425 nan 8.290 nan 0.000 0.643 63 E N -0.201 119.982 120.200 -0.027 0.000 2.594 63 E HA 0.184 4.534 4.350 0.000 0.000 0.173 63 E C -1.514 175.078 176.600 -0.012 0.000 0.905 63 E CA -0.190 56.199 56.400 -0.018 0.000 1.344 63 E CB 0.228 29.917 29.700 -0.018 0.000 1.156 63 E HN 0.544 nan 8.360 nan 0.000 0.578 64 P HA 0.388 nan 4.420 nan 0.000 0.340 64 P C -0.519 176.769 177.300 -0.020 0.000 1.299 64 P CA -0.521 62.567 63.100 -0.019 0.000 0.813 64 P CB 0.624 32.316 31.700 -0.015 0.000 1.911 65 V N 1.029 120.928 119.914 -0.026 0.000 2.311 65 V HA 0.503 4.623 4.120 0.000 0.000 0.275 65 V C -0.510 175.598 176.094 0.023 0.000 1.022 65 V CA -0.390 61.893 62.300 -0.028 0.000 0.830 65 V CB -0.094 31.674 31.823 -0.092 0.000 1.012 65 V HN 0.758 nan 8.190 nan 0.000 0.452 66 D N 2.894 123.343 120.400 0.083 0.000 2.652 66 D HA 0.405 5.045 4.640 0.000 0.000 0.285 66 D C 0.876 177.318 176.300 0.236 0.000 1.173 66 D CA -0.867 53.234 54.000 0.169 0.000 0.981 66 D CB 1.183 42.035 40.800 0.087 0.000 1.440 66 D HN 0.141 nan 8.370 nan 0.000 0.485 67 L N -0.117 121.202 121.223 0.160 0.000 1.965 67 L HA -0.251 4.089 4.340 0.000 0.000 0.226 67 L C 2.278 179.133 176.870 -0.024 0.000 1.083 67 L CA 1.907 56.686 54.840 -0.102 0.000 0.790 67 L CB -0.577 41.312 42.059 -0.282 0.000 0.898 67 L HN 0.395 nan 8.230 nan 0.000 0.439 68 V N -0.701 119.197 119.914 -0.026 0.000 2.218 68 V HA -0.455 3.665 4.120 0.000 0.000 0.251 68 V C 2.530 178.631 176.094 0.011 0.000 1.057 68 V CA 2.722 65.014 62.300 -0.014 0.000 1.022 68 V CB -0.949 30.867 31.823 -0.011 0.000 0.645 68 V HN 0.593 nan 8.190 nan 0.000 0.451 69 T N -0.742 113.827 114.554 0.025 0.000 2.737 69 T HA -0.192 4.158 4.350 0.000 0.000 0.269 69 T C 1.690 176.409 174.700 0.032 0.000 1.040 69 T CA 1.956 64.070 62.100 0.022 0.000 1.142 69 T CB -0.208 68.671 68.868 0.017 0.000 0.861 69 T HN 0.264 nan 8.240 nan 0.000 0.456 70 V N 1.429 121.387 119.914 0.073 0.000 2.323 70 V HA -0.107 4.013 4.120 0.000 0.000 0.244 70 V C 2.982 179.117 176.094 0.069 0.000 1.041 70 V CA 2.142 64.495 62.300 0.090 0.000 1.025 70 V CB -1.336 30.616 31.823 0.215 0.000 0.656 70 V HN 0.748 nan 8.190 nan 0.000 0.451 71 T N -0.409 114.177 114.554 0.054 0.000 2.778 71 T HA -0.212 4.138 4.350 0.000 0.000 0.269 71 T C 1.837 176.548 174.700 0.018 0.000 1.050 71 T CA 1.845 63.959 62.100 0.024 0.000 1.137 71 T CB -0.412 68.448 68.868 -0.013 0.000 0.860 71 T HN 0.463 nan 8.240 nan 0.000 0.468 72 A N 1.685 124.514 122.820 0.015 0.000 1.855 72 A HA -0.020 4.300 4.320 0.000 0.000 0.215 72 A C 2.313 179.904 177.584 0.012 0.000 1.191 72 A CA 1.960 54.002 52.037 0.009 0.000 0.613 72 A CB -1.073 17.930 19.000 0.005 0.000 0.829 72 A HN 0.593 nan 8.150 nan 0.000 0.442 73 E N 0.210 120.417 120.200 0.013 0.000 2.085 73 E HA -0.177 4.173 4.350 0.000 0.000 0.194 73 E C 1.820 178.433 176.600 0.021 0.000 0.994 73 E CA 1.526 57.932 56.400 0.010 0.000 0.801 73 E CB -0.469 29.229 29.700 -0.003 0.000 0.743 73 E HN 0.581 nan 8.360 nan 0.000 0.453 74 L N -0.194 121.047 121.223 0.030 0.000 2.012 74 L HA -0.196 4.144 4.340 0.000 0.000 0.210 74 L C 2.549 179.436 176.870 0.028 0.000 1.073 74 L CA 1.332 56.194 54.840 0.038 0.000 0.748 74 L CB -0.646 41.442 42.059 0.049 0.000 0.891 74 L HN 0.237 nan 8.230 nan 0.000 0.431 75 A N -0.058 122.775 122.820 0.022 0.000 1.908 75 A HA -0.202 4.118 4.320 0.000 0.000 0.218 75 A C 2.513 180.105 177.584 0.014 0.000 1.181 75 A CA 1.862 53.908 52.037 0.015 0.000 0.627 75 A CB -0.811 18.195 19.000 0.010 0.000 0.818 75 A HN 0.415 nan 8.150 nan 0.000 0.445 76 A N -0.053 122.775 122.820 0.014 0.000 1.972 76 A HA -0.031 4.289 4.320 0.000 0.000 0.219 76 A C 2.234 179.828 177.584 0.016 0.000 1.169 76 A CA 2.075 54.119 52.037 0.012 0.000 0.635 76 A CB -0.671 18.335 19.000 0.010 0.000 0.810 76 A HN 1.103 nan 8.150 nan 0.000 0.446 77 S N 0.123 115.836 115.700 0.022 0.000 2.614 77 S HA 0.192 4.663 4.470 0.000 0.000 0.230 77 S C 0.375 174.988 174.600 0.022 0.000 0.952 77 S CA 0.590 58.806 58.200 0.026 0.000 0.949 77 S CB -0.684 62.541 63.200 0.042 0.000 0.786 77 S HN 0.810 nan 8.310 nan 0.000 0.478 78 E N 1.060 121.271 120.200 0.018 0.000 2.269 78 E HA -0.295 4.055 4.350 0.000 0.000 0.223 78 E C 0.093 176.701 176.600 0.014 0.000 1.244 78 E CA 1.054 57.462 56.400 0.014 0.000 0.713 78 E CB -2.516 27.189 29.700 0.009 0.000 1.178 78 E HN 0.957 nan 8.360 nan 0.000 0.370 79 Q N -0.341 119.471 119.800 0.020 0.000 2.139 79 Q HA 0.300 4.640 4.340 0.000 0.000 0.219 79 Q C 1.698 177.713 176.000 0.025 0.000 0.805 79 Q CA -0.366 55.449 55.803 0.020 0.000 1.024 79 Q CB 0.372 29.125 28.738 0.024 0.000 1.163 79 Q HN 0.488 nan 8.270 nan 0.000 0.485 80 L N 1.100 122.337 121.223 0.025 0.000 1.994 80 L HA -0.134 4.206 4.340 0.000 0.000 0.208 80 L C 2.215 179.100 176.870 0.026 0.000 1.071 80 L CA 1.826 56.684 54.840 0.029 0.000 0.745 80 L CB -0.010 42.062 42.059 0.021 0.000 0.892 80 L HN 0.373 nan 8.230 nan 0.000 0.431 81 E N -0.416 119.792 120.200 0.014 0.000 2.427 81 E HA -0.228 4.123 4.350 0.000 0.000 0.196 81 E C 1.705 178.304 176.600 -0.001 0.000 1.028 81 E CA 0.335 56.740 56.400 0.007 0.000 0.864 81 E CB 0.265 29.967 29.700 0.002 0.000 0.813 81 E HN 0.495 nan 8.360 nan 0.000 0.514 82 E N -0.085 120.116 120.200 0.001 0.000 2.358 82 E HA -0.050 4.300 4.350 0.000 0.000 0.195 82 E C 1.131 177.722 176.600 -0.015 0.000 1.010 82 E CA 0.098 56.492 56.400 -0.009 0.000 0.856 82 E CB 0.332 30.029 29.700 -0.004 0.000 0.795 82 E HN 0.217 nan 8.360 nan 0.000 0.504 83 I N -0.894 119.679 120.570 0.004 0.000 6.654 83 I HA 0.178 4.348 4.170 0.000 0.000 0.186 83 I C 1.698 177.789 176.117 -0.043 0.000 0.989 83 I CA -0.050 61.253 61.300 0.006 0.000 1.796 83 I CB -0.480 37.574 38.000 0.091 0.000 1.389 83 I HN -0.024 nan 8.210 nan 0.000 0.543 84 G N -0.764 108.040 108.800 0.006 0.000 3.022 84 G HA2 0.457 4.417 3.960 0.000 0.000 0.157 84 G HA3 0.457 4.417 3.960 0.000 0.000 0.157 84 G C 0.195 175.128 174.900 0.055 0.000 1.691 84 G CA 0.313 45.427 45.100 0.023 0.000 1.079 84 G HN 0.674 nan 8.290 nan 0.000 0.549 85 G N -1.891 106.957 108.800 0.081 0.000 3.099 85 G HA2 0.404 4.364 3.960 0.000 0.000 0.151 85 G HA3 0.404 4.364 3.960 0.000 0.000 0.151 85 G C 1.120 176.049 174.900 0.049 0.000 1.265 85 G CA 0.770 45.898 45.100 0.047 0.000 0.981 85 G HN 1.082 nan 8.290 nan 0.000 0.601 86 V N -1.351 118.571 119.914 0.012 0.000 3.380 86 V HA 0.058 4.178 4.120 0.000 0.000 0.268 86 V C 2.346 178.423 176.094 -0.029 0.000 1.168 86 V CA 1.885 64.169 62.300 -0.026 0.000 1.156 86 V CB -0.202 31.590 31.823 -0.051 0.000 0.785 86 V HN 0.358 nan 8.190 nan 0.000 0.487 87 S N 0.082 115.792 115.700 0.016 0.000 2.348 87 S HA -0.163 4.307 4.470 0.000 0.000 0.221 87 S C 1.761 176.400 174.600 0.064 0.000 1.033 87 S CA 2.104 60.322 58.200 0.030 0.000 1.010 87 S CB -0.528 62.702 63.200 0.050 0.000 0.891 87 S HN 0.798 nan 8.310 nan 0.000 0.442 88 Y N 1.713 122.001 120.300 -0.020 0.000 2.373 88 Y HA 0.111 4.661 4.550 0.000 0.000 0.293 88 Y C 1.755 177.643 175.900 -0.021 0.000 1.129 88 Y CA 0.790 58.888 58.100 -0.002 0.000 1.226 88 Y CB -0.212 38.264 38.460 0.028 0.000 1.000 88 Y HN 0.158 nan 8.280 nan 0.000 0.549 89 L N -1.382 119.815 121.223 -0.044 0.000 2.109 89 L HA -0.185 4.156 4.340 0.000 0.000 0.207 89 L C 2.406 179.056 176.870 -0.367 0.000 1.086 89 L CA 1.367 56.082 54.840 -0.209 0.000 0.760 89 L CB -0.511 41.410 42.059 -0.230 0.000 0.910 89 L HN 0.078 nan 8.230 nan 0.000 0.437 90 S N -0.670 114.879 115.700 -0.251 0.000 2.371 90 S HA -0.157 4.314 4.470 0.000 0.000 0.224 90 S C 1.767 176.268 174.600 -0.165 0.000 1.029 90 S CA 0.824 58.893 58.200 -0.219 0.000 0.978 90 S CB -0.119 62.998 63.200 -0.138 0.000 0.833 90 S HN 0.367 nan 8.310 nan 0.000 0.466 91 E N 1.132 121.248 120.200 -0.141 0.000 2.048 91 E HA -0.204 4.146 4.350 0.000 0.000 0.202 91 E C 2.017 178.514 176.600 -0.173 0.000 1.021 91 E CA 1.408 57.729 56.400 -0.131 0.000 0.825 91 E CB -0.409 29.226 29.700 -0.109 0.000 0.756 91 E HN 0.409 nan 8.360 nan 0.000 0.454 92 L N 0.400 121.456 121.223 -0.278 0.000 1.971 92 L HA -0.271 4.069 4.340 0.000 0.000 0.215 92 L C 2.679 179.521 176.870 -0.047 0.000 1.072 92 L CA 1.302 56.030 54.840 -0.187 0.000 0.758 92 L CB -0.791 41.174 42.059 -0.156 0.000 0.889 92 L HN 0.170 nan 8.230 nan 0.000 0.433 93 A N 0.374 123.174 122.820 -0.034 0.000 1.870 93 A HA -0.299 4.021 4.320 0.000 0.000 0.219 93 A C 1.918 179.495 177.584 -0.012 0.000 1.224 93 A CA 2.491 54.529 52.037 0.002 0.000 0.650 93 A CB -0.895 18.006 19.000 -0.164 0.000 0.836 93 A HN 0.496 nan 8.150 nan 0.000 0.454 94 D N -0.568 119.803 120.400 -0.050 0.000 2.371 94 D HA 0.167 4.807 4.640 0.000 0.000 0.221 94 D C 1.817 178.107 176.300 -0.018 0.000 0.986 94 D CA 1.053 55.033 54.000 -0.032 0.000 0.899 94 D CB -0.066 40.709 40.800 -0.042 0.000 0.902 94 D HN 0.492 nan 8.370 nan 0.000 0.530 95 A N 0.237 123.043 122.820 -0.022 0.000 1.956 95 A HA 0.097 4.418 4.320 0.000 0.000 0.212 95 A C 1.243 178.829 177.584 0.003 0.000 1.188 95 A CA 0.090 52.119 52.037 -0.012 0.000 0.675 95 A CB 0.305 19.289 19.000 -0.027 0.000 0.845 95 A HN 0.048 nan 8.150 nan 0.000 0.455 96 V N 2.150 122.068 119.914 0.006 0.000 2.498 96 V HA 0.186 4.306 4.120 0.000 0.000 0.279 96 V C -1.072 175.045 176.094 0.038 0.000 1.048 96 V CA -0.718 61.597 62.300 0.024 0.000 0.967 96 V CB 1.404 33.237 31.823 0.017 0.000 0.988 96 V HN 0.432 nan 8.190 nan 0.000 0.473 97 P HA 0.077 nan 4.420 nan 0.000 0.224 97 P C 0.453 177.782 177.300 0.049 0.000 1.159 97 P CA 0.554 63.680 63.100 0.044 0.000 0.824 97 P CB 0.559 32.286 31.700 0.045 0.000 0.833 98 T N -1.241 113.354 114.554 0.069 0.000 2.909 98 T HA 0.673 5.023 4.350 0.000 0.000 0.299 98 T C -0.877 173.880 174.700 0.096 0.000 1.073 98 T CA -0.429 61.712 62.100 0.069 0.000 0.999 98 T CB 1.322 70.226 68.868 0.060 0.000 1.098 98 T HN -0.086 nan 8.240 nan 0.000 0.477 99 A N 2.267 125.131 122.820 0.073 0.000 2.616 99 A HA 0.696 5.016 4.320 0.000 0.000 0.294 99 A C 1.354 178.976 177.584 0.063 0.000 1.091 99 A CA 0.341 52.430 52.037 0.087 0.000 0.971 99 A CB -0.287 18.754 19.000 0.068 0.000 1.222 99 A HN 1.029 nan 8.150 nan 0.000 0.521 100 A N -0.196 122.644 122.820 0.033 0.000 2.308 100 A HA 0.151 4.471 4.320 0.000 0.000 0.217 100 A C 1.454 179.002 177.584 -0.060 0.000 1.216 100 A CA 0.458 52.488 52.037 -0.011 0.000 0.864 100 A CB -0.166 18.813 19.000 -0.035 0.000 0.902 100 A HN 0.491 nan 8.150 nan 0.000 0.499 101 N N 0.175 118.855 118.700 -0.033 0.000 2.297 101 N HA 0.049 4.789 4.740 0.000 0.000 0.204 101 N C 1.548 177.137 175.510 0.133 0.000 1.036 101 N CA 1.620 54.578 53.050 -0.152 0.000 