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 3ia7_1_B DATA FIRST_RESID 2 DATA SEQUENCE RQRHILFANV QGHGHVYPSL GLVSELARRG HRITYVTTPL FADEVKAAGA DATA SEQUENCE EVVLYKSEFD XXXXXXXXXX XDAETQLHLV YVRENVAILR AAEEALGDNP DATA SEQUENCE PDLVVYDVFP FIAGRLLAAR WDRPAVRLTG GFAANEHYSL FKELWKSNGQ DATA SEQUENCE RHPADVEAVH SVLVDLLGKY GVDTPVKEYW DEIEGLTIVF LPKSFQPFAE DATA SEQUENCE TFDERFAFVG PTLXXXXXQP GWQPPRPDAP VLLVSLGNQF NEHPEFFRAC DATA SEQUENCE AQAFADTPWH VVXAIGGFLD PAVLGPLPPN VEAHQWIPFH SVLAHARACL DATA SEQUENCE THGTTGAVLE AFAAGVPLVL VPHFATEAAP SAERVIELGL GSVLRPDQLE DATA SEQUENCE PASIREAVER LAADSAVRER VRRXQRDILS SGGPARAADE VEAYLGRVAP 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.390 176.300 0.150 0.000 0.893 2 R CA 0.000 56.153 56.100 0.089 0.000 0.921 2 R CB 0.000 30.357 30.300 0.094 0.000 0.687 3 Q N 2.914 122.787 119.800 0.123 0.000 2.274 3 Q HA 0.392 4.732 4.340 -0.000 0.000 0.256 3 Q C -0.406 175.768 176.000 0.290 0.000 0.927 3 Q CA -0.573 55.349 55.803 0.199 0.000 0.939 3 Q CB 1.246 30.038 28.738 0.091 0.000 1.201 3 Q HN 0.054 nan 8.270 nan 0.000 0.426 4 R N 1.437 122.239 120.500 0.504 0.000 2.514 4 R HA 0.262 4.602 4.340 -0.000 0.000 0.301 4 R C -0.726 175.685 176.300 0.186 0.000 0.962 4 R CA -0.618 55.563 56.100 0.135 0.000 0.882 4 R CB 1.178 31.366 30.300 -0.187 0.000 1.143 4 R HN 0.717 nan 8.270 nan 0.000 0.452 5 H N 3.339 122.421 119.070 0.020 0.000 2.723 5 H HA 0.336 4.892 4.556 -0.000 0.000 0.294 5 H C -0.597 174.730 175.328 -0.002 0.000 1.079 5 H CA -0.394 55.664 56.048 0.016 0.000 1.411 5 H CB 0.435 30.185 29.762 -0.020 0.000 1.439 5 H HN 0.383 nan 8.280 nan 0.000 0.474 6 I N 6.724 127.420 120.570 0.210 0.000 2.382 6 I HA 0.088 4.258 4.170 -0.000 0.000 0.286 6 I C -0.834 175.372 176.117 0.147 0.000 1.002 6 I CA -0.760 60.595 61.300 0.091 0.000 1.135 6 I CB 1.769 39.877 38.000 0.179 0.000 1.288 6 I HN 0.439 nan 8.210 nan 0.000 0.448 7 L N 7.403 128.606 121.223 -0.033 0.000 2.264 7 L HA 0.512 4.852 4.340 -0.000 0.000 0.289 7 L C -1.133 175.752 176.870 0.025 0.000 1.044 7 L CA 0.264 55.135 54.840 0.052 0.000 0.807 7 L CB 0.385 42.419 42.059 -0.041 0.000 1.192 7 L HN 0.289 nan 8.230 nan 0.000 0.425 8 F N 4.833 124.731 119.950 -0.088 0.000 2.424 8 F HA 0.566 5.093 4.527 -0.000 0.000 0.356 8 F C 0.736 176.346 175.800 -0.316 0.000 1.110 8 F CA -0.353 57.481 58.000 -0.277 0.000 1.161 8 F CB 1.208 39.844 39.000 -0.607 0.000 1.115 8 F HN 0.639 nan 8.300 nan 0.000 0.507 9 A N 4.362 127.121 122.820 -0.101 0.000 2.258 9 A HA 0.601 4.921 4.320 -0.000 0.000 0.316 9 A C -0.711 176.833 177.584 -0.066 0.000 1.279 9 A CA -0.471 51.523 52.037 -0.072 0.000 0.876 9 A CB 0.511 19.501 19.000 -0.016 0.000 1.170 9 A HN 0.674 nan 8.150 nan 0.000 0.520 10 N N 1.066 119.706 118.700 -0.101 0.000 2.331 10 N HA 0.391 5.131 4.740 -0.000 0.000 0.280 10 N C -1.217 174.294 175.510 0.002 0.000 1.155 10 N CA -0.346 52.699 53.050 -0.009 0.000 0.822 10 N CB 2.246 40.754 38.487 0.034 0.000 1.619 10 N HN 0.445 nan 8.380 nan 0.000 0.476 11 V N 1.894 121.767 119.914 -0.067 0.000 2.953 11 V HA 0.324 4.444 4.120 -0.000 0.000 0.304 11 V C 0.470 176.532 176.094 -0.054 0.000 1.073 11 V CA -0.231 61.973 62.300 -0.159 0.000 1.064 11 V CB 1.121 32.500 31.823 -0.740 0.000 1.047 11 V HN 0.799 nan 8.190 nan 0.000 0.478 12 Q N 3.943 123.781 119.800 0.063 0.000 2.443 12 Q HA 0.606 4.946 4.340 -0.000 0.000 0.232 12 Q C 0.010 175.880 176.000 -0.216 0.000 1.026 12 Q CA 0.106 55.894 55.803 -0.026 0.000 0.924 12 Q CB 1.004 29.881 28.738 0.231 0.000 1.256 12 Q HN 1.657 nan 8.270 nan 0.000 0.519 13 G N 0.309 108.846 108.800 -0.439 0.000 2.764 13 G HA2 -0.093 3.866 3.960 -0.000 0.000 0.678 13 G HA3 -0.093 3.866 3.960 -0.000 0.000 0.678 13 G C -0.716 173.995 174.900 -0.315 0.000 1.341 13 G CA -0.220 44.791 45.100 -0.147 0.000 0.836 13 G HN 0.803 nan 8.290 nan 0.000 0.632 14 H N 1.247 120.291 119.070 -0.043 0.000 2.319 14 H HA -0.039 4.517 4.556 -0.000 0.000 0.299 14 H C 2.889 178.219 175.328 0.005 0.000 1.092 14 H CA 3.153 59.216 56.048 0.025 0.000 1.302 14 H CB -0.079 29.785 29.762 0.171 0.000 1.373 14 H HN 0.829 nan 8.280 nan 0.000 0.497 15 G N -0.460 108.427 108.800 0.145 0.000 2.479 15 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.220 15 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.220 15 G C 1.228 176.051 174.900 -0.128 0.000 1.115 15 G CA 0.973 46.081 45.100 0.012 0.000 0.757 15 G HN 0.493 nan 8.290 nan 0.000 0.560 16 H N -1.126 117.927 119.070 -0.028 0.000 2.476 16 H HA 0.150 4.706 4.556 -0.000 0.000 0.292 16 H C 2.658 177.957 175.328 -0.048 0.000 1.019 16 H CA 0.667 56.702 56.048 -0.022 0.000 1.330 16 H CB 0.338 30.078 29.762 -0.036 0.000 1.451 16 H HN 0.207 nan 8.280 nan 0.000 0.535 17 V N 1.160 121.056 119.914 -0.031 0.000 2.283 17 V HA -0.253 3.867 4.120 -0.000 0.000 0.243 17 V C 2.326 178.379 176.094 -0.068 0.000 1.039 17 V CA 1.722 63.980 62.300 -0.069 0.000 1.016 17 V CB -0.779 30.837 31.823 -0.345 0.000 0.650 17 V HN 0.313 nan 8.190 nan 0.000 0.449 18 Y N 2.607 122.821 120.300 -0.143 0.000 2.081 18 Y HA -0.177 4.372 4.550 -0.000 0.000 0.280 18 Y C -0.034 175.757 175.900 -0.182 0.000 1.163 18 Y CA 2.164 60.187 58.100 -0.129 0.000 1.135 18 Y CB -1.834 36.581 38.460 -0.075 0.000 0.970 18 Y HN 0.309 nan 8.280 nan 0.000 0.498 19 P HA -0.170 nan 4.420 nan 0.000 0.221 19 P C 1.744 178.469 177.300 -0.958 0.000 1.145 19 P CA 2.266 64.863 63.100 -0.839 0.000 0.795 19 P CB -0.314 31.010 31.700 -0.627 0.000 0.775 20 S N -1.547 113.831 115.700 -0.537 0.000 2.446 20 S HA 0.014 4.483 4.470 -0.000 0.000 0.225 20 S C 1.861 176.354 174.600 -0.177 0.000 1.016 20 S CA 0.345 58.400 58.200 -0.241 0.000 0.943 20 S CB -1.292 61.988 63.200 0.133 0.000 0.786 20 S HN 0.066 nan 8.310 nan 0.000 0.508 21 L N 1.296 122.347 121.223 -0.287 0.000 2.201 21 L HA 0.052 4.391 4.340 -0.000 0.000 0.212 21 L C 2.855 179.605 176.870 -0.200 0.000 1.105 21 L CA 1.089 55.786 54.840 -0.240 0.000 0.775 21 L CB -1.071 40.852 42.059 -0.225 0.000 0.913 21 L HN 0.559 nan 8.230 nan 0.000 0.440 22 G N 0.112 108.774 108.800 -0.230 0.000 2.422 22 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.218 22 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.218 22 G C 1.530 176.412 174.900 -0.030 0.000 1.146 22 G CA 0.477 45.502 45.100 -0.125 0.000 0.769 22 G HN 0.203 nan 8.290 nan 0.000 0.547 23 L N 0.805 122.042 121.223 0.024 0.000 2.056 23 L HA 0.065 4.404 4.340 -0.000 0.000 0.207 23 L C 2.954 179.870 176.870 0.076 0.000 1.078 23 L CA 1.250 56.176 54.840 0.144 0.000 0.749 23 L CB -0.660 41.599 42.059 0.333 0.000 0.901 23 L HN 0.088 nan 8.230 nan 0.000 0.433 24 V N -0.828 119.029 119.914 -0.094 0.000 2.287 24 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 24 V C 2.589 178.620 176.094 -0.105 0.000 1.053 24 V CA 1.958 64.089 62.300 -0.282 0.000 1.027 24 V CB -0.776 30.795 31.823 -0.421 0.000 0.646 24 V HN 0.497 nan 8.190 nan 0.000 0.447 25 S N -0.519 115.131 115.700 -0.084 0.000 2.368 25 S HA -0.235 4.235 4.470 -0.000 0.000 0.225 25 S C 2.032 176.632 174.600 0.000 0.000 1.030 25 S CA 1.702 59.875 58.200 -0.046 0.000 0.999 25 S CB -0.307 62.862 63.200 -0.051 0.000 0.844 25 S HN 0.677 nan 8.310 nan 0.000 0.459 26 E N 1.384 121.599 120.200 0.024 0.000 2.150 26 E HA -0.007 4.343 4.350 -0.000 0.000 0.193 26 E C 1.783 178.437 176.600 0.090 0.000 0.985 26 E CA 0.865 57.296 56.400 0.052 0.000 0.814 26 E CB -0.341 29.397 29.700 0.063 0.000 0.752 26 E HN 0.466 nan 8.360 nan 0.000 0.466 27 L N -0.444 120.854 121.223 0.126 0.000 2.109 27 L HA 0.008 4.348 4.340 -0.000 0.000 0.207 27 L C 2.392 179.368 176.870 0.177 0.000 1.086 27 L CA 0.920 55.889 54.840 0.214 0.000 0.760 27 L CB -0.405 41.814 42.059 0.267 0.000 0.910 27 L HN 0.196 nan 8.230 nan 0.000 0.437 28 A N -0.091 122.785 122.820 0.094 0.000 1.969 28 A HA -0.211 4.108 4.320 -0.000 0.000 0.218 28 A C 2.367 179.960 177.584 0.015 0.000 1.169 28 A CA 1.324 53.393 52.037 0.053 0.000 0.635 28 A CB -0.472 18.538 19.000 0.016 0.000 0.810 28 A HN 0.282 nan 8.150 nan 0.000 0.445 29 R N -0.326 120.182 120.500 0.013 0.000 2.105 29 R HA -0.084 4.256 4.340 -0.000 0.000 0.239 29 R C 1.827 178.113 176.300 -0.022 0.000 1.135 29 R CA 1.570 57.669 56.100 -0.002 0.000 0.967 29 R CB -0.159 30.146 30.300 0.008 0.000 0.861 29 R HN 0.471 nan 8.270 nan 0.000 0.442 30 R N -1.257 119.229 120.500 -0.025 0.000 2.319 30 R HA 0.107 4.447 4.340 -0.000 0.000 0.204 30 R C 0.755 176.890 176.300 -0.275 0.000 0.954 30 R CA 0.558 56.599 56.100 -0.098 0.000 1.066 30 R CB 0.670 30.953 30.300 -0.029 0.000 0.991 30 R HN 0.493 nan 8.270 nan 0.000 0.486 31 G N 0.504 109.187 108.800 -0.194 0.000 2.175 31 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.244 31 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.244 31 G C -0.175 174.599 174.900 -0.210 0.000 0.982 31 G CA -0.392 44.587 45.100 -0.200 0.000 0.641 31 G HN 0.355 nan 8.290 nan 0.000 0.527 32 H N 0.099 119.197 119.070 0.045 0.000 2.511 32 H HA 0.419 4.974 4.556 -0.000 0.000 0.346 32 H C 0.788 176.156 175.328 0.068 0.000 1.128 32 H CA -0.262 55.825 56.048 0.066 0.000 1.342 32 H CB 0.996 30.815 29.762 0.096 0.000 1.470 32 H HN 0.337 nan 8.280 nan 0.000 0.546 33 R N 3.534 124.165 120.500 0.219 0.000 2.242 33 R HA 0.167 4.507 4.340 -0.000 0.000 0.334 33 R C -0.731 175.707 176.300 0.230 0.000 1.071 33 R CA -0.507 55.668 56.100 0.125 0.000 0.922 33 R CB -0.161 30.130 30.300 -0.015 0.000 1.023 33 R HN 0.380 nan 8.270 nan 0.000 0.458 34 I N 4.413 125.095 120.570 0.187 0.000 2.321 34 I HA 0.238 4.408 4.170 -0.000 0.000 0.291 34 I C 0.078 176.330 176.117 0.226 0.000 0.998 34 I CA -0.461 60.983 61.300 0.240 0.000 1.227 34 I CB 1.434 39.515 38.000 0.135 0.000 1.368 34 I HN 0.551 nan 8.210 nan 0.000 0.466 35 T N 6.384 121.135 114.554 0.329 0.000 2.855 35 T HA 0.526 4.875 4.350 -0.000 0.000 0.281 35 T C -0.995 173.918 174.700 0.354 0.000 1.007 35 T CA -0.458 61.827 62.100 0.308 0.000 1.009 35 T CB 1.628 70.715 68.868 0.364 0.000 0.983 35 T HN 0.445 nan 8.240 nan 0.000 0.455 36 Y N 1.691 122.096 120.300 0.174 0.000 2.396 36 Y HA 0.517 5.067 4.550 -0.000 0.000 0.332 36 Y C -1.085 174.921 175.900 0.177 0.000 1.034 36 Y CA -0.978 57.232 58.100 0.183 0.000 1.057 36 Y CB 1.284 39.785 38.460 0.067 0.000 1.220 36 Y HN 0.413 nan 8.280 nan 0.000 0.440 37 V N 5.795 125.863 119.914 0.256 0.000 2.407 37 V HA 0.603 4.723 4.120 -0.000 0.000 0.278 37 V C 0.038 176.401 176.094 0.448 0.000 1.037 37 V CA 0.064 62.538 62.300 0.290 0.000 0.900 37 V CB 1.065 32.962 31.823 0.124 0.000 0.983 37 V HN 0.908 nan 8.190 nan 0.000 0.459 38 T N 2.647 117.522 114.554 0.536 0.000 2.661 38 T HA 0.524 4.874 4.350 -0.000 0.000 0.305 38 T C -0.383 174.506 174.700 0.314 0.000 1.441 38 T CA 0.153 62.576 62.100 0.540 0.000 0.999 38 T CB 1.949 71.088 68.868 0.452 0.000 1.650 38 T HN 0.857 nan 8.240 nan 0.000 0.489 39 T N 0.172 114.807 114.554 0.135 0.000 2.944 39 T HA 0.564 4.914 4.350 -0.000 0.000 0.284 39 T C -2.024 172.692 174.700 0.027 0.000 1.010 39 T CA -1.651 60.409 62.100 -0.067 0.000 1.025 39 T CB 1.032 69.809 68.868 -0.151 0.000 1.079 39 T HN 0.296 nan 8.240 nan 0.000 0.516 40 P HA -0.083 nan 4.420 nan 0.000 0.217 40 P C 1.617 178.872 177.300 -0.075 0.000 1.148 40 P CA 0.315 63.398 63.100 -0.027 0.000 0.828 40 P CB -0.078 31.601 31.700 -0.034 0.000 0.783 41 L N -1.835 119.315 121.223 -0.123 0.000 2.127 41 L HA -0.116 4.224 4.340 -0.000 0.000 0.211 41 L C 1.568 178.078 176.870 -0.600 0.000 1.089 41 L CA 1.992 56.623 54.840 -0.347 0.000 0.757 41 L CB -1.063 40.744 42.059 -0.420 0.000 0.899 41 L HN -0.099 nan 8.230 nan 0.000 0.434 42 F N -1.910 118.012 119.950 -0.047 0.000 2.682 42 F HA 0.392 4.919 4.527 -0.000 0.000 0.308 42 F C 2.057 177.803 175.800 -0.091 0.000 1.093 42 F CA 0.291 58.242 58.000 -0.082 0.000 1.244 42 F CB -0.797 38.157 39.000 -0.076 0.000 1.052 42 F HN 0.033 nan 8.300 nan 0.000 0.573 43 A N 0.482 123.334 122.820 0.053 0.000 1.884 43 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 43 A C 2.117 179.685 177.584 -0.026 0.000 1.197 43 A CA 2.483 54.530 52.037 0.018 0.000 0.637 43 A CB -0.740 18.269 19.000 0.016 0.000 0.827 43 A HN 0.296 nan 8.150 nan 0.000 0.450 44 D N -0.785 119.588 120.400 -0.046 0.000 2.117 44 D HA -0.111 4.528 4.640 -0.000 0.000 0.198 44 D C 1.929 178.191 176.300 -0.062 0.000 0.982 44 D CA 1.612 55.579 54.000 -0.055 0.000 0.828 44 D CB -0.243 40.519 40.800 -0.065 0.000 0.967 44 D HN 0.582 nan 8.370 nan 0.000 0.464 45 E N 0.469 120.635 120.200 -0.058 0.000 2.077 45 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 45 E C 2.276 178.811 176.600 -0.109 0.000 0.989 45 E CA 0.349 56.716 56.400 -0.055 0.000 0.800 45 E CB -0.141 29.562 29.700 0.004 0.000 0.746 45 E HN 0.055 nan 8.360 nan 0.000 0.452 46 V N 1.026 120.846 119.914 -0.156 0.000 2.453 46 V HA -0.216 3.904 4.120 -0.000 0.000 0.247 46 V C 1.981 177.951 176.094 -0.207 0.000 1.048 46 V CA 1.542 63.655 62.300 -0.312 0.000 1.049 46 V CB -0.292 31.233 31.823 -0.497 0.000 0.672 46 V HN 0.206 nan 8.190 nan 0.000 0.457 47 K N 0.334 120.664 120.400 -0.117 0.000 2.026 47 K HA -0.123 4.197 4.320 -0.000 0.000 0.208 47 K C 2.310 178.867 