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 2q9c_1_A DATA FIRST_RESID 1 DATA SEQUENCE MGFFDRLKAG LAKTRERLLK AIPWGGNLEE VLEELEMALL AADVGLSATE DATA SEQUENCE EILQEVRASG RKDLKEAVKE KLVGMLEPDE RRATLRKLGF NPQKPKPVEP DATA SEQUENCE KGRVVLVVGV NGVGKTTTIA KLGRYYQNLG KKVMFCAGDT FRAAGGTQLS DATA SEQUENCE EWGKRLSIPV IQGPEGTDPA ALAYDAVQAM KARGYDLLFV DTAGRLHTKH DATA SEQUENCE NLMEELKKVK RAIAKADPEE PKEVWLVLDA VTGQNGLEQA KKFHEAVGLT DATA SEQUENCE GVIVTKLDGT AKGGVLIPIV RTLKVPIKFV GVGEGPDDLQ PFDPEAFVEA DATA SEQUENCE LLED 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.253 176.300 -0.078 0.000 1.140 1 M CA 0.000 55.310 55.300 0.017 0.000 0.988 1 M CB 0.000 32.603 32.600 0.005 0.000 1.302 2 G N 1.575 110.357 108.800 -0.031 0.000 3.181 2 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.322 2 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.322 2 G C 0.555 175.484 174.900 0.048 0.000 1.246 2 G CA 1.823 46.936 45.100 0.021 0.000 0.989 2 G HN 1.222 nan 8.290 nan 0.000 0.607 3 F N -0.019 119.993 119.950 0.102 0.000 2.367 3 F HA 0.492 5.019 4.527 -0.000 0.000 0.298 3 F C 2.120 178.014 175.800 0.157 0.000 1.094 3 F CA 1.327 59.390 58.000 0.105 0.000 1.409 3 F CB -0.682 38.377 39.000 0.097 0.000 1.064 3 F HN 0.261 nan 8.300 nan 0.000 0.528 4 F N 2.357 121.599 119.950 -1.179 0.000 2.202 4 F HA -0.134 4.393 4.527 -0.000 0.000 0.301 4 F C 1.932 177.542 175.800 -0.315 0.000 1.082 4 F CA 1.398 58.869 58.000 -0.883 0.000 1.313 4 F CB -0.776 37.737 39.000 -0.812 0.000 1.024 4 F HN 0.033 nan 8.300 nan 0.000 0.495 5 D N -0.282 119.995 120.400 -0.204 0.000 2.103 5 D HA -0.126 4.514 4.640 -0.000 0.000 0.199 5 D C 2.341 178.568 176.300 -0.122 0.000 0.978 5 D CA 0.996 54.886 54.000 -0.183 0.000 0.829 5 D CB -0.280 40.467 40.800 -0.089 0.000 0.981 5 D HN 0.214 nan 8.370 nan 0.000 0.464 6 R N 0.299 120.783 120.500 -0.026 0.000 2.159 6 R HA -0.088 4.252 4.340 -0.000 0.000 0.237 6 R C 2.116 178.431 176.300 0.026 0.000 1.131 6 R CA 0.380 56.495 56.100 0.025 0.000 0.982 6 R CB -0.363 29.992 30.300 0.092 0.000 0.868 6 R HN 0.127 nan 8.270 nan 0.000 0.453 7 L N 0.774 122.013 121.223 0.026 0.000 2.068 7 L HA -0.041 4.299 4.340 -0.000 0.000 0.204 7 L C 1.509 178.327 176.870 -0.087 0.000 1.076 7 L CA 1.794 56.665 54.840 0.052 0.000 0.753 7 L CB -0.181 41.986 42.059 0.180 0.000 0.910 7 L HN -0.050 nan 8.230 nan 0.000 0.439 8 K N -0.524 119.725 120.400 -0.252 0.000 2.097 8 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 8 K C 2.041 178.545 176.600 -0.161 0.000 1.049 8 K CA 1.248 57.362 56.287 -0.287 0.000 0.933 8 K CB -0.298 31.942 32.500 -0.432 0.000 0.717 8 K HN 0.473 nan 8.250 nan 0.000 0.442 9 A N 1.012 123.762 122.820 -0.117 0.000 1.898 9 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 9 A C 2.394 179.955 177.584 -0.039 0.000 1.181 9 A CA 1.805 53.801 52.037 -0.068 0.000 0.620 9 A CB -1.052 17.920 19.000 -0.048 0.000 0.819 9 A HN 0.419 nan 8.150 nan 0.000 0.442 10 G N -0.581 108.208 108.800 -0.017 0.000 2.448 10 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.219 10 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.219 10 G C 1.267 176.172 174.900 0.010 0.000 1.127 10 G CA 0.921 46.030 45.100 0.014 0.000 0.766 10 G HN 0.441 nan 8.290 nan 0.000 0.552 11 L N 0.508 121.713 121.223 -0.029 0.000 2.667 11 L HA 0.318 4.658 4.340 -0.000 0.000 0.232 11 L C 2.832 179.660 176.870 -0.069 0.000 1.138 11 L CA 0.140 54.945 54.840 -0.058 0.000 0.921 11 L CB 0.231 42.199 42.059 -0.151 0.000 1.180 11 L HN 0.232 nan 8.230 nan 0.000 0.487 12 A N 0.831 123.615 122.820 -0.059 0.000 1.883 12 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 12 A C 2.317 179.879 177.584 -0.037 0.000 1.186 12 A CA 1.663 53.667 52.037 -0.055 0.000 0.624 12 A CB -0.220 18.750 19.000 -0.049 0.000 0.822 12 A HN 0.316 nan 8.150 nan 0.000 0.444 13 K N -1.087 119.299 120.400 -0.024 0.000 2.097 13 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 13 K C 2.087 178.678 176.600 -0.015 0.000 1.049 13 K CA 1.746 58.024 56.287 -0.015 0.000 0.933 13 K CB -0.311 32.187 32.500 -0.005 0.000 0.717 13 K HN 0.523 nan 8.250 nan 0.000 0.442 14 T N 0.497 115.040 114.554 -0.017 0.000 2.770 14 T HA -0.101 4.249 4.350 -0.000 0.000 0.263 14 T C 1.820 176.503 174.700 -0.028 0.000 1.039 14 T CA 0.850 62.941 62.100 -0.015 0.000 1.142 14 T CB -0.061 68.799 68.868 -0.013 0.000 0.868 14 T HN 0.244 nan 8.240 nan 0.000 0.435 15 R N 1.089 121.561 120.500 -0.047 0.000 2.081 15 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 15 R C 1.534 177.815 176.300 -0.031 0.000 1.131 15 R CA 1.236 57.307 56.100 -0.047 0.000 0.960 15 R CB -0.051 30.207 30.300 -0.071 0.000 0.856 15 R HN 0.221 nan 8.270 nan 0.000 0.436 16 E N 0.359 120.540 120.200 -0.031 0.000 2.511 16 E HA -0.045 4.305 4.350 -0.000 0.000 0.196 16 E C 1.641 178.228 176.600 -0.022 0.000 1.066 16 E CA 0.218 56.602 56.400 -0.026 0.000 0.871 16 E CB 0.124 29.808 29.700 -0.026 0.000 0.863 16 E HN 0.357 nan 8.360 nan 0.000 0.520 17 R N -0.371 120.116 120.500 -0.021 0.000 2.052 17 R HA 0.131 4.471 4.340 -0.000 0.000 0.226 17 R C 1.839 178.123 176.300 -0.027 0.000 1.145 17 R CA 0.907 56.994 56.100 -0.021 0.000 0.952 17 R CB 0.186 30.476 30.300 -0.017 0.000 0.847 17 R HN 0.126 nan 8.270 nan 0.000 0.431 18 L N -1.396 119.809 121.223 -0.030 0.000 2.718 18 L HA 0.112 4.452 4.340 -0.000 0.000 0.247 18 L C 1.947 178.787 176.870 -0.050 0.000 1.028 18 L CA -0.045 54.767 54.840 -0.045 0.000 1.031 18 L CB -0.076 41.953 42.059 -0.051 0.000 1.910 18 L HN -0.005 nan 8.230 nan 0.000 0.526 19 L N 1.030 122.237 121.223 -0.028 0.000 1.991 19 L HA -0.336 4.004 4.340 -0.000 0.000 0.221 19 L C 2.533 179.424 176.870 0.035 0.000 1.079 19 L CA 2.055 56.896 54.840 0.003 0.000 0.778 19 L CB -0.559 41.513 42.059 0.021 0.000 0.893 19 L HN 0.264 nan 8.230 nan 0.000 0.437 20 K N -0.192 120.225 120.400 0.028 0.000 2.283 20 K HA -0.090 4.230 4.320 -0.000 0.000 0.202 20 K C 1.814 178.437 176.600 0.038 0.000 1.048 20 K CA 0.985 57.305 56.287 0.055 0.000 0.948 20 K CB 0.030 32.543 32.500 0.023 0.000 0.742 20 K HN 0.329 nan 8.250 nan 0.000 0.458 21 A N 0.908 123.717 122.820 -0.017 0.000 2.251 21 A HA 0.152 4.472 4.320 -0.000 0.000 0.209 21 A C 0.603 178.114 177.584 -0.121 0.000 1.187 21 A CA -0.218 51.791 52.037 -0.047 0.000 0.823 21 A CB -0.293 18.678 19.000 -0.048 0.000 0.846 21 A HN 0.217 nan 8.150 nan 0.000 0.486 22 I N 2.286 122.726 120.570 -0.216 0.000 2.828 22 I HA -0.010 4.160 4.170 -0.000 0.000 0.292 22 I C -1.675 174.120 176.117 -0.537 0.000 1.206 22 I CA -0.798 60.201 61.300 -0.502 0.000 1.420 22 I CB 0.628 38.067 38.000 -0.936 0.000 1.368 22 I HN 0.177 nan 8.210 nan 0.000 0.556 23 P HA -0.008 nan 4.420 nan 0.000 0.237 23 P C -0.062 177.142 177.300 -0.161 0.000 1.788 23 P CA -0.252 62.730 63.100 -0.198 0.000 1.061 23 P CB -0.367 31.257 31.700 -0.127 0.000 1.967 24 W N 1.810 123.106 121.300 -0.005 0.000 2.908 24 W HA 0.041 4.701 4.660 -0.000 0.000 0.250 24 W C 1.845 178.362 176.519 -0.003 0.000 1.284 24 W CA 0.455 57.798 57.345 -0.004 0.000 1.352 24 W CB -0.561 28.897 29.460 -0.004 0.000 1.133 24 W HN 0.295 nan 8.180 nan 0.000 0.684 25 G N -0.224 108.663 108.800 0.144 0.000 2.720 25 G HA2 0.179 4.139 3.960 -0.000 0.000 0.204 25 G HA3 0.179 4.139 3.960 -0.000 0.000 0.204 25 G C 1.123 176.055 174.900 0.055 0.000 1.113 25 G CA 0.197 45.354 45.100 0.095 0.000 0.805 25 G HN 0.260 nan 8.290 nan 0.000 0.536 26 G N 0.190 109.004 108.800 0.024 0.000 2.661 26 G HA2 0.147 4.107 3.960 -0.000 0.000 0.272 26 G HA3 0.147 4.107 3.960 -0.000 0.000 0.272 26 G C -0.116 174.793 174.900 0.016 0.000 1.296 26 G CA -0.456 44.648 45.100 0.007 0.000 0.998 26 G HN 0.224 nan 8.290 nan 0.000 0.553 27 N N -0.011 118.694 118.700 0.007 0.000 2.475 27 N HA 0.041 4.781 4.740 -0.000 0.000 0.267 27 N C 2.019 177.535 175.510 0.010 0.000 1.169 27 N CA -0.221 52.836 53.050 0.012 0.000 0.947 27 N CB 0.838 39.330 38.487 0.007 0.000 1.061 27 N HN 0.432 nan 8.380 nan 0.000 0.466 28 L N 2.291 123.528 121.223 0.024 0.000 2.173 28 L HA -0.379 3.961 4.340 -0.000 0.000 0.239 28 L C 2.169 179.042 176.870 0.005 0.000 1.123 28 L CA 2.061 56.917 54.840 0.026 0.000 0.847 28 L CB -0.663 41.416 42.059 0.033 0.000 0.940 28 L HN 0.620 nan 8.230 nan 0.000 0.450 29 E N 0.029 120.230 120.200 0.002 0.000 2.164 29 E HA -0.317 4.033 4.350 -0.000 0.000 0.206 29 E C 1.920 178.508 176.600 -0.021 0.000 1.032 29 E CA 2.300 58.696 56.400 -0.006 0.000 0.832 29 E CB -0.151 29.547 29.700 -0.005 0.000 0.742 29 E HN 0.558 nan 8.360 nan 0.000 0.460 30 E N -0.899 119.284 120.200 -0.028 0.000 2.033 30 E HA -0.110 4.240 4.350 -0.000 0.000 0.189 30 E C 2.110 178.662 176.600 -0.081 0.000 0.979 30 E CA 1.259 57.630 56.400 -0.049 0.000 0.802 30 E CB 0.064 29.737 29.700 -0.046 0.000 0.763 30 E HN 0.220 nan 8.360 nan 0.000 0.449 31 V N 1.956 121.819 119.914 -0.085 0.000 2.233 31 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 31 V C 2.602 178.604 176.094 -0.153 0.000 1.050 31 V CA 1.718 63.923 62.300 -0.159 0.000 1.010 31 V CB -0.656 31.110 31.823 -0.096 0.000 0.637 31 V HN 0.330 nan 8.190 nan 0.000 0.444 32 L N -0.078 121.108 121.223 -0.062 0.000 2.042 32 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 32 L C 2.665 179.504 176.870 -0.051 0.000 1.076 32 L CA 2.109 56.929 54.840 -0.034 0.000 0.749 32 L CB -0.747 41.316 42.059 0.006 0.000 0.893 32 L HN 0.488 nan 8.230 nan 0.000 0.432 33 E N 0.464 120.632 120.200 -0.053 0.000 2.038 33 E HA -0.258 4.092 4.350 -0.000 0.000 0.195 33 E C 1.970 178.527 176.600 -0.073 0.000 1.000 33 E CA 1.513 57.883 56.400 -0.050 0.000 0.803 33 E CB 0.079 29.753 29.700 -0.044 0.000 0.750 33 E HN 0.436 nan 8.360 nan 0.000 0.448 34 E N 0.919 121.051 120.200 -0.112 0.000 2.153 34 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 34 E C 2.145 178.652 176.600 -0.155 0.000 0.988 34 E CA 0.396 56.711 56.400 -0.142 0.000 0.811 34 E CB -0.342 29.240 29.700 -0.197 0.000 0.746 34 E HN 0.372 nan 8.360 nan 0.000 0.466 35 L N 1.230 122.351 121.223 -0.169 0.000 2.056 35 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 35 L C 2.231 179.072 176.870 -0.049 0.000 1.078 35 L CA 1.739 56.502 54.840 -0.128 0.000 0.749 35 L CB -0.420 41.585 42.059 -0.090 0.000 0.901 35 L HN 0.134 nan 8.230 nan 0.000 0.433 36 E N -0.365 119.813 120.200 -0.036 0.000 2.077 36 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 36 E C 2.273 178.863 176.600 -0.016 0.000 0.989 36 E CA 1.426 57.818 56.400 -0.013 0.000 0.800 36 E CB -0.005 29.690 29.700 -0.009 0.000 0.746 36 E HN 0.518 nan 