0.991 101 N CB -0.633 37.733 38.487 -0.201 0.000 1.198 101 N HN 0.150 nan 8.380 nan 0.000 0.515 102 V N 1.047 121.203 119.914 0.402 0.000 0.498 102 V HA -0.358 3.762 4.120 0.000 0.000 0.091 102 V C 1.291 177.606 176.094 0.368 0.000 2.374 102 V CA 2.646 65.177 62.300 0.384 0.000 3.628 102 V CB -1.543 30.409 31.823 0.214 0.000 0.925 102 V HN 0.765 nan 8.190 nan 0.000 0.962 103 E N -1.035 119.343 120.200 0.297 0.000 2.349 103 E HA 0.489 4.839 4.350 0.000 0.000 0.201 103 E C 0.232 176.956 176.600 0.205 0.000 1.087 103 E CA 0.058 56.586 56.400 0.215 0.000 1.128 103 E CB 0.178 29.956 29.700 0.130 0.000 1.188 103 E HN 0.770 nan 8.360 nan 0.000 0.445 104 Y N -1.838 118.467 120.300 0.008 0.000 1.726 104 Y HA 0.044 4.594 4.550 0.000 0.000 0.244 104 Y C -0.036 175.853 175.900 -0.018 0.000 1.594 104 Y CA -0.204 57.889 58.100 -0.011 0.000 1.055 104 Y CB 0.021 38.393 38.460 -0.147 0.000 4.837 104 Y HN -0.030 nan 8.280 nan 0.000 0.127 105 Y N -1.300 118.508 120.300 -0.821 0.000 2.782 105 Y HA -0.547 4.003 4.550 0.000 0.000 0.474 105 Y C 2.008 177.808 175.900 -0.167 0.000 1.124 105 Y CA 0.892 58.870 58.100 -0.205 0.000 2.806 105 Y CB -2.030 36.509 38.460 0.131 0.000 1.130 105 Y HN 0.566 nan 8.280 nan 0.000 0.610 106 A N 0.355 123.245 122.820 0.117 0.000 1.849 106 A HA -0.280 4.040 4.320 0.000 0.000 0.217 106 A C 1.794 179.326 177.584 -0.086 0.000 1.202 106 A CA 2.680 54.708 52.037 -0.015 0.000 0.629 106 A CB -0.929 18.101 19.000 0.050 0.000 0.834 106 A HN 0.592 nan 8.150 nan 0.000 0.447 107 R N -0.777 119.682 120.500 -0.068 0.000 2.139 107 R HA -0.118 4.223 4.340 0.000 0.000 0.243 107 R C 1.963 178.179 176.300 -0.140 0.000 1.145 107 R CA 1.567 57.610 56.100 -0.096 0.000 0.976 107 R CB -0.477 29.779 30.300 -0.072 0.000 0.866 107 R HN 0.672 nan 8.270 nan 0.000 0.449 108 I N -0.558 119.901 120.570 -0.185 0.000 2.163 108 I HA -0.256 3.914 4.170 0.000 0.000 0.240 108 I C 2.053 178.081 176.117 -0.148 0.000 1.081 108 I CA 1.108 62.309 61.300 -0.166 0.000 1.353 108 I CB -0.208 37.694 38.000 -0.164 0.000 1.054 108 I HN -0.018 nan 8.210 nan 0.000 0.407 109 V N 0.709 120.514 119.914 -0.181 0.000 2.332 109 V HA -0.285 3.835 4.120 0.000 0.000 0.248 109 V C 2.520 178.481 176.094 -0.223 0.000 1.055 109 V CA 1.979 64.130 62.300 -0.248 0.000 1.038 109 V CB -0.773 30.776 31.823 -0.458 0.000 0.651 109 V HN 0.504 nan 8.190 nan 0.000 0.450 110 E N 0.303 120.384 120.200 -0.197 0.000 2.110 110 E HA -0.240 4.110 4.350 0.000 0.000 0.193 110 E C 2.116 178.654 176.600 -0.102 0.000 0.988 110 E CA 1.554 57.868 56.400 -0.144 0.000 0.804 110 E CB 0.053 29.686 29.700 -0.112 0.000 0.745 110 E HN 0.745 nan 8.360 nan 0.000 0.458 111 E N 0.250 120.390 120.200 -0.099 0.000 2.006 111 E HA -0.136 4.214 4.350 0.000 0.000 0.192 111 E C 2.087 178.639 176.600 -0.079 0.000 0.993 111 E CA 0.896 57.249 56.400 -0.079 0.000 0.808 111 E CB 0.015 29.668 29.700 -0.079 0.000 0.764 111 E HN 0.083 nan 8.360 nan 0.000 0.449 112 K N 0.741 121.085 120.400 -0.093 0.000 2.360 112 K HA -0.113 4.207 4.320 0.000 0.000 0.201 112 K C 2.148 178.700 176.600 -0.080 0.000 1.046 112 K CA 0.660 56.892 56.287 -0.092 0.000 0.940 112 K CB -0.326 32.110 32.500 -0.106 0.000 0.748 112 K HN 0.010 nan 8.250 nan 0.000 0.465 113 S N 0.778 116.431 115.700 -0.079 0.000 2.357 113 S HA -0.076 4.394 4.470 0.000 0.000 0.221 113 S C 2.087 176.665 174.600 -0.035 0.000 1.031 113 S CA 0.838 59.008 58.200 -0.051 0.000 0.982 113 S CB -0.074 63.086 63.200 -0.067 0.000 0.853 113 S HN 0.052 nan 8.310 nan 0.000 0.458 114 V N 2.527 122.416 119.914 -0.042 0.000 2.343 114 V HA -0.142 3.979 4.120 0.000 0.000 0.247 114 V C 2.473 178.550 176.094 -0.028 0.000 1.051 114 V CA 1.822 64.104 62.300 -0.031 0.000 1.036 114 V CB -0.746 31.057 31.823 -0.033 0.000 0.654 114 V HN 0.491 nan 8.190 nan 0.000 0.451 115 L N -0.619 120.581 121.223 -0.038 0.000 2.042 115 L HA -0.223 4.118 4.340 0.000 0.000 0.210 115 L C 2.831 179.682 176.870 -0.032 0.000 1.076 115 L CA 1.749 56.567 54.840 -0.037 0.000 0.749 115 L CB -0.645 41.384 42.059 -0.050 0.000 0.893 115 L HN 0.291 nan 8.230 nan 0.000 0.432 116 R N -0.366 120.116 120.500 -0.031 0.000 2.075 116 R HA -0.126 4.214 4.340 0.000 0.000 0.232 116 R C 2.436 178.737 176.300 0.000 0.000 1.126 116 R CA 1.107 57.198 56.100 -0.015 0.000 0.963 116 R CB -0.239 30.063 30.300 0.003 0.000 0.858 116 R HN 0.364 nan 8.270 nan 0.000 0.435 117 R N 0.481 120.981 120.500 -0.000 0.000 2.081 117 R HA -0.131 4.209 4.340 0.000 0.000 0.235 117 R C 2.369 178.669 176.300 0.000 0.000 1.131 117 R CA 1.095 57.197 56.100 0.003 0.000 0.960 117 R CB -0.448 29.853 30.300 0.002 0.000 0.856 117 R HN 0.107 nan 8.270 nan 0.000 0.436 118 L N 1.213 122.432 121.223 -0.006 0.000 1.989 118 L HA -0.193 4.147 4.340 0.000 0.000 0.211 118 L C 2.086 178.953 176.870 -0.004 0.000 1.071 118 L CA 1.724 56.560 54.840 -0.007 0.000 0.749 118 L CB -0.332 41.720 42.059 -0.012 0.000 0.890 118 L HN 0.138 nan 8.230 nan 0.000 0.431 119 I N -0.838 119.728 120.570 -0.006 0.000 2.151 119 I HA -0.362 3.808 4.170 0.000 0.000 0.243 119 I C 2.789 178.909 176.117 0.005 0.000 1.080 119 I CA 1.643 62.941 61.300 -0.003 0.000 1.339 119 I CB -0.356 37.639 38.000 -0.009 0.000 1.039 119 I HN 0.321 nan 8.210 nan 0.000 0.409 120 R N 0.459 120.963 120.500 0.008 0.000 2.070 120 R HA -0.194 4.146 4.340 0.000 0.000 0.233 120 R C 2.444 178.752 176.300 0.013 0.000 1.137 120 R CA 2.309 58.417 56.100 0.013 0.000 0.945 120 R CB -0.365 29.945 30.300 0.017 0.000 0.845 120 R HN 0.507 nan 8.270 nan 0.000 0.430 121 T N -2.309 112.250 114.554 0.009 0.000 2.995 121 T HA 0.083 4.433 4.350 0.000 0.000 0.269 121 T C 1.811 176.516 174.700 0.008 0.000 1.091 121 T CA 0.841 62.946 62.100 0.008 0.000 1.128 121 T CB 0.032 68.904 68.868 0.005 0.000 0.891 121 T HN 0.296 nan 8.240 nan 0.000 0.492 122 A N 1.799 124.623 122.820 0.007 0.000 1.874 122 A HA 0.081 4.401 4.320 0.000 0.000 0.214 122 A C 2.623 180.216 177.584 0.015 0.000 1.189 122 A CA 1.708 53.750 52.037 0.008 0.000 0.615 122 A CB -1.320 17.683 19.000 0.004 0.000 0.830 122 A HN 0.508 nan 8.150 nan 0.000 0.443 123 T N -0.099 114.466 114.554 0.018 0.000 2.720 123 T HA -0.163 4.187 4.350 0.000 0.000 0.268 123 T C 2.167 176.888 174.700 0.035 0.000 1.037 123 T CA 1.837 63.953 62.100 0.028 0.000 1.144 123 T CB -0.402 68.480 68.868 0.023 0.000 0.864 123 T HN 0.496 nan 8.240 nan 0.000 0.444 124 S N 0.177 115.893 115.700 0.027 0.000 2.469 124 S HA 0.012 4.483 4.470 0.000 0.000 0.238 124 S C 1.896 176.513 174.600 0.028 0.000 0.998 124 S CA 0.539 58.756 58.200 0.028 0.000 0.957 124 S CB -0.519 62.693 63.200 0.020 0.000 0.764 124 S HN 0.472 nan 8.310 nan 0.000 0.514 125 I N 0.804 121.387 120.570 0.022 0.000 2.400 125 I HA -0.003 4.167 4.170 0.000 0.000 0.248 125 I C 2.742 178.869 176.117 0.017 0.000 1.109 125 I CA 0.820 62.127 61.300 0.012 0.000 1.425 125 I CB -0.564 37.437 38.000 0.001 0.000 1.094 125 I HN 0.359 nan 8.210 nan 0.000 0.425 126 A N 0.674 123.518 122.820 0.040 0.000 1.835 126 A HA -0.312 4.008 4.320 0.000 0.000 0.215 126 A C 2.203 179.897 177.584 0.184 0.000 1.199 126 A CA 2.144 54.231 52.037 0.084 0.000 0.615 126 A CB -0.918 18.146 19.000 0.106 0.000 0.838 126 A HN 0.419 nan 8.150 nan 0.000 0.444 127 Q N 0.238 120.135 119.800 0.161 0.000 2.118 127 Q HA -0.283 4.057 4.340 0.000 0.000 0.211 127 Q C 1.256 177.365 176.000 0.182 0.000 0.998 127 Q CA 2.698 58.600 55.803 0.166 0.000 0.872 127 Q CB -0.736 28.050 28.738 0.080 0.000 0.925 127 Q HN 0.631 nan 8.270 nan 0.000 0.414 128 D N -1.191 119.269 120.400 0.099 0.000 2.348 128 D HA 0.021 4.662 4.640 0.000 0.000 0.216 128 D C 1.497 177.812 176.300 0.026 0.000 0.970 128 D CA 1.070 55.105 54.000 0.060 0.000 0.889 128 D CB -0.419 40.397 40.800 0.026 0.000 0.912 128 D HN 0.524 nan 8.370 nan 0.000 0.524 129 G N -0.726 108.061 108.800 -0.022 0.000 2.471 129 G HA2 -0.239 3.721 3.960 0.000 0.000 0.219 129 G HA3 -0.239 3.721 3.960 0.000 0.000 0.219 129 G C 0.851 175.558 174.900 -0.321 0.000 1.125 129 G CA 0.601 45.561 45.100 -0.234 0.000 0.775 129 G HN 0.329 nan 8.290 nan 0.000 0.548 130 Y N 0.190 120.490 120.300 -0.001 0.000 2.524 130 Y HA 0.109 4.659 4.550 0.000 0.000 0.270 130 Y C 3.009 178.908 175.900 -0.001 0.000 1.094 130 Y CA 0.917 59.017 58.100 -0.001 0.000 1.276 130 Y CB -0.223 38.237 38.460 -0.001 0.000 1.130 130 Y HN 0.204 nan 8.280 nan 0.000 0.536 131 T N -1.458 113.187 114.554 0.152 0.000 3.014 131 T HA 0.130 4.480 4.350 0.000 0.000 0.263 131 T C 1.188 175.916 174.700 0.047 0.000 1.078 131 T CA 0.205 62.357 62.100 0.086 0.000 1.135 131 T CB 0.071 68.981 68.868 0.069 0.000 0.895 131 T HN 0.057 nan 8.240 nan 0.000 0.480 132 R N 0.475 120.993 120.500 0.030 0.000 2.568 132 R HA 0.564 4.904 4.340 0.000 0.000 0.206 132 R C 0.772 177.075 176.300 0.005 0.000 1.178 132 R CA -0.394 55.713 56.100 0.011 0.000 1.040 132 R CB 0.135 30.435 30.300 -0.000 0.000 1.562 132 R HN 0.261 nan 8.270 nan 0.000 0.512 133 E N -1.839 118.357 120.200 -0.007 0.000 3.225 133 E HA -0.137 4.213 4.350 0.000 0.000 0.341 133 E C -0.658 175.936 176.600 -0.009 0.000 0.468 133 E CA 0.537 56.929 56.400 -0.012 0.000 1.681 133 E CB -0.230 29.468 29.700 -0.004 0.000 2.622 133 E HN 0.663 nan 8.360 nan 0.000 0.521 134 D N -0.648 119.749 120.400 -0.005 0.000 4.317 134 D HA -0.217 4.423 4.640 0.000 0.000 0.179 134 D C 1.087 177.384 176.300 -0.005 0.000 0.943 134 D CA 2.446 56.444 54.000 -0.002 0.000 2.144 134 D CB -1.045 39.756 40.800 0.002 0.000 1.133 134 D HN 0.325 nan 8.370 nan 0.000 0.427 135 E N 0.020 120.215 120.200 -0.008 0.000 2.134 135 E HA 0.232 4.582 4.350 0.000 0.000 0.194 135 E C 1.601 178.193 176.600 -0.013 0.000 0.937 135 E CA 0.518 56.912 56.400 -0.009 0.000 0.874 135 E CB 0.826 30.522 29.700 -0.007 0.000 0.853 135 E HN 0.403 nan 8.360 nan 0.000 0.471 136 I N 0.670 121.229 120.570 -0.019 0.000 4.473 136 I HA -0.477 3.693 4.170 0.000 0.000 0.062 136 I C 1.050 177.156 176.117 -0.019 0.000 0.603 136 I CA 2.214 63.500 61.300 -0.023 0.000 0.966 136 I CB -1.825 36.162 38.000 -0.020 0.000 0.870 136 I HN 0.235 nan 8.210 nan 0.000 0.168 137 D N 1.044 121.435 120.400 -0.014 0.000 2.216 137 D HA 0.127 4.767 4.640 0.000 0.000 0.208 137 D C 2.232 178.526 176.300 -0.010 0.000 0.960 137 D CA 1.370 55.363 54.000 -0.011 0.000 0.861 137 D CB 0.049 40.843 40.800 -0.009 0.000 0.985 137 D HN 0.417 nan 8.370 nan 0.000 0.493 138 V N 1.548 121.456 119.914 -0.008 0.000 2.358 138 V HA -0.157 3.963 4.120 0.000 0.000 0.246 138 V C 2.695 178.784 176.094 -0.008 0.000 1.047 138 V CA 0.875 63.172 62.300 -0.007 0.000 1.035 138 V CB -0.452 31.368 31.823 -0.004 0.000 0.658 138 V HN 