176.600 -0.071 0.000 1.048 47 K CA 1.464 57.708 56.287 -0.073 0.000 0.929 47 K CB -0.448 32.026 32.500 -0.045 0.000 0.713 47 K HN 0.449 nan 8.250 nan 0.000 0.439 48 A N 1.533 124.310 122.820 -0.072 0.000 1.978 48 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 48 A C 2.241 179.783 177.584 -0.070 0.000 1.170 48 A CA 1.902 53.901 52.037 -0.063 0.000 0.636 48 A CB -0.543 18.421 19.000 -0.059 0.000 0.810 48 A HN 0.360 nan 8.150 nan 0.000 0.448 49 A N -2.161 120.599 122.820 -0.099 0.000 2.206 49 A HA 0.396 4.715 4.320 -0.000 0.000 0.211 49 A C 1.761 179.288 177.584 -0.095 0.000 1.158 49 A CA 1.332 53.303 52.037 -0.109 0.000 0.761 49 A CB -0.724 18.177 19.000 -0.166 0.000 0.801 49 A HN 1.871 nan 8.150 nan 0.000 0.473 50 G N -2.827 105.925 108.800 -0.079 0.000 2.168 50 G HA2 0.211 4.171 3.960 -0.000 0.000 0.197 50 G HA3 0.211 4.171 3.960 -0.000 0.000 0.197 50 G C 0.232 175.108 174.900 -0.039 0.000 0.997 50 G CA 0.076 45.145 45.100 -0.051 0.000 0.658 50 G HN 1.486 nan 8.290 nan 0.000 0.513 51 A N -0.004 122.781 122.820 -0.058 0.000 2.306 51 A HA 0.787 5.107 4.320 -0.000 0.000 0.330 51 A C 0.132 177.726 177.584 0.016 0.000 1.146 51 A CA -0.389 51.641 52.037 -0.012 0.000 0.827 51 A CB 0.808 19.794 19.000 -0.023 0.000 1.178 51 A HN 0.346 nan 8.150 nan 0.000 0.490 52 E N 0.336 120.572 120.200 0.060 0.000 2.313 52 E HA 0.409 4.759 4.350 -0.000 0.000 0.276 52 E C -0.997 175.676 176.600 0.121 0.000 1.031 52 E CA -0.372 56.069 56.400 0.069 0.000 0.857 52 E CB 1.556 31.294 29.700 0.064 0.000 1.040 52 E HN 0.334 nan 8.360 nan 0.000 0.408 53 V N 3.616 123.594 119.914 0.106 0.000 2.472 53 V HA 0.196 4.315 4.120 -0.000 0.000 0.290 53 V C -0.251 175.935 176.094 0.153 0.000 1.037 53 V CA -0.673 61.715 62.300 0.146 0.000 0.908 53 V CB 1.806 33.690 31.823 0.102 0.000 0.985 53 V HN 0.391 nan 8.190 nan 0.000 0.454 54 V N 6.590 126.624 119.914 0.200 0.000 2.347 54 V HA 0.402 4.522 4.120 -0.000 0.000 0.280 54 V C 0.020 176.243 176.094 0.216 0.000 1.021 54 V CA -0.487 61.925 62.300 0.186 0.000 0.847 54 V CB 1.487 33.425 31.823 0.192 0.000 0.990 54 V HN 0.607 nan 8.190 nan 0.000 0.444 55 L N 6.169 127.495 121.223 0.172 0.000 2.349 55 L HA 0.461 4.801 4.340 -0.000 0.000 0.275 55 L C -0.335 176.668 176.870 0.222 0.000 1.115 55 L CA -0.278 54.661 54.840 0.165 0.000 0.820 55 L CB 0.626 42.740 42.059 0.091 0.000 1.135 55 L HN 0.777 nan 8.230 nan 0.000 0.445 56 Y N 1.616 121.973 120.300 0.095 0.000 2.562 56 Y HA 0.555 5.105 4.550 -0.000 0.000 0.343 56 Y C -0.723 175.223 175.900 0.077 0.000 1.025 56 Y CA -1.451 56.696 58.100 0.079 0.000 1.082 56 Y CB 1.314 39.819 38.460 0.075 0.000 1.264 56 Y HN 0.373 nan 8.280 nan 0.000 0.478 57 K N 2.547 122.947 120.400 -0.000 0.000 2.240 57 K HA 0.382 4.702 4.320 -0.000 0.000 0.271 57 K C -0.625 175.937 176.600 -0.064 0.000 1.018 57 K CA -0.514 55.710 56.287 -0.105 0.000 0.874 57 K CB 1.222 33.723 32.500 0.003 0.000 1.098 57 K HN 0.833 nan 8.250 nan 0.000 0.458 58 S N 2.900 118.488 115.700 -0.186 0.000 2.565 58 S HA 0.074 4.544 4.470 -0.000 0.000 0.274 58 S C 0.890 175.537 174.600 0.079 0.000 1.309 58 S CA -0.490 57.738 58.200 0.047 0.000 1.043 58 S CB 0.904 64.149 63.200 0.074 0.000 0.939 58 S HN 0.672 nan 8.310 nan 0.000 0.504 59 E N 3.365 123.592 120.200 0.044 0.000 2.338 59 E HA -0.080 4.270 4.350 -0.000 0.000 0.197 59 E C 0.765 177.238 176.600 -0.212 0.000 1.007 59 E CA 0.956 57.267 56.400 -0.149 0.000 0.849 59 E CB -0.152 29.363 29.700 -0.308 0.000 0.774 59 E HN 0.805 nan 8.360 nan 0.000 0.506 60 F N 1.463 121.461 119.950 0.080 0.000 2.811 60 F HA 0.033 4.560 4.527 -0.000 0.000 0.301 60 F C 0.925 176.750 175.800 0.043 0.000 1.151 60 F CA -0.055 57.986 58.000 0.069 0.000 1.412 60 F CB 0.001 39.048 39.000 0.078 0.000 1.113 60 F HN -0.224 nan 8.300 nan 0.000 0.579 74 A N 1.071 123.887 122.820 -0.005 0.000 1.940 74 A HA -0.204 4.115 4.320 -0.000 0.000 0.219 74 A C 1.900 179.464 177.584 -0.035 0.000 1.176 74 A CA 2.064 54.097 52.037 -0.006 0.000 0.631 74 A CB -0.583 18.418 19.000 0.002 0.000 0.814 74 A HN 0.592 nan 8.150 nan 0.000 0.446 75 E N -1.416 118.742 120.200 -0.070 0.000 2.158 75 E HA -0.079 4.271 4.350 -0.000 0.000 0.191 75 E C 1.723 178.173 176.600 -0.249 0.000 0.982 75 E CA 1.290 57.572 56.400 -0.196 0.000 0.823 75 E CB -0.758 28.822 29.700 -0.200 0.000 0.766 75 E HN 0.378 nan 8.360 nan 0.000 0.468 76 T N 1.128 115.652 114.554 -0.051 0.000 2.788 76 T HA -0.128 4.222 4.350 -0.000 0.000 0.268 76 T C 1.794 176.531 174.700 0.062 0.000 1.044 76 T CA 1.316 63.455 62.100 0.064 0.000 1.139 76 T CB -0.125 68.779 68.868 0.059 0.000 0.867 76 T HN 0.133 nan 8.240 nan 0.000 0.454 77 Q N 0.869 120.683 119.800 0.023 0.000 2.124 77 Q HA 0.064 4.403 4.340 -0.000 0.000 0.202 77 Q C 2.489 178.519 176.000 0.051 0.000 0.977 77 Q CA 0.982 56.806 55.803 0.035 0.000 0.850 77 Q CB -0.648 28.104 28.738 0.023 0.000 0.901 77 Q HN 0.511 nan 8.270 nan 0.000 0.429 78 L N -0.138 121.091 121.223 0.011 0.000 2.056 78 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 78 L C 2.418 179.361 176.870 0.121 0.000 1.078 78 L CA 1.121 55.994 54.840 0.055 0.000 0.749 78 L CB -0.888 41.163 42.059 -0.013 0.000 0.901 78 L HN 0.264 nan 8.230 nan 0.000 0.433 79 H N 0.384 119.509 119.070 0.091 0.000 2.321 79 H HA -0.107 4.449 4.556 -0.000 0.000 0.300 79 H C 2.424 177.854 175.328 0.170 0.000 1.087 79 H CA 1.382 57.486 56.048 0.093 0.000 1.319 79 H CB -0.269 29.490 29.762 -0.004 0.000 1.379 79 H HN 0.277 nan 8.280 nan 0.000 0.501 80 L N -0.431 120.932 121.223 0.233 0.000 2.044 80 L HA -0.111 4.228 4.340 -0.000 0.000 0.205 80 L C 2.712 179.657 176.870 0.124 0.000 1.075 80 L CA 0.629 55.562 54.840 0.154 0.000 0.747 80 L CB -0.395 41.719 42.059 0.091 0.000 0.903 80 L HN 0.080 nan 8.230 nan 0.000 0.435 81 V N -0.715 119.260 119.914 0.101 0.000 2.392 81 V HA -0.354 3.766 4.120 -0.000 0.000 0.249 81 V C 2.305 178.457 176.094 0.097 0.000 1.059 81 V CA 1.863 64.175 62.300 0.020 0.000 1.051 81 V CB -0.378 31.393 31.823 -0.087 0.000 0.658 81 V HN 0.516 nan 8.190 nan 0.000 0.455 82 Y N 0.280 120.661 120.300 0.135 0.000 2.128 82 Y HA -0.215 4.335 4.550 -0.000 0.000 0.284 82 Y C 2.242 178.196 175.900 0.091 0.000 1.154 82 Y CA 2.464 60.671 58.100 0.179 0.000 1.149 82 Y CB -0.417 38.104 38.460 0.102 0.000 0.976 82 Y HN 0.142 nan 8.280 nan 0.000 0.505 83 V N 1.160 121.137 119.914 0.104 0.000 2.261 83 V HA -0.315 3.804 4.120 -0.000 0.000 0.246 83 V C 2.444 178.487 176.094 -0.086 0.000 1.047 83 V CA 2.334 64.615 62.300 -0.032 0.000 1.015 83 V CB -0.708 31.162 31.823 0.078 0.000 0.642 83 V HN 0.351 nan 8.190 nan 0.000 0.446 84 R N -0.165 120.319 120.500 -0.027 0.000 2.117 84 R HA -0.254 4.086 4.340 -0.000 0.000 0.243 84 R C 2.326 178.607 176.300 -0.032 0.000 1.143 84 R CA 1.865 57.944 56.100 -0.035 0.000 0.968 84 R CB -0.316 29.967 30.300 -0.028 0.000 0.863 84 R HN 0.554 nan 8.270 nan 0.000 0.444 85 E N 0.874 121.069 120.200 -0.007 0.000 2.072 85 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 85 E C 1.590 178.169 176.600 -0.036 0.000 0.985 85 E CA 1.277 57.726 56.400 0.081 0.000 0.801 85 E CB -0.102 29.792 29.700 0.322 0.000 0.750 85 E HN 0.276 nan 8.360 nan 0.000 0.452 86 N N -0.303 118.307 118.700 -0.150 0.000 2.069 86 N HA -0.163 4.577 4.740 -0.000 0.000 0.191 86 N C 1.862 177.236 175.510 -0.227 0.000 1.031 86 N CA 1.786 54.680 53.050 -0.259 0.000 0.852 86 N CB -0.061 38.173 38.487 -0.421 0.000 1.018 86 N HN 0.085 nan 8.380 nan 0.000 0.423 87 V N 1.950 121.762 119.914 -0.169 0.000 2.287 87 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 87 V C 2.565 178.608 176.094 -0.084 0.000 1.053 87 V CA 1.930 64.157 62.300 -0.121 0.000 1.027 87 V CB -1.009 30.769 31.823 -0.075 0.000 0.646 87 V HN 0.301 nan 8.190 nan 0.000 0.447 88 A N -0.012 122.781 122.820 -0.044 0.000 1.892 88 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 88 A C 2.190 179.746 177.584 -0.048 0.000 1.188 88 A CA 2.325 54.382 52.037 0.033 0.000 0.631 88 A CB -0.597 18.511 19.000 0.181 0.000 0.822 88 A HN 0.521 nan 8.150 nan 0.000 0.447 89 I N -1.056 119.343 120.570 -0.285 0.000 2.286 89 I HA -0.184 3.986 4.170 -0.000 0.000 0.245 89 I C 2.368 178.363 176.117 -0.203 0.000 1.104 89 I CA 0.991 62.030 61.300 -0.436 0.000 1.397 89 I CB -0.263 37.382 38.000 -0.593 0.000 1.072 89 I HN 0.408 nan 8.210 nan 0.000 0.417 90 L N 0.891 121.994 121.223 -0.201 0.000 1.990 90 L HA -0.238 4.102 4.340 -0.000 0.000 0.213 90 L C 2.583 179.389 176.870 -0.107 0.000 1.072 90 L CA 1.964 56.689 54.840 -0.191 0.000 0.755 90 L CB -0.605 41.309 42.059 -0.242 0.000 0.889 90 L HN 0.122 nan 8.230 nan 0.000 0.432 91 R N -0.154 120.312 120.500 -0.056 0.000 2.115 91 R HA 0.067 4.407 4.340 -0.000 0.000 0.226 91 R C 2.224 178.548 176.300 0.040 0.000 1.100 91 R CA 1.160 57.259 56.100 -0.001 0.000 0.980 91 R CB -1.317 28.989 30.300 0.011 0.000 0.875 91 R HN 0.550 nan 8.270 nan 0.000 0.445 92 A N 1.579 124.431 122.820 0.053 0.000 1.883 92 A HA -0.126 4.193 4.320 -0.000 0.000 0.217 92 A C 2.416 180.074 177.584 0.122 0.000 1.186 92 A CA 2.102 54.203 52.037 0.107 0.000 0.624 92 A CB -0.664 18.434 19.000 0.164 0.000 0.822 92 A HN 0.337 nan 8.150 nan 0.000 0.444 93 A N -0.486 122.400 122.820 0.109 0.000 1.898 93 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 93 A C 1.925 179.693 177.584 0.306 0.000 1.181 93 A CA 1.662 53.822 52.037 0.205 0.000 0.620 93 A CB -0.546 18.571 19.000 0.195 0.000 0.819 93 A HN 0.633 nan 8.150 nan 0.000 0.442 94 E N -0.127 120.170 120.200 0.161 0.000 2.017 94 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 94 E C 2.046 178.772 176.600 0.209 0.000 0.997 94 E CA 1.472 57.977 56.400 0.175 0.000 0.804 94 E CB -0.239 29.456 29.700 -0.009 0.000 0.757 94 E HN 0.703 nan 8.360 nan 0.000 0.448 95 E N 0.453 120.733 120.200 0.134 0.000 2.097 95 E HA -0.253 4.097 4.350 -0.000 0.000 0.196 95 E C 2.084 178.765 176.600 0.134 0.000 1.000 95 E CA 1.079 57.549 56.400 0.116 0.000 0.804 95 E CB -0.177 29.575 29.700 0.087 0.000 0.740 95 E HN 0.253 nan 8.360 nan 0.000 0.454 96 A N 1.026 123.938 122.820 0.153 0.000 1.873 96 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 96 A C 2.112 179.786 177.584 0.149 0.000 1.186 96 A CA 0.959 53.082 52.037 0.143 0.000 0.616 96 A CB -0.225 18.864 19.000 0.148 0.000 0.823 96 A HN 0.100 nan 8.150 nan 0.000 0.442 97 L N -1.484 119.860 121.223 0.202 0.000 2.209 97 L HA 0.120 4.459 4.340 -0.000 0.000 0.207 97 L C 2.138 179.102 176.870 0.156 0.000 1.094 97 L CA 1.461 56.382 54.840 0.136 0.000 0.790 97 L CB -2.199 39.855 42.059 -0.009 0.000 0.932 97 L HN 0.602 nan 8.230 nan 0.000 0.447 98 G N 1.191 110.154 108.800 0.271 0.000 2.690 98 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.334 98 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.334 98 G C 0.555 175.591 174.900 0.225 0.000 1.250 98 G CA 0.839 46.073 45.100 0.223 0.000 0.994 98 G HN 0.344 nan 8.290 nan 0.000 0.549 99 D N 2.331 122.807 120.400 0.127 0.000 2.319 99 D HA 0.181 4.821 4.640 -0.000 0.000 0.230 99 D C 0.549 176.875 176.300 0.042 0.000 1.094 99 D CA 0.206 54.264 54.000 0.098 0.000 0.856 99 D CB -0.149 40.693 40.800 0.069 0.000 0.915 99 D HN 0.369 nan 8.370 nan 0.000 0.517 100 N N 2.005 120.705 118.700 -0.000 0.000 2.841 100 N HA 0.154 4.893 4.740 -0.000 0.000 0.257 100 N C -2.684 172.668 175.510 -0.264 0.000 1.396 100 N CA -0.992 52.014 53.050 -0.073 0.000 0.823 100 N CB 1.953 40.428 38.487 -0.020 0.000 1.162 100 N HN 0.026 nan 8.380 nan 0.000 0.503 101 P HA 0.116 nan 4.420 nan 0.000 0.267 101 P C -2.341 174.546 177.300 -0.687 0.000 1.200 101 P CA -0.528 61.936 63.100 -1.060 0.000 0.772 101 P CB 0.172 31.383 31.700 -0.816 0.000 0.855 102 P HA 0.130 nan 4.420 nan 0.000 0.279 102 P C 0.185 177.268 177.300 -0.361 0.000 1.282 102 P CA -0.097 62.584 63.100 -0.698 0.000 0.788 102 P CB 0.919 32.084 31.700 -0.891 0.000 1.139 103 D N -1.052 119.212 120.400 -0.226 0.000 2.234 103 D HA 0.065 4.705 4.640 -0.000 0.000 0.205 103 D C 0.426 176.660 176.300 -0.110 0.000 0.962 103 D CA 1.231 55.156 54.000 -0.124 0.000 0.855 103 D CB 0.111 40.868 40.800 -0.072 0.000 0.951 103 D HN 0.102 nan 8.370 nan 0.000 0.500 104 L N 0.254 121.401 121.223 -0.127 0.000 2.482 104 L HA 0.314 4.654 4.340 -0.000 0.000 0.263 104 L C -1.531 175.293 176.870 -0.077 0.000 0.957 104 L CA -0.786 54.007 54.840 -0.078 0.000 0.836 104 L CB 2.482 44.495 42.059 -0.077 0.000 1.324 104 L HN -0.361 nan 8.230 nan 0.000 0.406 105 V N 4.998 124.908 119.914 -0.007 0.000 2.370 105 V HA 0.633 4.753 4.120 -0.000 0.000 0.283 105 V C -0.536 175.531 176.094 -0.045 0.000 1.023 105 V CA -0.615 61.695 62.300 0.017 0.000 0.857 105 V CB 1.660 33.566 31.823 0.138 0.000 0.985 105 V HN 0.515 nan 8.190 nan 0.000 0.443 106 V N 6.431 126.201 119.914 -0.240 0.000 2.487 106 V HA 0.589 4.709 4.120 -0.000 0.000 0.298 106 V C -0.877 175.030 176.094 -0.311 0.000 1.028 106 V CA -0.706 61.327 62.300 -0.445 0.000 0.860 106 V CB 1.457 32.682 31.823 -0.997 0.000 0.991 106 V HN 0.878 nan 8.190 nan 0.000 0.427 107 Y N 0.942 121.113 120.300 -0.215 0.000 2.492 107 Y HA 0.786 5.336 4.550 -0.000 0.000 0.346 107 Y C -0.628 175.272 175.900 0.000 