8.360 nan 0.000 0.452 37 M N 0.034 119.616 119.600 -0.031 0.000 2.099 37 M HA -0.116 4.364 4.480 -0.000 0.000 0.262 37 M C 2.481 178.766 176.300 -0.026 0.000 1.067 37 M CA 1.413 56.696 55.300 -0.028 0.000 1.124 37 M CB -0.172 32.406 32.600 -0.037 0.000 1.353 37 M HN 0.157 nan 8.290 nan 0.000 0.410 38 A N 0.631 123.428 122.820 -0.039 0.000 1.908 38 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 38 A C 2.119 179.701 177.584 -0.004 0.000 1.181 38 A CA 1.515 53.534 52.037 -0.030 0.000 0.627 38 A CB -0.958 18.013 19.000 -0.048 0.000 0.818 38 A HN 0.453 nan 8.150 nan 0.000 0.445 39 L N -0.918 120.309 121.223 0.006 0.000 2.027 39 L HA -0.132 4.208 4.340 -0.000 0.000 0.206 39 L C 2.565 179.449 176.870 0.023 0.000 1.074 39 L CA 1.006 55.861 54.840 0.026 0.000 0.745 39 L CB -0.517 41.564 42.059 0.035 0.000 0.898 39 L HN 0.359 nan 8.230 nan 0.000 0.433 40 L N -0.322 120.910 121.223 0.014 0.000 2.083 40 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 40 L C 2.743 179.619 176.870 0.011 0.000 1.083 40 L CA 1.064 55.911 54.840 0.013 0.000 0.752 40 L CB -0.628 41.435 42.059 0.006 0.000 0.899 40 L HN 0.250 nan 8.230 nan 0.000 0.433 41 A N -0.346 122.477 122.820 0.005 0.000 2.066 41 A HA 0.057 4.377 4.320 -0.000 0.000 0.218 41 A C 2.237 179.827 177.584 0.010 0.000 1.157 41 A CA 1.258 53.297 52.037 0.003 0.000 0.670 41 A CB -0.365 18.631 19.000 -0.005 0.000 0.804 41 A HN 0.367 nan 8.150 nan 0.000 0.453 42 A N -1.697 121.133 122.820 0.017 0.000 2.275 42 A HA 0.373 4.693 4.320 -0.000 0.000 0.212 42 A C 0.619 178.227 177.584 0.040 0.000 1.201 42 A CA 0.882 52.936 52.037 0.028 0.000 0.843 42 A CB -0.169 18.851 19.000 0.033 0.000 0.873 42 A HN 0.375 nan 8.150 nan 0.000 0.492 43 D N -2.829 117.590 120.400 0.032 0.000 3.091 43 D HA -0.143 4.497 4.640 -0.000 0.000 0.216 43 D C 0.736 177.060 176.300 0.040 0.000 1.129 43 D CA 0.908 54.928 54.000 0.033 0.000 0.913 43 D CB -1.693 39.127 40.800 0.033 0.000 1.101 43 D HN 0.160 nan 8.370 nan 0.000 0.426 44 V N -0.507 119.434 119.914 0.046 0.000 2.759 44 V HA 0.148 4.268 4.120 -0.000 0.000 0.256 44 V C 1.624 177.741 176.094 0.039 0.000 1.080 44 V CA 1.578 63.909 62.300 0.052 0.000 1.101 44 V CB -0.814 31.046 31.823 0.061 0.000 0.698 44 V HN 0.764 nan 8.190 nan 0.000 0.477 45 G N -1.091 107.728 108.800 0.031 0.000 2.721 45 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.686 45 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.686 45 G C 0.123 175.037 174.900 0.024 0.000 1.236 45 G CA -0.094 45.021 45.100 0.025 0.000 0.786 45 G HN 0.113 nan 8.290 nan 0.000 0.616 46 L N 1.376 122.611 121.223 0.020 0.000 1.994 46 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 46 L C 3.113 179.995 176.870 0.020 0.000 1.071 46 L CA 3.015 57.866 54.840 0.018 0.000 0.745 46 L CB -0.773 41.295 42.059 0.015 0.000 0.892 46 L HN 1.025 nan 8.230 nan 0.000 0.431 47 S N -0.136 115.576 115.700 0.020 0.000 2.377 47 S HA -0.296 4.174 4.470 -0.000 0.000 0.224 47 S C 2.060 176.675 174.600 0.025 0.000 1.042 47 S CA 1.986 60.199 58.200 0.021 0.000 1.086 47 S CB -0.383 62.829 63.200 0.021 0.000 0.995 47 S HN 0.577 nan 8.310 nan 0.000 0.428 48 A N -0.026 122.811 122.820 0.029 0.000 2.015 48 A HA 0.008 4.328 4.320 -0.000 0.000 0.219 48 A C 2.383 179.990 177.584 0.038 0.000 1.163 48 A CA 2.089 54.147 52.037 0.035 0.000 0.646 48 A CB -1.344 17.680 19.000 0.040 0.000 0.806 48 A HN 0.643 nan 8.150 nan 0.000 0.448 49 T N -0.315 114.260 114.554 0.035 0.000 2.770 49 T HA -0.085 4.265 4.350 -0.000 0.000 0.263 49 T C 1.717 176.436 174.700 0.032 0.000 1.039 49 T CA 1.456 63.577 62.100 0.036 0.000 1.142 49 T CB -0.192 68.694 68.868 0.029 0.000 0.868 49 T HN 0.627 nan 8.240 nan 0.000 0.435 50 E N 0.528 120.744 120.200 0.027 0.000 2.338 50 E HA -0.111 4.239 4.350 -0.000 0.000 0.197 50 E C 2.155 178.771 176.600 0.026 0.000 1.007 50 E CA 0.580 56.994 56.400 0.024 0.000 0.849 50 E CB 0.044 29.756 29.700 0.019 0.000 0.774 50 E HN 0.542 nan 8.360 nan 0.000 0.506 51 E N 0.540 120.758 120.200 0.029 0.000 2.122 51 E HA -0.108 4.242 4.350 -0.000 0.000 0.190 51 E C 2.009 178.630 176.600 0.035 0.000 0.977 51 E CA 0.292 56.710 56.400 0.030 0.000 0.820 51 E CB 0.150 29.868 29.700 0.030 0.000 0.770 51 E HN 0.194 nan 8.360 nan 0.000 0.462 52 I N 1.138 121.733 120.570 0.042 0.000 2.179 52 I HA -0.320 3.850 4.170 -0.000 0.000 0.242 52 I C 2.406 178.553 176.117 0.050 0.000 1.088 52 I CA 0.988 62.318 61.300 0.050 0.000 1.357 52 I CB -0.227 37.809 38.000 0.060 0.000 1.051 52 I HN 0.178 nan 8.210 nan 0.000 0.409 53 L N -0.009 121.241 121.223 0.044 0.000 2.013 53 L HA -0.298 4.042 4.340 -0.000 0.000 0.212 53 L C 2.724 179.616 176.870 0.036 0.000 1.073 53 L CA 1.637 56.501 54.840 0.041 0.000 0.753 53 L CB -0.768 41.310 42.059 0.031 0.000 0.890 53 L HN 0.332 nan 8.230 nan 0.000 0.432 54 Q N -0.115 119.704 119.800 0.031 0.000 2.014 54 Q HA -0.272 4.068 4.340 -0.000 0.000 0.207 54 Q C 2.158 178.175 176.000 0.029 0.000 0.993 54 Q CA 1.961 57.780 55.803 0.027 0.000 0.850 54 Q CB -0.274 28.479 28.738 0.024 0.000 0.916 54 Q HN 0.525 nan 8.270 nan 0.000 0.417 55 E N -0.177 120.042 120.200 0.032 0.000 2.114 55 E HA -0.219 4.131 4.350 -0.000 0.000 0.199 55 E C 2.024 178.645 176.600 0.034 0.000 1.008 55 E CA 1.708 58.127 56.400 0.031 0.000 0.810 55 E CB -0.009 29.712 29.700 0.035 0.000 0.739 55 E HN 0.170 nan 8.360 nan 0.000 0.456 56 V N 0.454 120.393 119.914 0.042 0.000 2.326 56 V HA -0.143 3.977 4.120 -0.000 0.000 0.238 56 V C 2.347 178.467 176.094 0.042 0.000 1.038 56 V CA 1.407 63.735 62.300 0.047 0.000 1.032 56 V CB -0.572 31.291 31.823 0.067 0.000 0.675 56 V HN 0.180 nan 8.190 nan 0.000 0.467 57 R N 0.745 121.270 120.500 0.041 0.000 2.132 57 R HA -0.263 4.077 4.340 -0.000 0.000 0.233 57 R C 2.293 178.609 176.300 0.028 0.000 1.125 57 R CA 2.428 58.549 56.100 0.034 0.000 0.914 57 R CB -0.794 29.524 30.300 0.029 0.000 0.845 57 R HN 0.437 nan 8.270 nan 0.000 0.431 58 A N 0.078 122.913 122.820 0.024 0.000 1.841 58 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 58 A C 2.137 179.733 177.584 0.020 0.000 1.199 58 A CA 2.050 54.099 52.037 0.020 0.000 0.621 58 A CB -0.884 18.128 19.000 0.019 0.000 0.835 58 A HN 0.566 nan 8.150 nan 0.000 0.445 59 S N -2.212 113.501 115.700 0.021 0.000 3.145 59 S HA 0.412 4.882 4.470 -0.000 0.000 0.174 59 S C 1.222 175.835 174.600 0.022 0.000 0.981 59 S CA 0.911 59.123 58.200 0.019 0.000 1.620 59 S CB -0.696 62.515 63.200 0.019 0.000 0.569 59 S HN 1.985 nan 8.310 nan 0.000 0.523 60 G N 2.159 110.972 108.800 0.022 0.000 2.395 60 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.292 60 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.292 60 G C 0.146 175.058 174.900 0.020 0.000 0.953 60 G CA 0.378 45.492 45.100 0.023 0.000 1.207 60 G HN 0.445 nan 8.290 nan 0.000 0.503 61 R N -0.211 120.297 120.500 0.014 0.000 2.586 61 R HA 0.154 4.494 4.340 -0.000 0.000 0.306 61 R C 1.490 177.793 176.300 0.006 0.000 1.079 61 R CA 0.680 56.787 56.100 0.012 0.000 1.083 61 R CB -0.025 30.282 30.300 0.011 0.000 1.306 61 R HN 0.861 nan 8.270 nan 0.000 0.567 62 K N -0.909 119.492 120.400 0.002 0.000 2.209 62 K HA 0.291 4.611 4.320 -0.000 0.000 0.252 62 K C -0.495 176.097 176.600 -0.012 0.000 1.062 62 K CA -0.789 55.494 56.287 -0.007 0.000 1.003 62 K CB 0.310 32.802 32.500 -0.013 0.000 1.495 62 K HN -0.241 nan 8.250 nan 0.000 0.641 63 D N 0.356 120.738 120.400 -0.029 0.000 2.417 63 D HA -0.047 4.593 4.640 -0.000 0.000 0.250 63 D C 0.987 177.255 176.300 -0.053 0.000 1.166 63 D CA -0.334 53.639 54.000 -0.044 0.000 0.881 63 D CB 0.728 41.484 40.800 -0.073 0.000 1.164 63 D HN 0.544 nan 8.370 nan 0.000 0.467 64 L N 5.145 126.354 121.223 -0.023 0.000 1.997 64 L HA -0.201 4.139 4.340 -0.000 0.000 0.216 64 L C 2.046 178.871 176.870 -0.075 0.000 1.074 64 L CA 2.031 56.884 54.840 0.021 0.000 0.763 64 L CB -0.762 41.372 42.059 0.125 0.000 0.890 64 L HN 0.645 nan 8.230 nan 0.000 0.434 65 K N -1.030 119.177 120.400 -0.322 0.000 2.002 65 K HA -0.184 4.136 4.320 -0.000 0.000 0.209 65 K C 1.975 178.346 176.600 -0.381 0.000 1.048 65 K CA 1.566 57.399 56.287 -0.757 0.000 0.930 65 K CB -0.121 31.749 32.500 -1.050 0.000 0.714 65 K HN 0.366 nan 8.250 nan 0.000 0.438 66 E N 0.398 120.449 120.200 -0.247 0.000 2.118 66 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 66 E C 1.932 178.481 176.600 -0.085 0.000 0.992 66 E CA 1.158 57.469 56.400 -0.148 0.000 0.804 66 E CB -0.293 29.342 29.700 -0.109 0.000 0.741 66 E HN 0.439 nan 8.360 nan 0.000 0.458 67 A N 1.095 123.877 122.820 -0.062 0.000 1.908 67 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 67 A C 2.646 180.231 177.584 0.002 0.000 1.181 67 A CA 1.681 53.708 52.037 -0.016 0.000 0.627 67 A CB -0.722 18.282 19.000 0.006 0.000 0.818 67 A HN 0.146 nan 8.150 nan 0.000 0.445 68 V N -0.016 119.900 119.914 0.003 0.000 2.261 68 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 68 V C 2.457 178.570 176.094 0.031 0.000 1.047 68 V CA 2.398 64.729 62.300 0.051 0.000 1.015 68 V CB -0.761 31.138 31.823 0.127 0.000 0.642 68 V HN 0.549 nan 8.190 nan 0.000 0.446 69 K N -0.062 120.327 120.400 -0.017 0.000 2.020 69 K HA -0.259 4.061 4.320 -0.000 0.000 0.212 69 K C 2.190 178.797 176.600 0.012 0.000 1.050 69 K CA 2.205 58.487 56.287 -0.007 0.000 0.929 69 K CB -0.298 32.172 32.500 -0.049 0.000 0.714 69 K HN 0.562 nan 8.250 nan 0.000 0.443 70 E N 0.492 120.692 120.200 -0.001 0.000 2.085 70 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 70 E C 1.989 178.605 176.600 0.027 0.000 0.994 70 E CA 1.041 57.447 56.400 0.009 0.000 0.801 70 E CB 0.089 29.789 29.700 -0.000 0.000 0.743 70 E HN 0.140 nan 8.360 nan 0.000 0.453 71 K N 0.757 121.177 120.400 0.032 0.000 2.026 71 K HA -0.112 4.208 4.320 -0.000 0.000 0.208 71 K C 2.261 178.897 176.600 0.059 0.000 1.048 71 K CA 0.895 57.209 56.287 0.044 0.000 0.929 71 K CB -0.592 31.936 32.500 0.046 0.000 0.713 71 K HN 0.203 nan 8.250 nan 0.000 0.439 72 L N 0.682 121.948 121.223 0.071 0.000 2.012 72 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 72 L C 2.446 179.383 176.870 0.111 0.000 1.073 72 L CA 0.933 55.832 54.840 0.099 0.000 0.748 72 L CB -0.628 41.499 42.059 0.113 0.000 0.891 72 L HN -0.106 nan 8.230 nan 0.000 0.431 73 V N 0.170 120.137 119.914 0.089 0.000 2.343 73 V HA -0.207 3.913 4.120 -0.000 0.000 0.247 73 V C 2.640 178.777 176.094 0.072 0.000 1.051 73 V CA 1.955 64.305 62.300 0.082 0.000 1.036 73 V CB -1.298 30.551 31.823 0.043 0.000 0.654 73 V HN 0.581 nan 8.190 nan 0.000 0.451 74 G N -0.440 108.395 108.800 