0.143 nan 8.190 nan 0.000 0.452 139 L N -0.751 120.465 121.223 -0.012 0.000 2.013 139 L HA -0.225 4.115 4.340 0.000 0.000 0.212 139 L C 2.355 179.215 176.870 -0.017 0.000 1.073 139 L CA 1.825 56.655 54.840 -0.016 0.000 0.753 139 L CB -0.195 41.849 42.059 -0.025 0.000 0.890 139 L HN 0.307 nan 8.230 nan 0.000 0.432 140 L N -1.243 119.969 121.223 -0.017 0.000 2.270 140 L HA -0.139 4.201 4.340 0.000 0.000 0.210 140 L C 1.960 178.823 176.870 -0.012 0.000 1.104 140 L CA 0.545 55.375 54.840 -0.017 0.000 0.804 140 L CB -0.262 41.786 42.059 -0.017 0.000 0.937 140 L HN 0.246 nan 8.230 nan 0.000 0.450 141 D N 0.010 120.405 120.400 -0.009 0.000 2.144 141 D HA -0.159 4.481 4.640 0.000 0.000 0.207 141 D C 1.717 178.014 176.300 -0.005 0.000 0.970 141 D CA 1.122 55.118 54.000 -0.007 0.000 0.853 141 D CB 0.014 40.810 40.800 -0.005 0.000 1.007 141 D HN 0.456 nan 8.370 nan 0.000 0.469 142 E N 0.476 120.673 120.200 -0.005 0.000 2.533 142 E HA 0.064 4.414 4.350 0.000 0.000 0.201 142 E C 1.208 177.806 176.600 -0.003 0.000 1.097 142 E CA 0.405 56.803 56.400 -0.003 0.000 0.887 142 E CB 0.132 29.831 29.700 -0.001 0.000 0.855 142 E HN 0.107 nan 8.360 nan 0.000 0.540 143 A N 0.889 123.706 122.820 -0.006 0.000 2.085 143 A HA 0.023 4.343 4.320 0.000 0.000 0.208 143 A C 1.423 179.003 177.584 -0.006 0.000 1.191 143 A CA 0.457 52.490 52.037 -0.007 0.000 0.799 143 A CB 0.287 19.281 19.000 -0.011 0.000 0.877 143 A HN 0.125 nan 8.150 nan 0.000 0.473 144 D N -0.180 120.216 120.400 -0.006 0.000 2.162 144 D HA -0.060 4.580 4.640 0.000 0.000 0.205 144 D C 2.020 178.318 176.300 -0.003 0.000 0.964 144 D CA 0.857 54.854 54.000 -0.005 0.000 0.847 144 D CB -0.339 40.458 40.800 -0.005 0.000 0.988 144 D HN 0.430 nan 8.370 nan 0.000 0.480 145 R N 1.424 121.922 120.500 -0.002 0.000 2.096 145 R HA -0.160 4.180 4.340 0.000 0.000 0.240 145 R C 1.838 178.138 176.300 0.000 0.000 1.139 145 R CA 1.482 57.582 56.100 -0.001 0.000 0.952 145 R CB 0.049 30.349 30.300 -0.000 0.000 0.854 145 R HN 0.060 nan 8.270 nan 0.000 0.436 146 K N -0.201 120.199 120.400 0.000 0.000 2.155 146 K HA -0.047 4.273 4.320 0.000 0.000 0.203 146 K C 2.011 178.612 176.600 0.001 0.000 1.052 146 K CA 0.748 57.036 56.287 0.001 0.000 0.948 146 K CB 0.049 32.550 32.500 0.002 0.000 0.728 146 K HN 0.229 nan 8.250 nan 0.000 0.448 147 I N 0.981 121.550 120.570 -0.001 0.000 2.617 147 I HA -0.114 4.056 4.170 0.000 0.000 0.256 147 I C 1.856 177.971 176.117 -0.002 0.000 1.167 147 I CA 1.039 62.337 61.300 -0.002 0.000 1.469 147 I CB -0.308 37.689 38.000 -0.004 0.000 1.098 147 I HN 0.222 nan 8.210 nan 0.000 0.436 148 M N 0.023 119.622 119.600 -0.002 0.000 2.562 148 M HA -0.004 4.476 4.480 0.000 0.000 0.257 148 M C 0.785 177.085 176.300 -0.000 0.000 1.099 148 M CA 0.667 55.966 55.300 -0.001 0.000 1.099 148 M CB -0.623 31.976 32.600 -0.001 0.000 1.427 148 M HN 0.153 nan 8.290 nan 0.000 0.489 184 T N 1.821 116.364 114.554 -0.018 0.000 2.559 184 T HA 0.533 4.883 4.350 0.000 0.000 0.251 184 T C 0.863 175.564 174.700 0.002 0.000 1.122 184 T CA 1.093 63.190 62.100 -0.005 0.000 1.231 184 T CB -0.031 68.837 68.868 -0.000 0.000 0.881 184 T HN 1.389 nan 8.240 nan 0.000 0.397 185 G N 0.445 109.252 108.800 0.010 0.000 2.332 185 G HA2 0.386 4.346 3.960 0.000 0.000 0.265 185 G HA3 0.386 4.346 3.960 0.000 0.000 0.265 185 G C -2.002 172.918 174.900 0.033 0.000 1.329 185 G CA -0.565 44.546 45.100 0.018 0.000 0.949 185 G HN 0.745 nan 8.290 nan 0.000 0.476 186 I N 1.543 122.142 120.570 0.048 0.000 2.599 186 I HA 0.338 4.509 4.170 0.000 0.000 0.285 186 I C -2.606 173.538 176.117 0.044 0.000 1.168 186 I CA -1.680 59.657 61.300 0.062 0.000 1.060 186 I CB 3.209 41.273 38.000 0.107 0.000 1.249 186 I HN 0.232 nan 8.210 nan 0.000 0.442 187 P HA 0.134 nan 4.420 nan 0.000 0.241 187 P C 1.031 178.278 177.300 -0.089 0.000 1.780 187 P CA -0.160 62.902 63.100 -0.063 0.000 1.111 187 P CB 0.163 31.828 31.700 -0.059 0.000 1.852 188 T N 0.105 114.620 114.554 -0.065 0.000 7.996 188 T HA -0.404 3.946 4.350 0.000 0.000 0.297 188 T C 1.618 176.035 174.700 -0.471 0.000 1.114 188 T CA 2.239 64.246 62.100 -0.155 0.000 2.241 188 T CB -2.169 66.598 68.868 -0.169 0.000 2.641 188 T HN 0.629 nan 8.240 nan 0.000 1.165 189 G N 1.168 109.757 108.800 -0.352 0.000 2.347 189 G HA2 -0.282 3.678 3.960 0.000 0.000 0.247 189 G HA3 -0.282 3.678 3.960 0.000 0.000 0.247 189 G C 0.172 174.912 174.900 -0.267 0.000 1.037 189 G CA 0.246 45.098 45.100 -0.412 0.000 0.622 189 G HN 0.819 nan 8.290 nan 0.000 0.521 190 F N 2.618 122.586 119.950 0.030 0.000 2.335 190 F HA 0.396 4.923 4.527 0.000 0.000 0.365 190 F C 2.003 177.813 175.800 0.017 0.000 1.122 190 F CA -0.289 57.739 58.000 0.046 0.000 1.151 190 F CB 0.979 40.032 39.000 0.089 0.000 1.282 190 F HN 0.044 nan 8.300 nan 0.000 0.513 191 T N 0.775 115.446 114.554 0.194 0.000 2.515 191 T HA -0.369 3.981 4.350 0.000 0.000 0.246 191 T C 1.576 176.320 174.700 0.073 0.000 1.268 191 T CA 2.417 64.576 62.100 0.099 0.000 1.136 191 T CB -0.366 68.552 68.868 0.084 0.000 0.847 191 T HN 0.765 nan 8.240 nan 0.000 0.442 192 E N 1.164 121.413 120.200 0.081 0.000 2.478 192 E HA 0.173 4.523 4.350 0.000 0.000 0.194 192 E C 2.103 178.727 176.600 0.040 0.000 1.045 192 E CA -0.002 56.426 56.400 0.047 0.000 0.868 192 E CB -0.221 29.501 29.700 0.037 0.000 0.885 192 E HN 0.357 nan 8.360 nan 0.000 0.505 193 L N 2.190 123.457 121.223 0.073 0.000 2.027 193 L HA -0.086 4.254 4.340 0.000 0.000 0.206 193 L C 1.323 178.167 176.870 -0.043 0.000 1.074 193 L CA 2.008 56.874 54.840 0.043 0.000 0.745 193 L CB -0.464 41.681 42.059 0.143 0.000 0.898 193 L HN -0.104 nan 8.230 nan 0.000 0.433 194 D N -0.253 120.123 120.400 -0.041 0.000 2.149 194 D HA -0.212 4.429 4.640 0.000 0.000 0.194 194 D C 2.270 178.529 176.300 -0.068 0.000 1.001 194 D CA 1.508 55.455 54.000 -0.088 0.000 0.849 194 D CB -0.113 40.656 40.800 -0.051 0.000 0.939 194 D HN 0.401 nan 8.370 nan 0.000 0.449 195 R N -0.234 120.248 120.500 -0.031 0.000 2.075 195 R HA 0.014 4.355 4.340 0.000 0.000 0.232 195 R C 2.417 178.701 176.300 -0.026 0.000 1.126 195 R CA 0.853 56.940 56.100 -0.022 0.000 0.963 195 R CB -0.358 29.939 30.300 -0.006 0.000 0.858 195 R HN 0.290 nan 8.270 nan 0.000 0.435 196 M N 0.425 120.008 119.600 -0.027 0.000 2.296 196 M HA -0.090 4.391 4.480 0.000 0.000 0.265 196 M C 1.929 178.207 176.300 -0.036 0.000 1.064 196 M CA 1.836 57.122 55.300 -0.023 0.000 1.109 196 M CB -0.116 32.475 32.600 -0.015 0.000 1.396 196 M HN 0.330 nan 8.290 nan 0.000 0.430 197 T N -4.999 109.513 114.554 -0.070 0.000 3.026 197 T HA 0.150 4.500 4.350 0.000 0.000 0.245 197 T C 0.783 175.429 174.700 -0.090 0.000 1.004 197 T CA 0.438 62.482 62.100 -0.094 0.000 1.069 197 T CB 0.108 68.856 68.868 -0.200 0.000 1.005 197 T HN 0.251 nan 8.240 nan 0.000 0.472 198 S N 1.048 116.690 115.700 -0.098 0.000 3.783 198 S HA 0.221 4.691 4.470 0.000 0.000 0.360 198 S C 0.887 175.437 174.600 -0.083 0.000 1.006 198 S CA 0.775 58.931 58.200 -0.072 0.000 1.115 198 S CB -2.133 61.045 63.200 -0.037 0.000 0.893 198 S HN 2.003 nan 8.310 nan 0.000 0.475 199 G N 0.045 108.747 108.800 -0.163 0.000 2.549 199 G HA2 0.310 4.270 3.960 0.000 0.000 0.404 199 G HA3 0.310 4.270 3.960 0.000 0.000 0.404 199 G C -0.565 174.141 174.900 -0.324 0.000 1.292 199 G CA -0.248 44.759 45.100 -0.156 0.000 0.935 199 G HN 1.510 nan 8.290 nan 0.000 0.512 200 F N -0.862 119.090 119.950 0.005 0.000 2.034 200 F HA -0.026 4.501 4.527 0.000 0.000 0.245 200 F C 0.858 176.654 175.800 -0.006 0.000 1.038 200 F CA 1.012 59.010 58.000 -0.004 0.000 0.899 200 F CB -1.968 37.024 39.000 -0.014 0.000 1.264 200 F HN 1.089 nan 8.300 nan 0.000 0.754 201 Q N 0.987 120.900 119.800 0.188 0.000 2.683 201 Q HA 0.852 5.192 4.340 0.000 0.000 0.302 201 Q C -0.940 175.103 176.000 0.071 0.000 1.042 201 Q CA -1.605 54.256 55.803 0.096 0.000 0.773 201 Q CB 2.228 31.004 28.738 0.064 0.000 1.508 201 Q HN 0.494 nan 8.270 nan 0.000 0.459 202 R N 0.303 120.829 120.500 0.044 0.000 2.198 202 R HA 0.486 4.826 4.340 0.000 0.000 0.339 202 R C -0.538 175.772 176.300 0.018 0.000 1.020 202 R CA 0.072 56.189 56.100 0.028 0.000 0.864 202 R CB 0.932 31.245 30.300 0.022 0.000 1.105 202 R HN 0.870 nan 8.270 nan 0.000 0.463 203 S N 0.564 116.271 115.700 0.012 0.000 1.734 203 S HA -0.101 4.369 4.470 0.000 0.000 0.246 203 S C -0.753 173.848 174.600 0.002 0.000 1.279 203 S CA 0.144 58.346 58.200 0.003 0.000 1.101 203 S CB -0.548 62.654 63.200 0.003 0.000 1.382 203 S HN 0.684 nan 8.310 nan 0.000 0.598 204 D N 1.591 121.998 120.400 0.013 0.000 2.256 204 D HA 0.521 5.161 4.640 0.000 0.000 0.250 204 D C -0.282 176.016 176.300 -0.005 0.000 1.093 204 D CA -0.275 53.734 54.000 0.015 0.000 0.882 204 D CB 0.967 41.795 40.800 0.047 0.000 1.185 204 D HN 0.252 nan 8.370 nan 0.000 0.437 205 L N 3.317 124.533 121.223 -0.013 0.000 2.257 205 L HA 0.456 4.796 4.340 0.000 0.000 0.290 205 L C -1.181 175.671 176.870 -0.030 0.000 1.044 205 L CA -0.202 54.619 54.840 -0.031 0.000 0.810 205 L CB 0.358 42.398 42.059 -0.031 0.000 1.193 205 L HN 0.285 nan 8.230 nan 0.000 0.425 206 I N 6.668 127.203 120.570 -0.059 0.000 2.339 206 I HA 0.402 4.572 4.170 0.000 0.000 0.290 206 I C -0.210 175.872 176.117 -0.058 0.000 0.994 206 I CA -0.269 61.001 61.300 -0.050 0.000 1.191 206 I CB 1.492 39.432 38.000 -0.101 0.000 1.343 206 I HN 0.605 nan 8.210 nan 0.000 0.458 207 I N 7.350 127.891 120.570 -0.049 0.000 2.362 207 I HA 0.488 4.658 4.170 0.000 0.000 0.289 207 I C -1.130 174.947 176.117 -0.068 0.000 0.994 207 I CA -0.645 60.624 61.300 -0.050 0.000 1.158 207 I CB 1.127 39.094 38.000 -0.054 0.000 1.315 207 I HN 0.247 nan 8.210 nan 0.000 0.451 208 V N 8.017 127.927 119.914 -0.006 0.000 2.328 208 V HA 0.647 4.767 4.120 0.000 0.000 0.278 208 V C 0.361 176.476 176.094 0.036 0.000 1.021 208 V CA -0.375 61.938 62.300 0.022 0.000 0.838 208 V CB 1.003 32.937 31.823 0.185 0.000 0.999 208 V HN 0.828 nan 8.190 nan 0.000 0.447 209 A N 4.381 127.206 122.820 0.008 0.000 2.337 209 A HA 1.019 5.339 4.320 0.000 0.000 0.329 209 A C -0.159 177.583 177.584 0.262 0.000 1.146 209 A CA -0.158 51.974 52.037 0.159 0.000 0.800 209 A CB 1.630 20.779 19.000 0.248 0.000 1.220 209 A HN 1.498 nan 8.150 nan 0.000 0.472 210 A N 2.132 125.054 122.820 0.170 0.000 2.594 210 A HA 0.669 4.989 4.320 0.000 0.000 0.296 210 A C -0.366 177.255 177.584 0.061 0.000 1.061 210 A CA -0.819 51.290 52.037 0.120 0.000 0.689 210 A CB 0.908 19.951 19.000 0.072 0.000 1.280 210 A HN 0.807 nan 8.150 nan 0.000 0.406 211 R N 0.659 121.185 120.500 0.042 0.000 2.784 211 R HA 0.236 4.576 4.340 0.000 0.000 0.266 211 R C -2.379 173.914 176.300 -0.011 0.000 1.044 211 R CA -1.036 55.073 56.100 0.015 0.000 1.151 211 R CB -0.302 30.006 30.300 0.013 0.000 1.037 211 R HN 0.412 nan 8.270 nan 0.000 0.478 212 P HA -0.066 nan 4.420 nan 0.000 0.261 212 P C -0.364 176.914 177.300 -0.036 0.000 1.173 212 P CA 0.778 63.851 63.100 -0.045 0.000 0.760 212 P CB 0.403 32.083 31.700 -0.033 0.000 0.783 213 S N 0.430 116.105 115.700 -0.041 0.000 3.749 213 S HA -0.113 4.358 4.470 0.000 0.000 0.348 213 S C 0.913 175.482 174.600 -0.051 0.000 1.045 213 S CA 0.645 58.825 58.200 -0.033 0.000 1.051 213 S CB -1.822 61.365 63.200 -0.022 0.000 0.898 213 S HN 0.384 nan 8.310 nan 0.000 0.472 214 V N -0.811 119.070 119.914 -0.055 0.000 3.431 214 V HA 0.432 4.552 4.120 0.000 0.000 0.253 214 V C 1.686 177.698 176.094 -0.137 0.000 1.184 214 V CA 0.984 63.230 62.300 -0.091 0.000 1.104 214 V CB 0.542 32.335 31.823 -0.049 0.000 0.799 214 V HN 1.266 nan 8.190 nan 0.000 0.462 215 G N 1.492 110.264 108.800 -0.046 0.000 2.189 215 G HA2 -0.165 3.796 3.960 0.000 0.000 0.113 215 G HA3 -0.165 3.796 3.960 0.000 0.000 0.113 215 G C 0.569 175.613 174.900 0.240 0.000 1.038 215 G CA 0.253 45.377 45.100 0.039 0.000 0.704 215 G HN 0.554 nan 8.290 nan 0.000 0.490 216 K N -0.701 119.786 120.400 0.145 0.000 2.148 216 K HA 0.064 4.385 4.320 0.000 0.000 0.204 216 K C 2.118 178.861 176.600 0.238 0.000 1.050 216 K CA 2.122 58.521 56.287 0.187 0.000 0.942 216 K CB -0.502 32.062 32.500 0.107 0.000 0.724 216 K HN 0.220 nan 8.250 nan 0.000 0.446 217 T N 1.128 115.787 114.554 0.175 0.000 2.732 217 T HA -0.021 4.329 4.350 0.000 0.000 0.261 217 T C 2.159 176.998 174.700 0.232 0.000 1.040 217 T CA 1.271 63.469 62.100 0.164 0.000 1.145 217 T CB -0.512 68.422 68.868 0.110 0.000 0.866 217 T HN 0.402 nan 8.240 nan 0.000 0.427 218 A N 0.607 123.608 122.820 0.302 0.000 2.186 218 A HA 0.012 4.332 4.320 0.000 0.000 0.219 218 A C 1.887 179.855 177.584 0.640 0.000 1.159 218 A CA 1.027 53.309 52.037 0.408 0.000 0.680 218 A CB -0.843 18.413 19.000 0.426 0.000 0.787 218 A HN 0.512 nan 8.150 nan 0.000 0.467 219 F N 0.191 120.404 119.950 0.439 0.000 2.262 219 F HA 0.286 4.813 4.527 0.000 0.000 0.292 219 F C 2.335 178.245 175.800 0.184 0.000 1.081 219 F CA 0.752 58.892 58.000 0.233 0.000 1.355 219 F CB -0.496 38.367 39.000 -0.228 0.000 1.069 219 F HN 0.178 nan 8.300 nan 0.000 0.506 220 A N 0.971 123.783 122.820 -0.014 0.000 1.969 220 A HA -0.061 4.259 4.320 0.000 0.000 0.218 220 A C 2.301 179.842 177.584 -0.071 0.000 1.169 220 A CA 1.496 53.444 52.037 -0.148 0.000 0.635 220 A CB -1.136 17.860 19.000 -0.006 0.000 0.810 220 A HN 0.494 nan 8.150 nan 0.000 0.445 221 L N -0.235 121.016 121.223 0.048 0.000 2.046 221 L HA -0.208 4.132 4.340 0.000 0.000 0.208 221 L C 2.259 179.160 176.870 0.052 0.000 1.077 221 L CA 1.520 56.396 54.840 0.059 0.000 0.747 221 L CB -0.651 41.472 42.059 0.107 0.000 0.896 221 L HN 0.544 nan 8.230 nan 0.000 0.432 222 N N 0.065 118.833 118.700 0.113 0.000 2.270 222 N HA -0.117 4.624 4.740 0.000 0.000 0.181 222 N C 1.904 177.400 175.510 -0.024 0.000 1.016 222 N CA 1.010 54.146 53.050 0.143 0.000 0.870 222 N CB 0.040 38.778 38.487 0.418 0.000 0.979 222 N HN 0.308 nan 8.380 nan 0.000 0.431 223 I N 1.778 122.274 120.570 -0.124 0.000 2.142 223 I HA -0.238 3.933 4.170 0.000 0.000 0.240 223 I C 2.666 178.711 176.117 -0.120 0.000 1.078 223 I CA 0.948 62.133 61.300 -0.191 0.000 1.343 223 I CB -0.493 37.376 38.000 -0.219 0.000 1.046 223 I HN 0.048 nan 8.210 nan 0.000 0.405 224 A N 0.120 122.884 122.820 -0.093 0.000 1.903 224 A HA -0.355 3.965 4.320 0.000 0.000 0.219 224 A C 2.338 179.892 177.584 -0.049 0.000 1.191 224 A CA 2.377 54.379 52.037 -0.060 0.000 0.638 224 A CB -0.941 18.035 19.000 -0.041 0.000 0.823 224 A HN 0.548 nan 8.150 nan 0.000 0.451 225 Q N -0.494 119.281 119.800 -0.041 0.000 1.993 225 Q HA -0.243 4.098 4.340 0.000 0.000 0.202 225 Q C 1.965 177.932 176.000 -0.055 0.000 0.984 225 Q CA 2.073 57.856 55.803 -0.034 0.000 0.837 225 Q CB -0.250 28.485 28.738 -0.006 0.000 0.902 225 Q HN 0.857 nan 8.270 nan 0.000 0.423 226 N N -0.749 117.897 118.700 -0.090 0.000 2.205 226 N HA -0.156 4.584 4.740 0.000 0.000 0.186 226 N C 1.623 177.079 175.510 -0.090 0.000 1.015 226 N CA 1.293 54.271 53.050 -0.119 0.000 0.862 226 N CB 0.051 38.394 38.487 -0.239 0.000 0.986 226 N HN 0.046 nan 8.380 nan 0.000 0.429 227 V N 0.488 120.357 119.914 -0.074 0.000 2.719 227 V HA -0.051 4.069 4.120 0.000 0.000 0.252 227 V C 2.136 178.212 176.094 -0.030 0.000 1.065 227 V CA 1.573 63.848 62.300 -0.042 0.000 1.086 227 V CB -0.643 31.166 31.823 -0.022 0.000 0.700 227 V HN 0.365 nan 8.190 nan 0.000 0.467 228 A N 1.048 123.847 122.820 -0.036 0.000 1.861 228 A HA -0.126 4.194 4.320 0.000 0.000 0.212 228 A C 2.475 180.039 177.584 -0.033 0.000 1.199 228 A CA 1.933 53.951 52.037 -0.032 0.000 0.613 228 A CB -0.915 18.059 19.000 -0.043 0.000 0.846 228 A HN 0.555 nan 8.150 nan 0.000 0.446 229 T N -2.350 112.182 114.554 -0.036 0.000 2.985 229 T HA 0.032 4.382 4.350 0.000 0.000 0.266 229 T C 1.692 176.375 174.700 -0.028 0.000 1.076 229 T CA 1.541 63.622 62.100 -0.031 0.000 1.135 229 T CB -0.078 68.772 68.868 -0.029 0.000 0.890 229 T HN 0.451 nan 8.240 nan 0.000 0.480 230 K N -0.070 120.311 120.400 -0.033 0.000 2.313 230 K HA 0.188 4.508 4.320 0.000 0.000 0.197 230 K C 2.337 178.923 176.600 -0.024 0.000 1.061 230 K CA 0.636 56.905 56.287 -0.031 0.000 0.980 230 K CB 0.161 32.636 32.500 -0.042 0.000 0.888 230 K HN 0.275 nan 8.250 nan 0.000 0.502 231 T N -0.103 114.438 114.554 -0.022 0.000 3.311 231 T HA 0.026 4.377 4.350 0.000 0.000 0.202 231 T C 0.030 174.725 174.700 -0.007 0.000 0.880 231 T CA 0.712 62.804 62.100 -0.013 0.000 2.029 231 T CB 0.065 68.927 68.868 -0.009 0.000 1.693 231 T HN 0.124 nan 8.240 nan 0.000 0.438 232 N N 0.809 119.507 118.700 -0.002 0.000 3.868 232 N HA 0.020 4.760 4.740 0.000 0.000 0.107 232 N C -1.792 173.726 175.510 0.013 0.000 0.831 232 N CA -0.018 53.034 53.050 0.004 0.000 3.220 232 N CB -0.467 38.022 38.487 0.003 0.000 1.254 232 N HN 0.457 nan 8.380 nan 0.000 0.810 233 E N 0.302 120.512 120.200 0.016 0.000 2.317 233 E HA 0.394 4.744 4.350 0.000 0.000 0.270 233 E C -1.049 175.575 176.600 0.040 0.000 0.899 233 E CA -0.568 55.847 56.400 0.026 0.000 0.814 233 E CB 0.482 30.193 29.700 0.018 0.000 1.296 233 E HN 0.189 nan 8.360 nan 0.000 0.404 234 N N 1.968 120.711 118.700 0.072 0.000 2.412 234 N HA 0.113 4.853 4.740 0.000 0.000 0.258 234 N C -0.337 175.236 175.510 0.105 0.000 1.236 234 N CA 0.148 53.279 53.050 0.136 0.000 0.882 234 N CB 0.927 39.548 38.487 0.224 0.000 1.066 234 N HN 0.312 nan 8.380 nan 0.000 0.465 235 V N -1.283 118.698 119.914 0.112 0.000 2.555 235 V HA 0.885 5.005 4.120 0.000 0.000 0.302 235 V C -0.149 176.003 176.094 0.096 0.000 1.038 235 V CA -1.195 61.144 62.300 0.066 0.000 0.887 235 V CB 1.372 33.203 31.823 0.013 0.000 0.991 235 V HN 0.671 nan 8.190 nan 0.000 0.434 236 A N 6.028 128.874 122.820 0.042 0.000 2.287 236 A HA 0.881 5.202 4.320 0.000 0.000 0.317 236 A C -0.536 177.002 177.584 -0.076 0.000 1.220 236 A CA -0.655 51.364 52.037 -0.030 0.000 0.835 236 A CB 0.528 19.496 19.000 -0.054 0.000 1.180 236 A HN 0.933 nan 8.150 nan 0.000 0.500 237 I N 2.268 122.737 120.570 -0.168 0.000 2.389 237 I HA 0.355 4.525 4.170 0.000 0.000 0.288 237 I C -1.244 174.728 176.117 -0.242 0.000 0.999 237 I CA -0.257 60.983 61.300 -0.100 0.000 1.129 237 I CB 1.519 39.494 38.000 -0.042 0.000 1.288 237 I HN 0.559 nan 8.210 nan 0.000 0.444 238 F N 3.999 123.965 119.950 0.028 0.000 2.385 238 F HA 0.239 4.766 4.527 0.000 0.000 0.360 238 F C 0.953 176.778 175.800 0.042 0.000 1.122 238 F CA -0.460 57.558 58.000 0.029 0.000 1.090 238 F CB 1.659 40.669 39.000 0.016 0.000 1.150 238 F HN 0.432 nan 8.300 nan 0.000 0.472 239 S N 4.546 120.348 115.700 0.169 0.000 2.438 239 S HA 0.243 4.713 4.470 0.000 0.000 0.227 239 S C 1.224 175.907 174.600 0.139 0.000 1.265 239 S CA -0.512 57.770 58.200 0.137 0.000 1.265 239 S CB -0.558 62.693 63.200 0.086 0.000 0.987 239 S HN 0.695 nan 8.310 nan 0.000 0.502 240 L N 0.083 121.399 121.223 0.154 0.000 2.085 240 L HA -0.253 4.088 4.340 0.000 0.000 0.218 240 L C 2.746 179.684 176.870 0.113 0.000 1.080 240 L CA 2.298 57.204 54.840 0.111 0.000 0.776 240 L CB -0.746 41.346 42.059 0.055 0.000 0.891 240 L HN 0.613 nan 8.230 nan 0.000 0.437 241 E N 0.602 120.905 120.200 0.172 0.000 2.011 241 E HA -0.103 4.247 4.350 0.000 0.000 0.191 241 E C 1.163 177.833 176.600 0.118 0.000 0.979 241 E CA 0.375 56.884 56.400 0.180 0.000 0.822 241 E CB 0.046 29.911 29.700 0.276 0.000 0.782 241 E HN 0.383 nan 8.360 nan 0.000 0.459 242 M N 1.324 120.988 119.600 0.107 0.000 2.250 242 M HA 0.237 4.717 4.480 0.000 0.000 0.344 242 M C 0.086 176.424 176.300 0.063 0.000 1.150 242 M CA -0.593 54.752 55.300 0.075 0.000 1.147 242 M CB 1.385 34.025 32.600 0.066 0.000 1.498 242 M HN -0.085 nan 8.290 nan 0.000 0.461 243 S N 2.582 118.311 115.700 0.048 0.000 2.572 243 S HA 0.296 4.766 4.470 0.000 0.000 0.267 243 S C 1.131 175.750 174.600 0.032 0.000 1.361 243 S CA -0.337 57.886 58.200 0.038 0.000 1.009 243 S CB 0.658 63.876 63.200 0.029 0.000 0.888 243 S HN 0.889 nan 8.310 nan 0.000 0.553 244 A N 0.546 123.381 122.820 0.024 0.000 2.015 244 A HA -0.060 4.260 4.320 0.000 0.000 0.219 244 A C 2.083 179.673 177.584 0.009 0.000 1.163 244 A CA 1.247 53.292 52.037 0.014 0.000 0.646 244 A CB -0.629 18.375 19.000 0.007 0.000 0.806 244 A HN 0.844 nan 8.150 nan 0.000 0.448 245 Q N -1.551 118.255 119.800 0.011 0.000 2.392 245 Q HA 0.057 4.398 4.340 0.000 0.000 0.219 245 Q C 2.008 178.013 176.000 0.008 0.000 0.895 245 Q CA 0.627 56.434 55.803 0.007 0.000 0.929 245 Q CB 0.115 28.856 28.738 0.006 0.000 1.077 245 Q HN 0.773 nan 8.270 nan 0.000 0.532 246 Q N 0.642 120.451 119.800 0.014 0.000 2.369 246 Q HA -0.071 4.269 4.340 0.000 0.000 0.206 246 Q C 1.716 177.730 176.000 0.022 0.000 0.963 246 Q CA 0.555 56.367 55.803 0.016 0.000 0.894 246 Q CB 0.244 28.995 28.738 0.020 0.000 0.965 246 Q HN 0.468 nan 8.270 nan 0.000 0.475 247 L N -0.317 120.921 121.223 0.024 0.000 2.127 247 L HA -0.083 4.258 4.340 0.000 0.000 0.203 247 L C 2.097 178.981 176.870 0.022 0.000 1.080 247 L CA 0.535 55.392 54.840 0.030 0.000 0.768 247 L CB -0.075 42.001 42.059 0.030 0.000 0.924 247 L HN 0.018 nan 8.230 nan 0.000 0.444 248 V N 0.805 120.725 119.914 0.010 0.000 2.295 248 V HA -0.346 3.774 4.120 0.000 0.000 0.246 248 V C 2.543 178.641 176.094 0.007 0.000 1.049 248 V CA 2.497 64.799 62.300 0.003 0.000 1.024 248 V CB -0.615 31.204 31.823 -0.007 0.000 0.648 248 V HN 0.519 nan 8.190 nan 0.000 0.447 249 M N -0.492 119.111 119.600 