0.000 0.997 107 Y CA -1.612 56.426 58.100 -0.102 0.000 1.025 107 Y CB 1.294 39.719 38.460 -0.059 0.000 1.263 107 Y HN 0.632 nan 8.280 nan 0.000 0.454 108 D N 1.285 121.806 120.400 0.200 0.000 2.344 108 D HA 0.199 4.839 4.640 -0.000 0.000 0.244 108 D C 0.810 177.368 176.300 0.430 0.000 1.134 108 D CA -0.252 53.903 54.000 0.257 0.000 0.930 108 D CB 1.709 42.695 40.800 0.311 0.000 1.175 108 D HN 0.479 nan 8.370 nan 0.000 0.437 109 V N 2.864 123.019 119.914 0.403 0.000 2.332 109 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 109 V C 1.967 178.430 176.094 0.616 0.000 1.055 109 V CA 1.794 64.375 62.300 0.469 0.000 1.038 109 V CB -0.914 31.142 31.823 0.389 0.000 0.651 109 V HN 0.657 nan 8.190 nan 0.000 0.450 110 F N 2.888 123.124 119.950 0.476 0.000 2.046 110 F HA -0.096 4.431 4.527 -0.000 0.000 0.297 110 F C -0.636 175.345 175.800 0.302 0.000 1.123 110 F CA 1.627 59.912 58.000 0.476 0.000 1.199 110 F CB -0.806 38.347 39.000 0.254 0.000 0.972 110 F HN 0.233 nan 8.300 nan 0.000 0.474 111 P HA 0.005 nan 4.420 nan 0.000 0.235 111 P C 0.532 177.832 177.300 0.001 0.000 1.725 111 P CA 0.140 63.333 63.100 0.156 0.000 0.894 111 P CB -1.536 30.203 31.700 0.065 0.000 1.704 112 F N -1.664 118.246 119.950 -0.067 0.000 2.365 112 F HA -0.047 4.480 4.527 -0.000 0.000 0.300 112 F C 1.742 177.238 175.800 -0.506 0.000 1.090 112 F CA 0.452 58.242 58.000 -0.351 0.000 1.408 112 F CB -1.121 37.816 39.000 -0.106 0.000 1.060 112 F HN -0.190 nan 8.300 nan 0.000 0.534 113 I N 1.302 121.170 120.570 -1.170 0.000 2.163 113 I HA -0.202 3.968 4.170 -0.000 0.000 0.240 113 I C 2.979 178.726 176.117 -0.618 0.000 1.081 113 I CA 1.189 61.910 61.300 -0.966 0.000 1.353 113 I CB -0.902 36.556 38.000 -0.902 0.000 1.054 113 I HN 0.292 nan 8.210 nan 0.000 0.407 114 A N 1.026 123.535 122.820 -0.518 0.000 1.873 114 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 114 A C 2.431 179.762 177.584 -0.421 0.000 1.193 114 A CA 2.318 54.104 52.037 -0.418 0.000 0.629 114 A CB -1.681 17.131 19.000 -0.313 0.000 0.826 114 A HN 0.480 nan 8.150 nan 0.000 0.447 115 G N -0.676 107.844 108.800 -0.468 0.000 2.459 115 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 115 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 115 G C 1.740 176.330 174.900 -0.515 0.000 1.183 115 G CA 1.005 45.801 45.100 -0.507 0.000 0.776 115 G HN 0.606 nan 8.290 nan 0.000 0.552 116 R N -0.264 119.838 120.500 -0.664 0.000 2.148 116 R HA 0.203 4.542 4.340 -0.000 0.000 0.223 116 R C 2.545 178.695 176.300 -0.250 0.000 1.088 116 R CA 0.393 56.275 56.100 -0.364 0.000 0.985 116 R CB -0.304 29.816 30.300 -0.300 0.000 0.880 116 R HN 0.329 nan 8.270 nan 0.000 0.451 117 L N 0.475 121.470 121.223 -0.381 0.000 2.131 117 L HA -0.080 4.260 4.340 -0.000 0.000 0.206 117 L C 2.262 178.806 176.870 -0.542 0.000 1.087 117 L CA 0.784 55.303 54.840 -0.535 0.000 0.767 117 L CB -0.285 41.242 42.059 -0.887 0.000 0.917 117 L HN 0.171 nan 8.230 nan 0.000 0.441 118 L N -0.154 120.780 121.223 -0.482 0.000 2.012 118 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 118 L C 2.853 179.581 176.870 -0.237 0.000 1.073 118 L CA 1.460 55.992 54.840 -0.513 0.000 0.748 118 L CB -0.713 41.164 42.059 -0.305 0.000 0.891 118 L HN 0.255 nan 8.230 nan 0.000 0.431 119 A N -0.324 122.457 122.820 -0.065 0.000 1.930 119 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 119 A C 2.499 180.103 177.584 0.033 0.000 1.175 119 A CA 1.508 53.584 52.037 0.065 0.000 0.627 119 A CB -0.591 18.446 19.000 0.062 0.000 0.815 119 A HN 0.408 nan 8.150 nan 0.000 0.443 120 A N -0.204 122.592 122.820 -0.040 0.000 1.898 120 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 120 A C 2.179 179.764 177.584 0.002 0.000 1.181 120 A CA 1.981 54.014 52.037 -0.008 0.000 0.620 120 A CB -0.375 18.616 19.000 -0.015 0.000 0.819 120 A HN 0.423 nan 8.150 nan 0.000 0.442 121 R N -1.400 119.056 120.500 -0.073 0.000 2.115 121 R HA -0.074 4.266 4.340 -0.000 0.000 0.226 121 R C 1.306 177.558 176.300 -0.080 0.000 1.100 121 R CA 1.253 57.298 56.100 -0.092 0.000 0.980 121 R CB -0.383 29.811 30.300 -0.175 0.000 0.875 121 R HN 0.680 nan 8.270 nan 0.000 0.445 122 W N 0.750 122.063 121.300 0.023 0.000 3.211 122 W HA 0.287 4.946 4.660 -0.000 0.000 0.292 122 W C -0.058 176.460 176.519 -0.001 0.000 1.268 122 W CA 0.040 57.388 57.345 0.005 0.000 1.702 122 W CB -0.320 29.133 29.460 -0.013 0.000 1.092 122 W HN 0.189 nan 8.180 nan 0.000 0.643 123 D N 1.127 121.639 120.400 0.187 0.000 2.697 123 D HA -0.193 4.446 4.640 -0.000 0.000 0.238 123 D C -0.209 176.151 176.300 0.100 0.000 1.152 123 D CA 0.788 54.855 54.000 0.112 0.000 0.666 123 D CB -0.443 40.407 40.800 0.084 0.000 1.037 123 D HN -0.065 nan 8.370 nan 0.000 0.423 124 R N 0.699 121.269 120.500 0.117 0.000 2.807 124 R HA 0.608 4.948 4.340 -0.000 0.000 0.276 124 R C -2.161 174.172 176.300 0.055 0.000 0.979 124 R CA -1.496 54.648 56.100 0.074 0.000 0.928 124 R CB 1.476 31.834 30.300 0.097 0.000 1.191 124 R HN 0.128 nan 8.270 nan 0.000 0.471 125 P HA 0.405 nan 4.420 nan 0.000 0.276 125 P C -1.183 176.184 177.300 0.112 0.000 1.252 125 P CA -0.439 62.675 63.100 0.025 0.000 0.802 125 P CB 1.121 32.731 31.700 -0.149 0.000 1.035 126 A N 0.818 123.768 122.820 0.217 0.000 2.469 126 A HA 0.684 5.004 4.320 -0.000 0.000 0.299 126 A C -1.100 176.587 177.584 0.172 0.000 1.098 126 A CA -0.659 51.510 52.037 0.220 0.000 0.737 126 A CB 1.505 20.686 19.000 0.303 0.000 1.312 126 A HN 0.293 nan 8.150 nan 0.000 0.414 127 V N 1.072 120.950 119.914 -0.059 0.000 2.656 127 V HA 0.594 4.714 4.120 -0.000 0.000 0.307 127 V C 0.060 175.741 176.094 -0.688 0.000 1.051 127 V CA -0.708 61.386 62.300 -0.345 0.000 0.893 127 V CB 1.768 33.394 31.823 -0.328 0.000 0.999 127 V HN 0.972 nan 8.190 nan 0.000 0.426 128 R N 4.042 124.071 120.500 -0.786 0.000 2.346 128 R HA 0.733 5.073 4.340 -0.000 0.000 0.311 128 R C -1.553 174.430 176.300 -0.528 0.000 0.983 128 R CA -0.559 54.918 56.100 -1.038 0.000 0.880 128 R CB 1.020 30.919 30.300 -0.669 0.000 1.100 128 R HN 0.718 nan 8.270 nan 0.000 0.453 129 L N 2.783 123.793 121.223 -0.355 0.000 2.325 129 L HA 0.517 4.857 4.340 -0.000 0.000 0.278 129 L C -0.095 176.823 176.870 0.080 0.000 1.023 129 L CA -0.795 54.009 54.840 -0.060 0.000 0.811 129 L CB 2.109 44.280 42.059 0.188 0.000 1.249 129 L HN 0.657 nan 8.230 nan 0.000 0.431 130 T N 0.759 115.389 114.554 0.128 0.000 2.991 130 T HA 0.438 4.787 4.350 -0.000 0.000 0.303 130 T C 0.567 175.451 174.700 0.307 0.000 1.015 130 T CA -0.259 61.947 62.100 0.177 0.000 1.007 130 T CB 1.490 70.413 68.868 0.092 0.000 1.034 130 T HN 0.764 nan 8.240 nan 0.000 0.446 131 G N 2.365 111.312 108.800 0.244 0.000 3.141 131 G HA2 0.498 4.458 3.960 -0.000 0.000 0.218 131 G HA3 0.498 4.458 3.960 -0.000 0.000 0.218 131 G C 0.618 175.554 174.900 0.060 0.000 1.170 131 G CA 0.182 45.393 45.100 0.184 0.000 0.769 131 G HN 0.922 nan 8.290 nan 0.000 0.546 132 G N -0.549 108.263 108.800 0.021 0.000 3.108 132 G HA2 0.528 4.488 3.960 -0.000 0.000 0.268 132 G HA3 0.528 4.488 3.960 -0.000 0.000 0.268 132 G C -0.872 174.020 174.900 -0.015 0.000 1.361 132 G CA -1.077 43.944 45.100 -0.131 0.000 1.047 132 G HN -0.059 nan 8.290 nan 0.000 0.540 133 F N 1.073 121.045 119.950 0.038 0.000 2.563 133 F HA 0.467 4.993 4.527 -0.000 0.000 0.363 133 F C 1.280 177.098 175.800 0.030 0.000 1.123 133 F CA -0.657 57.374 58.000 0.051 0.000 1.307 133 F CB 0.299 39.378 39.000 0.132 0.000 1.115 133 F HN 0.472 nan 8.300 nan 0.000 0.592 134 A N 2.096 125.024 122.820 0.179 0.000 2.425 134 A HA 0.655 4.974 4.320 -0.000 0.000 0.242 134 A C -0.136 177.625 177.584 0.294 0.000 1.077 134 A CA 0.064 52.151 52.037 0.084 0.000 0.781 134 A CB -0.063 18.722 19.000 -0.358 0.000 1.020 134 A HN 1.009 nan 8.150 nan 0.000 0.494 135 A N 2.042 125.142 122.820 0.467 0.000 2.371 135 A HA 0.725 5.044 4.320 -0.000 0.000 0.311 135 A C -0.255 177.629 177.584 0.501 0.000 1.068 135 A CA -0.527 51.786 52.037 0.460 0.000 0.744 135 A CB 0.895 20.045 19.000 0.249 0.000 1.239 135 A HN 1.222 nan 8.150 nan 0.000 0.435 136 N N 0.683 119.530 118.700 0.244 0.000 3.479 136 N HA 0.280 5.020 4.740 -0.000 0.000 0.336 136 N C -0.031 175.479 175.510 -0.001 0.000 1.623 136 N CA -0.477 52.606 53.050 0.056 0.000 0.759 136 N CB -0.094 38.179 38.487 -0.356 0.000 2.016 136 N HN 0.305 nan 8.380 nan 0.000 0.637 137 E N -1.170 119.001 120.200 -0.049 0.000 2.409 137 E HA -0.035 4.315 4.350 -0.000 0.000 0.198 137 E C 0.451 176.857 176.600 -0.324 0.000 1.024 137 E CA 1.250 57.557 56.400 -0.156 0.000 0.861 137 E CB -0.407 29.174 29.700 -0.199 0.000 0.788 137 E HN 0.570 nan 8.360 nan 0.000 0.521 138 H N -2.013 116.919 119.070 -0.230 0.000 2.582 138 H HA 0.240 4.796 4.556 -0.000 0.000 0.269 138 H C -0.599 174.509 175.328 -0.366 0.000 0.962 138 H CA 0.397 56.267 56.048 -0.297 0.000 1.230 138 H CB 0.447 30.019 29.762 -0.317 0.000 1.445 138 H HN 0.111 nan 8.280 nan 0.000 0.528 139 Y N 0.015 120.188 120.300 -0.211 0.000 2.480 139 Y HA 0.474 5.024 4.550 -0.000 0.000 0.329 139 Y C -1.472 174.442 175.900 0.023 0.000 1.127 139 Y CA -1.120 56.878 58.100 -0.170 0.000 1.037 139 Y CB 1.922 40.335 38.460 -0.079 0.000 1.320 139 Y HN -0.128 nan 8.280 nan 0.000 0.446 140 S N 6.773 122.002 115.700 -0.785 0.000 2.720 140 S HA 0.258 4.728 4.470 -0.000 0.000 0.278 140 S C -0.132 173.980 174.600 -0.814 0.000 1.172 140 S CA -0.676 57.192 58.200 -0.553 0.000 1.019 140 S CB 1.039 64.139 63.200 -0.167 0.000 1.049 140 S HN 0.899 nan 8.310 nan 0.000 0.483 141 L N 5.680 126.463 121.223 -0.732 0.000 2.042 141 L HA 0.117 4.457 4.340 -0.000 0.000 0.210 141 L C 1.444 178.042 176.870 -0.453 0.000 1.076 141 L CA 2.212 56.784 54.840 -0.446 0.000 0.749 141 L CB -0.946 41.011 42.059 -0.169 0.000 0.893 141 L HN 0.771 nan 8.230 nan 0.000 0.432 142 F N 0.378 120.044 119.950 -0.473 0.000 2.095 142 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 142 F C 2.424 177.516 175.800 -1.180 0.000 1.104 142 F CA 1.591 59.024 58.000 -0.945 0.000 1.232 142 F CB -0.885 37.514 39.000 -1.003 0.000 0.987 142 F HN 0.100 nan 8.300 nan 0.000 0.475 143 K N -0.145 120.000 120.400 -0.425 0.000 2.063 143 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 143 K C 1.966 178.506 176.600 -0.100 0.000 1.048 143 K CA 1.482 57.707 56.287 -0.104 0.000 0.928 143 K CB -0.253 32.254 32.500 0.011 0.000 0.713 143 K HN 0.149 nan 8.250 nan 0.000 0.442 144 E N 1.096 121.181 120.200 -0.191 0.000 2.077 144 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 144 E C 2.153 178.715 176.600 -0.063 0.000 0.989 144 E CA 0.981 57.322 56.400 -0.100 0.000 0.800 144 E CB -0.291 29.354 29.700 -0.091 0.000 0.746 144 E HN 0.300 nan 8.360 nan 0.000 0.452 145 L N -0.475 120.658 121.223 -0.151 0.000 2.017 145 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 145 L C 2.602 179.482 176.870 0.016 0.000 1.073 145 L CA 1.133 55.912 54.840 -0.103 0.000 0.745 145 L CB -0.513 41.445 42.059 -0.168 0.000 0.894 145 L HN 0.203 nan 8.230 nan 0.000 0.432 146 W N 0.597 121.918 121.300 0.034 0.000 2.338 146 W HA -0.184 4.476 4.660 -0.000 0.000 0.304 146 W C 2.600 179.122 176.519 0.006 0.000 1.212 146 W CA 0.935 58.282 57.345 0.004 0.000 1.264 146 W CB -0.884 28.549 29.460 -0.045 0.000 1.142 146 W HN 0.191 nan 8.180 nan 0.000 0.512 147 K N 0.732 121.259 120.400 0.212 0.000 2.002 147 K HA -0.188 4.132 4.320 -0.000 0.000 0.209 147 K C 2.367 179.022 176.600 0.093 0.000 1.048 147 K CA 2.397 58.759 56.287 0.126 0.000 0.930 147 K CB -0.354 32.196 32.500 0.082 0.000 0.714 147 K HN 0.070 nan 8.250 nan 0.000 0.438 148 S N 0.109 115.856 115.700 0.078 0.000 2.423 148 S HA -0.110 4.360 4.470 -0.000 0.000 0.231 148 S C 1.135 175.776 174.600 0.068 0.000 1.014 148 S CA 1.364 59.602 58.200 0.062 0.000 0.965 148 S CB -0.429 62.801 63.200 0.051 0.000 0.785 148 S HN 0.372 nan 8.310 nan 0.000 0.495 149 N N 1.108 119.864 118.700 0.093 0.000 2.383 149 N HA 0.337 5.077 4.740 -0.000 0.000 0.192 149 N C 0.918 176.477 175.510 0.082 0.000 1.141 149 N CA 0.225 53.329 53.050 0.090 0.000 0.851 149 N CB 0.081 38.635 38.487 0.111 0.000 0.976 149 N HN 0.578 nan 8.380 nan 0.000 0.465 150 G N 1.008 109.857 108.800 0.081 0.000 2.258 150 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.274 150 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.274 150 G C -0.157 174.777 174.900 0.056 0.000 1.021 150 G CA 0.222 45.358 45.100 0.061 0.000 0.798 150 G HN 0.397 nan 8.290 nan 0.000 0.507 151 Q N -0.561 119.291 119.800 0.087 0.000 2.235 151 Q HA 0.483 4.823 4.340 -0.000 0.000 0.250 151 Q C 0.831 176.824 176.000 -0.011 0.000 0.909 151 Q CA -0.681 55.148 55.803 0.043 0.000 0.910 151 Q CB 1.078 29.864 28.738 0.081 0.000 1.223 151 Q HN 0.469 nan 8.270 nan 0.000 0.432 152 R N 1.094 121.544 120.500 -0.084 0.000 2.594 152 R HA 0.053 4.392 4.340 -0.000 0.000 0.272 152 R C 0.276 176.346 176.300 -0.383 0.000 1.074 152 R CA -0.465 55.545 56.100 -0.149 0.000 1.105 152 R CB 0.330 30.548 30.300 -0.137 0.000 1.008 152 R HN 0.530 nan 8.270 nan 0.000 0.472 153 H N 4.627 123.395 119.070 -0.504 0.000 3.064 153 H HA -0.033 4.523 4.556 -0.000 0.000 0.329 153 H C -1.474 173.261 175.328 -0.988 0.000 1.020 153 H CA -1.190 54.306 56.048 -0.920 0.000 1.402 153 H CB 1.100 30.537 29.762 -0.542 0.000 1.379 153 H HN 0.423 nan 8.280 nan 0.000 0.594 154 P HA -0.158 nan 4.420 nan 0.000 0.218 154 P C 1.074 178.028 177.300 -0.577 0.000 1.148 154 P CA 1.838 64.218 63.100 -1.200 0.000 0.822 154 P CB -0.046 30.678 31.700 -1.627 0.000 0.784 155 A N 0.225 122.834 122.820 -0.352 0.000 2.019 155 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 155 A C 1.716 179.251 177.584 -0.081 0.000 1.164 155 A CA 1.609 53.595 52.037 -0.086 0.000 0.644 155 A CB -1.056 17.897 19.000 -0.078 0.000 0.805 155 A HN 0.086 nan 8.150 nan 0.000 0.449 156 D N -0.405 119.877 120.400 -0.196 0.000 2.319 156 D HA 0.174 4.814 4.640 -0.000 0.000 0.230 156 D C -0.363 175.829 176.300 -0.180 0.000 1.094 156 D CA 0.318 54.197 54.000 -0.202 0.000 0.856 156 D CB 0.344 41.035 40.800 -0.182 0.000 0.915 156 D HN 0.139 nan 8.370 nan 0.000 0.517 157 V N 1.562 121.379 119.914 -0.162 0.000 2.347 157 V HA 0.046 4.165 4.120 -0.000 0.000 0.280 157 V C 1.363 177.434 176.094 -0.039 0.000 1.021 157 V CA -0.549 61.684 62.300 -0.111 0.000 0.847 157 V CB 2.031 33.777 31.823 -0.129 0.000 0.990 157 V HN -0.162 nan 8.190 nan 0.000 0.444 158 E N 5.659 125.838 120.200 -0.035 0.000 2.049 158 E HA -0.231 4.119 4.350 -0.000 0.000 0.198 158 E C 2.078 178.710 176.600 0.054 0.000 1.007 158 E CA 2.346 58.748 56.400 0.004 0.000 0.809 158 E CB -0.183 29.506 29.700 -0.018 0.000 0.749 158 E HN 0.787 nan 8.360 nan 0.000 0.450 159 A N -0.010 122.828 122.820 0.030 0.000 1.940 159 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 159 A C 2.546 180.155 177.584 0.042 0.000 1.176 159 A CA 1.902 53.959 52.037 0.034 0.000 0.631 159 A CB -0.649 18.369 19.000 0.029 0.000 0.814 159 A HN 0.211 nan 8.150 nan 0.000 0.446 160 V N -1.030 118.908 119.914 0.039 0.000 2.346 160 V HA -0.202 3.918 4.120 -0.000 0.000 0.244 160 V C 2.400 178.527 176.094 0.055 0.000 1.037 160 V CA 2.206 64.528 62.300 0.037 0.000 1.029 160 V CB -1.087 30.710 31.823 -0.043 0.000 0.663 160 V HN 0.818 nan 8.190 nan 0.000 0.454 161 H N 1.488 120.536 119.070 -0.036 0.000 2.352 161 H HA -0.178 4.378 4.556 -0.000 0.000 0.299 161 H C 2.484 177.804 175.328 -0.013 0.000 1.097 161 H CA 2.099 58.133 56.048 -0.024 0.000 1.311 161 H CB -0.100 29.634 29.762 -0.046 0.000 1.377 161 H HN 0.537 nan 8.280 nan 0.000 0.504 162 S N 0.082 115.818 115.700 0.060 0.000 2.353 162 S HA -0.216 4.253 4.470 -0.000 0.000 0.222 162 S C 2.443 177.013 174.600 -0.049 0.000 1.035 162 S CA 2.061 60.263 58.200 0.003 0.000 1.025 162 S CB -1.340 61.879 63.200 0.032 0.000 0.902 162 S HN 0.457 nan 8.310 nan 0.000 0.440 163 V N 0.881 120.780 119.914 -0.025 0.000 2.407 163 V HA -0.046 4.073 4.120 -0.000 0.000 0.248 163 V C 2.410 178.467 176.094 -0.062 0.000 1.055 163 V CA 1.847 64.129 62.300 -0.031 0.000 1.049 163 V CB -1.164 30.656 31.823 -0.005 0.000 0.662 163 V HN 0.530 nan 8.190 nan 0.000 0.455 164 L N -0.293 120.885 121.223 -0.075 0.000 2.093 164 L HA -0.064 4.275 4.340 -0.000 0.000 0.208 164 L C 2.731 179.496 176.870 -0.174 0.000 1.085 164 L CA 1.270 56.047 54.840 -0.106 0.000 0.755 164 L CB -0.576 41.460 42.059 -0.038 0.000 0.904 164 L HN 0.251 nan 8.230 nan 0.000 0.435 165 V N -0.030 119.748 119.914 -0.226 0.000 2.255 165 V HA -0.327 3.793 4.120 -0.000 0.000 0.247 165 V C 2.197 178.208 176.094 -0.137 0.000 1.051 165 V CA 2.019 64.190 62.300 -0.214 0.000 1.018 165 V CB -0.481 31.202 31.823 -0.233 0.000 0.641 165 V HN 0.450 nan 8.190 nan 0.000 0.445 166 D N -0.252 120.085 120.400 -0.104 0.000 2.087 166 D HA -0.174 4.466 4.640 -0.000 0.000 0.192 166 D C 2.011 178.269 176.300 -0.071 0.000 0.993 166 D CA 1.490 55.444 54.000 -0.076 0.000 0.828 166 D CB -0.431 40.334 40.800 -0.058 0.000 0.968 166 D HN 0.312 nan 8.370 nan 0.000 0.448 167 L N 0.694 121.875 121.223 -0.070 0.000 1.970 167 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 167 L C 2.201 179.062 176.870 -0.015 0.000 1.071 167 L CA 1.491 56.308 54.840 -0.039 0.000 0.751 167 L CB -0.872 41.136 42.059 -0.084 0.000 0.889 167 L HN -0.031 nan 8.230 nan 0.000 0.432 168 L N 0.120 121.259 121.223 -0.139 0.000 2.127 168 L HA -0.126 4.214 4.340 -0.000 0.000 0.211 168 L C 2.535 179.342 176.870 -0.104 0.000 1.089 168 L CA 1.959 56.678 54.840 -0.202 0.000 0.757 168 L CB -1.806 40.044 42.059 -0.348 0.000 0.899 168 L HN 0.435 nan 8.230 nan 0.000 0.434 169 G N -1.148 107.596 108.800 -0.093 0.000 2.402 169 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 169 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 169 G C 1.726 176.572 174.900 -0.089 0.000 1.162 169 G CA 0.490 45.540 45.100 -0.082 0.000 0.777 169 G HN 0.311 nan 8.290 nan 0.000 0.539 170 K N -0.751 119.586 120.400 -0.104 0.000 2.228 170 K HA -0.122 4.198 4.320 -0.000 0.000 0.205 170 K C 0.820 177.165 176.600 -0.426 0.000 1.045 170 K CA 1.023 57.164 56.287 -0.243 0.000 0.931 170 K CB -0.201 32.142 32.500 -0.263 0.000 0.727 170 K HN 0.511 nan 8.250 nan 0.000 0.458 171 Y N -0.306 119.905 120.300 -0.147 0.000 2.751 171 Y HA 0.228 4.778 4.550 -0.000 0.000 0.289 171 Y C 0.979 176.803 175.900 -0.128 0.000 1.110 171 Y CA -0.288 57.721 58.100 -0.151 0.000 1.251 171 Y CB 0.800 39.147 38.460 -0.188 0.000 1.178 171 Y HN 0.103 nan 8.280 nan 0.000 0.540 172 G N 0.737 109.519 108.800 -0.030 0.000 2.337 172 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.290 172 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.290 172 G C -0.195 174.692 174.900 -0.022 0.000 1.003 172 G CA 0.544 45.625 45.100 -0.032 0.000 0.825 172 G HN 0.203 nan 8.290 nan 0.000 0.509 173 V N 0.167 120.054 119.914 -0.044 0.000 2.364 173 V HA 0.392 4.512 4.120 -0.000 0.000 0.272 173 V C 0.725 176.765 176.094 -0.091 0.000 1.036 173 V CA 0.005 62.256 62.300 -0.082 0.000 0.880 173 V CB 1.730 33.427 31.823 -0.210 0.000 0.991 173 V HN 0.246 nan 8.190 nan 0.000 0.460 174 D N 2.095 122.467 120.400 -0.047 0.000 2.433 174 D HA 0.051 4.691 4.640 -0.000 0.000 0.211 174 D C 0.795 177.087 176.300 -0.014 0.000 1.114 174 D CA 0.142 54.120 54.000 -0.037 0.000 0.837 174 D CB 0.540 41.329 40.800 -0.019 0.000 0.984 174 D HN 0.566 nan 8.370 nan 0.000 0.505 175 T N 2.764 117.322 114.554 0.006 0.000 2.934 175 T HA 0.125 4.475 4.350 -0.000 0.000 0.306 175 T C -2.268 172.468 174.700 0.060 0.000 1.042 175 T CA -0.717 61.423 62.100 0.066 0.000 1.145 175 T CB 0.871 69.840 68.868 0.169 0.000 0.982 175 T HN 0.072 nan 8.240 nan 0.000 0.544 176 P HA 0.061 nan 4.420 nan 0.000 0.266 176 P C 0.999 178.382 177.300 0.138 0.000 1.193 176 P CA -0.258 62.896 63.100 0.090 0.000 0.770 176 P CB 0.416 32.167 31.700 0.085 0.000 0.836 177 V N 2.948 122.942 119.914 0.132 0.000 2.343 177 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 177 V C 2.285 178.567 176.094 0.312 0.000 1.051 177 V CA 1.792 64.201 62.300 0.182 0.000 1.036 177 V CB -0.796 31.069 31.823 0.070 0.000 0.654 177 V HN 0.666 nan 8.190 nan 0.000 0.451 178 K N -0.502 120.006 120.400 0.180 0.000 2.148 178 K HA -0.216 4.104 4.320 -0.000 0.000 0.204 178 K C 2.184 178.886 176.600 0.171 0.000 1.050 178 K CA 1.435 57.755 56.287 0.054 0.000 0.942 178 K CB 0.045 32.426 32.500 -0.199 0.000 0.724 178 K HN 0.360 nan 8.250 nan 0.000 0.446 179 E N 0.194 120.499 120.200 0.175 0.000 2.028 179 E HA -0.181 4.169 4.350 -0.000 0.000 0.190 179 E C 1.699 178.449 176.600 0.250 0.000 0.984 179 E CA 1.227 57.733 56.400 0.177 0.000 0.800 179 E CB -0.632 29.143 29.700 0.125 0.000 0.758 179 E HN 0.302 nan 8.360 nan 0.000 0.448 180 Y N 0.233 120.630 120.300 0.161 0.000 2.096 180 Y HA -0.326 4.224 4.550 -0.000 0.000 0.276 180 Y C 2.240 178.306 175.900 0.277 0.000 1.209 180 Y CA 2.560 60.759 58.100 0.165 0.000 1.137 180 Y CB -0.446 38.081 38.460 0.111 0.000 0.956 180 Y HN 0.280 nan 8.280 nan 0.000 0.506 181 W N 1.407 122.903 121.300 0.326 0.000 2.318 181 W HA -0.259 4.401 4.660 -0.000 0.000 0.313 181 W C 1.185 177.806 176.519 0.170 0.000 1.221 181 W CA 2.450 60.016 57.345 0.369 0.000 1.266 181 W CB -0.505 29.211 29.460 0.426 0.000 1.150 181 W HN 0.249 nan 8.180 nan 0.000 0.496 182 D N 0.183 120.838 120.400 0.424 0.000 2.339 182 D HA -0.005 4.635 4.640 -0.000 0.000 0.217 182 D C 0.115 176.498 176.300 0.138 0.000 1.050 182 D CA 0.376 54.547 54.000 0.286 0.000 0.856 182 D CB -0.076 40.878 40.800 0.257 0.000 0.922 182 D HN 0.292 nan 8.370 nan 0.000 0.518 183 E N 0.731 120.966 120.200 0.060 0.000 2.413 183 E HA 0.103 4.453 4.350 -0.000 0.000 0.263 183 E C 0.357 176.970 176.600 0.022 0.000 1.015 183 E CA 0.191 56.601 56.400 0.015 0.000 0.916 183 E CB 1.406 31.066 29.700 -0.066 0.000 0.947 183 E HN 0.131 nan 8.360 nan 0.000 0.440 184 I N 2.886 123.483 120.570 0.045 0.000 2.395 184 I HA 0.029 4.199 4.170 -0.000 0.000 0.289 184 I C 1.006 177.103 176.117 -0.034 0.000 1.023 184 I CA -0.330 60.992 61.300 0.037 0.000 1.350 184 I CB 0.695 38.749 38.000 0.090 0.000 1.409 184 I HN 0.324 nan 8.210 nan 0.000 0.507 185 E N 3.764 123.912 120.200 -0.087 0.000 2.392 185 E HA 0.065 4.415 4.350 -0.000 0.000 0.259 185 E C 1.082 177.575 176.600 -0.178 0.000 1.108 185 E CA 0.203 56.548 56.400 -0.092 0.000 0.916 185 E CB 1.188 30.838 29.700 -0.083 0.000 0.989 185 E HN 0.825 nan 8.360 nan 0.000 0.432 186 G N 1.811 110.562 108.800 -0.082 0.000 2.505 186 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.220 186 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.220 186 G C 0.398 175.075 174.900 -0.371 0.000 1.145 186 G CA 0.836 45.911 45.100 -0.042 0.000 0.761 186 G HN 0.319 nan 8.290 nan 0.000 0.571 187 L N -0.944 119.870 121.223 -0.682 0.000 2.445 187 L HA 0.656 4.996 4.340 -0.000 0.000 0.262 187 L C -1.267 175.217 176.870 -0.644 0.000 0.974 187 L CA -0.334 54.035 54.840 -0.786 0.000 0.822 187 L CB 2.631 43.978 42.059 -1.186 0.000 1.339 187 L HN -0.096 nan 8.230 nan 0.000 0.409 188 T N 5.224 119.403 114.554 -0.625 0.000 2.881 188 T HA 0.593 4.943 4.350 -0.000 0.000 0.291 188 T C -0.547 173.867 174.700 -0.477 0.000 0.990 188 T CA -0.142 61.639 62.100 -0.533 0.000 0.976 188 T CB 0.986 69.531 68.868 -0.538 0.000 0.970 188 T HN 0.400 nan 8.240 nan 0.000 0.438 189 I N 3.257 123.542 120.570 -0.474 0.000 2.315 189 I HA 0.387 4.557 4.170 -0.000 0.000 0.291 189 I C -0.312 175.401 176.117 -0.673 0.000 1.006 189 I CA -0.840 60.120 61.300 -0.566 0.000 1.265 189 I CB 1.298 38.940 38.000 -0.596 0.000 1.387 189 I HN 0.274 nan 8.210 nan 0.000 0.475 190 V N 7.095 126.635 119.914 -0.624 0.000 2.347 190 V HA 0.225 4.345 4.120 -0.000 0.000 0.280 190 V C -0.060 175.831 176.094 -0.338 0.000 1.021 190 V CA -0.445 61.579 62.300 -0.460 0.000 0.847 190 V CB 0.909 32.412 31.823 -0.533 0.000 0.990 190 V HN 0.463 nan 8.190 nan 0.000 0.444 191 F N 5.678 125.626 119.950 -0.002 0.000 2.833 191 F HA 0.449 4.976 4.527 -0.000 0.000 0.327 191 F C 0.272 176.121 175.800 0.081 0.000 1.184 191 F CA 0.117 58.132 58.000 0.023 0.000 1.328 191 F CB -0.437 38.559 39.000 -0.007 0.000 1.440 191 F HN 0.247 nan 8.300 nan 0.000 0.569 192 L N 1.403 122.774 121.223 0.246 0.000 2.371 192 L HA 0.542 4.882 4.340 -0.000 0.000 0.262 192 L C -2.501 174.547 176.870 0.296 0.000 1.006 192 L CA -2.404 52.616 54.840 0.300 0.000 0.818 192 L CB 2.883 45.204 42.059 0.437 0.000 1.354 192 L HN -0.174 nan 8.230 nan 0.000 0.415 193 P HA 0.099 nan 4.420 nan 0.000 0.279 193 P C -0.131 177.233 177.300 0.107 0.000 1.239 193 P CA -0.425 62.773 63.100 0.164 0.000 0.789 193 P CB 1.445 33.211 31.700 0.109 0.000 0.933 194 K N 2.086 122.467 120.400 -0.032 0.000 2.127 194 K HA -0.193 4.127 4.320 -0.000 0.000 0.208 194 K C 1.966 178.360 176.600 -0.343 0.000 1.047 194 K CA 1.999 58.020 56.287 -0.443 0.000 0.927 194 K CB -0.368 31.868 32.500 -0.440 0.000 0.716 194 K HN 0.350 nan 8.250 nan 0.000 0.450 195 S N -0.553 115.061 115.700 -0.143 0.000 2.474 195 S HA -0.104 4.366 4.470 -0.000 0.000 0.235 195 S C 1.441 176.013 174.600 -0.047 0.000 0.997 195 S CA 0.516 58.646 58.200 -0.116 0.000 0.949 195 S CB -0.329 62.830 63.200 -0.068 0.000 0.766 195 S HN 0.433 nan 8.310 nan 0.000 0.517 196 F N 2.003 121.878 119.950 -0.126 0.000 2.558 196 F HA 0.318 4.845 4.527 -0.000 0.000 0.298 196 F C 0.949 176.658 175.800 -0.152 0.000 1.119 196 F CA 0.217 58.188 58.000 -0.048 0.000 1.451 196 F CB -0.175 38.897 39.000 0.120 0.000 1.091 196 F HN 0.221 nan 8.300 nan 0.000 0.563 197 Q N 2.439 122.068 119.800 -0.284 0.000 2.295 197 Q HA 0.239 4.579 4.340 -0.000 0.000 0.259 197 Q C -2.603 172.986 176.000 -0.685 0.000 0.976 197 Q CA -2.480 53.009 55.803 -0.523 0.000 0.923 197 Q CB 0.793 29.184 28.738 -0.577 0.000 1.185 197 Q HN -0.045 nan 8.270 nan 0.000 0.410 198 P HA -0.034 nan 4.420 nan 0.000 0.262 198 P C -0.881 176.190 177.300 -0.381 0.000 1.182 198 P CA 0.353 62.934 63.100 -0.867 0.000 0.761 198 P CB 0.103 30.951 31.700 -1.420 0.000 0.795 199 F N 0.009 119.742 119.950 -0.363 0.000 3.093 199 F HA -0.299 4.228 4.527 -0.000 0.000 0.287 199 F C 1.694 177.484 175.800 -0.018 0.000 0.882 199 F CA 0.455 58.372 58.000 -0.139 0.000 1.063 199 F CB -2.288 36.699 39.000 -0.021 0.000 1.097 199 F HN 0.378 nan 8.300 nan 0.000 0.604 200 A N 0.716 123.483 122.820 -0.089 0.000 1.917 200 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 