0.057 0.000 2.442 74 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 74 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 74 G C 1.552 176.486 174.900 0.057 0.000 1.141 74 G CA 1.025 46.155 45.100 0.050 0.000 0.763 74 G HN 0.456 nan 8.290 nan 0.000 0.554 75 M N -0.236 119.404 119.600 0.067 0.000 2.476 75 M HA 0.184 4.664 4.480 -0.000 0.000 0.262 75 M C 2.031 178.375 176.300 0.073 0.000 1.079 75 M CA 0.740 56.079 55.300 0.065 0.000 1.104 75 M CB -0.086 32.555 32.600 0.069 0.000 1.409 75 M HN 0.147 nan 8.290 nan 0.000 0.467 76 L N -0.610 120.676 121.223 0.107 0.000 2.567 76 L HA 0.069 4.409 4.340 -0.000 0.000 0.225 76 L C 0.538 177.497 176.870 0.150 0.000 1.119 76 L CA 0.023 54.952 54.840 0.149 0.000 0.871 76 L CB 0.159 42.384 42.059 0.277 0.000 1.036 76 L HN 0.058 nan 8.230 nan 0.000 0.459 77 E N 0.458 120.716 120.200 0.096 0.000 2.101 77 E HA 0.221 4.571 4.350 -0.000 0.000 0.260 77 E C -1.909 174.722 176.600 0.051 0.000 0.897 77 E CA -2.292 54.154 56.400 0.076 0.000 0.744 77 E CB 1.209 30.942 29.700 0.056 0.000 1.140 77 E HN -0.099 nan 8.360 nan 0.000 0.419 78 P HA 0.054 nan 4.420 nan 0.000 0.224 78 P C -0.394 176.923 177.300 0.029 0.000 1.157 78 P CA 0.305 63.422 63.100 0.029 0.000 0.799 78 P CB 0.309 32.020 31.700 0.017 0.000 0.809 79 D N -0.181 120.237 120.400 0.030 0.000 2.295 79 D HA 0.005 4.645 4.640 -0.000 0.000 0.248 79 D C 1.210 177.524 176.300 0.022 0.000 1.154 79 D CA -0.289 53.726 54.000 0.026 0.000 0.857 79 D CB 0.781 41.596 40.800 0.025 0.000 1.117 79 D HN -0.029 nan 8.370 nan 0.000 0.468 80 E N 3.803 124.013 120.200 0.018 0.000 2.077 80 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 80 E C 1.644 178.249 176.600 0.008 0.000 0.989 80 E CA 0.570 56.979 56.400 0.015 0.000 0.800 80 E CB 0.236 29.943 29.700 0.013 0.000 0.746 80 E HN 0.427 nan 8.360 nan 0.000 0.452 81 R N 0.583 121.084 120.500 0.002 0.000 2.103 81 R HA -0.149 4.191 4.340 -0.000 0.000 0.234 81 R C 2.439 178.731 176.300 -0.013 0.000 1.132 81 R CA 1.799 57.892 56.100 -0.012 0.000 0.925 81 R CB -0.394 29.893 30.300 -0.020 0.000 0.842 81 R HN 0.216 nan 8.270 nan 0.000 0.430 82 R N -0.342 120.158 120.500 -0.001 0.000 2.105 82 R HA -0.106 4.234 4.340 -0.000 0.000 0.239 82 R C 2.253 178.575 176.300 0.037 0.000 1.135 82 R CA 1.330 57.441 56.100 0.017 0.000 0.967 82 R CB -0.342 29.977 30.300 0.032 0.000 0.861 82 R HN 0.265 nan 8.270 nan 0.000 0.442 83 A N 0.317 123.154 122.820 0.028 0.000 1.933 83 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 83 A C 2.142 179.742 177.584 0.028 0.000 1.175 83 A CA 1.789 53.845 52.037 0.031 0.000 0.628 83 A CB -0.583 18.433 19.000 0.027 0.000 0.814 83 A HN 0.243 nan 8.150 nan 0.000 0.444 84 T N 0.382 114.946 114.554 0.017 0.000 2.770 84 T HA -0.033 4.317 4.350 -0.000 0.000 0.263 84 T C 1.755 176.465 174.700 0.018 0.000 1.039 84 T CA 1.107 63.215 62.100 0.012 0.000 1.142 84 T CB -0.217 68.651 68.868 -0.000 0.000 0.868 84 T HN 0.204 nan 8.240 nan 0.000 0.435 85 L N 1.211 122.439 121.223 0.009 0.000 2.131 85 L HA -0.015 4.325 4.340 -0.000 0.000 0.210 85 L C 2.553 179.497 176.870 0.123 0.000 1.092 85 L CA 1.539 56.388 54.840 0.014 0.000 0.759 85 L CB -1.055 40.939 42.059 -0.109 0.000 0.903 85 L HN 0.268 nan 8.230 nan 0.000 0.435 86 R N 0.547 121.119 120.500 0.120 0.000 2.062 86 R HA -0.159 4.181 4.340 -0.000 0.000 0.231 86 R C 2.266 178.607 176.300 0.068 0.000 1.136 86 R CA 1.326 57.496 56.100 0.116 0.000 0.948 86 R CB 0.020 30.363 30.300 0.072 0.000 0.845 86 R HN 0.215 nan 8.270 nan 0.000 0.430 87 K N 0.272 120.699 120.400 0.045 0.000 2.209 87 K HA -0.103 4.217 4.320 -0.000 0.000 0.204 87 K C 1.795 178.413 176.600 0.030 0.000 1.048 87 K CA 0.942 57.246 56.287 0.028 0.000 0.940 87 K CB -0.020 32.492 32.500 0.020 0.000 0.729 87 K HN 0.286 nan 8.250 nan 0.000 0.451 88 L N -0.487 120.762 121.223 0.042 0.000 2.599 88 L HA 0.012 4.352 4.340 -0.000 0.000 0.230 88 L C 1.123 178.025 176.870 0.055 0.000 1.141 88 L CA 0.477 55.341 54.840 0.039 0.000 0.877 88 L CB 0.171 42.249 42.059 0.032 0.000 1.009 88 L HN 0.495 nan 8.230 nan 0.000 0.447 89 G N -0.548 108.291 108.800 0.065 0.000 2.211 89 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.201 89 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.201 89 G C 0.191 175.141 174.900 0.084 0.000 0.997 89 G CA -0.516 44.616 45.100 0.054 0.000 0.652 89 G HN 0.178 nan 8.290 nan 0.000 0.500 90 F N 2.193 122.128 119.950 -0.026 0.000 2.541 90 F HA 0.484 5.011 4.527 -0.000 0.000 0.378 90 F C 0.723 176.500 175.800 -0.038 0.000 1.068 90 F CA 0.920 58.903 58.000 -0.029 0.000 1.199 90 F CB 0.286 39.271 39.000 -0.026 0.000 1.091 90 F HN 0.158 nan 8.300 nan 0.000 0.555 91 N N 7.276 125.634 118.700 -0.569 0.000 2.926 91 N HA 0.149 4.889 4.740 -0.000 0.000 0.201 91 N C -2.803 172.423 175.510 -0.472 0.000 1.419 91 N CA -1.099 51.671 53.050 -0.467 0.000 0.838 91 N CB 0.456 38.806 38.487 -0.228 0.000 1.534 91 N HN 0.303 nan 8.380 nan 0.000 0.569 92 P HA 0.016 nan 4.420 nan 0.000 0.269 92 P C 0.968 178.125 177.300 -0.238 0.000 1.215 92 P CA -0.133 62.722 63.100 -0.408 0.000 0.780 92 P CB 0.990 32.435 31.700 -0.425 0.000 0.898 93 Q N 2.421 122.134 119.800 -0.147 0.000 2.012 93 Q HA -0.182 4.158 4.340 -0.000 0.000 0.211 93 Q C -0.070 175.925 176.000 -0.008 0.000 1.009 93 Q CA 1.681 57.433 55.803 -0.085 0.000 0.866 93 Q CB -0.711 28.000 28.738 -0.046 0.000 0.945 93 Q HN 0.539 nan 8.270 nan 0.000 0.414 94 K N 1.972 122.377 120.400 0.008 0.000 2.203 94 K HA 0.480 4.800 4.320 -0.000 0.000 0.251 94 K C -2.459 174.068 176.600 -0.121 0.000 0.944 94 K CA -2.402 53.904 56.287 0.032 0.000 0.829 94 K CB 1.587 34.105 32.500 0.030 0.000 1.125 94 K HN 0.108 nan 8.250 nan 0.000 0.430 95 P HA -0.112 nan 4.420 nan 0.000 0.265 95 P C -0.703 176.522 177.300 -0.125 0.000 1.187 95 P CA 0.104 63.081 63.100 -0.204 0.000 0.766 95 P CB 0.387 31.907 31.700 -0.300 0.000 0.820 96 K N 4.280 124.651 120.400 -0.048 0.000 2.494 96 K HA 0.113 4.433 4.320 -0.000 0.000 0.273 96 K C -2.149 174.458 176.600 0.012 0.000 0.970 96 K CA -1.253 55.048 56.287 0.023 0.000 0.963 96 K CB -0.857 31.706 32.500 0.106 0.000 0.913 96 K HN 0.336 nan 8.250 nan 0.000 0.502 97 P HA 0.054 nan 4.420 nan 0.000 0.276 97 P C -0.356 177.049 177.300 0.176 0.000 1.235 97 P CA -0.474 62.708 63.100 0.136 0.000 0.772 97 P CB 0.845 32.599 31.700 0.089 0.000 0.871 98 V N 4.560 124.605 119.914 0.217 0.000 2.450 98 V HA -0.004 4.116 4.120 -0.000 0.000 0.281 98 V C 0.991 177.389 176.094 0.507 0.000 1.019 98 V CA 0.494 62.935 62.300 0.236 0.000 1.062 98 V CB -0.523 31.309 31.823 0.015 0.000 0.979 98 V HN 0.488 nan 8.190 nan 0.000 0.477 99 E N 6.431 126.851 120.200 0.366 0.000 2.109 99 E HA 0.355 4.705 4.350 -0.000 0.000 0.278 99 E C -2.361 174.433 176.600 0.322 0.000 0.954 99 E CA -1.964 54.650 56.400 0.356 0.000 0.779 99 E CB 1.534 31.359 29.700 0.209 0.000 1.093 99 E HN 0.480 nan 8.360 nan 0.000 0.401 100 P HA -0.005 nan 4.420 nan 0.000 0.265 100 P C 0.750 178.088 177.300 0.063 0.000 1.193 100 P CA 0.061 63.246 63.100 0.143 0.000 0.765 100 P CB 0.831 32.441 31.700 -0.151 0.000 0.823 101 K N 1.577 122.016 120.400 0.064 0.000 2.209 101 K HA -0.036 4.284 4.320 -0.000 0.000 0.204 101 K C 0.958 177.547 176.600 -0.019 0.000 1.048 101 K CA 1.315 57.624 56.287 0.037 0.000 0.940 101 K CB -0.128 32.401 32.500 0.049 0.000 0.729 101 K HN 0.684 nan 8.250 nan 0.000 0.451 102 G N -1.009 107.745 108.800 -0.076 0.000 3.183 102 G HA2 0.259 4.219 3.960 -0.000 0.000 0.247 102 G HA3 0.259 4.219 3.960 -0.000 0.000 0.247 102 G C -0.098 174.705 174.900 -0.160 0.000 1.211 102 G CA -0.576 44.462 45.100 -0.103 0.000 0.835 102 G HN 0.031 nan 8.290 nan 0.000 0.604 103 R N -1.554 118.846 120.500 -0.167 0.000 2.254 103 R HA 0.282 4.622 4.340 -0.000 0.000 0.193 103 R C -0.095 176.039 176.300 -0.278 0.000 0.929 103 R CA 0.260 56.243 56.100 -0.194 0.000 1.038 103 R CB 0.649 30.872 30.300 -0.129 0.000 1.009 103 R HN 0.178 nan 8.270 nan 0.000 0.512 104 V N 1.703 121.453 119.914 -0.273 0.000 2.459 104 V HA 0.315 4.435 4.120 -0.000 0.000 0.295 104 V C -0.318 175.526 176.094 -0.416 0.000 1.029 104 V CA -0.782 61.327 62.300 -0.318 0.000 0.874 104 V CB 2.216 33.914 31.823 -0.209 0.000 0.985 104 V HN -0.204 nan 8.190 nan 0.000 0.438 105 V N 5.829 125.407 119.914 -0.559 0.000 2.350 105 V HA 0.389 4.509 4.120 -0.000 0.000 0.285 105 V C -0.391 175.486 176.094 -0.361 0.000 1.014 105 V CA -0.531 61.382 62.300 -0.644 0.000 0.831 105 V CB 1.541 32.757 31.823 -1.012 0.000 1.000 105 V HN 0.669 nan 8.190 nan 0.000 0.433 106 L N 7.113 128.180 121.223 -0.260 0.000 2.290 106 L HA 0.569 4.909 4.340 -0.000 0.000 0.284 106 L C -0.204 176.626 176.870 -0.068 0.000 1.078 106 L CA 0.376 55.146 54.840 -0.117 0.000 0.815 106 L CB 1.452 43.468 42.059 -0.072 0.000 1.162 106 L HN 0.435 nan 8.230 nan 0.000 0.435 107 V N 6.202 126.107 119.914 -0.015 0.000 2.435 107 V HA 0.694 4.814 4.120 -0.000 0.000 0.290 107 V C -0.077 175.995 176.094 -0.036 0.000 1.030 107 V CA -0.311 61.998 62.300 0.016 0.000 0.881 107 V CB 1.587 33.430 31.823 0.032 0.000 0.983 107 V HN 0.717 nan 8.190 nan 0.000 0.445 108 V N 1.636 121.493 119.914 -0.094 0.000 3.160 108 V HA 1.163 5.283 4.120 -0.000 0.000 0.310 108 V C -0.117 175.697 176.094 -0.467 0.000 1.181 108 V CA -0.095 62.070 62.300 -0.224 0.000 1.047 108 V CB 1.694 33.394 31.823 -0.204 0.000 1.068 108 V HN 1.618 nan 8.190 nan 0.000 0.441 109 G N -0.033 108.338 108.800 -0.715 0.000 2.333 109 G HA2 0.537 4.497 3.960 -0.000 0.000 0.330 109 G HA3 0.537 4.497 3.960 -0.000 0.000 0.330 109 G C -0.828 174.012 174.900 -0.101 0.000 1.465 109 G CA -0.015 44.681 45.100 -0.673 0.000 0.996 109 G HN 2.204 nan 8.290 nan 0.000 0.655 110 V N -0.425 119.532 119.914 0.071 0.000 2.924 110 V HA 0.497 4.617 4.120 -0.000 0.000 0.305 110 V C 1.118 177.244 176.094 0.053 0.000 1.073 110 V CA -0.387 62.002 62.300 0.148 0.000 1.098 110 V CB 1.303 33.218 31.823 0.155 0.000 1.000 110 V HN 0.952 nan 8.190 nan 0.000 0.484 111 N N 2.224 120.955 118.700 0.051 0.000 2.357 111 N HA 0.094 4.834 4.740 -0.000 0.000 0.257 111 N C 1.231 176.759 175.510 0.030 0.000 1.250 111 N CA 1.422 54.490 53.050 0.031 0.000 0.862 111 N CB 0.634 39.144 38.487 0.039 0.000 1.066 111 N HN 1.537 nan 8.380 nan 0.000 0.468 112 G N 1.470 110.281 108.800 0.019 0.000 2.195 112 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.246 112 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.246 112 G C 0.886 175.790 174.900 0.006 0.000 0.984 112 G CA 0.382 45.493 45.100 0.019 0.000 0.633 112 G