0.005 0.000 2.149 249 M HA -0.177 4.303 4.480 0.000 0.000 0.261 249 M C 2.268 178.576 176.300 0.013 0.000 1.064 249 M CA 1.818 57.119 55.300 0.002 0.000 1.102 249 M CB -0.725 31.870 32.600 -0.009 0.000 1.369 249 M HN 0.061 nan 8.290 nan 0.000 0.408 250 R N 1.031 121.545 120.500 0.023 0.000 2.193 250 R HA -0.076 4.264 4.340 0.000 0.000 0.229 250 R C 2.007 178.340 176.300 0.054 0.000 1.110 250 R CA 1.540 57.665 56.100 0.041 0.000 0.988 250 R CB -0.313 30.020 30.300 0.055 0.000 0.871 250 R HN 0.633 nan 8.270 nan 0.000 0.458 251 M N -2.568 117.058 119.600 0.043 0.000 2.313 251 M HA 0.182 4.662 4.480 0.000 0.000 0.273 251 M C 1.031 177.350 176.300 0.032 0.000 1.049 251 M CA 0.608 55.935 55.300 0.045 0.000 1.004 251 M CB 0.506 33.129 32.600 0.038 0.000 1.461 251 M HN -0.054 nan 8.290 nan 0.000 0.514 252 L N 0.027 121.264 121.223 0.023 0.000 2.162 252 L HA -0.026 4.314 4.340 0.000 0.000 0.205 252 L C 2.343 179.233 176.870 0.034 0.000 1.086 252 L CA 0.695 55.547 54.840 0.019 0.000 0.778 252 L CB -0.326 41.737 42.059 0.007 0.000 0.928 252 L HN 0.535 nan 8.230 nan 0.000 0.446 253 C N -0.136 119.188 119.300 0.039 0.000 2.432 253 C HA -0.135 4.325 4.460 0.000 0.000 0.277 253 C C 3.025 178.082 174.990 0.113 0.000 1.249 253 C CA 0.806 59.865 59.018 0.068 0.000 1.725 253 C CB -0.957 26.803 27.740 0.033 0.000 2.028 253 C HN 0.605 nan 8.230 nan 0.000 0.477 254 A N -0.393 122.477 122.820 0.084 0.000 2.186 254 A HA -0.154 4.167 4.320 0.000 0.000 0.219 254 A C 1.503 179.120 177.584 0.055 0.000 1.159 254 A CA 1.746 53.834 52.037 0.086 0.000 0.680 254 A CB -0.284 18.775 19.000 0.099 0.000 0.787 254 A HN 0.781 nan 8.150 nan 0.000 0.467 255 E N -1.881 118.343 120.200 0.040 0.000 3.617 255 E HA 0.446 4.797 4.350 0.000 0.000 0.351 255 E C 1.468 178.064 176.600 -0.007 0.000 0.551 255 E CA 0.108 56.513 56.400 0.008 0.000 2.098 255 E CB -0.115 29.590 29.700 0.008 0.000 2.118 255 E HN 0.186 nan 8.360 nan 0.000 0.450 256 G N 1.066 109.865 108.800 -0.002 0.000 5.258 256 G HA2 -0.357 3.604 3.960 0.000 0.000 0.224 256 G HA3 -0.357 3.604 3.960 0.000 0.000 0.224 256 G C -0.142 174.739 174.900 -0.032 0.000 0.971 256 G CA 1.297 46.392 45.100 -0.009 0.000 0.533 256 G HN 0.610 nan 8.290 nan 0.000 0.882 257 N N -1.286 117.345 118.700 -0.116 0.000 2.650 257 N HA -0.159 4.581 4.740 0.000 0.000 0.272 257 N C -0.179 175.580 175.510 0.416 0.000 1.058 257 N CA 1.233 54.025 53.050 -0.431 0.000 0.765 257 N CB -0.857 37.056 38.487 -0.956 0.000 0.902 257 N HN 0.613 nan 8.380 nan 0.000 0.551 258 I N 0.174 121.053 120.570 0.515 0.000 2.530 258 I HA 0.523 4.693 4.170 0.000 0.000 0.297 258 I C 0.316 176.458 176.117 0.043 0.000 1.011 258 I CA -1.015 60.446 61.300 0.268 0.000 1.107 258 I CB 2.056 40.108 38.000 0.087 0.000 1.285 258 I HN 0.357 nan 8.210 nan 0.000 0.436 259 N N 4.719 123.344 118.700 -0.125 0.000 4.352 259 N HA -0.020 4.720 4.740 0.000 0.000 0.255 259 N C -0.934 174.394 175.510 -0.303 0.000 1.944 259 N CA 0.653 53.581 53.050 -0.202 0.000 2.324 259 N CB -0.589 37.810 38.487 -0.148 0.000 0.826 259 N HN 0.870 nan 8.380 nan 0.000 0.576 260 A N 3.402 126.096 122.820 -0.212 0.000 2.377 260 A HA 0.209 4.530 4.320 0.000 0.000 0.174 260 A C 1.289 178.800 177.584 -0.122 0.000 1.663 260 A CA 0.710 52.642 52.037 -0.177 0.000 1.219 260 A CB -0.092 18.802 19.000 -0.177 0.000 1.499 260 A HN 0.457 nan 8.150 nan 0.000 0.481 261 Q N 0.551 120.282 119.800 -0.115 0.000 2.291 261 Q HA -0.034 4.306 4.340 0.000 0.000 0.206 261 Q C 0.631 176.576 176.000 -0.092 0.000 0.976 261 Q CA 1.382 57.130 55.803 -0.093 0.000 0.875 261 Q CB 0.076 28.762 28.738 -0.087 0.000 0.927 261 Q HN 0.651 nan 8.270 nan 0.000 0.450 262 N N -1.748 116.891 118.700 -0.101 0.000 2.405 262 N HA 0.082 4.822 4.740 0.000 0.000 0.285 262 N C 0.075 175.512 175.510 -0.122 0.000 1.262 262 N CA -0.428 52.556 53.050 -0.111 0.000 0.773 262 N CB 0.880 39.309 38.487 -0.096 0.000 1.490 262 N HN -0.130 nan 8.380 nan 0.000 0.486 263 L N 2.213 123.360 121.223 -0.126 0.000 2.021 263 L HA -0.080 4.260 4.340 0.000 0.000 0.215 263 L C 2.315 179.125 176.870 -0.100 0.000 1.074 263 L CA 1.784 56.546 54.840 -0.131 0.000 0.760 263 L CB -0.769 41.227 42.059 -0.105 0.000 0.889 263 L HN 0.616 nan 8.230 nan 0.000 0.433 264 R N -1.305 119.149 120.500 -0.076 0.000 2.088 264 R HA -0.137 4.203 4.340 0.000 0.000 0.232 264 R C 1.309 177.576 176.300 -0.055 0.000 1.136 264 R CA 1.659 57.725 56.100 -0.056 0.000 0.926 264 R CB -1.082 29.190 30.300 -0.047 0.000 0.837 264 R HN 0.282 nan 8.270 nan 0.000 0.429 265 T N 0.629 115.147 114.554 -0.059 0.000 4.475 265 T HA 0.229 4.579 4.350 0.000 0.000 0.254 265 T C 0.997 175.662 174.700 -0.058 0.000 1.160 265 T CA 0.370 62.440 62.100 -0.051 0.000 1.091 265 T CB -0.877 67.963 68.868 -0.046 0.000 1.377 265 T HN 0.529 nan 8.240 nan 0.000 1.057 266 G N 4.167 112.932 108.800 -0.057 0.000 2.692 266 G HA2 -0.341 3.619 3.960 0.000 0.000 0.339 266 G HA3 -0.341 3.619 3.960 0.000 0.000 0.339 266 G C 0.044 174.890 174.900 -0.091 0.000 1.226 266 G CA 0.665 45.731 45.100 -0.057 0.000 0.979 266 G HN 0.743 nan 8.290 nan 0.000 0.549 267 K N 0.538 120.900 120.400 -0.065 0.000 2.258 267 K HA 0.687 5.007 4.320 0.000 0.000 0.264 267 K C 0.381 176.908 176.600 -0.122 0.000 1.007 267 K CA 0.109 56.354 56.287 -0.071 0.000 0.941 267 K CB 0.611 33.111 32.500 -0.001 0.000 0.966 267 K HN 0.494 nan 8.250 nan 0.000 0.480 268 L N 0.085 121.203 121.223 -0.175 0.000 2.283 268 L HA 0.560 4.900 4.340 0.000 0.000 0.259 268 L C 0.062 176.892 176.870 -0.066 0.000 1.027 268 L CA -1.149 53.559 54.840 -0.220 0.000 0.828 268 L CB 2.015 43.759 42.059 -0.524 0.000 1.380 268 L HN 0.674 nan 8.230 nan 0.000 0.425 269 T N -3.129 111.408 114.554 -0.029 0.000 2.902 269 T HA 0.306 4.656 4.350 0.000 0.000 0.280 269 T C -1.999 172.793 174.700 0.154 0.000 0.992 269 T CA -1.807 60.330 62.100 0.062 0.000 1.015 269 T CB 1.182 70.071 68.868 0.035 0.000 1.044 269 T HN 0.422 nan 8.240 nan 0.000 0.520 270 P HA -0.072 nan 4.420 nan 0.000 0.222 270 P C 1.334 178.729 177.300 0.160 0.000 1.142 270 P CA 1.559 64.778 63.100 0.198 0.000 0.788 270 P CB -0.246 31.521 31.700 0.112 0.000 0.767 271 E N 0.661 120.925 120.200 0.108 0.000 2.112 271 E HA -0.150 4.201 4.350 0.000 0.000 0.190 271 E C 1.681 178.329 176.600 0.080 0.000 0.979 271 E CA 1.167 57.616 56.400 0.081 0.000 0.814 271 E CB -1.134 28.599 29.700 0.055 0.000 0.762 271 E HN 0.266 nan 8.360 nan 0.000 0.460 272 D N -0.710 119.722 120.400 0.053 0.000 2.091 272 D HA -0.095 4.545 4.640 0.000 0.000 0.199 272 D C 1.841 178.157 176.300 0.027 0.000 0.980 272 D CA 0.829 54.824 54.000 -0.008 0.000 0.831 272 D CB -0.475 40.253 40.800 -0.121 0.000 0.987 272 D HN 0.653 nan 8.370 nan 0.000 0.460 273 W N 1.499 122.806 121.300 0.011 0.000 2.311 273 W HA -0.139 4.521 4.660 0.000 0.000 0.326 273 W C 2.347 178.870 176.519 0.007 0.000 1.239 273 W CA 1.351 58.700 57.345 0.007 0.000 1.258 273 W CB -0.645 28.817 29.460 0.004 0.000 1.165 273 W HN 0.037 nan 8.180 nan 0.000 0.466 274 G N -0.427 108.547 108.800 0.290 0.000 2.959 274 G HA2 -0.134 3.826 3.960 0.000 0.000 0.203 274 G HA3 -0.134 3.826 3.960 0.000 0.000 0.203 274 G C 1.056 176.024 174.900 0.112 0.000 1.176 274 G CA 0.688 45.882 45.100 0.157 0.000 0.860 274 G HN 0.232 nan 8.290 nan 0.000 0.507 275 K N -1.428 119.043 120.400 0.119 0.000 2.509 275 K HA 0.248 4.568 4.320 0.000 0.000 0.205 275 K C 2.020 178.660 176.600 0.066 0.000 1.336 275 K CA -0.480 55.851 56.287 0.073 0.000 0.912 275 K CB -0.139 32.398 32.500 0.062 0.000 1.568 275 K HN 0.085 nan 8.250 nan 0.000 0.475 276 L N 2.026 123.290 121.223 0.068 0.000 2.034 276 L HA -0.287 4.054 4.340 0.000 0.000 0.217 276 L C 2.327 179.246 176.870 0.082 0.000 1.077 276 L CA 2.399 57.274 54.840 0.058 0.000 0.769 276 L CB -0.917 41.165 42.059 0.038 0.000 0.890 276 L HN 0.371 nan 8.230 nan 0.000 0.435 277 T N -1.536 113.092 114.554 0.124 0.000 2.721 277 T HA -0.271 4.079 4.350 0.000 0.000 0.268 277 T C 1.762 176.496 174.700 0.058 0.000 1.038 277 T CA 2.183 64.344 62.100 0.101 0.000 1.145 277 T CB -0.101 68.829 68.868 0.104 0.000 0.858 277 T HN 0.403 nan 8.240 nan 0.000 0.459 278 M N 0.220 119.850 119.600 0.049 0.000 2.248 278 M HA 0.240 4.720 4.480 0.000 0.000 0.265 278 M C 2.883 179.195 176.300 0.021 0.000 1.079 278 M CA 1.240 56.557 55.300 0.028 0.000 1.150 278 M CB -0.686 31.928 32.600 0.023 0.000 1.366 278 M HN 0.317 nan 8.290 nan 0.000 0.433 279 A N 0.934 123.769 122.820 0.024 0.000 1.940 279 A HA -0.121 4.200 4.320 0.000 0.000 0.219 279 A C 2.221 179.813 177.584 0.014 0.000 1.176 279 A CA 1.590 53.637 52.037 0.016 0.000 0.631 279 A CB -0.657 18.355 19.000 0.020 0.000 0.814 279 A HN 0.458 nan 8.150 nan 0.000 0.446 280 M N -0.955 118.659 119.600 0.023 0.000 2.200 280 M HA -0.077 4.403 4.480 0.000 0.000 0.265 280 M C 2.251 178.557 176.300 0.010 0.000 1.066 280 M CA 1.300 56.611 55.300 0.019 0.000 1.127 280 M CB -0.394 32.228 32.600 0.036 0.000 1.379 280 M HN 0.538 nan 8.290 nan 0.000 0.420 281 G N -0.248 108.560 108.800 0.014 0.000 2.403 281 G HA2 -0.167 3.793 3.960 0.000 0.000 0.216 281 G HA3 -0.167 3.793 3.960 0.000 0.000 0.216 281 G C 1.626 176.524 174.900 -0.003 0.000 1.154 281 G CA 1.031 46.135 45.100 0.006 0.000 0.784 281 G HN 0.552 nan 8.290 nan 0.000 0.538 282 S N 0.194 115.893 115.700 -0.003 0.000 2.395 282 S HA 0.081 4.551 4.470 0.000 0.000 0.225 282 S C 2.164 176.754 174.600 -0.017 0.000 1.027 282 S CA 0.788 58.982 58.200 -0.009 0.000 0.965 282 S CB -0.267 62.928 63.200 -0.008 0.000 0.812 282 S HN 0.113 nan 8.310 nan 0.000 0.482 283 L N 1.820 123.033 121.223 -0.017 0.000 2.478 283 L HA 0.250 4.590 4.340 0.000 0.000 0.223 283 L C 2.552 179.399 176.870 -0.039 0.000 1.140 283 L CA 0.847 55.671 54.840 -0.027 0.000 0.842 283 L CB -0.591 41.456 42.059 -0.020 0.000 0.953 283 L HN 0.425 nan 8.230 nan 0.000 0.452 284 S N -0.139 115.544 115.700 -0.030 0.000 2.382 284 S HA -0.114 4.357 4.470 0.000 0.000 0.228 284 S C 1.551 176.124 174.600 -0.046 0.000 1.027 284 S CA 1.460 59.639 58.200 -0.034 0.000 0.991 284 S CB -0.218 62.971 63.200 -0.019 0.000 0.823 284 S HN 0.622 nan 8.310 nan 0.000 0.469 285 N N 1.241 119.918 118.700 -0.039 0.000 2.270 285 N HA 0.262 5.003 4.740 0.000 0.000 0.198 285 N C 0.260 175.740 175.510 -0.050 0.000 1.117 285 N CA 0.330 53.356 53.050 -0.039 0.000 0.845 285 N CB 0.158 38.630 38.487 -0.025 0.000 0.980 285 N HN 0.388 nan 8.380 nan 0.000 0.486 286 A N 0.299 123.082 122.820 -0.063 0.000 2.386 286 A HA 0.513 4.834 4.320 0.000 0.000 0.246 286 A C 1.133 178.651 177.584 -0.109 0.000 1.089 286 A CA 0.065 52.060 52.037 -0.071 0.000 0.790 286 A CB 0.084 