200 A C 2.301 179.885 177.584 0.001 0.000 1.182 200 A CA 1.986 53.925 52.037 -0.164 0.000 0.633 200 A CB -0.454 18.303 19.000 -0.404 0.000 0.819 200 A HN 0.619 nan 8.150 nan 0.000 0.448 201 E N 0.726 120.895 120.200 -0.051 0.000 2.219 201 E HA -0.236 4.114 4.350 -0.000 0.000 0.198 201 E C 1.644 178.211 176.600 -0.055 0.000 0.998 201 E CA 1.941 58.312 56.400 -0.048 0.000 0.818 201 E CB -1.547 28.108 29.700 -0.075 0.000 0.741 201 E HN 0.686 nan 8.360 nan 0.000 0.477 202 T N -2.184 112.308 114.554 -0.103 0.000 3.113 202 T HA 0.050 4.400 4.350 -0.000 0.000 0.256 202 T C 0.393 174.868 174.700 -0.373 0.000 1.131 202 T CA -0.369 61.512 62.100 -0.365 0.000 1.074 202 T CB -0.565 67.851 68.868 -0.755 0.000 0.944 202 T HN 0.022 nan 8.240 nan 0.000 0.516 203 F N 3.839 123.707 119.950 -0.138 0.000 2.421 203 F HA 0.378 4.905 4.527 -0.000 0.000 0.358 203 F C 0.828 176.668 175.800 0.067 0.000 1.115 203 F CA -1.501 56.401 58.000 -0.164 0.000 1.160 203 F CB 0.557 39.445 39.000 -0.186 0.000 1.123 203 F HN 0.250 nan 8.300 nan 0.000 0.508 204 D N 2.230 122.805 120.400 0.292 0.000 2.440 204 D HA -0.011 4.629 4.640 -0.000 0.000 0.269 204 D C 1.254 177.771 176.300 0.363 0.000 1.249 204 D CA -0.317 53.858 54.000 0.292 0.000 1.055 204 D CB 0.272 41.198 40.800 0.211 0.000 1.104 204 D HN 0.566 nan 8.370 nan 0.000 0.561 205 E N 0.116 120.442 120.200 0.211 0.000 2.265 205 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 205 E C 1.408 178.058 176.600 0.084 0.000 0.996 205 E CA 0.767 57.252 56.400 0.141 0.000 0.832 205 E CB -0.383 29.370 29.700 0.088 0.000 0.756 205 E HN 0.483 nan 8.360 nan 0.000 0.491 206 R N -0.125 120.405 120.500 0.051 0.000 2.339 206 R HA 0.142 4.482 4.340 -0.000 0.000 0.199 206 R C -0.245 175.802 176.300 -0.422 0.000 1.018 206 R CA 0.204 56.185 56.100 -0.199 0.000 1.036 206 R CB -0.143 29.989 30.300 -0.279 0.000 0.899 206 R HN 0.065 nan 8.270 nan 0.000 0.473 207 F N 0.179 120.089 119.950 -0.067 0.000 2.460 207 F HA 0.435 4.962 4.527 -0.000 0.000 0.341 207 F C -0.027 175.622 175.800 -0.251 0.000 1.130 207 F CA -1.104 56.777 58.000 -0.197 0.000 0.962 207 F CB 1.693 40.640 39.000 -0.088 0.000 1.171 207 F HN -0.172 nan 8.300 nan 0.000 0.436 208 A N 4.341 127.017 122.820 -0.241 0.000 2.256 208 A HA 0.642 4.962 4.320 -0.000 0.000 0.317 208 A C -1.140 176.254 177.584 -0.316 0.000 1.318 208 A CA -0.456 51.472 52.037 -0.182 0.000 0.894 208 A CB -0.228 18.672 19.000 -0.167 0.000 1.165 208 A HN 0.621 nan 8.150 nan 0.000 0.525 209 F N 3.093 123.033 119.950 -0.017 0.000 2.462 209 F HA 0.262 4.788 4.527 -0.000 0.000 0.354 209 F C 1.462 177.247 175.800 -0.025 0.000 1.192 209 F CA -0.074 57.908 58.000 -0.030 0.000 1.173 209 F CB 0.995 39.987 39.000 -0.014 0.000 1.402 209 F HN 0.467 nan 8.300 nan 0.000 0.595 210 V N 0.837 120.768 119.914 0.028 0.000 3.660 210 V HA 0.628 4.748 4.120 -0.000 0.000 0.276 210 V C 0.980 177.130 176.094 0.093 0.000 1.317 210 V CA 0.300 62.616 62.300 0.027 0.000 1.097 210 V CB -0.591 31.195 31.823 -0.062 0.000 0.863 210 V HN 0.913 nan 8.190 nan 0.000 0.438 211 G N 1.189 110.070 108.800 0.135 0.000 2.796 211 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.571 211 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.571 211 G C -2.733 172.288 174.900 0.202 0.000 1.370 211 G CA -0.388 44.807 45.100 0.158 0.000 0.856 211 G HN 0.539 nan 8.290 nan 0.000 0.538 212 P HA 0.275 nan 4.420 nan 0.000 0.269 212 P C 0.357 177.726 177.300 0.115 0.000 1.209 212 P CA 0.291 63.474 63.100 0.139 0.000 0.776 212 P CB 0.501 32.254 31.700 0.088 0.000 0.876 213 T N 4.984 119.560 114.554 0.037 0.000 2.853 213 T HA 0.389 4.739 4.350 -0.000 0.000 0.298 213 T C 0.244 174.956 174.700 0.020 0.000 0.978 213 T CA 0.589 62.671 62.100 -0.030 0.000 1.152 213 T CB -0.372 68.338 68.868 -0.263 0.000 0.914 213 T HN 0.454 nan 8.240 nan 0.000 0.539 221 P HA 0.093 nan 4.420 nan 0.000 0.264 221 P C 0.049 177.384 177.300 0.059 0.000 1.173 221 P CA 0.225 63.352 63.100 0.045 0.000 0.761 221 P CB 0.389 32.101 31.700 0.019 0.000 0.794 222 G N 0.484 109.326 108.800 0.070 0.000 2.547 222 G HA2 0.296 4.256 3.960 -0.000 0.000 0.291 222 G HA3 0.296 4.256 3.960 -0.000 0.000 0.291 222 G C -1.269 173.684 174.900 0.088 0.000 1.211 222 G CA -0.788 44.365 45.100 0.088 0.000 0.950 222 G HN 0.606 nan 8.290 nan 0.000 0.504 223 W N 0.253 121.494 121.300 -0.097 0.000 2.190 223 W HA 0.435 5.095 4.660 -0.000 0.000 0.330 223 W C -0.022 176.383 176.519 -0.190 0.000 1.299 223 W CA -0.065 57.200 57.345 -0.134 0.000 1.215 223 W CB 0.727 30.094 29.460 -0.155 0.000 1.147 223 W HN 0.255 nan 8.180 nan 0.000 0.563 224 Q N 7.014 126.160 119.800 -1.089 0.000 2.356 224 Q HA 0.316 4.656 4.340 -0.000 0.000 0.270 224 Q C -2.287 172.598 176.000 -1.859 0.000 1.058 224 Q CA -2.047 53.050 55.803 -1.178 0.000 0.802 224 Q CB 1.751 30.131 28.738 -0.597 0.000 1.303 224 Q HN 0.345 nan 8.270 nan 0.000 0.444 225 P HA 0.084 nan 4.420 nan 0.000 0.271 225 P C -1.890 174.975 177.300 -0.725 0.000 1.216 225 P CA -0.830 61.572 63.100 -1.163 0.000 0.771 225 P CB 0.709 32.096 31.700 -0.521 0.000 0.864 226 P HA -0.015 nan 4.420 nan 0.000 0.222 226 P C 0.403 177.561 177.300 -0.238 0.000 1.153 226 P CA 1.042 63.920 63.100 -0.371 0.000 0.798 226 P CB 0.732 32.262 31.700 -0.284 0.000 0.796 227 R N 0.474 120.844 120.500 -0.216 0.000 2.371 227 R HA 0.343 4.683 4.340 -0.000 0.000 0.312 227 R C -2.052 174.179 176.300 -0.115 0.000 0.980 227 R CA -1.940 54.087 56.100 -0.122 0.000 0.867 227 R CB 1.412 31.678 30.300 -0.057 0.000 1.163 227 R HN -0.196 nan 8.270 nan 0.000 0.492 228 P HA -0.112 nan 4.420 nan 0.000 0.219 228 P C -0.099 177.174 177.300 -0.044 0.000 1.146 228 P CA 1.004 64.059 63.100 -0.075 0.000 0.808 228 P CB 0.338 32.001 31.700 -0.063 0.000 0.779 229 D N -1.399 118.972 120.400 -0.047 0.000 2.350 229 D HA 0.125 4.765 4.640 -0.000 0.000 0.213 229 D C 0.747 177.008 176.300 -0.066 0.000 1.031 229 D CA 0.161 54.132 54.000 -0.047 0.000 0.861 229 D CB -0.337 40.436 40.800 -0.044 0.000 0.926 229 D HN 0.066 nan 8.370 nan 0.000 0.520 230 A N 2.175 124.962 122.820 -0.056 0.000 2.401 230 A HA 0.391 4.711 4.320 -0.000 0.000 0.259 230 A C -2.161 175.353 177.584 -0.116 0.000 1.103 230 A CA -1.030 50.965 52.037 -0.070 0.000 0.789 230 A CB 0.108 19.119 19.000 0.019 0.000 1.035 230 A HN -0.076 nan 8.150 nan 0.000 0.491 231 P HA 0.215 nan 4.420 nan 0.000 0.271 231 P C -0.687 176.500 177.300 -0.189 0.000 1.220 231 P CA 0.112 62.913 63.100 -0.499 0.000 0.768 231 P CB 0.860 31.800 31.700 -1.266 0.000 0.848 232 V N 5.198 125.164 119.914 0.087 0.000 2.435 232 V HA 0.275 4.395 4.120 -0.000 0.000 0.290 232 V C 0.323 176.636 176.094 0.366 0.000 1.030 232 V CA -0.654 61.820 62.300 0.290 0.000 0.881 232 V CB 1.418 33.417 31.823 0.292 0.000 0.983 232 V HN 0.430 nan 8.190 nan 0.000 0.445 233 L N 6.163 127.542 121.223 0.261 0.000 2.313 233 L HA 0.664 5.004 4.340 -0.000 0.000 0.283 233 L C -0.858 175.925 176.870 -0.144 0.000 1.013 233 L CA -0.360 54.467 54.840 -0.022 0.000 0.816 233 L CB 1.515 43.290 42.059 -0.474 0.000 1.236 233 L HN 0.611 nan 8.230 nan 0.000 0.419 234 L N 6.530 127.662 121.223 -0.151 0.000 2.275 234 L HA 0.653 4.993 4.340 -0.000 0.000 0.288 234 L C -1.043 175.724 176.870 -0.170 0.000 1.046 234 L CA -0.095 54.605 54.840 -0.234 0.000 0.805 234 L CB 1.493 43.376 42.059 -0.292 0.000 1.193 234 L HN 0.433 nan 8.230 nan 0.000 0.426 235 V N 4.248 124.076 119.914 -0.144 0.000 2.417 235 V HA 0.764 4.884 4.120 -0.000 0.000 0.291 235 V C -0.116 176.031 176.094 0.089 0.000 1.024 235 V CA -0.399 61.911 62.300 0.017 0.000 0.861 235 V CB 1.246 33.122 31.823 0.088 0.000 0.985 235 V HN 0.850 nan 8.190 nan 0.000 0.436 236 S N 3.937 119.750 115.700 0.188 0.000 2.543 236 S HA 0.640 5.110 4.470 -0.000 0.000 0.271 236 S C -0.455 174.292 174.600 0.245 0.000 1.148 236 S CA -0.541 57.822 58.200 0.270 0.000 0.914 236 S CB 1.512 64.951 63.200 0.398 0.000 1.096 236 S HN 0.615 nan 8.310 nan 0.000 0.471 237 L N 3.805 125.097 121.223 0.114 0.000 2.965 237 L HA 0.513 4.853 4.340 -0.000 0.000 0.254 237 L C 1.067 177.544 176.870 -0.654 0.000 1.220 237 L CA 0.119 54.775 54.840 -0.306 0.000 1.023 237 L CB -0.193 41.545 42.059 -0.535 0.000 1.355 237 L HN 1.023 nan 8.230 nan 0.000 0.545 238 G N 1.274 109.905 108.800 -0.281 0.000 2.728 238 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.294 238 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.294 238 G C -0.412 174.432 174.900 -0.093 0.000 1.342 238 G CA -0.435 44.550 45.100 -0.191 0.000 0.866 238 G HN 0.353 nan 8.290 nan 0.000 0.534 239 N N 1.235 119.893 118.700 -0.070 0.000 2.968 239 N HA 0.275 5.015 4.740 -0.000 0.000 0.271 239 N C 0.726 176.236 175.510 -0.000 0.000 1.174 239 N CA 0.019 53.048 53.050 -0.034 0.000 1.096 239 N CB 0.099 38.603 38.487 0.028 0.000 1.403 239 N HN 0.548 nan 8.380 nan 0.000 0.522 240 Q N 1.181 120.959 119.800 -0.036 0.000 2.474 240 Q HA -0.031 4.309 4.340 -0.000 0.000 0.256 240 Q C 0.465 176.255 176.000 -0.349 0.000 1.048 240 Q CA 0.229 55.978 55.803 -0.091 0.000 0.922 240 Q CB 0.627 29.361 28.738 -0.007 0.000 1.288 240 Q HN 0.595 nan 8.270 nan 0.000 0.484 241 F N 1.538 121.153 119.950 -0.557 0.000 2.243 241 F HA -0.068 4.459 4.527 -0.000 0.000 0.287 241 F C 0.900 176.295 175.800 -0.674 0.000 1.067 241 F CA 0.099 57.493 58.000 -1.010 0.000 1.304 241 F CB 0.261 38.895 39.000 -0.609 0.000 1.087 241 F HN 0.658 nan 8.300 nan 0.000 0.513 242 N N 1.140 119.762 118.700 -0.130 0.000 2.525 242 N HA 0.123 4.863 4.740 -0.000 0.000 0.271 242 N C -1.461 173.770 175.510 -0.465 0.000 1.194 242 N CA -0.314 52.620 53.050 -0.193 0.000 0.964 242 N CB 0.364 38.801 38.487 -0.083 0.000 1.126 242 N HN 0.263 nan 8.380 nan 0.000 0.452 243 E N 0.109 120.069 120.200 -0.400 0.000 2.166 243 E HA 0.202 4.552 4.350 -0.000 0.000 0.275 243 E C -0.792 175.569 176.600 -0.399 0.000 0.941 243 E CA -0.763 55.419 56.400 -0.364 0.000 0.784 243 E CB 1.043 30.659 29.700 -0.139 0.000 1.115 243 E HN 0.636 nan 8.360 nan 0.000 0.399 244 H N 3.139 122.233 119.070 0.039 0.000 2.351 244 H HA 0.133 4.689 4.556 -0.000 0.000 0.232 244 H C -1.988 173.409 175.328 0.115 0.000 1.452 244 H CA -1.974 54.080 56.048 0.010 0.000 1.236 244 H CB 0.274 29.870 29.762 -0.277 0.000 1.579 244 H HN 0.427 nan 8.280 nan 0.000 0.535 245 P HA -0.167 nan 4.420 nan 0.000 0.218 245 P C 0.910 178.324 177.300 0.190 0.000 1.148 245 P CA 1.095 64.329 63.100 0.225 0.000 0.822 245 P CB 0.620 32.389 31.700 0.115 0.000 0.784 246 E N -0.404 119.891 120.200 0.158 0.000 2.077 246 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 246 E C 1.872 178.544 176.600 0.120 0.000 0.989 246 E CA 0.953 57.431 56.400 0.130 0.000 0.800 246 E CB -1.336 28.449 29.700 0.141 0.000 0.746 246 E HN 0.232 nan 8.360 nan 0.000 0.452 247 F N 0.175 120.102 119.950 -0.039 0.000 2.134 247 F HA -0.154 4.373 4.527 -0.000 0.000 0.299 247 F C 1.624 177.297 175.800 -0.212 0.000 1.097 247 F CA 1.230 59.129 58.000 -0.169 0.000 1.264 247 F CB -0.173 38.588 39.000 -0.398 0.000 1.001 247 F HN -0.061 nan 8.300 nan 0.000 0.479 248 F N 0.573 120.468 119.950 -0.093 0.000 2.186 248 F HA -0.048 4.479 4.527 -0.000 0.000 0.299 248 F C 2.517 178.210 175.800 -0.178 0.000 1.090 248 F CA 1.273 59.157 58.000 -0.193 0.000 1.307 248 F CB -0.922 38.035 39.000 -0.073 0.000 1.019 248 F HN -0.164 nan 8.300 nan 0.000 0.489 249 R N 0.074 120.608 120.500 0.058 0.000 2.081 249 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 249 R C 2.434 178.700 176.300 -0.058 0.000 1.131 249 R CA 1.244 57.347 56.100 0.006 0.000 0.960 249 R CB -0.853 29.461 30.300 0.023 0.000 0.856 249 R HN 0.289 nan 8.270 nan 0.000 0.436 250 A N 0.710 123.464 122.820 -0.109 0.000 1.902 250 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 250 A C 2.445 179.908 177.584 -0.201 0.000 1.181 250 A CA 1.439 53.391 52.037 -0.142 0.000 0.623 250 A CB -0.802 18.122 19.000 -0.127 0.000 0.818 250 A HN 0.440 nan 8.150 nan 0.000 0.443 251 C N -1.031 118.084 119.300 -0.308 0.000 2.429 251 C HA 0.024 4.484 4.460 -0.000 0.000 0.277 251 C C 3.326 178.318 174.990 0.002 0.000 1.262 251 C CA 0.803 59.713 59.018 -0.181 0.000 1.733 251 C CB -1.390 26.184 27.740 -0.276 0.000 2.010 251 C HN 0.709 nan 8.230 nan 0.000 0.483 252 A N 0.017 122.822 122.820 -0.026 0.000 1.883 252 A HA -0.276 4.043 4.320 -0.000 0.000 0.217 252 A C 2.047 179.629 177.584 -0.003 0.000 1.186 252 A CA 1.923 53.963 52.037 0.005 0.000 0.624 252 A CB -0.690 18.303 19.000 -0.012 0.000 0.822 252 A HN 0.747 nan 8.150 nan 0.000 0.444 253 Q N -0.734 119.038 119.800 -0.046 0.000 2.084 253 Q HA -0.073 4.267 4.340 -0.000 0.000 0.202 253 Q C 2.427 178.357 176.000 -0.118 0.000 0.978 253 Q CA 1.418 57.182 55.803 -0.065 0.000 0.844 253 Q CB -0.418 28.279 28.738 -0.068 0.000 0.898 253 Q HN 0.691 nan 8.270 nan 0.000 0.426 254 A N 0.132 122.831 122.820 -0.202 0.000 1.908 254 A HA -0.164 4.155 4.320 -0.000 0.000 0.218 254 A C 1.444 178.662 177.584 -0.610 0.000 1.181 254 A CA 1.402 53.167 52.037 -0.454 0.000 0.627 254 A CB -0.492 18.117 19.000 -0.651 0.000 0.818 254 A HN 0.381 nan 8.150 nan 0.000 0.445 255 F N -0.395 119.499 119.950 -0.094 