HN 0.739 nan 8.290 nan 0.000 0.525 113 V N -1.350 118.559 119.914 -0.008 0.000 3.078 113 V HA 0.450 4.570 4.120 -0.000 0.000 0.265 113 V C 1.955 178.027 176.094 -0.036 0.000 1.122 113 V CA 1.606 63.891 62.300 -0.024 0.000 1.141 113 V CB -0.651 31.144 31.823 -0.047 0.000 0.735 113 V HN 2.336 nan 8.190 nan 0.000 0.498 114 G N 0.245 109.025 108.800 -0.033 0.000 2.173 114 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.174 114 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.174 114 G C 0.505 175.357 174.900 -0.080 0.000 1.025 114 G CA 0.267 45.339 45.100 -0.046 0.000 0.706 114 G HN 0.467 nan 8.290 nan 0.000 0.499 115 K N -0.502 119.852 120.400 -0.077 0.000 2.057 115 K HA -0.074 4.246 4.320 -0.000 0.000 0.207 115 K C 2.487 179.004 176.600 -0.138 0.000 1.049 115 K CA 1.749 57.972 56.287 -0.106 0.000 0.931 115 K CB -0.292 32.154 32.500 -0.090 0.000 0.714 115 K HN 0.319 nan 8.250 nan 0.000 0.440 116 T N 0.908 115.409 114.554 -0.089 0.000 2.674 116 T HA -0.128 4.222 4.350 -0.000 0.000 0.265 116 T C 2.045 176.635 174.700 -0.184 0.000 1.039 116 T CA 1.793 63.844 62.100 -0.081 0.000 1.150 116 T CB -0.294 68.607 68.868 0.056 0.000 0.864 116 T HN 0.258 nan 8.240 nan 0.000 0.427 117 T N 1.403 115.866 114.554 -0.152 0.000 2.746 117 T HA -0.104 4.246 4.350 -0.000 0.000 0.267 117 T C 2.222 176.684 174.700 -0.395 0.000 1.039 117 T CA 1.631 63.544 62.100 -0.312 0.000 1.142 117 T CB -0.575 68.217 68.868 -0.127 0.000 0.866 117 T HN 0.403 nan 8.240 nan 0.000 0.444 118 T N 2.020 116.399 114.554 -0.292 0.000 2.708 118 T HA -0.006 4.344 4.350 -0.000 0.000 0.266 118 T C 1.926 176.375 174.700 -0.419 0.000 1.037 118 T CA 1.010 62.922 62.100 -0.313 0.000 1.146 118 T CB -0.393 68.335 68.868 -0.233 0.000 0.865 118 T HN 0.327 nan 8.240 nan 0.000 0.435 119 I N 1.367 121.661 120.570 -0.460 0.000 2.163 119 I HA -0.229 3.941 4.170 -0.000 0.000 0.243 119 I C 2.913 178.630 176.117 -0.666 0.000 1.085 119 I CA 1.200 62.095 61.300 -0.675 0.000 1.347 119 I CB -0.516 37.054 38.000 -0.718 0.000 1.044 119 I HN 0.197 nan 8.210 nan 0.000 0.408 120 A N 0.863 123.338 122.820 -0.576 0.000 1.917 120 A HA -0.265 4.055 4.320 -0.000 0.000 0.219 120 A C 2.305 179.728 177.584 -0.267 0.000 1.182 120 A CA 1.942 53.759 52.037 -0.367 0.000 0.633 120 A CB -0.512 17.910 19.000 -0.964 0.000 0.819 120 A HN 0.379 nan 8.150 nan 0.000 0.448 121 K N -0.537 119.634 120.400 -0.382 0.000 2.097 121 K HA 0.049 4.369 4.320 -0.000 0.000 0.205 121 K C 1.838 178.305 176.600 -0.221 0.000 1.050 121 K CA 1.121 57.243 56.287 -0.276 0.000 0.938 121 K CB -0.323 31.997 32.500 -0.301 0.000 0.718 121 K HN 0.465 nan 8.250 nan 0.000 0.442 122 L N 0.260 121.281 121.223 -0.337 0.000 2.056 122 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 122 L C 2.571 179.484 176.870 0.071 0.000 1.078 122 L CA 1.357 56.023 54.840 -0.290 0.000 0.749 122 L CB -0.916 40.754 42.059 -0.650 0.000 0.901 122 L HN 0.337 nan 8.230 nan 0.000 0.433 123 G N -0.147 108.707 108.800 0.089 0.000 2.491 123 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.218 123 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.218 123 G C 1.700 176.732 174.900 0.221 0.000 1.180 123 G CA 0.935 46.234 45.100 0.332 0.000 0.774 123 G HN 0.255 nan 8.290 nan 0.000 0.562 124 R N -0.783 119.795 120.500 0.129 0.000 2.097 124 R HA -0.216 4.124 4.340 -0.000 0.000 0.236 124 R C 2.294 178.656 176.300 0.105 0.000 1.135 124 R CA 1.952 58.105 56.100 0.089 0.000 0.934 124 R CB -0.823 29.502 30.300 0.041 0.000 0.846 124 R HN 0.384 nan 8.270 nan 0.000 0.431 125 Y N 0.438 120.702 120.300 -0.059 0.000 2.062 125 Y HA -0.340 4.209 4.550 -0.000 0.000 0.276 125 Y C 1.930 177.751 175.900 -0.132 0.000 1.189 125 Y CA 2.253 60.271 58.100 -0.137 0.000 1.130 125 Y CB -0.728 37.556 38.460 -0.292 0.000 0.959 125 Y HN 0.203 nan 8.280 nan 0.000 0.499 126 Y N -0.070 120.320 120.300 0.151 0.000 2.314 126 Y HA -0.162 4.388 4.550 -0.000 0.000 0.293 126 Y C 2.707 178.620 175.900 0.023 0.000 1.129 126 Y CA 1.616 59.766 58.100 0.083 0.000 1.201 126 Y CB -0.677 37.964 38.460 0.302 0.000 0.999 126 Y HN 0.235 nan 8.280 nan 0.000 0.541 127 Q N -0.181 119.722 119.800 0.171 0.000 2.119 127 Q HA -0.169 4.171 4.340 -0.000 0.000 0.201 127 Q C 1.449 177.462 176.000 0.022 0.000 0.972 127 Q CA 1.146 57.003 55.803 0.089 0.000 0.847 127 Q CB -0.087 28.695 28.738 0.073 0.000 0.903 127 Q HN 0.421 nan 8.270 nan 0.000 0.433 128 N N 0.141 118.829 118.700 -0.020 0.000 2.550 128 N HA -0.033 4.707 4.740 -0.000 0.000 0.186 128 N C 0.734 176.188 175.510 -0.093 0.000 1.110 128 N CA 0.684 53.702 53.050 -0.053 0.000 0.912 128 N CB 0.243 38.693 38.487 -0.061 0.000 0.968 128 N HN 0.245 nan 8.380 nan 0.000 0.448 129 L N -1.061 120.096 121.223 -0.110 0.000 2.741 129 L HA 0.311 4.651 4.340 -0.000 0.000 0.237 129 L C 1.070 177.930 176.870 -0.017 0.000 1.178 129 L CA -0.159 54.622 54.840 -0.098 0.000 0.973 129 L CB -0.005 41.955 42.059 -0.164 0.000 1.255 129 L HN 0.043 nan 8.230 nan 0.000 0.498 130 G N 0.471 109.268 108.800 -0.004 0.000 2.143 130 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.248 130 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.248 130 G C 0.206 175.115 174.900 0.014 0.000 0.991 130 G CA -0.032 45.069 45.100 0.002 0.000 0.689 130 G HN 0.405 nan 8.290 nan 0.000 0.522 131 K N 0.090 120.525 120.400 0.058 0.000 2.174 131 K HA 0.410 4.730 4.320 -0.000 0.000 0.275 131 K C 0.270 176.881 176.600 0.020 0.000 1.015 131 K CA -0.620 55.699 56.287 0.054 0.000 0.933 131 K CB 1.432 34.008 32.500 0.127 0.000 1.025 131 K HN 0.131 nan 8.250 nan 0.000 0.463 132 K N 2.714 123.078 120.400 -0.061 0.000 2.310 132 K HA 0.127 4.447 4.320 -0.000 0.000 0.290 132 K C -0.879 175.750 176.600 0.048 0.000 1.077 132 K CA -0.329 55.858 56.287 -0.167 0.000 0.922 132 K CB 0.458 32.663 32.500 -0.492 0.000 1.057 132 K HN 0.296 nan 8.250 nan 0.000 0.479 133 V N 5.748 125.768 119.914 0.176 0.000 2.472 133 V HA 0.441 4.561 4.120 -0.000 0.000 0.290 133 V C -0.039 176.192 176.094 0.229 0.000 1.037 133 V CA -0.828 61.621 62.300 0.250 0.000 0.908 133 V CB 1.469 33.420 31.823 0.214 0.000 0.985 133 V HN 0.840 nan 8.190 nan 0.000 0.454 134 M N 4.472 124.150 119.600 0.130 0.000 2.530 134 M HA 0.651 5.131 4.480 -0.000 0.000 0.307 134 M C -1.955 174.453 176.300 0.181 0.000 1.161 134 M CA -0.342 54.901 55.300 -0.095 0.000 0.903 134 M CB 2.285 34.698 32.600 -0.312 0.000 1.711 134 M HN 0.572 nan 8.290 nan 0.000 0.451 135 F N 1.699 121.674 119.950 0.040 0.000 2.522 135 F HA 0.598 5.125 4.527 -0.000 0.000 0.324 135 F C -0.556 175.260 175.800 0.027 0.000 1.077 135 F CA -1.160 56.888 58.000 0.079 0.000 0.944 135 F CB 1.956 41.010 39.000 0.091 0.000 1.175 135 F HN 0.532 nan 8.300 nan 0.000 0.468 136 C N 2.729 122.165 119.300 0.226 0.000 2.340 136 C HA 0.742 5.202 4.460 -0.000 0.000 0.323 136 C C 0.231 175.280 174.990 0.099 0.000 1.260 136 C CA -0.340 58.750 59.018 0.120 0.000 1.464 136 C CB -0.109 27.671 27.740 0.067 0.000 2.156 136 C HN 0.865 nan 8.230 nan 0.000 0.476 137 A N 4.478 127.358 122.820 0.099 0.000 3.126 137 A HA 0.466 4.786 4.320 -0.000 0.000 0.268 137 A C 1.404 179.045 177.584 0.094 0.000 1.605 137 A CA 0.428 52.518 52.037 0.089 0.000 1.305 137 A CB -0.529 18.531 19.000 0.099 0.000 1.160 137 A HN 1.420 nan 8.150 nan 0.000 0.609 138 G N 0.040 108.889 108.800 0.081 0.000 2.509 138 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.218 138 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.218 138 G C 0.677 175.662 174.900 0.142 0.000 1.124 138 G CA 0.825 45.986 45.100 0.101 0.000 0.776 138 G HN 0.580 nan 8.290 nan 0.000 0.547 139 D N 0.727 121.194 120.400 0.111 0.000 3.168 139 D HA 0.079 4.719 4.640 -0.000 0.000 0.255 139 D C 2.231 178.697 176.300 0.277 0.000 1.314 139 D CA 0.361 54.439 54.000 0.130 0.000 0.900 139 D CB -0.233 40.582 40.800 0.025 0.000 1.072 139 D HN 0.178 nan 8.370 nan 0.000 0.487 140 T N -1.765 113.005 114.554 0.359 0.000 2.881 140 T HA -0.184 4.166 4.350 -0.000 0.000 0.270 140 T C 1.682 176.513 174.700 0.218 0.000 1.068 140 T CA 0.658 62.883 62.100 0.207 0.000 1.131 140 T CB -0.420 68.502 68.868 0.091 0.000 0.871 140 T HN 0.032 nan 8.240 nan 0.000 0.479 141 F N 2.138 122.101 119.950 0.023 0.000 2.036 141 F HA 0.158 4.685 4.527 0.000 0.000 0.303 141 F C 1.676 177.495 175.800 0.032 0.000 1.294 141 F CA 0.839 58.857 58.000 0.030 0.000 1.210 141 F CB -1.036 37.987 39.000 0.038 0.000 0.937 141 F HN 0.042 nan 8.300 nan 0.000 0.538 142 R N -0.254 120.425 120.500 0.299 0.000 2.340 142 R HA 0.477 4.817 4.340 -0.000 0.000 0.300 142 R C 0.439 176.806 176.300 0.112 0.000 1.069 142 R CA 0.600 56.796 56.100 0.160 0.000 0.984 142 R CB 0.838 31.215 30.300 0.129 0.000 1.003 142 R HN 0.420 nan 8.270 nan 0.000 0.459 143 A N 2.519 125.389 122.820 0.083 0.000 1.949 143 A HA 0.511 4.831 4.320 -0.000 0.000 0.200 143 A C 0.185 177.797 177.584 0.047 0.000 1.832 143 A CA 0.344 52.417 52.037 0.060 0.000 1.004 143 A CB -0.605 18.425 19.000 0.049 0.000 1.102 143 A HN 0.806 nan 8.150 nan 0.000 0.595 144 A N -0.056 122.789 122.820 0.042 0.000 1.797 144 A HA 0.360 4.679 4.320 -0.000 0.000 0.241 144 A C 1.904 179.504 177.584 0.027 0.000 1.262 144 A CA 1.380 53.437 52.037 0.034 0.000 0.738 144 A CB -1.731 17.293 19.000 0.039 0.000 1.189 144 A HN 2.734 nan 8.150 nan 0.000 0.272 145 G N 0.861 109.671 108.800 0.017 0.000 2.574 145 G HA2 0.357 4.317 3.960 -0.000 0.000 0.282 145 G HA3 0.357 4.317 3.960 -0.000 0.000 0.282 145 G C 1.142 176.047 174.900 0.009 0.000 1.257 145 G CA 1.349 46.454 45.100 0.008 0.000 0.956 145 G HN 3.221 nan 8.290 nan 0.000 0.560 146 G N -2.815 105.990 108.800 0.007 0.000 2.569 146 G HA2 0.262 4.222 3.960 -0.000 0.000 0.259 146 G HA3 0.262 4.222 3.960 -0.000 0.000 0.259 146 G C 0.106 174.994 174.900 -0.020 0.000 1.263 146 G CA 0.885 45.994 45.100 0.014 0.000 0.928 146 G HN 2.204 nan 8.290 nan 0.000 0.572 147 T N 2.139 116.686 114.554 -0.013 0.000 2.847 147 T HA 0.523 4.873 4.350 -0.000 0.000 0.291 147 T C 0.124 174.797 174.700 -0.044 0.000 0.998 147 T CA -0.537 61.485 62.100 -0.130 0.000 0.967 147 T CB 1.493 70.161 68.868 -0.333 0.000 0.954 147 T HN 0.623 nan 8.240 nan 0.000 0.441 148 Q N 1.971 121.743 119.800 -0.047 0.000 2.432 148 Q HA 0.113 4.453 4.340 -0.000 0.000 0.264 148 Q C 1.226 177.296 176.000 0.117 0.000 1.035 148 Q CA -0.379 55.447 55.803 0.039 0.000 0.908 148 Q CB 0.889 29.643 28.738 0.026 0.000 1.280 148 Q HN 0.501 nan 8.270 nan 0.000 0.455 149 L N 2.062 123.394 121.223 0.183 0.000 2.127 149 L HA -0.209 4.131 4.340 -0.000 0.000 