19.042 19.000 -0.070 0.000 1.042 286 A HN 0.199 nan 8.150 nan 0.000 0.497 287 G N 0.342 109.086 108.800 -0.092 0.000 4.178 287 G HA2 0.480 4.440 3.960 0.000 0.000 0.287 287 G HA3 0.480 4.440 3.960 0.000 0.000 0.287 287 G C -0.221 174.586 174.900 -0.156 0.000 1.293 287 G CA -0.214 44.822 45.100 -0.108 0.000 1.393 287 G HN 0.518 nan 8.290 nan 0.000 0.623 288 I N 0.537 120.943 120.570 -0.273 0.000 2.365 288 I HA 0.366 4.537 4.170 0.000 0.000 0.291 288 I C -0.796 175.041 176.117 -0.466 0.000 1.004 288 I CA -0.857 60.306 61.300 -0.230 0.000 1.311 288 I CB 1.248 39.158 38.000 -0.151 0.000 1.401 288 I HN 0.134 nan 8.210 nan 0.000 0.491 289 Y N 6.301 126.550 120.300 -0.085 0.000 2.338 289 Y HA 0.578 5.128 4.550 0.000 0.000 0.333 289 Y C -0.197 175.602 175.900 -0.168 0.000 0.968 289 Y CA -0.642 57.391 58.100 -0.112 0.000 1.123 289 Y CB 1.327 39.716 38.460 -0.118 0.000 1.165 289 Y HN 0.311 nan 8.280 nan 0.000 0.452 290 I N 2.826 123.377 120.570 -0.031 0.000 2.460 290 I HA 0.369 4.539 4.170 0.000 0.000 0.298 290 I C -0.911 175.133 176.117 -0.122 0.000 0.989 290 I CA -0.566 60.678 61.300 -0.093 0.000 1.173 290 I CB 1.861 39.828 38.000 -0.054 0.000 1.338 290 I HN 0.554 nan 8.210 nan 0.000 0.456 291 D N 3.822 124.101 120.400 -0.201 0.000 2.575 291 D HA 0.206 4.846 4.640 0.000 0.000 0.250 291 D C -0.234 176.068 176.300 0.004 0.000 1.279 291 D CA -0.529 53.400 54.000 -0.119 0.000 0.925 291 D CB 1.141 41.824 40.800 -0.194 0.000 1.261 291 D HN 0.523 nan 8.370 nan 0.000 0.567 292 D N 1.777 122.197 120.400 0.034 0.000 2.340 292 D HA 0.014 4.654 4.640 0.000 0.000 0.217 292 D C -0.067 176.278 176.300 0.076 0.000 1.081 292 D CA -0.166 53.871 54.000 0.061 0.000 0.842 292 D CB -0.513 40.312 40.800 0.042 0.000 0.934 292 D HN 0.237 nan 8.370 nan 0.000 0.511 293 T N 3.716 118.322 114.554 0.088 0.000 2.704 293 T HA -0.024 4.326 4.350 0.000 0.000 0.271 293 T C -1.363 173.377 174.700 0.068 0.000 1.000 293 T CA -0.672 61.474 62.100 0.076 0.000 1.216 293 T CB 0.800 69.720 68.868 0.086 0.000 0.961 293 T HN 0.033 nan 8.240 nan 0.000 0.515 294 P HA -0.222 nan 4.420 nan 0.000 0.223 294 P C 0.357 177.673 177.300 0.028 0.000 1.073 294 P CA 1.692 64.814 63.100 0.036 0.000 1.008 294 P CB -0.012 31.703 31.700 0.025 0.000 0.760 295 S N -1.780 113.928 115.700 0.014 0.000 2.652 295 S HA 0.597 5.067 4.470 0.000 0.000 0.273 295 S C -0.428 174.163 174.600 -0.015 0.000 1.172 295 S CA -0.989 57.204 58.200 -0.011 0.000 1.009 295 S CB 0.269 63.450 63.200 -0.033 0.000 1.094 295 S HN 0.234 nan 8.310 nan 0.000 0.471 296 I N 0.016 120.571 120.570 -0.025 0.000 2.603 296 I HA 0.717 4.887 4.170 0.000 0.000 0.300 296 I C 0.125 176.200 176.117 -0.070 0.000 1.017 296 I CA -1.504 59.777 61.300 -0.032 0.000 1.098 296 I CB 1.772 39.764 38.000 -0.012 0.000 1.279 296 I HN 0.738 nan 8.210 nan 0.000 0.437 297 R N 3.431 123.894 120.500 -0.060 0.000 2.774 297 R HA 0.274 4.615 4.340 0.000 0.000 0.269 297 R C 0.503 176.741 176.300 -0.103 0.000 1.068 297 R CA -0.769 55.288 56.100 -0.072 0.000 1.180 297 R CB 0.365 30.635 30.300 -0.050 0.000 1.077 297 R HN 0.572 nan 8.270 nan 0.000 0.513 298 V N 1.044 120.895 119.914 -0.105 0.000 2.343 298 V HA -0.295 3.826 4.120 0.000 0.000 0.247 298 V C 2.665 178.691 176.094 -0.114 0.000 1.051 298 V CA 2.356 64.578 62.300 -0.130 0.000 1.036 298 V CB -0.924 30.837 31.823 -0.103 0.000 0.654 298 V HN 1.039 nan 8.190 nan 0.000 0.451 299 S N 0.099 115.753 115.700 -0.076 0.000 2.392 299 S HA -0.344 4.126 4.470 0.000 0.000 0.232 299 S C 1.703 176.273 174.600 -0.051 0.000 1.041 299 S CA 2.083 60.250 58.200 -0.055 0.000 1.026 299 S CB -0.666 62.511 63.200 -0.038 0.000 0.845 299 S HN 0.641 nan 8.310 nan 0.000 0.465 300 D N 1.550 121.916 120.400 -0.056 0.000 2.103 300 D HA 0.066 4.706 4.640 0.000 0.000 0.199 300 D C 2.066 178.343 176.300 -0.039 0.000 0.978 300 D CA 1.238 55.221 54.000 -0.030 0.000 0.829 300 D CB -0.291 40.502 40.800 -0.012 0.000 0.981 300 D HN 0.448 nan 8.370 nan 0.000 0.464 301 I N 0.998 121.465 120.570 -0.171 0.000 2.151 301 I HA -0.297 3.873 4.170 0.000 0.000 0.243 301 I C 2.679 178.736 176.117 -0.100 0.000 1.080 301 I CA 1.113 62.200 61.300 -0.356 0.000 1.339 301 I CB -0.289 37.326 38.000 -0.643 0.000 1.039 301 I HN -0.046 nan 8.210 nan 0.000 0.409 302 R N 1.153 121.599 120.500 -0.090 0.000 2.115 302 R HA -0.116 4.224 4.340 0.000 0.000 0.230 302 R C 2.287 178.583 176.300 -0.008 0.000 1.111 302 R CA 1.345 57.420 56.100 -0.042 0.000 0.976 302 R CB -0.106 30.164 30.300 -0.051 0.000 0.870 302 R HN 0.353 nan 8.270 nan 0.000 0.445 303 A N 1.049 123.869 122.820 -0.001 0.000 1.898 303 A HA -0.058 4.262 4.320 0.000 0.000 0.214 303 A C 1.856 179.456 177.584 0.026 0.000 1.183 303 A CA 1.057 53.099 52.037 0.008 0.000 0.622 303 A CB -0.120 18.883 19.000 0.006 0.000 0.824 303 A HN 0.291 nan 8.150 nan 0.000 0.444 304 K N -0.815 119.625 120.400 0.067 0.000 2.062 304 K HA -0.080 4.240 4.320 0.000 0.000 0.205 304 K C 2.004 178.640 176.600 0.059 0.000 1.051 304 K CA 1.303 57.639 56.287 0.082 0.000 0.941 304 K CB -0.404 32.199 32.500 0.171 0.000 0.719 304 K HN 0.493 nan 8.250 nan 0.000 0.440 305 C N 0.789 120.155 119.300 0.109 0.000 2.440 305 C HA -0.034 4.426 4.460 0.000 0.000 0.278 305 C C 2.703 177.696 174.990 0.006 0.000 1.295 305 C CA 0.454 59.512 59.018 0.066 0.000 1.738 305 C CB -0.717 27.085 27.740 0.103 0.000 1.987 305 C HN 0.443 nan 8.230 nan 0.000 0.492 306 R N 0.616 121.119 120.500 0.005 0.000 2.075 306 R HA -0.088 4.252 4.340 0.000 0.000 0.232 306 R C 2.387 178.673 176.300 -0.023 0.000 1.126 306 R CA 1.355 57.449 56.100 -0.010 0.000 0.963 306 R CB -0.181 30.115 30.300 -0.007 0.000 0.858 306 R HN 0.510 nan 8.270 nan 0.000 0.435 307 R N -0.007 120.477 120.500 -0.027 0.000 2.090 307 R HA -0.099 4.241 4.340 0.000 0.000 0.228 307 R C 2.260 178.518 176.300 -0.070 0.000 1.110 307 R CA 1.008 57.084 56.100 -0.040 0.000 0.973 307 R CB -0.287 29.992 30.300 -0.034 0.000 0.869 307 R HN 0.176 nan 8.270 nan 0.000 0.440 308 L N 1.446 122.607 121.223 -0.103 0.000 2.217 308 L HA -0.085 4.255 4.340 0.000 0.000 0.211 308 L C 2.136 178.928 176.870 -0.129 0.000 1.107 308 L CA 1.622 56.355 54.840 -0.178 0.000 0.783 308 L CB -0.196 41.685 42.059 -0.297 0.000 0.919 308 L HN -0.022 nan 8.230 nan 0.000 0.442 309 K N -0.538 119.816 120.400 -0.077 0.000 2.026 309 K HA -0.216 4.104 4.320 0.000 0.000 0.208 309 K C 1.931 178.507 176.600 -0.041 0.000 1.048 309 K CA 2.035 58.292 56.287 -0.049 0.000 0.929 309 K CB -0.074 32.408 32.500 -0.029 0.000 0.713 309 K HN 0.516 nan 8.250 nan 0.000 0.439 310 Q N -0.514 119.263 119.800 -0.039 0.000 2.435 310 Q HA -0.093 4.247 4.340 0.000 0.000 0.207 310 Q C 1.438 177.420 176.000 -0.029 0.000 0.956 310 Q CA 0.802 56.589 55.803 -0.028 0.000 0.917 310 Q CB 0.336 29.060 28.738 -0.023 0.000 0.997 310 Q HN 0.372 nan 8.270 nan 0.000 0.497 311 E N -1.121 119.053 120.200 -0.043 0.000 2.413 311 E HA 0.078 4.428 4.350 0.000 0.000 0.203 311 E C 0.849 177.430 176.600 -0.031 0.000 0.957 311 E CA 0.301 56.678 56.400 -0.038 0.000 0.950 311 E CB 0.604 30.274 29.700 -0.050 0.000 0.957 311 E HN 0.071 nan 8.360 nan 0.000 0.497 312 S N -1.892 113.782 115.700 -0.043 0.000 3.113 312 S HA 0.376 4.846 4.470 0.000 0.000 0.265 312 S C 0.584 175.184 174.600 0.000 0.000 1.079 312 S CA 0.148 58.339 58.200 -0.014 0.000 0.892 312 S CB 1.709 64.903 63.200 -0.011 0.000 0.880 312 S HN 0.375 nan 8.310 nan 0.000 0.444 313 G N 0.605 109.393 108.800 -0.020 0.000 2.123 313 G HA2 0.286 4.246 3.960 0.000 0.000 0.100 313 G HA3 0.286 4.246 3.960 0.000 0.000 0.100 313 G C -1.009 173.886 174.900 -0.009 0.000 1.023 313 G CA -0.127 44.972 45.100 -0.002 0.000 1.101 313 G HN 0.652 nan 8.290 nan 0.000 0.331 314 L N 0.452 121.677 121.223 0.004 0.000 0.994 314 L HA 0.061 4.401 4.340 0.000 0.000 0.407 314 L C 0.844 177.722 176.870 0.013 0.000 1.003 314 L CA 0.842 55.685 54.840 0.004 0.000 1.203 314 L CB -0.689 41.359 42.059 -0.018 0.000 0.989 314 L HN 1.639 nan 8.230 nan 0.000 0.553 315 G N 4.259 113.070 108.800 0.019 0.000 2.578 315 G HA2 0.368 4.328 3.960 0.000 0.000 0.184 315 G HA3 0.368 4.328 3.960 0.000 0.000 0.184 315 G C 0.018 174.924 174.900 0.009 0.000 1.289 315 G CA 0.144 45.254 45.100 0.017 0.000 0.847 315 G HN 0.317 nan 8.290 nan 0.000 0.880 316 M N 0.917 120.520 119.600 0.006 0.000 2.433 316 M HA 0.520 5.000 4.480 0.000 0.000 0.290 316 M C -1.813 174.490 176.300 0.006 0.000 1.173 316 M CA -0.503 54.787 55.300 -0.017 0.000 0.905 316 M CB 3.205 35.779 32.600 -0.044 0.000 1.692 316 M HN -0.134 nan 8.290 nan 0.000 0.462 317 I N 2.832 123.406 120.570 0.006 0.000 2.382 317 I HA 0.395 4.565 4.170 0.000 0.000 0.286 317 I C -0.819 175.324 176.117 0.043 0.000 1.002 317 I CA -0.827 60.517 61.300 0.073 0.000 1.135 317 I CB 1.734 39.799 38.000 0.108 0.000 1.288 317 I HN 0.257 nan 8.210 nan 0.000 0.448 318 V N 7.684 127.643 119.914 0.074 0.000 2.313 318 V HA 0.411 4.532 4.120 0.000 0.000 0.278 318 V C 0.149 176.338 176.094 0.158 0.000 1.017 318 V CA -0.387 61.942 62.300 0.047 0.000 0.823 318 V CB 1.282 33.102 31.823 -0.005 0.000 1.010 318 V HN 0.498 nan 8.190 nan 0.000 0.443 319 I N 3.707 124.358 120.570 0.135 0.000 2.331 319 I HA 0.331 4.501 4.170 0.000 0.000 0.292 319 I C 0.131 176.334 176.117 0.143 0.000 0.998 319 I CA -0.217 61.183 61.300 0.166 0.000 1.267 319 I CB 1.402 39.417 38.000 0.025 0.000 1.386 319 I HN 0.494 nan 8.210 nan 0.000 0.476 320 D N 5.296 125.808 120.400 0.185 0.000 2.304 320 D HA 0.106 4.746 4.640 0.000 0.000 0.247 320 D C -0.501 175.933 176.300 0.224 0.000 1.089 320 D CA -0.130 53.994 54.000 0.206 0.000 0.910 320 D CB 0.591 41.518 40.800 0.212 0.000 1.199 320 D HN 0.327 nan 8.370 nan 0.000 0.426 321 Y N 1.737 122.069 120.300 0.053 0.000 3.064 321 Y HA -0.169 4.381 4.550 0.000 0.000 0.361 321 Y C 1.180 177.091 175.900 0.019 0.000 1.249 321 Y CA -0.417 57.706 58.100 0.038 0.000 1.605 321 Y CB 0.138 38.625 38.460 0.045 0.000 1.131 321 Y HN 0.463 nan 8.280 nan 0.000 0.589 322 L N 2.518 123.767 121.223 0.045 0.000 1.971 322 L HA -0.320 4.020 4.340 0.000 0.000 0.215 322 L C 2.265 179.064 176.870 -0.118 0.000 1.072 322 L CA 1.813 56.630 54.840 -0.039 0.000 0.758 322 L CB -0.351 41.714 42.059 0.010 0.000 0.889 322 L HN 0.858 nan 8.230 nan 0.000 0.433 323 Q N -0.492 119.253 119.800 -0.091 0.000 2.458 323 Q HA -0.225 4.115 4.340 0.000 0.000 0.215 323 Q C 1.780 177.624 176.000 -0.259 0.000 0.989 323 Q CA 1.195 56.931 55.803 -0.111 0.000 0.895 323 Q CB -0.484 28.266 28.738 0.020 0.000 0.934 323 Q HN 0.521 nan 8.270 nan 0.000 0.475 324 L N -0.113 120.823 121.223 -0.479 0.000 2.693 324 L HA 0.340 4.681 4.340 