0.000 2.695 255 F HA 0.471 4.998 4.527 -0.000 0.000 0.303 255 F C 1.398 177.204 175.800 0.009 0.000 1.091 255 F CA -0.330 57.640 58.000 -0.050 0.000 1.300 255 F CB -0.167 38.775 39.000 -0.097 0.000 1.071 255 F HN 0.173 nan 8.300 nan 0.000 0.578 256 A N 0.528 123.401 122.820 0.088 0.000 2.540 256 A HA 0.130 4.450 4.320 -0.000 0.000 0.239 256 A C 0.918 178.542 177.584 0.066 0.000 1.061 256 A CA 0.410 52.485 52.037 0.063 0.000 0.758 256 A CB -0.288 18.723 19.000 0.018 0.000 0.991 256 A HN 0.567 nan 8.150 nan 0.000 0.502 257 D N -0.297 120.150 120.400 0.078 0.000 3.079 257 D HA -0.164 4.475 4.640 -0.000 0.000 0.214 257 D C 0.501 176.863 176.300 0.103 0.000 1.145 257 D CA 1.805 55.848 54.000 0.072 0.000 0.958 257 D CB -2.141 38.683 40.800 0.041 0.000 1.117 257 D HN 1.032 nan 8.370 nan 0.000 0.416 258 T N -3.435 111.221 114.554 0.170 0.000 2.948 258 T HA 0.562 4.912 4.350 -0.000 0.000 0.285 258 T C -2.011 172.831 174.700 0.237 0.000 1.019 258 T CA -1.409 60.840 62.100 0.248 0.000 1.013 258 T CB 2.525 71.660 68.868 0.446 0.000 1.117 258 T HN -0.363 nan 8.240 nan 0.000 0.533 259 P HA 0.126 nan 4.420 nan 0.000 0.234 259 P C -0.408 176.936 177.300 0.074 0.000 1.167 259 P CA -0.008 63.135 63.100 0.073 0.000 0.763 259 P CB -0.058 31.622 31.700 -0.034 0.000 0.835 260 W N 0.024 121.399 121.300 0.125 0.000 2.158 260 W HA 0.169 4.829 4.660 -0.000 0.000 0.339 260 W C 0.899 177.471 176.519 0.087 0.000 1.294 260 W CA 0.462 57.856 57.345 0.082 0.000 1.231 260 W CB -0.110 29.363 29.460 0.022 0.000 1.143 260 W HN 0.023 nan 8.180 nan 0.000 0.571 261 H N 1.326 120.543 119.070 0.246 0.000 2.481 261 H HA 0.551 5.107 4.556 -0.000 0.000 0.333 261 H C -1.130 174.286 175.328 0.147 0.000 1.066 261 H CA -0.537 55.627 56.048 0.192 0.000 1.209 261 H CB 0.776 30.654 29.762 0.193 0.000 1.445 261 H HN 0.134 nan 8.280 nan 0.000 0.488 262 V N 6.595 126.320 119.914 -0.315 0.000 2.459 262 V HA 0.391 4.510 4.120 -0.000 0.000 0.295 262 V C -0.270 175.672 176.094 -0.254 0.000 1.029 262 V CA -0.664 61.488 62.300 -0.247 0.000 0.874 262 V CB 1.332 32.997 31.823 -0.265 0.000 0.985 262 V HN 0.590 nan 8.190 nan 0.000 0.438 266 I N 0.463 120.729 120.570 -0.506 0.000 3.860 266 I HA 0.581 4.750 4.170 -0.000 0.000 0.319 266 I C 0.815 176.715 176.117 -0.362 0.000 1.279 266 I CA 0.356 61.229 61.300 -0.712 0.000 1.220 266 I CB 0.285 37.738 38.000 -0.912 0.000 1.027 266 I HN 1.765 nan 8.210 nan 0.000 0.428 267 G N 1.012 109.565 108.800 -0.411 0.000 2.756 267 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.678 267 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.678 267 G C 0.411 174.916 174.900 -0.658 0.000 1.349 267 G CA -0.426 44.375 45.100 -0.497 0.000 0.847 267 G HN 0.505 nan 8.290 nan 0.000 0.548 268 G N -1.234 107.149 108.800 -0.694 0.000 2.920 268 G HA2 0.393 4.353 3.960 -0.000 0.000 0.208 268 G HA3 0.393 4.353 3.960 -0.000 0.000 0.208 268 G C 1.124 175.751 174.900 -0.456 0.000 1.159 268 G CA 1.260 46.016 45.100 -0.573 0.000 0.784 268 G HN 0.466 nan 8.290 nan 0.000 0.535 269 F N -0.830 118.961 119.950 -0.266 0.000 2.559 269 F HA 0.422 4.948 4.527 -0.000 0.000 0.286 269 F C 0.803 176.481 175.800 -0.204 0.000 1.108 269 F CA -0.555 57.300 58.000 -0.241 0.000 1.436 269 F CB 0.314 39.123 39.000 -0.319 0.000 1.130 269 F HN -0.058 nan 8.300 nan 0.000 0.584 270 L N 1.302 122.505 121.223 -0.034 0.000 2.305 270 L HA 0.233 4.573 4.340 -0.000 0.000 0.281 270 L C -0.317 176.484 176.870 -0.116 0.000 1.085 270 L CA -0.418 54.380 54.840 -0.070 0.000 0.813 270 L CB 0.221 42.237 42.059 -0.072 0.000 1.157 270 L HN -0.104 nan 8.230 nan 0.000 0.436 271 D N 6.185 126.534 120.400 -0.085 0.000 2.295 271 D HA 0.217 4.857 4.640 -0.000 0.000 0.248 271 D C -1.841 174.400 176.300 -0.099 0.000 1.154 271 D CA -1.951 51.997 54.000 -0.086 0.000 0.857 271 D CB 1.788 42.554 40.800 -0.057 0.000 1.117 271 D HN 0.329 nan 8.370 nan 0.000 0.468 272 P HA -0.131 nan 4.420 nan 0.000 0.217 272 P C 1.020 178.261 177.300 -0.098 0.000 1.148 272 P CA 1.345 64.360 63.100 -0.141 0.000 0.828 272 P CB 0.153 31.753 31.700 -0.166 0.000 0.783 273 A N -0.336 122.440 122.820 -0.073 0.000 1.917 273 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 273 A C 2.328 179.889 177.584 -0.039 0.000 1.182 273 A CA 2.008 54.014 52.037 -0.050 0.000 0.633 273 A CB -1.848 17.128 19.000 -0.039 0.000 0.819 273 A HN 0.071 nan 8.150 nan 0.000 0.448 274 V N 0.121 120.013 119.914 -0.036 0.000 2.439 274 V HA -0.291 3.829 4.120 -0.000 0.000 0.253 274 V C 2.305 178.393 176.094 -0.010 0.000 1.074 274 V CA 2.046 64.334 62.300 -0.019 0.000 1.076 274 V CB -0.754 31.060 31.823 -0.015 0.000 0.664 274 V HN 0.611 nan 8.190 nan 0.000 0.461 275 L N -0.393 120.817 121.223 -0.022 0.000 2.552 275 L HA 0.319 4.659 4.340 -0.000 0.000 0.227 275 L C 1.300 178.162 176.870 -0.014 0.000 1.146 275 L CA 0.561 55.395 54.840 -0.010 0.000 0.858 275 L CB -1.055 40.990 42.059 -0.025 0.000 0.969 275 L HN 0.533 nan 8.230 nan 0.000 0.451 276 G N 0.653 109.441 108.800 -0.020 0.000 2.828 276 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.463 276 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.463 276 G C -2.396 172.490 174.900 -0.023 0.000 1.394 276 G CA -0.912 44.177 45.100 -0.018 0.000 0.862 276 G HN 0.101 nan 8.290 nan 0.000 0.540 277 P HA 0.308 nan 4.420 nan 0.000 0.263 277 P C 0.067 177.355 177.300 -0.021 0.000 1.175 277 P CA 0.334 63.422 63.100 -0.019 0.000 0.761 277 P CB 0.315 32.008 31.700 -0.012 0.000 0.794 278 L N 4.498 125.706 121.223 -0.025 0.000 2.330 278 L HA 0.501 4.841 4.340 -0.000 0.000 0.271 278 L C -1.568 175.295 176.870 -0.011 0.000 1.013 278 L CA -2.238 52.587 54.840 -0.025 0.000 0.816 278 L CB 1.363 43.395 42.059 -0.045 0.000 1.287 278 L HN 0.318 nan 8.230 nan 0.000 0.435 279 P HA 0.212 nan 4.420 nan 0.000 0.273 279 P C -2.432 174.878 177.300 0.015 0.000 1.250 279 P CA -1.293 61.813 63.100 0.010 0.000 0.793 279 P CB 0.092 31.804 31.700 0.020 0.000 1.011 280 P HA -0.048 nan 4.420 nan 0.000 0.229 280 P C 0.793 178.143 177.300 0.084 0.000 1.160 280 P CA 0.941 64.074 63.100 0.055 0.000 0.777 280 P CB -0.173 31.561 31.700 0.058 0.000 0.814 281 N N -0.660 118.074 118.700 0.056 0.000 2.268 281 N HA 0.042 4.782 4.740 -0.000 0.000 0.204 281 N C -0.514 174.833 175.510 -0.272 0.000 1.124 281 N CA 0.007 53.068 53.050 0.019 0.000 0.838 281 N CB 0.003 38.557 38.487 0.111 0.000 0.994 281 N HN -0.058 nan 8.380 nan 0.000 0.489 282 V N 1.300 121.110 119.914 -0.174 0.000 2.531 282 V HA 0.345 4.465 4.120 -0.000 0.000 0.301 282 V C -0.488 175.523 176.094 -0.138 0.000 1.034 282 V CA -0.932 61.253 62.300 -0.192 0.000 0.865 282 V CB 1.788 33.562 31.823 -0.082 0.000 0.995 282 V HN 0.341 nan 8.190 nan 0.000 0.424 283 E N 3.940 124.056 120.200 -0.141 0.000 2.256 283 E HA 0.889 5.239 4.350 -0.000 0.000 0.267 283 E C -0.899 175.592 176.600 -0.182 0.000 0.892 283 E CA -1.030 55.313 56.400 -0.095 0.000 0.775 283 E CB 2.717 32.482 29.700 0.109 0.000 1.207 283 E HN 0.704 nan 8.360 nan 0.000 0.420 284 A N 3.199 125.813 122.820 -0.344 0.000 2.371 284 A HA 0.601 4.921 4.320 -0.000 0.000 0.311 284 A C -1.249 175.984 177.584 -0.586 0.000 1.068 284 A CA -0.662 51.152 52.037 -0.371 0.000 0.744 284 A CB 1.120 19.939 19.000 -0.302 0.000 1.239 284 A HN 0.711 nan 8.150 nan 0.000 0.435 285 H N 1.147 120.091 119.070 -0.210 0.000 2.974 285 H HA 0.238 4.794 4.556 -0.000 0.000 0.366 285 H C 0.109 175.277 175.328 -0.266 0.000 1.155 285 H CA -0.462 55.489 56.048 -0.162 0.000 1.186 285 H CB 1.968 31.677 29.762 -0.090 0.000 1.799 285 H HN 0.854 nan 8.280 nan 0.000 0.541 286 Q N 1.294 120.974 119.800 -0.201 0.000 2.050 286 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 286 Q C -0.289 175.276 176.000 -0.725 0.000 0.980 286 Q CA 1.661 57.120 55.803 -0.573 0.000 0.840 286 Q CB 0.285 28.600 28.738 -0.705 0.000 0.898 286 Q HN 0.429 nan 8.270 nan 0.000 0.424 287 W N 0.893 122.223 121.300 0.050 0.000 2.702 287 W HA 0.561 5.221 4.660 -0.000 0.000 0.331 287 W C -0.553 175.977 176.519 0.018 0.000 1.049 287 W CA -0.926 56.450 57.345 0.052 0.000 1.230 287 W CB 0.995 30.473 29.460 0.030 0.000 1.408 287 W HN -0.048 nan 8.180 nan 0.000 0.492 288 I N 0.660 121.369 120.570 0.233 0.000 2.828 288 I HA 0.709 4.879 4.170 -0.000 0.000 0.302 288 I C -2.468 173.741 176.117 0.154 0.000 1.101 288 I CA -2.981 58.325 61.300 0.010 0.000 1.031 288 I CB 2.153 40.019 38.000 -0.224 0.000 1.231 288 I HN 0.086 nan 8.210 nan 0.000 0.427 289 P HA 0.274 nan 4.420 nan 0.000 0.277 289 P C 0.144 177.510 177.300 0.111 0.000 1.354 289 P CA 0.044 63.239 63.100 0.158 0.000 0.891 289 P CB 0.347 32.108 31.700 0.102 0.000 1.058 290 F N 2.167 122.136 119.950 0.032 0.000 2.095 290 F HA -0.285 4.242 4.527 -0.000 0.000 0.298 290 F C 2.663 178.455 175.800 -0.013 0.000 1.104 290 F CA 1.995 59.992 58.000 -0.006 0.000 1.232 290 F CB -0.473 38.551 39.000 0.039 0.000 0.987 290 F HN 0.505 nan 8.300 nan 0.000 0.475 291 H N -1.440 117.762 119.070 0.220 0.000 2.387 291 H HA -0.129 4.427 4.556 -0.000 0.000 0.299 291 H C 2.260 177.672 175.328 0.139 0.000 1.090 291 H CA 1.437 57.573 56.048 0.148 0.000 1.332 291 H CB -0.975 28.862 29.762 0.123 0.000 1.386 291 H HN 0.178 nan 8.280 nan 0.000 0.516 292 S N 0.571 115.810 115.700 -0.768 0.000 2.382 292 S HA -0.137 4.333 4.470 -0.000 0.000 0.228 292 S C 2.146 176.845 174.600 0.164 0.000 1.027 292 S CA 1.103 59.152 58.200 -0.251 0.000 0.991 292 S CB -0.778 62.294 63.200 -0.213 0.000 0.823 292 S HN 0.294 nan 8.310 nan 0.000 0.469 293 V N 1.926 121.817 119.914 -0.038 0.000 2.323 293 V HA 0.004 4.124 4.120 -0.000 0.000 0.244 293 V C 2.577 178.679 176.094 0.013 0.000 1.041 293 V CA 1.483 63.689 62.300 -0.157 0.000 1.025 293 V CB -0.842 30.603 31.823 -0.631 0.000 0.656 293 V HN 0.428 nan 8.190 nan 0.000 0.451 294 L N 0.395 121.610 121.223 -0.014 0.000 2.083 294 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 294 L C 2.720 179.630 176.870 0.066 0.000 1.083 294 L CA 1.459 56.321 54.840 0.036 0.000 0.752 294 L CB -0.758 41.345 42.059 0.073 0.000 0.899 294 L HN 0.373 nan 8.230 nan 0.000 0.433 295 A N -0.453 122.401 122.820 0.056 0.000 1.986 295 A HA -0.255 4.065 4.320 -0.000 0.000 0.220 295 A C 1.742 179.225 177.584 -0.168 0.000 1.171 295 A CA 1.928 53.929 52.037 -0.060 0.000 0.640 295 A CB -0.753 18.167 19.000 -0.133 0.000 0.811 295 A HN 0.549 nan 8.150 nan 0.000 0.451 296 H N -1.200 117.943 119.070 0.121 0.000 2.575 296 H HA 0.547 5.103 4.556 -0.000 0.000 0.267 296 H C 0.916 176.316 175.328 0.120 0.000 0.966 296 H CA 0.181 56.316 56.048 0.144 0.000 1.165 296 H CB 0.104 30.030 29.762 0.275 0.000 1.433 296 H HN 0.502 nan 8.280 nan 0.000 0.544 297 A N 0.927 123.853 122.820 0.177 0.000 2.401 297 A HA 0.235 4.555 4.320 -0.000 0.000 0.259 297 A C 1.428 179.094 177.584 0.137 0.000 1.103 297 A CA -0.339 51.786 52.037 0.145 0.000 0.789 297 A CB 0.436 19.486 19.000 0.083 0.000 1.035 297 A HN 0.482 nan 8.150 nan 0.000 0.491 298 R N 1.051 121.656 120.500 0.176 0.000 2.210 298 R HA 0.387 4.727 4.340 -0.000 0.000 0.203 298 R C 0.412 176.856 176.300 0.240 0.000 1.010 298 R CA 1.270 57.478 56.100 0.180 0.000 1.008 298 R CB 0.063 30.431 30.300 0.112 0.000 0.923 298 R HN 0.928 nan 8.270 nan 0.000 0.469 299 A N -1.090 121.880 122.820 0.251 0.000 2.599 299 A HA 0.541 4.861 4.320 -0.000 0.000 0.290 299 A C -1.771 175.854 177.584 0.069 0.000 1.101 299 A CA -0.704 51.428 52.037 0.159 0.000 0.674 299 A CB 1.376 20.465 19.000 0.148 0.000 1.277 299 A HN 0.204 nan 8.150 nan 0.000 0.419 300 C N 1.024 120.346 119.300 0.037 0.000 2.535 300 C HA 0.767 5.227 4.460 -0.000 0.000 0.319 300 C C -1.607 173.389 174.990 0.009 0.000 1.171 300 C CA -0.560 58.456 59.018 -0.004 0.000 1.394 300 C CB 0.531 28.270 27.740 -0.000 0.000 1.990 300 C HN 1.199 nan 8.230 nan 0.000 0.466 301 L N 5.745 126.973 121.223 0.010 0.000 2.280 301 L HA 0.813 5.153 4.340 -0.000 0.000 0.287 301 L C 0.079 177.020 176.870 0.117 0.000 1.023 301 L CA 0.897 55.781 54.840 0.074 0.000 0.819 301 L CB 1.223 43.338 42.059 0.094 0.000 1.212 301 L HN 0.944 nan 8.230 nan 0.000 0.420 302 T N 2.116 116.737 114.554 0.112 0.000 2.792 302 T HA 0.312 4.661 4.350 -0.000 0.000 0.303 302 T C 0.758 175.532 174.700 0.125 0.000 1.310 302 T CA -0.000 62.190 62.100 0.150 0.000 1.007 302 T CB 0.614 69.549 68.868 0.111 0.000 1.335 302 T HN 0.755 nan 8.240 nan 0.000 0.504 303 H N 0.692 119.749 119.070 -0.022 0.000 2.389 303 H HA 0.187 4.743 4.556 -0.000 0.000 0.299 303 H C 1.486 176.803 175.328 -0.018 0.000 1.081 303 H CA 1.598 57.625 56.048 -0.035 0.000 1.345 303 H CB -0.647 29.090 29.762 -0.041 0.000 1.393 303 H HN 1.203 nan 8.280 nan 0.000 0.520 304 G N 1.160 109.712 108.800 -0.413 0.000 2.141 304 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.195 304 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.195 304 G C 0.470 175.228 174.900 -0.237 0.000 1.012 304 G CA 0.464 45.413 45.100 -0.252 0.000 0.696 304 G HN 0.926 nan 8.290 nan 0.000 0.508 305 T N -2.343 111.977 114.554 -0.390 0.000 2.795 305 T HA 0.450 4.800 4.350 -0.000 0.000 0.314 305 T C 1.762 176.358 174.700 -0.173 0.000 1.069 305 T CA 1.007 62.984 62.100 -0.206 0.000 1.071 305 