0.211 149 L C 2.287 179.325 176.870 0.281 0.000 1.089 149 L CA 1.972 56.968 54.840 0.259 0.000 0.757 149 L CB -0.838 41.293 42.059 0.119 0.000 0.899 149 L HN 0.721 nan 8.230 nan 0.000 0.434 150 S N -0.848 114.954 115.700 0.170 0.000 2.359 150 S HA -0.279 4.191 4.470 -0.000 0.000 0.224 150 S C 2.072 176.735 174.600 0.105 0.000 1.035 150 S CA 1.700 59.981 58.200 0.135 0.000 1.018 150 S CB -0.304 62.941 63.200 0.076 0.000 0.876 150 S HN 0.666 nan 8.310 nan 0.000 0.448 151 E N -0.853 119.360 120.200 0.023 0.000 2.077 151 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 151 E C 1.843 178.437 176.600 -0.011 0.000 0.989 151 E CA 1.288 57.646 56.400 -0.069 0.000 0.800 151 E CB -0.327 29.240 29.700 -0.222 0.000 0.746 151 E HN 0.759 nan 8.360 nan 0.000 0.452 152 W N 0.462 121.818 121.300 0.095 0.000 2.321 152 W HA -0.135 4.525 4.660 0.000 0.000 0.306 152 W C 2.381 179.002 176.519 0.169 0.000 1.217 152 W CA 0.836 58.259 57.345 0.129 0.000 1.257 152 W CB -0.566 28.981 29.460 0.146 0.000 1.145 152 W HN 0.257 nan 8.180 nan 0.000 0.509 153 G N 0.494 109.556 108.800 0.436 0.000 2.446 153 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 153 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 153 G C 1.358 176.330 174.900 0.120 0.000 1.168 153 G CA 1.263 46.501 45.100 0.231 0.000 0.771 153 G HN 0.224 nan 8.290 nan 0.000 0.551 154 K N 0.002 120.468 120.400 0.109 0.000 2.097 154 K HA -0.019 4.301 4.320 -0.000 0.000 0.206 154 K C 2.713 179.357 176.600 0.074 0.000 1.049 154 K CA 0.952 57.278 56.287 0.064 0.000 0.933 154 K CB -0.116 32.407 32.500 0.038 0.000 0.717 154 K HN 0.167 nan 8.250 nan 0.000 0.442 155 R N 0.456 121.023 120.500 0.113 0.000 2.115 155 R HA -0.000 4.340 4.340 -0.000 0.000 0.226 155 R C 1.734 178.115 176.300 0.135 0.000 1.100 155 R CA 0.896 57.072 56.100 0.126 0.000 0.980 155 R CB -0.057 30.347 30.300 0.173 0.000 0.875 155 R HN 0.120 nan 8.270 nan 0.000 0.445 156 L N -0.170 121.142 121.223 0.148 0.000 2.607 156 L HA 0.198 4.538 4.340 -0.000 0.000 0.228 156 L C 0.173 177.068 176.870 0.041 0.000 1.123 156 L CA -0.136 54.763 54.840 0.098 0.000 0.890 156 L CB 0.342 42.463 42.059 0.102 0.000 1.103 156 L HN 0.014 nan 8.230 nan 0.000 0.468 157 S N 0.657 116.379 115.700 0.036 0.000 3.748 157 S HA -0.138 4.332 4.470 -0.000 0.000 0.329 157 S C 0.116 174.708 174.600 -0.014 0.000 1.104 157 S CA 0.379 58.590 58.200 0.018 0.000 0.954 157 S CB -1.491 61.724 63.200 0.024 0.000 0.910 157 S HN 0.322 nan 8.310 nan 0.000 0.494 158 I N 2.681 123.204 120.570 -0.078 0.000 2.362 158 I HA 0.335 4.505 4.170 -0.000 0.000 0.289 158 I C -1.922 174.088 176.117 -0.177 0.000 0.994 158 I CA -2.323 58.849 61.300 -0.212 0.000 1.158 158 I CB 1.702 39.331 38.000 -0.618 0.000 1.315 158 I HN -0.054 nan 8.210 nan 0.000 0.451 159 P HA 0.110 nan 4.420 nan 0.000 0.271 159 P C -0.831 176.420 177.300 -0.082 0.000 1.216 159 P CA -0.117 62.925 63.100 -0.095 0.000 0.776 159 P CB 1.455 33.071 31.700 -0.141 0.000 0.881 160 V N 4.818 124.737 119.914 0.009 0.000 2.378 160 V HA 0.201 4.321 4.120 -0.000 0.000 0.288 160 V C 0.580 176.708 176.094 0.055 0.000 1.016 160 V CA -0.854 61.504 62.300 0.096 0.000 0.840 160 V CB 1.376 33.303 31.823 0.173 0.000 0.994 160 V HN 0.409 nan 8.190 nan 0.000 0.431 161 I N 6.035 126.633 120.570 0.047 0.000 2.517 161 I HA 0.312 4.482 4.170 -0.000 0.000 0.285 161 I C 0.356 176.506 176.117 0.055 0.000 1.106 161 I CA 0.483 61.800 61.300 0.028 0.000 1.402 161 I CB 0.467 38.472 38.000 0.010 0.000 1.399 161 I HN 0.904 nan 8.210 nan 0.000 0.535 162 Q N 5.107 124.934 119.800 0.045 0.000 2.511 162 Q HA 0.846 5.186 4.340 -0.000 0.000 0.289 162 Q C -0.996 175.026 176.000 0.036 0.000 1.021 162 Q CA -1.130 54.704 55.803 0.051 0.000 0.785 162 Q CB 2.568 31.341 28.738 0.058 0.000 1.472 162 Q HN 0.622 nan 8.270 nan 0.000 0.411 163 G N 0.610 109.430 108.800 0.034 0.000 2.694 163 G HA2 0.665 4.625 3.960 -0.000 0.000 0.290 163 G HA3 0.665 4.625 3.960 -0.000 0.000 0.290 163 G C -2.929 171.976 174.900 0.008 0.000 1.386 163 G CA -1.507 43.604 45.100 0.017 0.000 0.872 163 G HN 0.456 nan 8.290 nan 0.000 0.475 164 P HA 0.093 nan 4.420 nan 0.000 0.266 164 P C 0.083 177.364 177.300 -0.033 0.000 1.193 164 P CA 0.003 63.094 63.100 -0.014 0.000 0.770 164 P CB 0.579 32.268 31.700 -0.020 0.000 0.836 165 E N 1.135 121.314 120.200 -0.034 0.000 2.452 165 E HA 0.154 4.504 4.350 -0.000 0.000 0.261 165 E C 1.163 177.691 176.600 -0.119 0.000 0.987 165 E CA 1.038 57.399 56.400 -0.064 0.000 0.926 165 E CB -0.439 29.236 29.700 -0.041 0.000 0.934 165 E HN 0.735 nan 8.360 nan 0.000 0.452 166 G N 3.134 111.797 108.800 -0.229 0.000 2.213 166 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.236 166 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.236 166 G C 0.457 175.219 174.900 -0.229 0.000 0.991 166 G CA 0.182 45.115 45.100 -0.278 0.000 0.629 166 G HN 0.640 nan 8.290 nan 0.000 0.517 167 T N 1.752 116.218 114.554 -0.148 0.000 2.946 167 T HA 0.343 4.693 4.350 -0.000 0.000 0.311 167 T C 0.322 174.968 174.700 -0.090 0.000 1.063 167 T CA 0.738 62.785 62.100 -0.087 0.000 1.139 167 T CB 0.930 69.775 68.868 -0.038 0.000 0.994 167 T HN 0.378 nan 8.240 nan 0.000 0.547 168 D N 4.189 124.552 120.400 -0.062 0.000 2.479 168 D HA 0.002 4.642 4.640 -0.000 0.000 0.257 168 D C -0.892 175.416 176.300 0.014 0.000 1.230 168 D CA -1.850 52.126 54.000 -0.040 0.000 0.912 168 D CB 0.937 41.717 40.800 -0.034 0.000 1.130 168 D HN 0.177 nan 8.370 nan 0.000 0.515 169 P HA -0.161 nan 4.420 nan 0.000 0.218 169 P C 0.918 178.269 177.300 0.085 0.000 1.149 169 P CA 1.126 64.300 63.100 0.124 0.000 0.817 169 P CB 0.163 31.995 31.700 0.220 0.000 0.785 170 A N 0.497 123.355 122.820 0.062 0.000 1.929 170 A HA 0.108 4.428 4.320 -0.000 0.000 0.216 170 A C 2.463 180.092 177.584 0.075 0.000 1.176 170 A CA 1.641 53.714 52.037 0.060 0.000 0.628 170 A CB -1.388 17.634 19.000 0.036 0.000 0.816 170 A HN 0.223 nan 8.150 nan 0.000 0.444 171 A N -0.728 122.119 122.820 0.045 0.000 2.015 171 A HA 0.085 4.405 4.320 -0.000 0.000 0.219 171 A C 2.042 179.688 177.584 0.103 0.000 1.163 171 A CA 1.478 53.545 52.037 0.050 0.000 0.646 171 A CB -0.438 18.561 19.000 -0.002 0.000 0.806 171 A HN 0.551 nan 8.150 nan 0.000 0.448 172 L N -0.460 120.811 121.223 0.081 0.000 2.044 172 L HA 0.052 4.392 4.340 -0.000 0.000 0.205 172 L C 2.632 179.550 176.870 0.080 0.000 1.075 172 L CA 2.071 56.956 54.840 0.076 0.000 0.747 172 L CB -0.673 41.426 42.059 0.068 0.000 0.903 172 L HN 0.294 nan 8.230 nan 0.000 0.435 173 A N -1.612 121.259 122.820 0.085 0.000 1.929 173 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 173 A C 2.276 179.900 177.584 0.066 0.000 1.176 173 A CA 1.531 53.604 52.037 0.061 0.000 0.628 173 A CB -1.122 17.911 19.000 0.056 0.000 0.816 173 A HN 0.606 nan 8.150 nan 0.000 0.444 174 Y N 1.365 121.661 120.300 -0.007 0.000 2.097 174 Y HA -0.266 4.284 4.550 -0.000 0.000 0.282 174 Y C 1.859 177.750 175.900 -0.014 0.000 1.152 174 Y CA 2.264 60.357 58.100 -0.011 0.000 1.136 174 Y CB -0.186 38.270 38.460 -0.008 0.000 0.975 174 Y HN 0.353 nan 8.280 nan 0.000 0.498 175 D N 0.099 120.602 120.400 0.172 0.000 2.178 175 D HA -0.183 4.457 4.640 -0.000 0.000 0.201 175 D C 2.257 178.534 176.300 -0.039 0.000 0.980 175 D CA 1.346 55.386 54.000 0.068 0.000 0.842 175 D CB -0.619 40.235 40.800 0.089 0.000 0.948 175 D HN 0.510 nan 8.370 nan 0.000 0.472 176 A N 0.591 123.391 122.820 -0.033 0.000 1.877 176 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 176 A C 2.534 180.052 177.584 -0.109 0.000 1.186 176 A CA 1.403 53.405 52.037 -0.059 0.000 0.620 176 A CB -0.740 18.245 19.000 -0.025 0.000 0.822 176 A HN 0.156 nan 8.150 nan 0.000 0.443 177 V N -0.011 119.817 119.914 -0.143 0.000 2.307 177 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 177 V C 2.703 178.681 176.094 -0.194 0.000 1.045 177 V CA 1.918 64.114 62.300 -0.173 0.000 1.024 177 V CB -0.876 30.824 31.823 -0.204 0.000 0.651 177 V HN 0.523 nan 8.190 nan 0.000 0.449 178 Q N 0.222 119.859 119.800 -0.271 0.000 2.112 178 Q HA -0.227 4.113 4.340 -0.000 0.000 0.206 178 Q C 2.435 178.364 176.000 -0.119 0.000 0.987 178 Q CA 2.216 57.888 55.803 -0.217 0.000 0.858 178 Q CB -0.812 27.790 28.738 -0.228 0.000 0.905 178 Q HN 0.664 nan 8.270 nan 0.000 0.420 179 A N 0.872 123.625 122.820 -0.110 0.000 1.898 179 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 179 A C 2.099 179.624 177.584 -0.099 0.000 1.181 179 A CA 1.537 53.517 52.037 -0.095 0.000 0.620 179 A CB -0.590 18.343 19.000 -0.111 0.000 0.819 179 A HN 0.396 nan 8.150 nan 0.000 0.442 180 M N -0.524 119.007 119.600 -0.115 0.000 2.108 180 M HA -0.214 4.266 4.480 -0.000 0.000 0.261 180 M C 1.931 178.245 176.300 0.023 0.000 1.066 180 M CA 2.024 57.286 55.300 -0.062 0.000 1.107 180 M CB -0.266 32.291 32.600 -0.071 0.000 1.356 180 M HN 0.397 nan 8.290 nan 0.000 0.406 181 K N 0.133 120.517 120.400 -0.027 0.000 1.984 181 K HA -0.082 4.238 4.320 -0.000 0.000 0.209 181 K C 2.039 178.642 176.600 0.005 0.000 1.046 181 K CA 1.599 57.875 56.287 -0.019 0.000 0.934 181 K CB -0.384 32.084 32.500 -0.054 0.000 0.717 181 K HN 0.421 nan 8.250 nan 0.000 0.438 182 A N 1.396 124.214 122.820 -0.004 0.000 1.933 182 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 182 A C 1.858 179.467 177.584 0.041 0.000 1.175 182 A CA 1.423 53.466 52.037 0.009 0.000 0.628 182 A CB -0.320 18.678 19.000 -0.002 0.000 0.814 182 A HN 0.216 nan 8.150 nan 0.000 0.444 183 R N -1.354 119.197 120.500 0.085 0.000 2.317 183 R HA 0.267 4.607 4.340 -0.000 0.000 0.208 183 R C 0.931 177.349 176.300 0.197 0.000 0.914 183 R CA 0.455 56.654 56.100 0.166 0.000 1.060 183 R CB 0.021 30.460 30.300 0.231 0.000 1.015 183 R HN 0.622 nan 8.270 nan 0.000 0.498 184 G N 1.133 110.013 108.800 0.133 0.000 2.298 184 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.287 184 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.287 184 G C -0.505 174.405 174.900 0.016 0.000 1.075 184 G CA -0.107 45.023 45.100 0.051 0.000 0.960 184 G HN 0.229 nan 8.290 nan 0.000 0.502 185 Y N -0.046 120.227 120.300 -0.045 0.000 2.307 185 Y HA 0.351 4.901 4.550 0.000 0.000 0.324 185 Y C 1.603 177.467 175.900 -0.061 0.000 1.238 185 Y CA -0.426 57.646 58.100 -0.048 0.000 1.280 185 Y CB 0.832 39.261 38.460 -0.050 0.000 1.248 185 Y HN 0.170 nan 8.280 nan 0.000 0.508 186 D N 1.017 121.429 120.400 0.020 0.000 2.216 186 D HA 0.085 4.725 4.640 -0.000 0.000 0.208 186 D C -0.154 176.110 176.300 -0.060 0.000 0.960 186 D CA 1.184 55.169 54.000 -0.025 0.000 0.861 186 D CB 