0.000 0.000 0.235 324 L C 0.585 177.296 176.870 -0.265 0.000 1.127 324 L CA -0.230 54.312 54.840 -0.498 0.000 0.914 324 L CB 0.258 41.726 42.059 -0.985 0.000 1.193 324 L HN 0.152 nan 8.230 nan 0.000 0.502 325 I N 0.576 121.026 120.570 -0.201 0.000 2.764 325 I HA 0.105 4.275 4.170 0.000 0.000 0.294 325 I C -0.167 175.887 176.117 -0.105 0.000 1.045 325 I CA -0.214 61.006 61.300 -0.134 0.000 1.340 325 I CB 1.217 39.140 38.000 -0.128 0.000 1.436 325 I HN 0.299 nan 8.210 nan 0.000 0.567 339 V N 1.823 121.725 119.914 -0.019 0.000 2.649 339 V HA -0.118 4.002 4.120 0.000 0.000 0.248 339 V C 2.170 178.252 176.094 -0.019 0.000 1.054 339 V CA 2.460 64.747 62.300 -0.022 0.000 1.073 339 V CB 0.018 31.832 31.823 -0.015 0.000 0.699 339 V HN 0.385 nan 8.190 nan 0.000 0.463 340 S N -0.296 115.396 115.700 -0.014 0.000 2.419 340 S HA -0.209 4.261 4.470 0.000 0.000 0.235 340 S C 1.730 176.319 174.600 -0.018 0.000 1.019 340 S CA 1.708 59.901 58.200 -0.013 0.000 0.982 340 S CB -0.602 62.593 63.200 -0.008 0.000 0.789 340 S HN 0.802 nan 8.310 nan 0.000 0.490 341 E N 0.450 120.638 120.200 -0.021 0.000 2.358 341 E HA 0.161 4.512 4.350 0.000 0.000 0.195 341 E C 1.684 178.265 176.600 -0.032 0.000 1.010 341 E CA 0.546 56.932 56.400 -0.025 0.000 0.856 341 E CB -0.124 29.562 29.700 -0.023 0.000 0.795 341 E HN 0.610 nan 8.360 nan 0.000 0.504 342 I N -0.090 120.459 120.570 -0.035 0.000 2.556 342 I HA -0.165 4.005 4.170 0.000 0.000 0.251 342 I C 2.540 178.630 176.117 -0.044 0.000 1.105 342 I CA 0.245 61.518 61.300 -0.046 0.000 1.436 342 I CB -0.081 37.888 38.000 -0.052 0.000 1.139 342 I HN 0.003 nan 8.210 nan 0.000 0.438 343 S N 1.028 116.707 115.700 -0.035 0.000 2.368 343 S HA -0.318 4.152 4.470 0.000 0.000 0.226 343 S C 2.267 176.847 174.600 -0.033 0.000 1.044 343 S CA 2.000 60.181 58.200 -0.031 0.000 1.062 343 S CB -0.327 62.861 63.200 -0.021 0.000 0.931 343 S HN 0.258 nan 8.310 nan 0.000 0.440 344 R N 0.053 120.534 120.500 -0.031 0.000 2.113 344 R HA -0.097 4.243 4.340 0.000 0.000 0.244 344 R C 2.669 178.948 176.300 -0.036 0.000 1.142 344 R CA 1.881 57.962 56.100 -0.031 0.000 0.953 344 R CB -0.722 29.560 30.300 -0.029 0.000 0.860 344 R HN 0.436 nan 8.270 nan 0.000 0.438 345 S N 0.009 115.685 115.700 -0.041 0.000 2.383 345 S HA 0.004 4.474 4.470 0.000 0.000 0.227 345 S C 1.829 176.398 174.600 -0.051 0.000 1.026 345 S CA 0.767 58.939 58.200 -0.046 0.000 0.981 345 S CB -0.051 63.118 63.200 -0.052 0.000 0.818 345 S HN 0.276 nan 8.310 nan 0.000 0.472 346 L N 0.970 122.160 121.223 -0.055 0.000 2.056 346 L HA -0.094 4.246 4.340 0.000 0.000 0.207 346 L C 2.564 179.407 176.870 -0.045 0.000 1.078 346 L CA 1.397 56.203 54.840 -0.058 0.000 0.749 346 L CB -0.605 41.418 42.059 -0.061 0.000 0.901 346 L HN 0.265 nan 8.230 nan 0.000 0.433 347 K N 1.189 121.567 120.400 -0.038 0.000 2.063 347 K HA -0.160 4.160 4.320 0.000 0.000 0.208 347 K C 1.936 178.517 176.600 -0.030 0.000 1.048 347 K CA 1.860 58.128 56.287 -0.032 0.000 0.928 347 K CB -0.393 32.089 32.500 -0.029 0.000 0.713 347 K HN 0.211 nan 8.250 nan 0.000 0.442 348 A N 0.184 122.984 122.820 -0.033 0.000 2.066 348 A HA 0.001 4.321 4.320 0.000 0.000 0.218 348 A C 2.022 179.589 177.584 -0.029 0.000 1.157 348 A CA 1.195 53.214 52.037 -0.030 0.000 0.670 348 A CB -0.518 18.463 19.000 -0.031 0.000 0.804 348 A HN 0.375 nan 8.150 nan 0.000 0.453 349 L N -0.370 120.832 121.223 -0.034 0.000 2.044 349 L HA 0.071 4.411 4.340 0.000 0.000 0.205 349 L C 2.612 179.468 176.870 -0.024 0.000 1.075 349 L CA 2.062 56.882 54.840 -0.032 0.000 0.747 349 L CB -0.818 41.214 42.059 -0.045 0.000 0.903 349 L HN 0.286 nan 8.230 nan 0.000 0.435 350 A N -0.366 122.439 122.820 -0.025 0.000 1.908 350 A HA -0.271 4.049 4.320 0.000 0.000 0.218 350 A C 2.470 180.046 177.584 -0.013 0.000 1.181 350 A CA 1.979 54.005 52.037 -0.019 0.000 0.627 350 A CB -0.619 18.368 19.000 -0.021 0.000 0.818 350 A HN 0.460 nan 8.150 nan 0.000 0.445 351 R N -0.397 120.094 120.500 -0.015 0.000 2.081 351 R HA -0.099 4.241 4.340 0.000 0.000 0.235 351 R C 2.206 178.499 176.300 -0.012 0.000 1.131 351 R CA 1.712 57.804 56.100 -0.013 0.000 0.960 351 R CB -0.284 30.006 30.300 -0.017 0.000 0.856 351 R HN 0.722 nan 8.270 nan 0.000 0.436 352 E N -0.664 119.528 120.200 -0.014 0.000 2.208 352 E HA -0.126 4.224 4.350 0.000 0.000 0.193 352 E C 0.554 177.148 176.600 -0.009 0.000 0.988 352 E CA 0.769 57.162 56.400 -0.012 0.000 0.828 352 E CB 0.269 29.960 29.700 -0.015 0.000 0.763 352 E HN 0.176 nan 8.360 nan 0.000 0.478 353 L N 0.952 122.169 121.223 -0.009 0.000 2.693 353 L HA 0.145 4.486 4.340 0.000 0.000 0.235 353 L C -0.156 176.712 176.870 -0.003 0.000 1.127 353 L CA 0.449 55.285 54.840 -0.006 0.000 0.914 353 L CB 0.130 42.186 42.059 -0.004 0.000 1.193 353 L HN 0.010 nan 8.230 nan 0.000 0.502 354 E N -0.289 119.909 120.200 -0.002 0.000 2.210 354 E HA -0.191 4.159 4.350 0.000 0.000 0.201 354 E C -0.665 175.938 176.600 0.005 0.000 1.339 354 E CA 0.093 56.494 56.400 0.002 0.000 0.699 354 E CB -1.120 28.581 29.700 0.002 0.000 1.126 354 E HN 0.082 nan 8.360 nan 0.000 0.355 355 V N 1.079 120.995 119.914 0.003 0.000 2.817 355 V HA 0.292 4.412 4.120 0.000 0.000 0.303 355 V C -2.198 173.892 176.094 -0.006 0.000 1.151 355 V CA -1.587 60.714 62.300 0.003 0.000 0.929 355 V CB 2.492 34.317 31.823 0.002 0.000 1.030 355 V HN 0.075 nan 8.190 nan 0.000 0.427 356 P HA 0.154 nan 4.420 nan 0.000 0.271 356 P C -0.607 176.642 177.300 -0.085 0.000 1.226 356 P CA 0.200 63.275 63.100 -0.041 0.000 0.765 356 P CB 1.071 32.749 31.700 -0.036 0.000 0.835 357 V N 6.331 126.198 119.914 -0.079 0.000 2.383 357 V HA 0.247 4.367 4.120 0.000 0.000 0.275 357 V C 0.841 176.862 176.094 -0.121 0.000 1.036 357 V CA -0.434 61.820 62.300 -0.077 0.000 0.889 357 V CB 0.925 32.719 31.823 -0.048 0.000 0.985 357 V HN 0.412 nan 8.190 nan 0.000 0.459 358 I N 5.091 125.577 120.570 -0.140 0.000 2.310 358 I HA 0.452 4.622 4.170 0.000 0.000 0.287 358 I C 0.655 176.735 176.117 -0.061 0.000 1.073 358 I CA -0.161 61.044 61.300 -0.158 0.000 1.216 358 I CB 1.014 38.862 38.000 -0.254 0.000 1.415 358 I HN 0.664 nan 8.210 nan 0.000 0.480 359 A N 7.905 130.701 122.820 -0.041 0.000 2.289 359 A HA 0.662 4.982 4.320 0.000 0.000 0.298 359 A C -0.284 177.317 177.584 0.029 0.000 1.208 359 A CA -0.382 51.654 52.037 -0.002 0.000 0.845 359 A CB 0.417 19.409 19.000 -0.013 0.000 1.125 359 A HN 0.681 nan 8.150 nan 0.000 0.517 360 L N 1.956 123.225 121.223 0.075 0.000 2.375 360 L HA 0.597 4.937 4.340 0.000 0.000 0.271 360 L C 0.739 177.696 176.870 0.145 0.000 1.107 360 L CA -0.144 54.763 54.840 0.111 0.000 0.806 360 L CB 1.660 43.802 42.059 0.138 0.000 1.146 360 L HN 0.701 nan 8.230 nan 0.000 0.447 361 S N 1.217 116.997 115.700 0.135 0.000 2.569 361 S HA 0.434 4.904 4.470 0.000 0.000 0.280 361 S C -1.256 173.436 174.600 0.153 0.000 1.111 361 S CA -0.634 57.660 58.200 0.157 0.000 0.887 361 S CB 1.928 65.195 63.200 0.110 0.000 1.095 361 S HN 0.615 nan 8.310 nan 0.000 0.476 362 Q N 2.908 122.818 119.800 0.182 0.000 2.331 362 Q HA 0.632 4.972 4.340 0.000 0.000 0.267 362 Q C -1.131 174.941 176.000 0.121 0.000 1.006 362 Q CA -0.669 55.212 55.803 0.130 0.000 0.818 362 Q CB 1.139 29.962 28.738 0.142 0.000 1.276 362 Q HN 0.713 nan 8.270 nan 0.000 0.450 375 P HA 0.494 nan 4.420 nan 0.000 0.307 375 P C -0.810 176.094 177.300 -0.660 0.000 1.307 375 P CA -0.618 62.127 63.100 -0.591 0.000 0.814 375 P CB 1.281 32.499 31.700 -0.802 0.000 1.311 376 M N -2.726 116.466 119.600 -0.681 0.000 3.767 376 M HA 0.382 4.863 4.480 0.000 0.000 0.327 376 M C 0.101 176.269 176.300 -0.219 0.000 1.529 376 M CA -0.805 54.232 55.300 -0.438 0.000 0.871 376 M CB 0.472 32.950 32.600 -0.203 0.000 2.008 376 M HN -0.127 nan 8.290 nan 0.000 0.485 377 M N 1.311 120.934 119.600 0.039 0.000 2.077 377 M HA -0.043 4.437 4.480 0.000 0.000 0.261 377 M C 2.206 178.564 176.300 0.097 0.000 1.070 377 M CA 2.761 58.160 55.300 0.165 0.000 1.125 377 M CB -1.424 31.252 32.600 0.127 0.000 1.339 377 M HN 0.957 nan 8.290 nan 0.000 0.409 378 S N -0.182 115.536 115.700 0.030 0.000 2.537 378 S HA -0.130 4.341 4.470 0.000 0.000 0.240 378 S C 1.262 175.869 174.600 0.012 0.000 0.981 378 S CA 1.004 59.215 58.200 0.018 0.000 0.948 378 S CB -0.596 62.604 63.200 -0.000 0.000 0.759 378 S HN 0.370 nan 8.310 nan 0.000 0.531 379 D N 2.505 122.902 120.400 -0.004 0.000 2.117 379 D HA -0.034 4.607 4.640 0.000 0.000 0.198 379 D C 1.994 178.320 176.300 0.045 0.000 0.982 379 D CA 1.614 55.608 54.000 -0.010 0.000 0.828 379 D CB -0.253 40.496 40.800 -0.086 0.000 0.967 379 D HN 0.699 nan 8.370 nan 0.000 0.464 380 I N -1.010 119.621 120.570 0.101 0.000 2.585 380 I HA 0.077 4.247 4.170 0.000 0.000 0.254 380 I C 2.420 178.581 176.117 0.073 0.000 1.129 380 I CA 0.064 61.428 61.300 0.108 0.000 1.455 380 I CB -0.227 37.865 38.000 0.154 0.000 1.111 380 I HN -0.228 nan 8.210 nan 0.000 0.433 381 R N 2.208 122.750 120.500 0.070 0.000 2.112 381 R HA -0.221 4.119 4.340 0.000 0.000 0.242 381 R C 2.016 178.336 176.300 0.032 0.000 1.137 381 R CA 2.125 58.253 56.100 0.047 0.000 0.944 381 R CB -0.797 29.529 30.300 0.043 0.000 0.857 381 R HN 0.502 nan 8.270 nan 0.000 0.435 382 E N -0.026 120.191 120.200 0.028 0.000 2.331 382 E HA -0.096 4.254 4.350 0.000 0.000 0.199 382 E C -0.142 176.470 176.600 0.020 0.000 1.008 382 E CA 1.146 57.558 56.400 0.020 0.000 0.843 382 E CB -0.091 29.618 29.700 0.015 0.000 0.761 382 E HN 0.416 nan 8.360 nan 0.000 0.507 383 S N 0.128 115.844 115.700 0.027 0.000 2.457 383 S HA 0.516 4.986 4.470 0.000 0.000 0.216 383 S C 0.148 174.762 174.600 0.023 0.000 1.392 383 S CA -0.294 57.921 58.200 0.026 0.000 1.102 383 S CB 1.000 64.220 63.200 0.033 0.000 1.114 383 S HN 0.241 nan 8.310 nan 0.000 0.484 384 G N 2.054 110.863 108.800 0.015 0.000 3.413 384 G HA2 -0.084 3.877 3.960 0.000 0.000 0.556 384 G HA3 -0.084 3.877 3.960 0.000 0.000 0.556 384 G C 0.379 175.285 174.900 0.011 0.000 0.870 384 G CA 0.220 45.326 45.100 0.009 0.000 0.729 384 G HN 1.762 nan 8.290 nan 0.000 0.428 385 S N 2.816 118.521 115.700 0.007 0.000 2.368 385 S HA -0.438 4.032 4.470 0.000 0.000 0.537 385 S C 2.295 176.900 174.600 0.009 0.000 0.914 385 S CA 3.314 61.517 58.200 0.006 0.000 3.388 385 S CB -0.812 62.388 63.200 -0.001 0.000 2.356 385 S HN 2.277 nan 8.310 nan 0.000 0.581 386 I N -0.888 119.683 120.570 0.002 0.000 4.497 386 I HA -0.442 3.728 4.170 0.000 0.000 0.059 386 I C 1.782 177.898 176.117 -0.002 0.000 0.607 386 I CA 2.213 63.512 61.300 -0.001 0.000 0.958 386 I CB -1.647 36.357 38.000 0.007 0.000 0.864 386 I HN 0.771 nan 8.210 nan 0.000 0.166 387 E N 0.688 120.893 120.200 0.007 