T CB 0.930 69.700 68.868 -0.164 0.000 0.988 305 T HN 0.302 nan 8.240 nan 0.000 0.543 306 T N 1.959 116.449 114.554 -0.106 0.000 2.635 306 T HA -0.057 4.293 4.350 -0.000 0.000 0.267 306 T C 2.317 176.942 174.700 -0.125 0.000 1.040 306 T CA 1.727 63.776 62.100 -0.086 0.000 1.156 306 T CB -1.189 67.639 68.868 -0.066 0.000 0.863 306 T HN 0.863 nan 8.240 nan 0.000 0.430 307 G N 1.333 110.078 108.800 -0.092 0.000 2.491 307 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.218 307 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.218 307 G C 1.871 176.696 174.900 -0.125 0.000 1.180 307 G CA 1.182 46.242 45.100 -0.068 0.000 0.774 307 G HN 0.614 nan 8.290 nan 0.000 0.562 308 A N -0.245 122.471 122.820 -0.173 0.000 1.908 308 A HA 0.048 4.368 4.320 -0.000 0.000 0.218 308 A C 2.643 180.082 177.584 -0.242 0.000 1.181 308 A CA 2.039 53.968 52.037 -0.181 0.000 0.627 308 A CB -0.709 18.126 19.000 -0.275 0.000 0.818 308 A HN 0.305 nan 8.150 nan 0.000 0.445 309 V N 0.058 119.766 119.914 -0.343 0.000 2.307 309 V HA -0.216 3.904 4.120 -0.000 0.000 0.245 309 V C 2.546 178.184 176.094 -0.759 0.000 1.045 309 V CA 1.869 63.812 62.300 -0.595 0.000 1.024 309 V CB -0.636 30.888 31.823 -0.500 0.000 0.651 309 V HN 0.574 nan 8.190 nan 0.000 0.449 310 L N -0.544 120.413 121.223 -0.444 0.000 2.141 310 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 310 L C 2.669 179.471 176.870 -0.114 0.000 1.094 310 L CA 1.225 55.916 54.840 -0.248 0.000 0.763 310 L CB -0.638 41.333 42.059 -0.146 0.000 0.908 310 L HN 0.355 nan 8.230 nan 0.000 0.437 311 E N 0.402 120.541 120.200 -0.102 0.000 2.110 311 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 311 E C 2.293 178.900 176.600 0.011 0.000 0.988 311 E CA 1.371 57.769 56.400 -0.002 0.000 0.804 311 E CB -0.050 29.668 29.700 0.030 0.000 0.745 311 E HN 0.483 nan 8.360 nan 0.000 0.458 312 A N 0.975 123.742 122.820 -0.089 0.000 1.873 312 A HA -0.139 4.181 4.320 -0.000 0.000 0.215 312 A C 1.937 179.563 177.584 0.070 0.000 1.186 312 A CA 1.068 53.073 52.037 -0.052 0.000 0.616 312 A CB -0.706 18.191 19.000 -0.171 0.000 0.823 312 A HN 0.122 nan 8.150 nan 0.000 0.442 313 F N 0.388 120.328 119.950 -0.017 0.000 2.216 313 F HA -0.039 4.487 4.527 -0.000 0.000 0.300 313 F C 2.768 178.564 175.800 -0.008 0.000 1.085 313 F CA 0.153 58.137 58.000 -0.026 0.000 1.326 313 F CB -1.209 37.742 39.000 -0.081 0.000 1.027 313 F HN 0.269 nan 8.300 nan 0.000 0.497 314 A N -0.155 122.767 122.820 0.171 0.000 2.024 314 A HA 0.032 4.352 4.320 -0.000 0.000 0.220 314 A C 2.230 179.877 177.584 0.104 0.000 1.164 314 A CA 1.649 53.755 52.037 0.114 0.000 0.643 314 A CB -0.959 18.095 19.000 0.090 0.000 0.806 314 A HN 0.257 nan 8.150 nan 0.000 0.451 315 A N -1.848 121.040 122.820 0.113 0.000 2.387 315 A HA 0.459 4.779 4.320 -0.000 0.000 0.234 315 A C 1.549 179.189 177.584 0.094 0.000 1.253 315 A CA 0.936 53.030 52.037 0.095 0.000 0.894 315 A CB -0.848 18.208 19.000 0.095 0.000 0.963 315 A HN 1.840 nan 8.150 nan 0.000 0.508 316 G N -0.654 108.218 108.800 0.121 0.000 2.221 316 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.265 316 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.265 316 G C -0.027 174.954 174.900 0.135 0.000 1.041 316 G CA 0.360 45.527 45.100 0.113 0.000 0.807 316 G HN 0.847 nan 8.290 nan 0.000 0.502 317 V N 2.022 122.045 119.914 0.183 0.000 2.370 317 V HA 0.500 4.620 4.120 -0.000 0.000 0.283 317 V C -1.321 174.915 176.094 0.237 0.000 1.023 317 V CA -1.629 60.771 62.300 0.166 0.000 0.857 317 V CB 1.850 33.743 31.823 0.118 0.000 0.985 317 V HN 0.234 nan 8.190 nan 0.000 0.443 318 P HA 0.349 nan 4.420 nan 0.000 0.274 318 P C -0.950 176.466 177.300 0.193 0.000 1.237 318 P CA -0.291 62.954 63.100 0.242 0.000 0.793 318 P CB 1.197 32.998 31.700 0.169 0.000 0.977 319 L N 0.738 122.086 121.223 0.209 0.000 2.342 319 L HA 0.518 4.858 4.340 -0.000 0.000 0.271 319 L C -0.308 176.628 176.870 0.110 0.000 1.008 319 L CA -1.181 53.733 54.840 0.123 0.000 0.818 319 L CB 2.194 44.302 42.059 0.082 0.000 1.296 319 L HN 0.047 nan 8.230 nan 0.000 0.427 320 V N 4.033 123.995 119.914 0.081 0.000 2.409 320 V HA 0.438 4.558 4.120 -0.000 0.000 0.291 320 V C -0.045 176.097 176.094 0.081 0.000 1.020 320 V CA -0.446 61.904 62.300 0.084 0.000 0.848 320 V CB 1.807 33.679 31.823 0.082 0.000 0.990 320 V HN 0.491 nan 8.190 nan 0.000 0.430 321 L N 5.250 126.520 121.223 0.078 0.000 2.334 321 L HA 0.664 5.004 4.340 -0.000 0.000 0.275 321 L C -0.140 176.771 176.870 0.068 0.000 1.036 321 L CA -0.876 54.001 54.840 0.062 0.000 0.807 321 L CB 1.994 44.083 42.059 0.051 0.000 1.231 321 L HN 0.579 nan 8.230 nan 0.000 0.438 322 V N -0.283 119.658 119.914 0.046 0.000 2.320 322 V HA 0.264 4.383 4.120 -0.000 0.000 0.257 322 V C -1.985 174.047 176.094 -0.102 0.000 0.996 322 V CA -1.089 61.208 62.300 -0.005 0.000 0.928 322 V CB 0.405 32.205 31.823 -0.039 0.000 1.169 322 V HN 0.612 nan 8.190 nan 0.000 0.475 323 P HA -0.110 nan 4.420 nan 0.000 0.234 323 P C 1.231 178.491 177.300 -0.066 0.000 1.167 323 P CA 1.463 64.550 63.100 -0.021 0.000 0.763 323 P CB -0.058 31.654 31.700 0.021 0.000 0.835 324 H N -2.834 116.117 119.070 -0.199 0.000 2.491 324 H HA 0.018 4.574 4.556 -0.000 0.000 0.290 324 H C 1.281 176.443 175.328 -0.277 0.000 1.050 324 H CA 0.597 56.486 56.048 -0.266 0.000 1.309 324 H CB -1.286 28.252 29.762 -0.374 0.000 1.392 324 H HN -0.013 nan 8.280 nan 0.000 0.554 325 F N 1.496 121.071 119.950 -0.626 0.000 2.407 325 F HA 0.283 4.809 4.527 -0.000 0.000 0.299 325 F C 1.242 176.941 175.800 -0.169 0.000 1.097 325 F CA 0.548 58.271 58.000 -0.461 0.000 1.422 325 F CB 0.010 38.578 39.000 -0.721 0.000 1.067 325 F HN 0.353 nan 8.300 nan 0.000 0.539 326 A N -0.417 122.447 122.820 0.074 0.000 2.335 326 A HA 0.473 4.793 4.320 -0.000 0.000 0.304 326 A C 1.041 178.674 177.584 0.081 0.000 1.118 326 A CA 0.027 52.137 52.037 0.122 0.000 0.757 326 A CB 0.392 19.550 19.000 0.264 0.000 1.188 326 A HN 0.202 nan 8.150 nan 0.000 0.460 327 T N -0.798 113.803 114.554 0.079 0.000 2.821 327 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 327 T C 1.286 176.026 174.700 0.068 0.000 1.046 327 T CA 1.614 63.756 62.100 0.069 0.000 1.139 327 T CB -0.177 68.735 68.868 0.074 0.000 0.871 327 T HN 0.659 nan 8.240 nan 0.000 0.454 328 E N 1.541 121.784 120.200 0.072 0.000 2.274 328 E HA 0.008 4.358 4.350 -0.000 0.000 0.194 328 E C 2.242 178.857 176.600 0.024 0.000 0.996 328 E CA 0.842 57.274 56.400 0.052 0.000 0.840 328 E CB -0.384 29.347 29.700 0.051 0.000 0.772 328 E HN 0.681 nan 8.360 nan 0.000 0.491 329 A N 1.063 123.902 122.820 0.033 0.000 2.067 329 A HA 0.004 4.324 4.320 -0.000 0.000 0.219 329 A C 2.349 179.947 177.584 0.024 0.000 1.158 329 A CA 1.347 53.390 52.037 0.009 0.000 0.661 329 A CB -0.478 18.526 19.000 0.006 0.000 0.801 329 A HN 0.370 nan 8.150 nan 0.000 0.452 330 A N 0.954 123.795 122.820 0.035 0.000 1.859 330 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 330 A C 0.298 177.921 177.584 0.063 0.000 1.209 330 A CA 2.124 54.188 52.037 0.046 0.000 0.639 330 A CB -1.821 17.206 19.000 0.045 0.000 0.835 330 A HN 0.453 nan 8.150 nan 0.000 0.450 331 P HA -0.122 nan 4.420 nan 0.000 0.216 331 P C 1.959 179.357 177.300 0.164 0.000 1.153 331 P CA 1.815 64.989 63.100 0.122 0.000 0.848 331 P CB -0.128 31.620 31.700 0.079 0.000 0.787 332 S N -0.744 115.010 115.700 0.090 0.000 2.355 332 S HA -0.153 4.317 4.470 -0.000 0.000 0.222 332 S C 2.007 176.750 174.600 0.239 0.000 1.031 332 S CA 1.406 59.725 58.200 0.198 0.000 0.993 332 S CB -1.131 62.135 63.200 0.111 0.000 0.859 332 S HN 0.053 nan 8.310 nan 0.000 0.453 333 A N 1.155 124.055 122.820 0.133 0.000 1.883 333 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 333 A C 1.970 179.630 177.584 0.126 0.000 1.186 333 A CA 1.955 54.062 52.037 0.117 0.000 0.624 333 A CB -0.994 18.047 19.000 0.068 0.000 0.822 333 A HN 0.730 nan 8.150 nan 0.000 0.444 334 E N -1.154 119.110 120.200 0.106 0.000 2.085 334 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 334 E C 2.308 178.946 176.600 0.063 0.000 0.994 334 E CA 1.461 57.908 56.400 0.080 0.000 0.801 334 E CB -0.132 29.615 29.700 0.077 0.000 0.743 334 E HN 0.473 nan 8.360 nan 0.000 0.453 335 R N 0.708 121.252 120.500 0.072 0.000 2.075 335 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 335 R C 2.087 178.437 176.300 0.084 0.000 1.126 335 R CA 0.943 57.013 56.100 -0.049 0.000 0.963 335 R CB -0.646 29.499 30.300 -0.259 0.000 0.858 335 R HN 0.028 nan 8.270 nan 0.000 0.435 336 V N 0.821 120.907 119.914 0.286 0.000 2.287 336 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 336 V C 2.193 178.403 176.094 0.193 0.000 1.053 336 V CA 1.714 64.234 62.300 0.367 0.000 1.027 336 V CB -0.484 31.573 31.823 0.391 0.000 0.646 336 V HN 0.251 nan 8.190 nan 0.000 0.447 337 I N -0.035 120.611 120.570 0.128 0.000 2.202 337 I HA -0.201 3.969 4.170 -0.000 0.000 0.242 337 I C 2.533 178.673 176.117 0.038 0.000 1.091 337 I CA 1.683 63.029 61.300 0.077 0.000 1.368 337 I CB -1.315 36.721 38.000 0.060 0.000 1.058 337 I HN 0.508 nan 8.210 nan 0.000 0.410 338 E N 1.157 121.364 120.200 0.013 0.000 2.097 338 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 338 E C 2.106 178.677 176.600 -0.047 0.000 1.000 338 E CA 1.262 57.641 56.400 -0.036 0.000 0.804 338 E CB -0.080 29.569 29.700 -0.085 0.000 0.740 338 E HN 0.462 nan 8.360 nan 0.000 0.454 339 L N -0.273 120.934 121.223 -0.028 0.000 2.591 339 L HA 0.177 4.517 4.340 -0.000 0.000 0.228 339 L C 1.234 178.091 176.870 -0.022 0.000 1.133 339 L CA 0.271 55.088 54.840 -0.038 0.000 0.880 339 L CB 0.004 42.051 42.059 -0.020 0.000 1.033 339 L HN 0.392 nan 8.230 nan 0.000 0.450 340 G N 0.921 109.724 108.800 0.007 0.000 2.295 340 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.287 340 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.287 340 G C 0.519 175.429 174.900 0.017 0.000 1.055 340 G CA 0.247 45.356 45.100 0.014 0.000 0.922 340 G HN 0.398 nan 8.290 nan 0.000 0.503 341 L N -0.690 120.563 121.223 0.049 0.000 2.640 341 L HA 0.532 4.872 4.340 -0.000 0.000 0.230 341 L C 1.432 178.422 176.870 0.199 0.000 1.123 341 L CA 0.483 55.344 54.840 0.034 0.000 0.900 341 L CB 0.205 42.191 42.059 -0.121 0.000 1.146 341 L HN 0.633 nan 8.230 nan 0.000 0.484 342 G N -0.741 108.162 108.800 0.171 0.000 2.342 342 G HA2 0.422 4.382 3.960 -0.000 0.000 0.297 342 G HA3 0.422 4.382 3.960 -0.000 0.000 0.297 342 G C -1.483 173.489 174.900 0.121 0.000 1.313 342 G CA 0.092 45.295 45.100 0.171 0.000 0.830 342 G HN -0.033 nan 8.290 nan 0.000 0.506 343 S N -2.211 113.553 115.700 0.106 0.000 2.709 343 S HA 0.851 5.321 4.470 -0.000 0.000 0.302 343 S C -1.210 173.438 174.600 0.080 0.000 1.127 343 S CA -0.563 57.687 58.200 0.083 0.000 0.905 343 S CB 1.796 65.039 63.200 0.072 0.000 1.151 343 S HN 1.939 nan 8.310 nan 0.000 0.510 344 V N 1.115 121.069 119.914 0.067 0.000 2.735 344 V HA 0.624 4.744 4.120 -0.000 0.000 0.310 344 V C -1.524 174.605 176.094 0.058 0.000 1.061 344 V CA -1.098 61.240 62.300 0.063 0.000 0.913 344 V CB 1.491 33.347 31.823 0.055 0.000 1.005 344 V HN 0.928 nan 8.190 nan 0.000 0.428 345 L N 7.125 128.389 121.223 0.069 0.000 2.287 345 L HA 0.637 4.977 4.340 -0.000 0.000 0.287 345 L C 0.144 177.040 176.870 0.045 0.000 1.022 345 L CA -0.818 54.062 54.840 0.066 0.000 0.814 345 L CB 1.426 43.552 42.059 0.111 0.000 1.217 345 L HN 0.622 nan 8.230 nan 0.000 0.420 346 R N 3.579 124.077 120.500 -0.003 0.000 2.615 346 R HA 0.185 4.525 4.340 -0.000 0.000 0.270 346 R C -1.665 174.534 176.300 -0.168 0.000 1.081 346 R CA -2.232 53.823 56.100 -0.075 0.000 1.154 346 R CB 0.068 30.328 30.300 -0.066 0.000 1.063 346 R HN 0.296 nan 8.270 nan 0.000 0.519 347 P HA -0.100 nan 4.420 nan 0.000 0.228 347 P C 0.310 177.468 177.300 -0.237 0.000 1.151 347 P CA 1.112 63.879 63.100 -0.555 0.000 0.770 347 P CB 0.146 31.372 31.700 -0.791 0.000 0.786 348 D N -1.239 119.070 120.400 -0.152 0.000 2.328 348 D HA -0.057 4.583 4.640 -0.000 0.000 0.221 348 D C 0.586 176.861 176.300 -0.043 0.000 1.072 348 D CA 0.315 54.266 54.000 -0.082 0.000 0.850 348 D CB -0.213 40.545 40.800 -0.068 0.000 0.922 348 D HN 0.259 nan 8.370 nan 0.000 0.516 349 Q N 0.448 120.229 119.800 -0.031 0.000 2.182 349 Q HA 0.337 4.677 4.340 -0.000 0.000 0.305 349 Q C 0.829 176.851 176.000 0.037 0.000 0.880 349 Q CA -0.093 55.710 55.803 0.001 0.000 1.131 349 Q CB 0.977 29.718 28.738 0.005 0.000 1.237 349 Q HN 0.199 nan 8.270 nan 0.000 0.447 350 L N 1.227 122.480 121.223 0.050 0.000 2.769 350 L HA 0.134 4.474 4.340 -0.000 0.000 0.240 350 L C 0.698 177.607 176.870 0.064 0.000 1.163 350 L CA -0.152 54.760 54.840 0.119 0.000 0.962 350 L CB 0.173 42.359 42.059 0.211 0.000 1.258 350 L HN 0.309 nan 8.230 nan 0.000 0.513 351 E N 0.530 120.740 120.200 0.016 0.000 2.415 351 E HA 0.027 4.377 4.350 -0.000 0.000 0.262 351 E C -2.104 174.463 176.600 -0.056 0.000 1.038 351 E CA -1.472 54.917 56.400 -0.017 0.000 0.921 351 E CB 0.636 30.322 29.700 -0.023 0.000 0.950 351 E HN -0.073 nan 8.360 nan 0.000 0.438 352 P HA -0.236 nan 4.420 nan 0.000 0.215 352 P C 1.343 178.526 177.300 -0.194 0.000 1.163 352 P CA 2.778 65.784 63.100 -0.156 0.000 0.894 352 P CB -0.056 31.559 31.700 -0.142 0.000 0.791 353 A N -0.821 121.915 122.820 -0.140 0.000 1.940 353 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 353 A C 2.513 180.026 177.584 -0.119 0.000 1.176 353 A CA 2.279 54.234 52.037 -0.136 0.000 0.631 353 A CB -1.643 17.306 19.000 -0.086 0.000 0.814 353 A HN 0.253 nan 8.150 nan 0.000 0.446 354 S N -0.383 115.267 115.700 -0.083 0.000 2.368 354 S HA -0.102 4.368 4.470 -0.000 0.000 0.224 354 S C 1.919 176.487 174.600 -0.053 0.000 1.029 354 S CA 1.277 59.447 58.200 -0.051 0.000 0.988 354 S CB -0.535 62.652 63.200 -0.022 0.000 0.838 354 S HN 0.491 nan 8.310 nan 0.000 0.462 355 I N 1.355 121.881 120.570 -0.073 0.000 2.163 355 I HA -0.198 3.971 4.170 -0.000 0.000 0.243 355 I C 2.857 178.888 176.117 -0.143 0.000 1.085 355 I CA 1.689 62.953 61.300 -0.060 0.000 1.347 355 I CB -0.426 37.527 38.000 -0.078 0.000 1.044 355 I HN 0.338 nan 8.210 nan 0.000 0.408 356 R N 1.120 121.407 120.500 -0.354 0.000 2.080 356 R HA -0.253 4.087 4.340 -0.000 0.000 0.236 356 R C 2.306 178.508 176.300 -0.163 0.000 1.137 356 R CA 2.113 57.916 56.100 -0.495 0.000 0.943 356 R CB -0.301 29.636 30.300 -0.606 0.000 0.846 356 R HN 0.377 nan 8.270 nan 0.000 0.431 357 E N -0.282 119.856 120.200 -0.103 0.000 2.058 357 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 357 E C 1.783 178.392 176.600 0.016 0.000 0.997 357 E CA 1.432 57.818 56.400 -0.023 0.000 0.801 357 E CB -0.157 29.530 29.700 -0.022 0.000 0.746 357 E HN 0.510 nan 8.360 nan 0.000 0.450 358 A N 0.390 123.217 122.820 0.013 0.000 1.902 358 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 358 A C 2.411 180.030 177.584 0.059 0.000 1.181 358 A CA 1.451 53.512 52.037 0.041 0.000 0.623 358 A CB -0.628 18.399 19.000 0.045 0.000 0.818 358 A HN 0.237 nan 8.150 nan 0.000 0.443 359 V N 0.232 120.178 119.914 0.053 0.000 2.307 359 V HA -0.246 3.873 4.120 -0.000 0.000 0.245 359 V C 2.443 178.593 176.094 0.094 0.000 1.045 359 V CA 2.220 64.541 62.300 0.034 0.000 1.024 359 V CB -0.795 31.014 31.823 -0.022 0.000 0.651 359 V HN 0.624 nan 8.190 nan 0.000 0.449 360 E N -0.113 120.171 120.200 0.141 0.000 2.077 360 E HA -0.266 4.084 4.350 -0.000 0.000 0.193 360 E C 2.389 179.106 176.600 0.196 0.000 0.989 360 E CA 1.316 57.875 56.400 0.265 0.000 0.800 360 E CB -0.201 29.656 29.700 0.262 0.000 0.746 360 E HN 0.454 nan 8.360 nan 0.000 0.452 361 R N 0.934 121.510 120.500 0.127 0.000 2.073 361 R HA -0.169 4.171 4.340 -0.000 0.000 0.234 361 R C 2.487 178.851 176.300 0.107 0.000 1.134 361 R CA 1.112 57.273 56.100 0.101 0.000 0.952 361 R CB -0.285 30.058 30.300 0.072 0.000 0.850 361 R HN 0.142 nan 8.270 nan 0.000 0.433 362 L N 0.328 121.618 121.223 0.111 0.000 2.017 362 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 362 L C 2.286 179.238 176.870 0.137 0.000 1.073 362 L CA 2.124 57.031 54.840 0.111 0.000 0.745 362 L CB -0.511 41.611 42.059 0.105 0.000 0.894 362 L HN 0.256 nan 8.230 nan 0.000 0.432 363 A N -0.502 122.432 122.820 0.191 0.000 2.019 363 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 363 A C 2.239 179.926 177.584 0.173 0.000 1.164 363 A CA 1.527 53.705 52.037 0.235 0.000 0.644 363 A CB -0.962 18.300 19.000 0.438 0.000 0.805 363 A HN 0.580 nan 8.150 nan 0.000 0.449 364 A N -1.013 121.899 122.820 0.153 0.000 2.275 364 A HA 0.155 4.475 4.320 -0.000 0.000 0.212 364 A C 0.681 178.313 177.584 0.080 0.000 1.201 364 A CA 0.312 52.415 52.037 0.109 0.000 0.843 364 A CB -0.115 18.951 19.000 0.108 0.000 0.873 364 A HN 0.349 nan 8.150 nan 0.000 0.492 365 D N 0.653 121.102 120.400 0.081 0.000 2.393 365 D HA 0.173 4.813 4.640 -0.000 0.000 0.232 365 D C 1.341 177.671 176.300 0.050 0.000 1.192 365 D CA 0.644 54.680 54.000 0.060 0.000 0.882 365 D CB 1.015 41.852 40.800 0.061 0.000 1.038 365 D HN 0.270 nan 8.370 nan 0.000 0.499 366 S N 2.961 118.684 115.700 0.038 0.000 2.428 366 S HA -0.112 4.358 4.470 -0.000 0.000 0.230 366 S C 1.999 176.610 174.600 0.019 0.000 1.014 366 S CA 0.667 58.884 58.200 0.029 0.000 0.957 366 S CB -0.041 63.173 63.200 0.022 0.000 0.784 366 S HN 0.431 nan 8.310 nan 0.000 0.499 367 A N 1.899 124.729 122.820 0.016 0.000 1.858 367 A HA 0.034 4.354 4.320 -0.000 0.000 0.216 367 A C 2.424 180.010 177.584 0.003 0.000 1.190 367 A CA 1.764 53.805 52.037 0.006 0.000 0.617 367 A CB -1.270 17.733 19.000 0.005 0.000 0.827 367 A HN 0.437 nan 8.150 nan 0.000 0.443 368 V N 0.024 119.947 119.914 0.016 0.000 2.332 368 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 368 V C 2.672 178.774 176.094 0.012 0.000 1.055 368 V CA 2.438 64.748 62.300 0.017 0.000 1.038 368 V CB -0.837 31.013 31.823 0.046 0.000 0.651 368 V HN 0.683 nan 8.190 nan 0.000 0.450 369 R N 0.106 120.622 120.500 0.026 0.000 2.073 369 R HA -0.226 4.114 4.340 -0.000 0.000 0.234 369 R C 2.340 178.642 176.300 0.003 0.000 1.134 369 R CA 1.981 58.098 56.100 0.028 0.000 0.952 369 R CB -0.268 30.055 30.300 0.038 0.000 0.850 369 R HN 0.480 nan 8.270 nan 0.000 0.433 370 E N 0.562 120.759 120.200 -0.004 0.000 2.106 370 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 370 E C 1.890 178.467 176.600 -0.039 0.000 0.984 370 E CA 1.486 57.877 56.400 -0.016 0.000 0.806 370 E CB 0.002 29.694 29.700 -0.013 0.000 0.750 370 E HN 0.314 nan 8.360 nan 0.000 0.458 371 R N -0.490 119.980 120.500 -0.050 0.000 2.081 371 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 371 R C 2.405 178.621 176.300 -0.141 0.000 1.131 371 R CA 1.476 57.524 56.100 -0.086 0.000 0.960 371 R CB -0.447 29.803 30.300 -0.084 0.000 0.856 371 R HN 0.104 nan 8.270 nan 0.000 0.436 372 V N 0.777 120.607 119.914 -0.140 0.000 2.427 372 V HA -0.215 3.904 4.120 -0.000 0.000 0.248 372 V C 2.214 178.244 176.094 -0.106 0.000 1.051 372 V CA 1.664 63.845 62.300 -0.200 0.000 1.048 372 V CB -0.429 31.347 31.823 -0.077 0.000 0.666 372 V HN 0.262 nan 8.190 nan 0.000 0.456 373 R N 0.153 120.624 120.500 -0.048 0.000 2.092 373 R HA -0.071 4.269 4.340 -0.000 0.000 0.231 373 R C 1.509 177.789 176.300 -0.034 0.000 1.119 373 R CA 0.700 56.787 56.100 -0.021 0.000 0.970 373 R CB -0.248 30.047 30.300 -0.007 0.000 0.864 373 R HN 0.654 nan 8.270 nan 0.000 0.440 377 R N 1.106 121.610 120.500 0.007 0.000 2.083 377 R HA -0.156 4.184 4.340 -0.000 0.000 0.237 377 R C 1.547 177.853 176.300 0.011 0.000 1.137 377 R CA 1.907 58.012 56.100 0.008 0.000 0.951 377 R CB -0.285 30.014 30.300 -0.002 0.000 0.851 377 R HN 0.310 nan 8.270 nan 0.000 0.434 378 D N 0.737 121.139 120.400 0.003 0.000 2.103 378 D HA -0.168 4.472 4.640 -0.000 0.000 0.190 378 D C 1.826 178.145 176.300 0.033 0.000 0.997 378 D CA 1.407 55.413 54.000 0.010 0.000 0.833 378 D CB -0.161 40.638 40.800 -0.002 0.000 0.961 378 D HN 0.122 nan 8.370 nan 0.000 0.447 379 I N -0.117 120.479 120.570 0.042 0.000 2.118 379 I HA -0.286 3.884 4.170 -0.000 0.000 0.241 379 I C 2.468 178.619 176.117 0.057 0.000 1.070 379 I CA 0.708 62.044 61.300 0.061 0.000 1.327 379 I CB -0.337 37.707 38.000 0.072 0.000 1.034 379 I HN 0.140 nan 8.210 nan 0.000 0.405 380 L N 0.936 122.188 121.223 0.047 0.000 2.043 380 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 380 L C 2.610 179.505 176.870 0.041 0.000 1.075 380 L CA 2.402 57.268 54.840 0.043 0.000 0.752 380 L CB -0.703 41.377 42.059 0.036 0.000 0.891 380 L HN 0.396 nan 8.230 nan 0.000 0.432 381 S N -2.987 112.735 115.700 0.037 0.000 2.603 381 S HA 0.012 4.482 4.470 -0.000 0.000 0.220 381 S C 1.858 176.485 174.600 0.045 0.000 0.967 381 S CA 0.595 58.816 58.200 0.035 0.000 0.920 381 S CB -0.294 62.922 63.200 0.026 0.000 0.773 381 S HN 0.387 nan 8.310 nan 0.000 0.529 382 S N 1.201 116.935 115.700 0.057 0.000 2.383 382 S HA 0.267 4.737 4.470 -0.000 0.000 0.227 382 S C 1.822 176.462 174.600 0.067 0.000 1.026 382 S CA 1.249 59.493 58.200 0.073 0.000 0.981 382 S CB -0.447 62.808 63.200 0.092 0.000 0.818 382 S HN 1.002 nan 8.310 nan 0.000 0.472 383 G N -0.120 108.716 108.800 0.060 0.000 2.428 383 G HA2 0.135 4.095 3.960 -0.000 0.000 0.199 383 G HA3 0.135 4.095 3.960 -0.000 0.000 0.199 383 G C 0.673 175.607 174.900 0.057 0.000 1.005 383 G CA 0.063 45.194 45.100 0.052 0.000 0.671 383 G HN 1.323 nan 8.290 nan 0.000 0.485 384 G N 0.808 109.651 108.800 0.071 0.000 2.641 384 G HA2 0.025 3.984 3.960 -0.000 0.000 0.254 384 G HA3 0.025 3.984 3.960 -0.000 0.000 0.254 384 G C -0.750 174.206 174.900 0.094 0.000 1.315 384 G CA 0.721 45.873 45.100 0.087 0.000 0.907 384 G HN 0.785 nan 8.290 nan 0.000 0.572 385 P HA 0.001 nan 4.420 nan 0.000 0.216 385 P C 2.262 179.612 177.300 0.083 0.000 1.150 385 P CA 3.060 66.222 63.100 0.104 0.000 0.837 385 P CB -0.258 31.481 31.700 0.065 0.000 0.786 386 A N 0.071 122.929 122.820 0.062 0.000 1.908 386 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 386 A C 2.447 180.064 177.584 0.055 0.000 1.181 386 A CA 1.792 53.863 52.037 0.056 0.000 0.627 386 A CB -1.208 17.818 19.000 0.044 0.000 0.818 386 A HN 0.049 nan 8.150 nan 0.000 0.445 387 R N -0.482 120.047 120.500 0.049 0.000 2.075 387 R HA -0.046 4.294 4.340 -0.000 0.000 0.232 387 R C 2.324 178.639 176.300 0.026 0.000 1.126 387 R CA 1.322 57.444 56.100 0.037 0.000 0.963 387 R CB -0.430 29.890 30.300 0.032 0.000 0.858 387 R HN 0.425 nan 8.270 nan 0.000 0.435 388 A N 0.925 123.763 122.820 0.030 0.000 1.908 388 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 388 A C 2.339 179.949 177.584 0.043 0.000 1.181 388 A CA 1.896 53.939 52.037 0.010 0.000 0.627 388 A CB -0.724 18.313 19.000 0.062 0.000 0.818 388 A HN 0.550 nan 8.150 nan 0.000 0.445 389 A N -0.265 122.603 122.820 0.079 0.000 1.930 389 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 389 A C 1.765 179.396 177.584 0.078 0.000 1.175 389 A CA 1.693 53.788 52.037 0.097 0.000 0.627 389 A CB -0.495 18.575 19.000 0.117 0.000 0.815 389 A HN 0.465 nan 8.150 nan 0.000 0.443 390 D N 0.017 120.454 120.400 0.062 0.000 2.117 390 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 390 D C 1.883 178.209 176.300 0.044 0.000 0.987 390 D CA 1.202 55.235 54.000 0.054 0.000 0.829 390 D CB -0.256 40.571 40.800 0.045 0.000 0.961 390 D HN 0.430 nan 8.370 nan 0.000 0.460 391 E N 0.604 120.816 120.200 0.022 0.000 2.051 391 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 391 E C 2.513 179.125 176.600 0.021 0.000 0.991 391 E CA 0.374 56.773 56.400 -0.002 0.000 0.799 391 E CB -0.458 29.206 29.700 -0.061 0.000 0.748 391 E HN 0.147 nan 8.360 nan 0.000 0.449 392 V N 1.881 121.805 119.914 0.017 0.000 2.252 392 V HA -0.281 3.839 4.120 -0.000 0.000 0.249 392 V C 2.242 178.383 176.094 0.079 0.000 1.056 392 V CA 2.160 64.489 62.300 0.047 0.000 1.022 392 V CB -0.550 31.293 31.823 0.033 0.000 0.641 392 V HN 0.284 nan 8.190 nan 0.000 0.445 393 E N -0.039 120.197 120.200 0.061 0.000 2.110 393 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 393 E C 2.283 178.918 176.600 0.058 0.000 0.988 393 E CA 1.229 57.663 56.400 0.055 0.000 0.804 393 E CB -0.313 29.443 29.700 0.094 0.000 0.745 393 E HN 0.630 nan 8.360 nan 0.000 0.458 394 A N 1.046 123.909 122.820 0.072 0.000 1.855 394 A HA -0.216 4.103 4.320 -0.000 0.000 0.215 394 A C 2.046 179.687 177.584 0.095 0.000 1.191 394 A CA 1.353 53.432 52.037 0.070 0.000 0.613 394 A CB -0.932 18.107 19.000 0.065 0.000 0.829 394 A HN 0.352 nan 8.150 nan 0.000 0.442 395 Y N 0.637 120.918 120.300 -0.032 0.000 2.062 395 Y HA -0.276 4.274 4.550 -0.000 0.000 0.276 395 Y C 2.030 177.907 175.900 -0.039 0.000 1.189 395 Y CA 2.053 60.126 58.100 -0.044 0.000 1.130 395 Y CB -0.623 37.797 38.460 -0.068 0.000 0.959 395 Y HN 0.228 nan 8.280 nan 0.000 0.499 396 L N -0.675 120.507 121.223 -0.069 0.000 2.127 396 L HA -0.211 4.129 4.340 -0.000 0.000 0.211 396 L C 2.705 179.506 176.870 -0.115 0.000 1.089 396 L CA 1.268 56.015 54.840 -0.155 0.000 0.757 396 L CB -1.152 40.855 42.059 -0.086 0.000 0.899 396 L HN 0.433 nan 8.230 nan 0.000 0.434 397 G N -0.266 108.505 108.800 -0.050 0.000 2.446 397 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 397 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 397 G C 1.735 176.605 174.900 -0.050 0.000 1.168 397 G CA 0.541 45.623 45.100 -0.030 0.000 0.771 397 G HN 0.303 nan 8.290 nan 0.000 0.551 398 R N -0.104 120.358 120.500 -0.063 0.000 2.062 398 R HA -0.010 4.330 4.340 -0.000 0.000 0.229 398 R C 2.654 178.887 176.300 -0.111 0.000 1.128 398 R CA 1.599 57.662 56.100 -0.062 0.000 0.960 398 R CB -0.528 29.759 30.300 -0.021 0.000 0.855 398 R HN 0.454 nan 8.270 nan 0.000 0.432 399 V N -2.717 117.064 119.914 -0.221 0.000 3.541 399 V HA 0.372 4.492 4.120 -0.000 0.000 0.267 399 V C 0.702 176.694 176.094 -0.169 0.000 1.213 399 V CA 0.598 62.760 62.300 -0.230 0.000 1.149 399 V CB 0.336 31.920 31.823 -0.398 0.000 0.822 399 V HN 0.176 nan 8.190 nan 0.000 0.462 400 A N 1.369 124.101 122.820 -0.146 0.000 3.127 400 A HA 0.802 5.122 4.320 -0.000 0.000 0.319 400 A C -2.616 174.931 177.584 -0.061 0.000 1.104 400 A CA -0.944 51.035 52.037 -0.097 0.000 0.802 400 A CB 0.268 19.204 19.000 -0.106 0.000 1.193 400 A HN 0.423 nan 8.150 nan 0.000 0.479 401 P HA 0.000 nan 4.420 nan 0.000 0.216 401 P CA 0.000 63.085 63.100 -0.026 0.000 0.800 401 P CB 0.000 31.687 31.700 -0.021 0.000 0.726