0.558 41.336 40.800 -0.037 0.000 0.985 186 D HN 0.269 nan 8.370 nan 0.000 0.493 187 L N 0.501 121.698 121.223 -0.044 0.000 2.472 187 L HA 0.404 4.744 4.340 -0.000 0.000 0.260 187 L C -1.548 175.237 176.870 -0.142 0.000 0.963 187 L CA -0.956 53.767 54.840 -0.196 0.000 0.829 187 L CB 3.062 44.934 42.059 -0.312 0.000 1.348 187 L HN -0.162 nan 8.230 nan 0.000 0.408 188 L N 2.255 123.300 121.223 -0.296 0.000 2.406 188 L HA 0.595 4.935 4.340 -0.000 0.000 0.272 188 L C -1.530 175.128 176.870 -0.354 0.000 0.980 188 L CA 0.125 54.863 54.840 -0.171 0.000 0.831 188 L CB 1.493 43.474 42.059 -0.129 0.000 1.253 188 L HN 0.231 nan 8.230 nan 0.000 0.406 189 F N 4.795 124.777 119.950 0.054 0.000 2.410 189 F HA 0.544 5.071 4.527 -0.000 0.000 0.349 189 F C 0.122 175.896 175.800 -0.043 0.000 1.117 189 F CA -0.608 57.369 58.000 -0.038 0.000 1.104 189 F CB 1.701 40.668 39.000 -0.055 0.000 1.122 189 F HN 0.132 nan 8.300 nan 0.000 0.483 190 V N 3.093 123.036 119.914 0.049 0.000 2.328 190 V HA 0.177 4.297 4.120 -0.000 0.000 0.278 190 V C -0.169 175.932 176.094 0.013 0.000 1.021 190 V CA -0.789 61.527 62.300 0.026 0.000 0.838 190 V CB 0.981 32.799 31.823 -0.008 0.000 0.999 190 V HN 0.576 nan 8.190 nan 0.000 0.447 191 D N 3.778 124.179 120.400 0.001 0.000 2.339 191 D HA 0.530 5.170 4.640 -0.000 0.000 0.245 191 D C 0.254 176.548 176.300 -0.010 0.000 1.115 191 D CA 0.287 54.272 54.000 -0.025 0.000 0.917 191 D CB 1.620 42.393 40.800 -0.044 0.000 1.192 191 D HN 0.756 nan 8.370 nan 0.000 0.428 192 T N -1.118 113.417 114.554 -0.032 0.000 2.864 192 T HA 0.749 5.099 4.350 -0.000 0.000 0.299 192 T C -0.219 174.409 174.700 -0.120 0.000 1.166 192 T CA -0.890 61.177 62.100 -0.055 0.000 1.007 192 T CB 1.087 69.938 68.868 -0.029 0.000 1.219 192 T HN 0.422 nan 8.240 nan 0.000 0.506 193 A N -0.200 122.452 122.820 -0.279 0.000 2.448 193 A HA 0.619 4.939 4.320 -0.000 0.000 0.239 193 A C 1.206 178.679 177.584 -0.186 0.000 1.080 193 A CA 0.052 51.821 52.037 -0.446 0.000 0.779 193 A CB -0.516 17.840 19.000 -1.074 0.000 1.026 193 A HN 1.667 nan 8.150 nan 0.000 0.499 194 G N 0.397 109.123 108.800 -0.124 0.000 4.213 194 G HA2 0.269 4.229 3.960 -0.000 0.000 0.274 194 G HA3 0.269 4.229 3.960 -0.000 0.000 0.274 194 G C 0.273 175.178 174.900 0.008 0.000 1.033 194 G CA -0.413 44.690 45.100 0.006 0.000 0.822 194 G HN 0.608 nan 8.290 nan 0.000 0.432 195 R N 0.786 121.262 120.500 -0.041 0.000 2.221 195 R HA 0.403 4.743 4.340 -0.000 0.000 0.327 195 R C 0.544 176.796 176.300 -0.080 0.000 1.033 195 R CA -0.447 55.646 56.100 -0.011 0.000 0.887 195 R CB 1.391 31.711 30.300 0.033 0.000 1.057 195 R HN 0.106 nan 8.270 nan 0.000 0.455 196 L N 2.653 123.770 121.223 -0.176 0.000 2.591 196 L HA 0.069 4.409 4.340 -0.000 0.000 0.228 196 L C 0.185 176.613 176.870 -0.737 0.000 1.133 196 L CA 0.623 55.190 54.840 -0.456 0.000 0.880 196 L CB -0.074 41.635 42.059 -0.583 0.000 1.033 196 L HN 0.651 nan 8.230 nan 0.000 0.450 197 H N -1.947 117.128 119.070 0.007 0.000 2.676 197 H HA 0.169 4.725 4.556 -0.000 0.000 0.238 197 H C 0.484 175.819 175.328 0.012 0.000 1.276 197 H CA -0.293 55.758 56.048 0.005 0.000 0.983 197 H CB 0.368 30.133 29.762 0.005 0.000 2.000 197 H HN 0.053 nan 8.280 nan 0.000 0.584 198 T N -2.468 112.124 114.554 0.062 0.000 2.922 198 T HA 0.160 4.510 4.350 -0.000 0.000 0.281 198 T C 1.502 176.192 174.700 -0.017 0.000 1.005 198 T CA -0.945 61.188 62.100 0.055 0.000 0.982 198 T CB 1.644 70.580 68.868 0.112 0.000 1.158 198 T HN 0.446 nan 8.240 nan 0.000 0.566 199 K N -0.677 119.655 120.400 -0.114 0.000 2.283 199 K HA -0.076 4.244 4.320 -0.000 0.000 0.202 199 K C 0.229 176.623 176.600 -0.342 0.000 1.048 199 K CA 0.792 56.934 56.287 -0.242 0.000 0.948 199 K CB -0.323 31.975 32.500 -0.337 0.000 0.742 199 K HN 0.594 nan 8.250 nan 0.000 0.458 200 H N 1.734 120.843 119.070 0.065 0.000 2.641 200 H HA 0.111 4.667 4.556 -0.000 0.000 0.295 200 H C -0.967 174.378 175.328 0.029 0.000 1.070 200 H CA -1.196 54.892 56.048 0.066 0.000 1.257 200 H CB 0.587 30.431 29.762 0.136 0.000 1.393 200 H HN 0.219 nan 8.280 nan 0.000 0.464 201 N N 2.989 121.743 118.700 0.089 0.000 2.315 201 N HA -0.134 4.606 4.740 -0.000 0.000 0.270 201 N C 1.290 176.802 175.510 0.004 0.000 1.329 201 N CA -0.202 52.858 53.050 0.016 0.000 0.860 201 N CB 0.470 38.960 38.487 0.004 0.000 1.095 201 N HN 0.461 nan 8.380 nan 0.000 0.487 202 L N 5.102 126.291 121.223 -0.058 0.000 1.970 202 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 202 L C 1.777 178.592 176.870 -0.091 0.000 1.071 202 L CA 1.798 56.585 54.840 -0.089 0.000 0.751 202 L CB -0.417 41.545 42.059 -0.160 0.000 0.889 202 L HN 0.730 nan 8.230 nan 0.000 0.432 203 M N -0.619 118.896 119.600 -0.143 0.000 2.149 203 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 203 M C 2.139 178.413 176.300 -0.043 0.000 1.064 203 M CA 1.464 56.691 55.300 -0.121 0.000 1.102 203 M CB -1.493 31.018 32.600 -0.148 0.000 1.369 203 M HN 0.329 nan 8.290 nan 0.000 0.408 204 E N 0.027 120.212 120.200 -0.026 0.000 2.106 204 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 204 E C 1.938 178.548 176.600 0.018 0.000 0.984 204 E CA 1.036 57.437 56.400 0.002 0.000 0.806 204 E CB -0.341 29.366 29.700 0.012 0.000 0.750 204 E HN 0.669 nan 8.360 nan 0.000 0.458 205 E N 1.084 121.299 120.200 0.024 0.000 2.051 205 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 205 E C 2.326 178.944 176.600 0.029 0.000 0.991 205 E CA 0.692 57.113 56.400 0.035 0.000 0.799 205 E CB -0.071 29.654 29.700 0.042 0.000 0.748 205 E HN 0.153 nan 8.360 nan 0.000 0.449 206 L N 0.504 121.741 121.223 0.022 0.000 2.012 206 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 206 L C 2.645 179.541 176.870 0.043 0.000 1.073 206 L CA 1.683 56.549 54.840 0.043 0.000 0.748 206 L CB -0.411 41.694 42.059 0.075 0.000 0.891 206 L HN 0.124 nan 8.230 nan 0.000 0.431 207 K N -0.139 120.281 120.400 0.033 0.000 2.148 207 K HA -0.191 4.129 4.320 -0.000 0.000 0.204 207 K C 2.163 178.780 176.600 0.029 0.000 1.050 207 K CA 1.007 57.313 56.287 0.031 0.000 0.942 207 K CB -0.070 32.443 32.500 0.021 0.000 0.724 207 K HN 0.178 nan 8.250 nan 0.000 0.446 208 K N 1.011 121.428 120.400 0.028 0.000 2.097 208 K HA -0.094 4.226 4.320 -0.000 0.000 0.205 208 K C 1.923 178.545 176.600 0.036 0.000 1.050 208 K CA 0.835 57.138 56.287 0.028 0.000 0.938 208 K CB 0.155 32.670 32.500 0.026 0.000 0.718 208 K HN -0.073 nan 8.250 nan 0.000 0.442 209 V N 1.657 121.595 119.914 0.040 0.000 2.307 209 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 209 V C 2.400 178.518 176.094 0.039 0.000 1.045 209 V CA 1.818 64.145 62.300 0.045 0.000 1.024 209 V CB -0.412 31.436 31.823 0.042 0.000 0.651 209 V HN 0.382 nan 8.190 nan 0.000 0.449 210 K N -0.013 120.407 120.400 0.032 0.000 2.063 210 K HA -0.239 4.081 4.320 -0.000 0.000 0.208 210 K C 2.379 178.995 176.600 0.027 0.000 1.048 210 K CA 1.711 58.012 56.287 0.024 0.000 0.928 210 K CB -0.126 32.389 32.500 0.026 0.000 0.713 210 K HN 0.249 nan 8.250 nan 0.000 0.442 211 R N -0.020 120.500 120.500 0.033 0.000 2.091 211 R HA -0.127 4.212 4.340 -0.000 0.000 0.238 211 R C 2.221 178.557 176.300 0.059 0.000 1.136 211 R CA 1.553 57.675 56.100 0.036 0.000 0.959 211 R CB -0.305 30.012 30.300 0.029 0.000 0.856 211 R HN 0.312 nan 8.270 nan 0.000 0.437 212 A N 0.578 123.442 122.820 0.073 0.000 1.902 212 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 212 A C 2.125 179.807 177.584 0.164 0.000 1.181 212 A CA 1.421 53.541 52.037 0.139 0.000 0.623 212 A CB -0.528 18.549 19.000 0.129 0.000 0.818 212 A HN 0.309 nan 8.150 nan 0.000 0.443 213 I N -0.330 120.284 120.570 0.073 0.000 2.226 213 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 213 I C 2.919 179.037 176.117 0.002 0.000 1.100 213 I CA 1.073 62.381 61.300 0.012 0.000 1.374 213 I CB -0.236 37.753 38.000 -0.018 0.000 1.057 213 I HN 0.370 nan 8.210 nan 0.000 0.413 214 A N 0.434 123.268 122.820 0.024 0.000 1.930 214 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 214 A C 2.371 179.980 177.584 0.041 0.000 1.175 214 A CA 1.620 53.668 52.037 0.018 0.000 0.627 214 A CB -0.459 18.552 19.000 0.019 0.000 0.815 214 A HN 0.353 nan 8.150 nan 0.000 0.443 215 K N -0.213 120.243 120.400 0.094 0.000 2.147 215 K HA -0.065 4.255 4.320 -0.000 0.000 0.205 215 K C 1.994 178.693 176.600 0.166 0.000 1.049 215 K CA 1.195 57.572 56.287 0.150 0.000 0.936 215 K CB -0.264 32.362 32.500 0.211 0.000 0.722 215 K HN 0.369 nan 8.250 nan 0.000 0.446 216 A N 0.289 123.145 122.820 0.060 0.000 1.930 216 A HA -0.057 4.263 4.320 -0.000 0.000 0.215 216 A C 0.543 178.056 177.584 -0.119 0.000 1.176 216 A CA 1.141 53.056 52.037 -0.203 0.000 0.632 216 A CB 0.156 18.813 19.000 -0.571 0.000 0.819 216 A HN 0.396 nan 8.150 nan 0.000 0.445 217 D N -2.136 118.220 120.400 -0.073 0.000 2.375 217 D HA 0.314 4.954 4.640 -0.000 0.000 0.241 217 D C -2.567 173.713 176.300 -0.034 0.000 1.361 217 D CA -1.538 52.426 54.000 -0.059 0.000 0.995 217 D CB 1.468 42.220 40.800 -0.080 0.000 1.312 217 D HN -0.139 nan 8.370 nan 0.000 0.576 218 P HA -0.100 nan 4.420 nan 0.000 0.222 218 P C 0.955 178.247 177.300 -0.014 0.000 1.142 218 P CA 0.809 63.905 63.100 -0.007 0.000 0.788 218 P CB 0.520 32.219 31.700 -0.002 0.000 0.767 219 E N -0.898 119.287 120.200 -0.024 0.000 2.385 219 E HA 0.015 4.365 4.350 -0.000 0.000 0.194 219 E C 0.528 177.106 176.600 -0.037 0.000 1.013 219 E CA 0.615 56.999 56.400 -0.027 0.000 0.866 219 E CB 0.227 29.909 29.700 -0.031 0.000 0.832 219 E HN 0.388 nan 8.360 nan 0.000 0.500 220 E N 1.164 121.336 120.200 -0.046 0.000 2.250 220 E HA 0.292 4.642 4.350 -0.000 0.000 0.269 220 E C -2.304 174.267 176.600 -0.048 0.000 1.018 220 E CA -2.217 54.145 56.400 -0.063 0.000 0.873 220 E CB 1.078 30.726 29.700 -0.086 0.000 1.134 220 E HN -0.036 nan 8.360 nan 0.000 0.403 221 P HA 0.262 nan 4.420 nan 0.000 0.292 221 P C -0.139 177.106 177.300 -0.092 0.000 1.287 221 P CA -0.370 62.670 63.100 -0.101 0.000 0.800 221 P CB 1.028 32.657 31.700 -0.118 0.000 0.945 222 K N 1.147 121.481 120.400 -0.111 0.000 2.525 222 K HA 0.048 4.368 4.320 -0.000 0.000 0.192 222 K C 0.345 176.896 176.600 -0.081 0.000 1.029 222 K CA 0.734 56.974 56.287 -0.077 0.000 1.029 222 K CB 0.312 32.771 32.500 -0.068 0.000 0.814 222 K HN 0.502 nan 8.250 nan 0.000 0.503 223 E N 0.603 120.698 120.200 -0.176 0.000 2.290 223 E HA 0.238 4.588 4.350 -0.000 0.000 0.274 223 E C -1.323 175.112 176.600 -0.274 0.000 0.889 223 E CA -0.573 55.684 56.400 -0.239 0.000 0.760 223 E CB 2.599 31.943 29.700 -0.594 0.000 1.206 223 E HN -0.252 nan 8.360 nan 0.000 0.419 224 V N 3.044 122.918 119.914 -0.067 0.000 2.409 224 V HA 0.355 4.475 4.120 -0.000 0.000 0.290 224 V C -1.078 175.151 176.094 0.226 0.000 1.017 224 V CA -0.826 61.475 62.300 0.001 0.000 0.841 224 V CB 1.022 32.879 31.823 0.057 0.000 1.003 224 V HN 0.503 nan 8.190 nan 0.000 0.426 225 W N 5.382 126.671 121.300 -0.018 0.000 2.376 225 W HA 0.635 5.295 4.660 -0.000 0.000 0.312 225 W C -0.400 176.050 176.519 -0.114 0.000 1.060 225 W CA -1.612 55.709 57.345 -0.041 0.000 1.221 225 W CB 1.558 31.031 29.460 0.021 0.000 1.281 225 W HN 0.407 nan 8.180 nan 0.000 0.456 226 L N 4.350 125.595 121.223 0.036 0.000 2.312 226 L HA 0.611 4.951 4.340 -0.000 0.000 0.281 226 L C -0.658 176.126 176.870 -0.144 0.000 1.070 226 L CA -0.441 54.301 54.840 -0.163 0.000 0.805 226 L CB 1.140 43.058 42.059 -0.235 0.000 1.174 226 L HN 0.100 nan 8.230 nan 0.000 0.434 227 V N 6.677 126.482 119.914 -0.181 0.000 2.394 227 V HA 0.459 4.579 4.120 -0.000 0.000 0.282 227 V C 0.064 176.068 176.094 -0.150 0.000 1.031 227 V CA -0.505 61.711 62.300 -0.142 0.000 0.881 227 V CB 1.297 33.048 31.823 -0.120 0.000 0.982 227 V HN 0.635 nan 8.190 nan 0.000 0.451 228 L N 3.402 124.550 121.223 -0.126 0.000 2.362 228 L HA 0.556 4.896 4.340 -0.000 0.000 0.271 228 L C -0.511 176.314 176.870 -0.075 0.000 1.002 228 L CA -0.640 54.142 54.840 -0.097 0.000 0.818 228 L CB 2.303 44.303 42.059 -0.098 0.000 1.298 228 L HN 0.553 nan 8.230 nan 0.000 0.420 229 D N 1.883 122.255 120.400 -0.048 0.000 2.316 229 D HA 0.217 4.857 4.640 -0.000 0.000 0.245 229 D C 0.716 177.002 176.300 -0.024 0.000 1.171 229 D CA -0.084 53.897 54.000 -0.032 0.000 0.856 229 D CB 2.156 42.947 40.800 -0.015 0.000 1.090 229 D HN 0.645 nan 8.370 nan 0.000 0.476 230 A N 3.404 126.211 122.820 -0.023 0.000 2.178 230 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 230 A C 1.834 179.419 177.584 0.003 0.000 1.157 230 A CA 0.841 52.872 52.037 -0.011 0.000 0.689 230 A CB 0.030 19.032 19.000 0.003 0.000 0.787 230 A HN 0.502 nan 8.150 nan 0.000 0.465 231 V N -1.246 118.670 119.914 0.003 0.000 3.608 231 V HA -0.054 4.066 4.120 -0.000 0.000 0.269 231 V C 2.194 178.294 176.094 0.010 0.000 1.245 231 V CA 1.419 63.724 62.300 0.009 0.000 1.138 231 V CB -0.657 31.172 31.823 0.009 0.000 0.841 231 V HN 0.508 nan 8.190 nan 0.000 0.451 232 T N 0.219 114.778 114.554 0.008 0.000 2.508 232 T HA 0.345 4.695 4.350 -0.000 0.000 0.249 232 T C 0.901 175.611 174.700 0.016 0.000 1.173 232 T CA 1.769 63.878 62.100 0.014 0.000 1.275 232 T CB -0.238 68.640 68.868 0.017 0.000 0.883 232 T HN 0.748 nan 8.240 nan 0.000 0.394 233 G N -0.535 108.274 108.800 0.015 0.000 2.356 233 G HA2 0.199 4.159 3.960 -0.000 0.000 0.288 233 G HA3 0.199 4.159 3.960 -0.000 0.000 0.288 233 G C -0.072 174.839 174.900 0.018 0.000 1.302 233 G CA 0.279 45.389 45.100 0.016 0.000 0.887 233 G HN 0.252 nan 8.290 nan 0.000 0.521 234 Q N 0.384 120.196 119.800 0.019 0.000 2.291 234 Q HA -0.094 4.246 4.340 -0.000 0.000 0.205 234 Q C 1.575 177.592 176.000 0.027 0.000 0.970 234 Q CA 1.673 57.488 55.803 0.021 0.000 0.876 234 Q CB -0.423 28.327 28.738 0.019 0.000 0.935 234 Q HN 0.701 nan 8.270 nan 0.000 0.455 235 N N 1.029 119.747 118.700 0.030 0.000 2.166 235 N HA -0.126 4.614 4.740 -0.000 0.000 0.186 235 N C 1.861 177.400 175.510 0.050 0.000 1.019 235 N CA 1.194 54.267 53.050 0.039 0.000 0.856 235 N CB -0.199 38.313 38.487 0.040 0.000 0.993 235 N HN 0.427 nan 8.380 nan 0.000 0.426 236 G N 0.771 109.598 108.800 0.046 0.000 2.471 236 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.219 236 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.219 236 G C 1.390 176.324 174.900 0.056 0.000 1.125 236 G CA 0.161 45.294 45.100 0.055 0.000 0.775 236 G HN 0.256 nan 8.290 nan 0.000 0.548 237 L N 0.376 121.624 121.223 0.042 0.000 2.162 237 L HA 0.240 4.580 4.340 -0.000 0.000 0.205 237 L C 2.570 179.475 176.870 0.059 0.000 1.086 237 L CA 1.325 56.188 54.840 0.038 0.000 0.778 237 L CB -0.424 41.648 42.059 0.022 0.000 0.928 237 L HN 0.321 nan 8.230 nan 0.000 0.446 238 E N -0.887 119.346 120.200 0.054 0.000 2.077 238 E HA -0.272 4.077 4.350 -0.000 0.000 0.193 238 E C 2.066 178.708 176.600 0.071 0.000 0.989 238 E CA 1.371 57.804 56.400 0.054 0.000 0.800 238 E CB -0.190 29.534 29.700 0.040 0.000 0.746 238 E HN 0.608 nan 8.360 nan 0.000 0.452 239 Q N 0.496 120.351 119.800 0.092 0.000 2.084 239 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 239 Q C 2.330 178.484 176.000 0.255 0.000 0.978 239 Q CA 1.267 57.145 55.803 0.124 0.000 0.844 239 Q CB -0.235 28.608 28.738 0.176 0.000 0.898 239 Q HN 0.283 nan 8.270 nan 0.000 0.426 240 A N 1.641 124.610 122.820 0.249 0.000 1.917 240 A HA -0.295 4.025 4.320 -0.000 0.000 0.219 240 A C 1.917 179.644 177.584 0.238 0.000 1.182 240 A CA 1.890 54.072 52.037 0.242 0.000 0.633 240 A CB -0.430 18.625 19.000 0.091 0.000 0.819 240 A HN 0.232 nan 8.150 nan 0.000 0.448 241 K N -0.265 120.232 120.400 0.163 0.000 2.063 241 K HA -0.172 4.148 4.320 -0.000 0.000 0.208 241 K C 2.081 178.765 176.600 0.140 0.000 1.048 241 K CA 1.803 58.181 56.287 0.152 0.000 0.928 241 K CB -0.200 32.353 32.500 0.089 0.000 0.713 241 K HN 0.510 nan 8.250 nan 0.000 0.442 242 K N -0.007 120.439 120.400 0.077 0.000 2.057 242 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 242 K C 2.021 178.626 176.600 0.008 0.000 1.049 242 K CA 1.362 57.640 56.287 -0.015 0.000 0.931 242 K CB -0.215 32.204 32.500 -0.137 0.000 0.714 242 K HN 0.008 nan 8.250 nan 0.000 0.440 243 F N 0.700 120.681 119.950 0.052 0.000 2.102 243 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 243 F C 2.654 178.525 175.800 0.118 0.000 1.105 243 F CA 1.557 59.590 58.000 0.056 0.000 1.239 243 F CB -0.550 38.473 39.000 0.037 0.000 0.991 243 F HN 0.170 nan 8.300 nan 0.000 0.474 244 H N 0.434 119.630 119.070 0.210 0.000 2.319 244 H HA -0.190 4.366 4.556 -0.000 0.000 0.299 244 H C 2.183 177.559 175.328 0.080 0.000 1.092 244 H CA 2.074 58.195 56.048 0.121 0.000 1.302 244 H CB -0.533 29.282 29.762 0.089 0.000 1.373 244 H HN 0.427 nan 8.280 nan 0.000 0.497 245 E N -0.422 119.835 120.200 0.096 0.000 2.204 245 E HA -0.104 4.246 4.350 -0.000 0.000 0.195 245 E C 2.071 178.680 176.600 0.015 0.000 0.990 245 E CA 0.849 57.243 56.400 -0.011 0.000 0.821 245 E CB -0.092 29.601 29.700 -0.012 0.000 0.750 245 E HN 0.504 nan 8.360 nan 0.000 0.477 246 A N 0.430 123.283 122.820 0.054 0.000 1.903 246 A HA -0.009 4.311 4.320 -0.000 0.000 0.213 246 A C 2.013 179.638 177.584 0.068 0.000 1.185 246 A CA 1.296 53.357 52.037 0.040 0.000 0.628 246 A CB 0.167 19.175 19.000 0.012 0.000 0.830 246 A HN 0.318 nan 8.150 nan 0.000 0.446 247 V N -5.095 114.893 119.914 0.124 0.000 3.382 247 V HA 0.565 4.685 4.120 -0.000 0.000 0.296 247 V C 0.885 177.063 176.094 0.141 0.000 1.529 247 V CA 0.087 62.458 62.300 0.118 0.000 1.048 247 V CB -0.732 31.166 31.823 0.124 0.000 0.878 247 V HN 1.577 nan 8.190 nan 0.000 0.442 248 G N 2.234 111.163 108.800 0.215 0.000 2.694 248 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.247 248 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.247 248 G C -0.448 174.626 174.900 0.291 0.000 0.989 248 G CA 0.089 45.363 45.100 0.290 0.000 1.252 248 G HN 0.616 nan 8.290 nan 0.000 0.483 249 L N 1.046 122.447 121.223 0.297 0.000 2.461 249 L HA 0.424 4.764 4.340 -0.000 0.000 0.272 249 L C 1.867 178.780 176.870 0.071 0.000 1.197 249 L CA 0.478 55.338 54.840 0.032 0.000 0.836 249 L CB 0.642 42.522 42.059 -0.298 0.000 1.105 249 L HN 0.712 nan 8.230 nan 0.000 0.477 250 T N -2.412 112.238 114.554 0.161 0.000 3.003 250 T HA 0.435 4.785 4.350 -0.000 0.000 0.261 250 T C 0.455 175.259 174.700 0.173 0.000 1.003 250 T CA 0.155 62.369 62.100 0.191 0.000 0.917 250 T CB 0.615 69.634 68.868 0.251 0.000 1.084 250 T HN 0.802 nan 8.240 nan 0.000 0.522 251 G N 0.058 108.936 108.800 0.129 0.000 2.506 251 G HA2 0.539 4.499 3.960 -0.000 0.000 0.292 251 G HA3 0.539 4.499 3.960 -0.000 0.000 0.292 251 G C -2.254 172.527 174.900 -0.199 0.000 1.425 251 G CA -0.556 44.458 45.100 -0.143 0.000 0.788 251 G HN 0.254 nan 8.290 nan 0.000 0.490 252 V N 0.430 120.156 119.914 -0.314 0.000 2.760 252 V HA 0.590 4.710 4.120 -0.000 0.000 0.309 252 V C -0.604 175.306 176.094 -0.306 0.000 1.077 252 V CA -0.589 61.553 62.300 -0.263 0.000 0.910 252 V CB 1.924 33.599 31.823 -0.245 0.000 1.008 252 V HN 0.679 nan 8.190 nan 0.000 0.424 253 I N 4.019 124.455 120.570 -0.223 0.000 2.406 253 I HA 0.504 4.674 4.170 -0.000 0.000 0.290 253 I C -0.801 175.215 176.117 -0.168 0.000 0.999 253 I CA -0.854 60.335 61.300 -0.185 0.000 1.124 253 I CB 2.116 40.042 38.000 -0.124 0.000 1.289 253 I HN 0.263 nan 8.210 nan 0.000 0.441 254 V N 5.199 125.005 119.914 -0.180 0.000 2.370 254 V HA 0.389 4.509 4.120 -0.000 0.000 0.283 254 V C 0.462 176.500 176.094 -0.094 0.000 1.023 254 V CA -0.442 61.768 62.300 -0.149 0.000 0.857 254 V CB 1.501 33.208 31.823 -0.195 0.000 0.985 254 V HN 0.875 nan 8.190 nan 0.000 0.443 255 T N 1.021 115.532 114.554 -0.072 0.000 2.923 255 T HA 0.535 4.885 4.350 -0.000 0.000 0.281 255 T C 0.177 174.863 174.700 -0.024 0.000 0.995 255 T CA -0.782 61.289 62.100 -0.048 0.000 0.985 255 T CB 1.059 69.893 68.868 -0.058 0.000 1.114 255 T HN 0.642 nan 8.240 nan 0.000 0.548 256 K N 0.119 120.513 120.400 -0.011 0.000 3.071 256 K HA -0.154 4.166 4.320 -0.000 0.000 0.265 256 K C 1.060 177.671 176.600 0.018 0.000 1.060 256 K CA 0.475 56.764 56.287 0.003 0.000 0.767 256 K CB -1.988 30.511 32.500 -0.000 0.000 1.241 256 K HN 0.569 nan 8.250 nan 0.000 0.486 257 L N 0.794 122.036 121.223 0.033 0.000 2.083 257 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 257 L C 2.393 179.293 176.870 0.050 0.000 1.083 257 L CA 1.862 56.739 54.840 0.062 0.000 0.752 257 L CB -0.508 41.620 42.059 0.115 0.000 0.899 257 L HN 0.439 nan 8.230 nan 0.000 0.433 258 D N -0.263 120.160 120.400 0.038 0.000 2.309 258 D HA -0.141 4.499 4.640 -0.000 0.000 0.212 258 D C 1.692 178.002 176.300 0.018 0.000 0.968 258 D CA 1.278 55.293 54.000 0.024 0.000 0.882 258 D CB -0.194 40.618 40.800 0.020 0.000 0.918 258 D HN 0.339 nan 8.370 nan 0.000 0.503 259 G N -0.655 108.156 108.800 0.018 0.000 3.189 259 G HA2 0.114 4.074 3.960 -0.000 0.000 0.225 259 G HA3 0.114 4.074 3.960 -0.000 0.000 0.225 259 G C 0.219 175.128 174.900 0.014 0.000 1.159 259 G CA 0.037 45.145 45.100 0.014 0.000 0.763 259 G HN 0.368 nan 8.290 nan 0.000 0.549 260 T N -1.591 112.974 114.554 0.018 0.000 2.900 260 T HA 0.533 4.883 4.350 -0.000 0.000 0.303 260 T C 0.558 175.269 174.700 