0.000 2.095 387 E HA -0.350 4.000 4.350 0.000 0.000 0.212 387 E C 1.693 178.293 176.600 0.000 0.000 1.044 387 E CA 2.732 59.137 56.400 0.008 0.000 0.857 387 E CB -0.065 29.646 29.700 0.019 0.000 0.764 387 E HN 0.707 nan 8.360 nan 0.000 0.462 388 Q N -0.252 119.547 119.800 -0.001 0.000 2.403 388 Q HA 0.022 4.362 4.340 0.000 0.000 0.203 388 Q C 0.832 176.826 176.000 -0.011 0.000 0.932 388 Q CA 0.813 56.613 55.803 -0.005 0.000 0.945 388 Q CB 0.560 29.296 28.738 -0.004 0.000 1.045 388 Q HN 0.307 nan 8.270 nan 0.000 0.511 389 D N 0.700 121.092 120.400 -0.013 0.000 2.490 389 D HA 0.108 4.749 4.640 0.000 0.000 0.244 389 D C 0.312 176.601 176.300 -0.018 0.000 0.979 389 D CA 0.463 54.452 54.000 -0.018 0.000 0.924 389 D CB -0.045 40.743 40.800 -0.020 0.000 1.075 389 D HN 0.182 nan 8.370 nan 0.000 0.488 390 A N 1.743 124.552 122.820 -0.019 0.000 2.454 390 A HA 0.155 4.475 4.320 0.000 0.000 0.260 390 A C 0.269 177.843 177.584 -0.016 0.000 1.106 390 A CA -0.166 51.858 52.037 -0.022 0.000 0.780 390 A CB 0.214 19.195 19.000 -0.032 0.000 1.044 390 A HN 0.029 nan 8.150 nan 0.000 0.498 391 D N 1.206 121.601 120.400 -0.008 0.000 2.349 391 D HA 0.186 4.826 4.640 0.000 0.000 0.214 391 D C 0.187 176.492 176.300 0.007 0.000 1.063 391 D CA 0.272 54.272 54.000 0.000 0.000 0.847 391 D CB 0.129 40.933 40.800 0.006 0.000 0.933 391 D HN 0.454 nan 8.370 nan 0.000 0.513 392 I N -0.064 120.508 120.570 0.004 0.000 2.586 392 I HA 0.329 4.499 4.170 0.000 0.000 0.288 392 I C -2.009 174.088 176.117 -0.034 0.000 1.147 392 I CA -0.981 60.324 61.300 0.009 0.000 1.047 392 I CB 1.918 39.960 38.000 0.070 0.000 1.244 392 I HN -0.335 nan 8.210 nan 0.000 0.429 393 V N 7.505 127.363 119.914 -0.094 0.000 2.349 393 V HA 0.724 4.844 4.120 0.000 0.000 0.284 393 V C 0.440 176.325 176.094 -0.348 0.000 1.014 393 V CA -0.346 61.813 62.300 -0.235 0.000 0.826 393 V CB 1.092 32.749 31.823 -0.278 0.000 1.009 393 V HN 0.810 nan 8.190 nan 0.000 0.431 394 A N 4.996 127.630 122.820 -0.309 0.000 2.295 394 A HA 0.929 5.249 4.320 0.000 0.000 0.318 394 A C -1.007 176.318 177.584 -0.431 0.000 1.134 394 A CA -0.369 51.515 52.037 -0.255 0.000 0.827 394 A CB 0.800 19.785 19.000 -0.025 0.000 1.136 394 A HN 0.662 nan 8.150 nan 0.000 0.493 395 F N 0.838 120.762 119.950 -0.045 0.000 2.529 395 F HA 0.458 4.985 4.527 0.000 0.000 0.320 395 F C -0.182 175.553 175.800 -0.108 0.000 1.118 395 F CA -0.538 57.427 58.000 -0.059 0.000 0.915 395 F CB 1.986 40.953 39.000 -0.055 0.000 1.161 395 F HN 0.333 nan 8.300 nan 0.000 0.445 396 L N 4.244 125.526 121.223 0.098 0.000 2.289 396 L HA 0.454 4.794 4.340 0.000 0.000 0.285 396 L C -0.981 175.957 176.870 0.114 0.000 1.049 396 L CA -0.747 54.073 54.840 -0.033 0.000 0.804 396 L CB 1.300 43.263 42.059 -0.161 0.000 1.195 396 L HN 0.587 nan 8.230 nan 0.000 0.428 414 I N 4.263 124.796 120.570 -0.063 0.000 2.297 414 I HA 0.334 4.504 4.170 0.000 0.000 0.291 414 I C -0.205 175.900 176.117 -0.020 0.000 1.033 414 I CA -0.460 60.769 61.300 -0.118 0.000 1.253 414 I CB 0.555 38.428 38.000 -0.211 0.000 1.396 414 I HN 0.336 nan 8.210 nan 0.000 0.476 415 I N 7.795 128.387 120.570 0.037 0.000 2.306 415 I HA 0.293 4.463 4.170 0.000 0.000 0.288 415 I C 0.021 176.176 176.117 0.065 0.000 1.036 415 I CA -0.359 60.988 61.300 0.078 0.000 1.221 415 I CB 0.821 38.901 38.000 0.134 0.000 1.385 415 I HN 0.418 nan 8.210 nan 0.000 0.472 416 I N 6.091 126.677 120.570 0.026 0.000 2.278 416 I HA 0.173 4.343 4.170 0.000 0.000 0.296 416 I C 1.342 177.470 176.117 0.018 0.000 1.121 416 I CA 0.159 61.461 61.300 0.002 0.000 1.267 416 I CB 1.111 39.117 38.000 0.009 0.000 1.447 416 I HN 0.716 nan 8.210 nan 0.000 0.509 417 A N 6.153 128.982 122.820 0.015 0.000 2.030 417 A HA 0.069 4.389 4.320 0.000 0.000 0.215 417 A C 1.076 178.678 177.584 0.030 0.000 1.164 417 A CA 0.793 52.872 52.037 0.070 0.000 0.697 417 A CB 0.209 19.336 19.000 0.213 0.000 0.827 417 A HN 0.612 nan 8.150 nan 0.000 0.457 418 K N 0.090 120.483 120.400 -0.012 0.000 2.468 418 K HA 0.473 4.793 4.320 0.000 0.000 0.252 418 K C -1.524 175.071 176.600 -0.007 0.000 0.932 418 K CA -0.562 55.722 56.287 -0.005 0.000 0.794 418 K CB 1.368 33.862 32.500 -0.010 0.000 1.241 418 K HN 0.479 nan 8.250 nan 0.000 0.428 419 Q N 3.103 122.905 119.800 0.004 0.000 2.426 419 Q HA 0.349 4.690 4.340 0.000 0.000 0.278 419 Q C -0.875 175.131 176.000 0.010 0.000 1.007 419 Q CA -0.792 55.017 55.803 0.011 0.000 0.850 419 Q CB 1.725 30.473 28.738 0.016 0.000 1.427 419 Q HN 0.651 nan 8.270 nan 0.000 0.391 420 R N 0.642 121.150 120.500 0.013 0.000 2.265 420 R HA 0.157 4.497 4.340 0.000 0.000 0.194 420 R C 1.057 177.363 176.300 0.010 0.000 0.931 420 R CA 0.325 56.432 56.100 0.010 0.000 1.032 420 R CB 0.277 30.582 30.300 0.009 0.000 0.980 420 R HN 0.634 nan 8.270 nan 0.000 0.497 421 N N 0.042 118.750 118.700 0.013 0.000 2.104 421 N HA -0.103 4.637 4.740 0.000 0.000 0.190 421 N C 1.237 176.749 175.510 0.005 0.000 1.024 421 N CA 1.908 54.963 53.050 0.009 0.000 0.853 421 N CB 0.133 38.624 38.487 0.007 0.000 1.008 421 N HN 0.379 nan 8.380 nan 0.000 0.424 422 G N -0.498 108.304 108.800 0.005 0.000 2.445 422 G HA2 0.062 4.022 3.960 0.000 0.000 0.104 422 G HA3 0.062 4.022 3.960 0.000 0.000 0.104 422 G C -2.591 172.312 174.900 0.004 0.000 0.958 422 G CA -0.481 44.621 45.100 0.004 0.000 1.324 422 G HN 0.110 nan 8.290 nan 0.000 0.549 423 P HA 0.524 nan 4.420 nan 0.000 0.269 423 P C -0.765 176.539 177.300 0.006 0.000 1.209 423 P CA -0.079 63.023 63.100 0.004 0.000 0.776 423 P CB 1.668 33.369 31.700 0.001 0.000 0.876 424 V N 2.098 122.017 119.914 0.008 0.000 2.531 424 V HA 0.842 4.962 4.120 0.000 0.000 0.301 424 V C 0.535 176.637 176.094 0.012 0.000 1.034 424 V CA 0.184 62.491 62.300 0.012 0.000 0.865 424 V CB 1.338 33.170 31.823 0.015 0.000 0.995 424 V HN 0.948 nan 8.190 nan 0.000 0.424 425 G N 3.165 111.974 108.800 0.015 0.000 2.348 425 G HA2 0.475 4.435 3.960 0.000 0.000 0.296 425 G HA3 0.475 4.435 3.960 0.000 0.000 0.296 425 G C -1.058 173.852 174.900 0.017 0.000 1.258 425 G CA -0.351 44.757 45.100 0.014 0.000 0.868 425 G HN 0.455 nan 8.290 nan 0.000 0.488 426 T N 0.576 115.139 114.554 0.015 0.000 2.770 426 T HA 0.588 4.939 4.350 0.000 0.000 0.283 426 T C -0.418 174.289 174.700 0.012 0.000 0.988 426 T CA -0.250 61.860 62.100 0.017 0.000 0.957 426 T CB 1.507 70.388 68.868 0.022 0.000 0.930 426 T HN 0.550 nan 8.240 nan 0.000 0.443 427 V N 4.029 123.946 119.914 0.005 0.000 2.398 427 V HA 0.425 4.545 4.120 0.000 0.000 0.286 427 V C 0.021 176.109 176.094 -0.009 0.000 1.026 427 V CA -0.838 61.462 62.300 0.001 0.000 0.868 427 V CB 1.662 33.486 31.823 0.001 0.000 0.982 427 V HN 0.787 nan 8.190 nan 0.000 0.443 428 Q N 3.770 123.570 119.800 0.000 0.000 2.290 428 Q HA 0.664 5.004 4.340 0.000 0.000 0.259 428 Q C -1.339 174.659 176.000 -0.004 0.000 0.941 428 Q CA -0.291 55.514 55.803 0.003 0.000 0.912 428 Q CB 1.480 30.229 28.738 0.018 0.000 1.244 428 Q HN 0.667 nan 8.270 nan 0.000 0.441 429 L N 1.958 123.178 121.223 -0.004 0.000 2.342 429 L HA 0.796 5.136 4.340 0.000 0.000 0.271 429 L C -0.459 176.476 176.870 0.108 0.000 1.008 429 L CA -1.130 53.720 54.840 0.016 0.000 0.818 429 L CB 1.919 43.943 42.059 -0.059 0.000 1.296 429 L HN 0.668 nan 8.230 nan 0.000 0.427 430 A N 1.924 124.807 122.820 0.104 0.000 2.302 430 A HA 0.632 4.952 4.320 0.000 0.000 0.285 430 A C -1.238 176.460 177.584 0.190 0.000 1.105 430 A CA -0.127 51.981 52.037 0.118 0.000 0.816 430 A CB 0.703 19.738 19.000 0.060 0.000 1.067 430 A HN 0.503 nan 8.150 nan 0.000 0.489 431 F N 2.231 122.133 119.950 -0.079 0.000 2.562 431 F HA 0.480 5.007 4.527 0.000 0.000 0.319 431 F C 0.293 175.994 175.800 -0.165 0.000 1.154 431 F CA -0.888 56.959 58.000 -0.255 0.000 0.931 431 F CB 1.191 39.928 39.000 -0.438 0.000 1.198 431 F HN 0.500 nan 8.300 nan 0.000 0.444 432 I N 4.036 124.204 120.570 -0.670 0.000 2.296 432 I HA -0.106 4.064 4.170 0.000 0.000 0.242 432 I C 1.586 177.381 176.117 -0.537 0.000 1.087 432 I CA 0.905 61.952 61.300 -0.422 0.000 1.393 432 I CB -0.140 37.758 38.000 -0.170 0.000 1.093 432 I HN 0.841 nan 8.210 nan 0.000 0.421 433 K N -0.857 119.002 120.400 -0.901 0.000 8.159 433 K HA -0.287 4.033 4.320 0.000 0.000 0.490 433 K C 1.446 177.853 176.600 -0.323 0.000 0.365 433 K CA 1.520 57.464 56.287 -0.572 0.000 1.964 433 K CB -1.079 31.261 32.500 -0.266 0.000 0.644 433 K HN 0.075 nan 8.250 nan 0.000 0.917 434 E N 0.039 120.066 120.200 -0.290 0.000 2.097 434 E HA -0.169 4.181 4.350 0.000 0.000 0.196 434 E C 1.493 177.824 176.600 -0.448 0.000 1.000 434 E CA 2.237 58.417 56.400 -0.367 0.000 0.804 434 E CB -0.143 29.281 29.700 -0.460 0.000 0.740 434 E HN 0.514 nan 8.360 nan 0.000 0.454 435 Y N -0.771 119.424 120.300 -0.174 0.000 2.457 435 Y HA 0.150 4.700 4.550 0.000 0.000 0.263 435 Y C 0.652 176.458 175.900 -0.155 0.000 1.164 435 Y CA -0.025 57.992 58.100 -0.138 0.000 1.274 435 Y CB 0.361 38.751 38.460 -0.117 0.000 1.097 435 Y HN -0.054 nan 8.280 nan 0.000 0.523 436 N N 1.070 119.678 118.700 -0.152 0.000 2.747 436 N HA -0.228 4.512 4.740 0.000 0.000 0.249 436 N C -0.978 174.455 175.510 -0.127 0.000 1.107 436 N CA 0.605 53.547 53.050 -0.180 0.000 0.707 436 N CB -0.901 37.577 38.487 -0.014 0.000 1.054 436 N HN 0.295 nan 8.380 nan 0.000 0.555 437 K N -0.069 120.191 120.400 -0.233 0.000 2.164 437 K HA 0.338 4.658 4.320 0.000 0.000 0.258 437 K C -0.301 176.241 176.600 -0.097 0.000 0.951 437 K CA -0.529 55.735 56.287 -0.039 0.000 0.844 437 K CB 0.800 33.310 32.500 0.017 0.000 1.099 437 K HN 0.015 nan 8.250 nan 0.000 0.435 438 F N 1.700 121.806 119.950 0.261 0.000 2.404 438 F HA 0.266 4.793 4.527 0.000 0.000 0.345 438 F C 0.104 175.916 175.800 0.020 0.000 1.110 438 F CA -0.601 57.516 58.000 0.196 0.000 1.130 438 F CB 1.315 40.429 39.000 0.191 0.000 1.129 438 F HN 0.044 nan 8.300 nan 0.000 0.500 439 V N 3.571 123.555 119.914 0.118 0.000 2.823 439 V HA 0.297 4.417 4.120 0.000 0.000 0.312 439 V C -0.081 176.020 176.094 0.012 0.000 1.072 439 V CA -1.463 60.887 62.300 0.083 0.000 0.937 439 V CB 1.828 33.694 31.823 0.071 0.000 1.013 439 V HN 0.642 nan 8.190 nan 0.000 0.430 440 N N 1.367 120.115 118.700 0.081 0.000 2.267 440 N HA 0.260 5.000 4.740 0.000 0.000 0.226 440 N C -0.625 174.914 175.510 0.048 0.000 1.314 440 N CA 0.061 53.157 53.050 0.077 0.000 0.887 440 N CB 0.766 39.334 38.487 0.134 0.000 1.120 440 N HN 0.415 nan 8.380 nan 0.000 0.440 441 L N 0.000 121.249 121.223 0.043 0.000 2.949 441 L HA 0.000 4.340 4.340 0.000 0.000 0.249 441 L CA 0.000 54.860 54.840 0.033 0.000 0.813 441 L CB 0.000 42.075 42.059 0.027 0.000 0.961 441 L HN 0.000 nan 8.230 nan 0.000 0.502