0.018 0.000 1.142 260 T CA 0.320 62.431 62.100 0.018 0.000 1.007 260 T CB 1.643 70.524 68.868 0.022 0.000 1.156 260 T HN 0.105 nan 8.240 nan 0.000 0.490 261 A N 2.510 125.338 122.820 0.014 0.000 2.251 261 A HA 0.288 4.608 4.320 -0.000 0.000 0.209 261 A C 1.112 178.707 177.584 0.019 0.000 1.187 261 A CA 0.191 52.234 52.037 0.011 0.000 0.823 261 A CB -0.007 18.996 19.000 0.004 0.000 0.846 261 A HN 0.549 nan 8.150 nan 0.000 0.486 262 K N 0.232 120.649 120.400 0.028 0.000 2.965 262 K HA 0.187 4.507 4.320 -0.000 0.000 0.216 262 K C 1.201 177.837 176.600 0.059 0.000 1.164 262 K CA 0.419 56.727 56.287 0.036 0.000 1.153 262 K CB 0.073 32.589 32.500 0.028 0.000 1.045 262 K HN 0.294 nan 8.250 nan 0.000 0.460 263 G N 0.485 109.332 108.800 0.079 0.000 2.509 263 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.218 263 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.218 263 G C 1.307 176.343 174.900 0.226 0.000 1.124 263 G CA 0.559 45.751 45.100 0.152 0.000 0.776 263 G HN 0.436 nan 8.290 nan 0.000 0.547 264 G N 0.133 109.022 108.800 0.149 0.000 2.708 264 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.210 264 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.210 264 G C 1.523 176.504 174.900 0.135 0.000 1.141 264 G CA 0.630 45.831 45.100 0.169 0.000 0.788 264 G HN 0.314 nan 8.290 nan 0.000 0.531 265 V N 0.782 120.752 119.914 0.093 0.000 2.568 265 V HA -0.124 3.996 4.120 -0.000 0.000 0.253 265 V C 2.745 178.837 176.094 -0.004 0.000 1.072 265 V CA 1.301 63.624 62.300 0.037 0.000 1.084 265 V CB -0.224 31.610 31.823 0.019 0.000 0.676 265 V HN 0.466 nan 8.190 nan 0.000 0.469 266 L N -0.791 120.417 121.223 -0.025 0.000 2.129 266 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 266 L C 2.323 179.132 176.870 -0.101 0.000 1.087 266 L CA 1.958 56.700 54.840 -0.162 0.000 0.757 266 L CB -0.666 41.157 42.059 -0.394 0.000 0.896 266 L HN 0.350 nan 8.230 nan 0.000 0.434 267 I N -0.052 120.520 120.570 0.004 0.000 2.133 267 I HA -0.183 3.987 4.170 -0.000 0.000 0.238 267 I C -0.168 175.951 176.117 0.003 0.000 1.074 267 I CA 1.357 62.672 61.300 0.025 0.000 1.342 267 I CB -1.428 36.617 38.000 0.076 0.000 1.053 267 I HN 0.175 nan 8.210 nan 0.000 0.404 268 P HA -0.172 nan 4.420 nan 0.000 0.216 268 P C 1.819 179.109 177.300 -0.017 0.000 1.150 268 P CA 1.612 64.713 63.100 0.003 0.000 0.843 268 P CB -0.022 31.683 31.700 0.009 0.000 0.787 269 I N -1.287 119.257 120.570 -0.045 0.000 2.142 269 I HA -0.220 3.950 4.170 -0.000 0.000 0.240 269 I C 2.213 178.285 176.117 -0.075 0.000 1.078 269 I CA 1.485 62.743 61.300 -0.071 0.000 1.343 269 I CB -0.822 37.106 38.000 -0.121 0.000 1.046 269 I HN -0.174 nan 8.210 nan 0.000 0.405 270 V N 0.927 120.786 119.914 -0.092 0.000 2.358 270 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 270 V C 2.557 178.635 176.094 -0.027 0.000 1.047 270 V CA 1.704 63.958 62.300 -0.077 0.000 1.035 270 V CB -0.786 30.989 31.823 -0.079 0.000 0.658 270 V HN 0.367 nan 8.190 nan 0.000 0.452 271 R N -0.306 120.188 120.500 -0.010 0.000 2.096 271 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 271 R C 2.316 178.626 176.300 0.016 0.000 1.127 271 R CA 1.895 58.001 56.100 0.010 0.000 0.968 271 R CB -0.798 29.511 30.300 0.016 0.000 0.861 271 R HN 0.489 nan 8.270 nan 0.000 0.440 272 T N 1.524 116.085 114.554 0.012 0.000 2.770 272 T HA 0.026 4.376 4.350 -0.000 0.000 0.258 272 T C 1.940 176.667 174.700 0.045 0.000 1.039 272 T CA 0.906 63.022 62.100 0.026 0.000 1.143 272 T CB -0.003 68.878 68.868 0.021 0.000 0.866 272 T HN 0.113 nan 8.240 nan 0.000 0.428 273 L N 0.060 121.296 121.223 0.021 0.000 2.307 273 L HA 0.221 4.561 4.340 -0.000 0.000 0.211 273 L C 0.824 177.722 176.870 0.047 0.000 1.099 273 L CA 0.415 55.274 54.840 0.031 0.000 0.816 273 L CB -0.290 41.720 42.059 -0.082 0.000 0.952 273 L HN 0.207 nan 8.230 nan 0.000 0.455 274 K N 0.306 120.717 120.400 0.020 0.000 3.117 274 K HA -0.143 4.177 4.320 -0.000 0.000 0.269 274 K C -0.644 175.968 176.600 0.020 0.000 1.098 274 K CA 0.527 56.833 56.287 0.031 0.000 0.785 274 K CB -1.914 30.624 32.500 0.064 0.000 1.242 274 K HN 0.342 nan 8.250 nan 0.000 0.491 275 V N -3.329 116.563 119.914 -0.037 0.000 3.001 275 V HA 0.758 4.878 4.120 -0.000 0.000 0.314 275 V C -2.417 173.626 176.094 -0.084 0.000 1.099 275 V CA -2.353 59.915 62.300 -0.053 0.000 0.989 275 V CB 1.957 33.711 31.823 -0.114 0.000 1.040 275 V HN -0.094 nan 8.190 nan 0.000 0.434 276 P HA 0.463 nan 4.420 nan 0.000 0.278 276 P C -0.438 176.731 177.300 -0.218 0.000 1.238 276 P CA -0.348 62.690 63.100 -0.104 0.000 0.794 276 P CB 1.122 32.794 31.700 -0.046 0.000 0.955 277 I N 3.265 123.648 120.570 -0.311 0.000 2.471 277 I HA 0.028 4.198 4.170 -0.000 0.000 0.286 277 I C 1.684 177.593 176.117 -0.348 0.000 1.079 277 I CA -0.104 60.895 61.300 -0.502 0.000 1.398 277 I CB 0.585 37.933 38.000 -1.086 0.000 1.403 277 I HN 0.247 nan 8.210 nan 0.000 0.530 278 K N 5.372 125.525 120.400 -0.413 0.000 2.141 278 K HA 0.244 4.564 4.320 -0.000 0.000 0.202 278 K C -0.143 176.105 176.600 -0.588 0.000 1.045 278 K CA 1.096 57.084 56.287 -0.498 0.000 0.971 278 K CB 0.200 32.236 32.500 -0.772 0.000 0.795 278 K HN 0.326 nan 8.250 nan 0.000 0.459 279 F N -0.194 119.555 119.950 -0.334 0.000 2.613 279 F HA 0.300 4.827 4.527 0.000 0.000 0.310 279 F C -0.439 175.234 175.800 -0.213 0.000 1.085 279 F CA -1.509 56.342 58.000 -0.247 0.000 0.945 279 F CB 1.811 40.629 39.000 -0.304 0.000 1.298 279 F HN -0.301 nan 8.300 nan 0.000 0.455 280 V N -0.373 119.578 119.914 0.060 0.000 2.680 280 V HA 0.973 5.093 4.120 -0.000 0.000 0.309 280 V C -0.251 175.867 176.094 0.040 0.000 1.052 280 V CA -0.868 61.437 62.300 0.008 0.000 0.908 280 V CB 1.351 33.216 31.823 0.070 0.000 1.001 280 V HN 0.966 nan 8.190 nan 0.000 0.431 281 G N 1.716 110.519 108.800 0.006 0.000 2.329 281 G HA2 0.509 4.469 3.960 -0.000 0.000 0.309 281 G HA3 0.509 4.469 3.960 -0.000 0.000 0.309 281 G C 0.369 175.289 174.900 0.034 0.000 1.110 281 G CA 0.100 45.203 45.100 0.005 0.000 0.923 281 G HN 1.832 nan 8.290 nan 0.000 0.430 282 V N 0.844 120.787 119.914 0.048 0.000 3.444 282 V HA 0.713 4.833 4.120 -0.000 0.000 0.308 282 V C 0.803 176.918 176.094 0.034 0.000 1.371 282 V CA 0.502 62.836 62.300 0.057 0.000 1.141 282 V CB -0.553 31.317 31.823 0.080 0.000 1.037 282 V HN 1.203 nan 8.190 nan 0.000 0.433 283 G N -0.163 108.649 108.800 0.019 0.000 2.315 283 G HA2 0.257 4.217 3.960 -0.000 0.000 0.294 283 G HA3 0.257 4.217 3.960 -0.000 0.000 0.294 283 G C -0.741 174.162 174.900 0.005 0.000 1.300 283 G CA -0.253 44.856 45.100 0.015 0.000 0.843 283 G HN 0.061 nan 8.290 nan 0.000 0.527 284 E N -0.250 119.957 120.200 0.012 0.000 2.368 284 E HA 0.285 4.635 4.350 -0.000 0.000 0.188 284 E C 1.098 177.708 176.600 0.016 0.000 1.061 284 E CA 0.109 56.516 56.400 0.013 0.000 0.933 284 E CB 0.657 30.376 29.700 0.032 0.000 1.091 284 E HN 0.586 nan 8.360 nan 0.000 0.458 285 G N 1.417 110.223 108.800 0.010 0.000 2.502 285 G HA2 0.192 4.152 3.960 -0.000 0.000 0.305 285 G HA3 0.192 4.152 3.960 -0.000 0.000 0.305 285 G C -1.974 172.920 174.900 -0.010 0.000 1.190 285 G CA -1.187 43.922 45.100 0.015 0.000 0.933 285 G HN -0.142 nan 8.290 nan 0.000 0.503 286 P HA -0.038 nan 4.420 nan 0.000 0.215 286 P C 0.739 178.025 177.300 -0.023 0.000 1.157 286 P CA 1.058 64.142 63.100 -0.027 0.000 0.863 286 P CB 0.341 32.048 31.700 0.013 0.000 0.787 287 D N -1.623 118.784 120.400 0.013 0.000 2.342 287 D HA -0.007 4.633 4.640 -0.000 0.000 0.221 287 D C 0.751 177.072 176.300 0.036 0.000 1.101 287 D CA 0.277 54.298 54.000 0.034 0.000 0.837 287 D CB -0.470 40.368 40.800 0.062 0.000 0.938 287 D HN 0.047 nan 8.370 nan 0.000 0.508 288 D N 0.102 120.511 120.400 0.015 0.000 2.348 288 D HA -0.057 4.583 4.640 -0.000 0.000 0.216 288 D C 0.594 176.901 176.300 0.012 0.000 0.970 288 D CA 0.235 54.249 54.000 0.023 0.000 0.889 288 D CB 0.233 41.039 40.800 0.011 0.000 0.912 288 D HN 0.170 nan 8.370 nan 0.000 0.524 289 L N 1.913 123.120 121.223 -0.027 0.000 2.282 289 L HA 0.196 4.536 4.340 -0.000 0.000 0.287 289 L C -0.408 176.470 176.870 0.013 0.000 1.075 289 L CA -0.070 54.740 54.840 -0.051 0.000 0.839 289 L CB 0.343 42.293 42.059 -0.182 0.000 1.219 289 L HN -0.169 nan 8.230 nan 0.000 0.434 290 Q N 5.867 125.716 119.800 0.082 0.000 2.266 290 Q HA 0.519 4.859 4.340 -0.000 0.000 0.261 290 Q C -2.372 173.627 176.000 -0.002 0.000 0.985 290 Q CA -2.191 53.644 55.803 0.054 0.000 0.873 290 Q CB 1.170 29.930 28.738 0.037 0.000 1.306 290 Q HN 0.432 nan 8.270 nan 0.000 0.447 291 P HA -0.055 nan 4.420 nan 0.000 0.268 291 P C -1.048 176.044 177.300 -0.347 0.000 1.204 291 P CA -0.015 62.670 63.100 -0.691 0.000 0.768 291 P CB 0.252 31.615 31.700 -0.562 0.000 0.842 292 F N 3.428 123.088 119.950 -0.483 0.000 2.471 292 F HA 0.292 4.819 4.527 -0.000 0.000 0.353 292 F C 0.209 175.891 175.800 -0.198 0.000 1.113 292 F CA -0.013 57.820 58.000 -0.278 0.000 1.262 292 F CB 0.380 39.203 39.000 -0.294 0.000 1.146 292 F HN 0.221 nan 8.300 nan 0.000 0.578 293 D N 7.388 127.254 120.400 -0.890 0.000 2.479 293 D HA 0.370 5.010 4.640 -0.000 0.000 0.246 293 D C -2.292 173.469 176.300 -0.898 0.000 1.336 293 D CA -1.939 51.632 54.000 -0.714 0.000 0.967 293 D CB 1.962 42.580 40.800 -0.304 0.000 1.275 293 D HN 0.119 nan 8.370 nan 0.000 0.577 294 P HA -0.206 nan 4.420 nan 0.000 0.215 294 P C 1.076 178.309 177.300 -0.111 0.000 1.163 294 P CA 1.164 63.996 63.100 -0.446 0.000 0.894 294 P CB 0.341 31.941 31.700 -0.168 0.000 0.791 295 E N -0.457 119.678 120.200 -0.108 0.000 2.049 295 E HA -0.241 4.109 4.350 -0.000 0.000 0.198 295 E C 1.984 178.593 176.600 0.016 0.000 1.007 295 E CA 1.895 58.269 56.400 -0.042 0.000 0.809 295 E CB -1.040 28.611 29.700 -0.082 0.000 0.749 295 E HN 0.083 nan 8.360 nan 0.000 0.450 296 A N -0.133 122.700 122.820 0.022 0.000 1.877 296 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 296 A C 2.203 179.961 177.584 0.290 0.000 1.186 296 A CA 1.542 53.698 52.037 0.199 0.000 0.620 296 A CB -1.052 18.109 19.000 0.269 0.000 0.822 296 A HN 0.498 nan 8.150 nan 0.000 0.443 297 F N 0.856 120.834 119.950 0.046 0.000 2.095 297 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 297 F C 2.253 178.118 175.800 0.108 0.000 1.104 297 F CA 2.095 60.158 58.000 0.105 0.000 1.232 297 F CB -0.324 38.778 39.000 0.170 0.000 0.987 297 F HN 0.032 nan 8.300 nan 0.000 0.475 298 V N 0.199 120.203 119.914 0.149 0.000 2.407 298 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 298 V C 2.462 178.553 176.094 -0.004 0.000 1.055 298 V CA 2.016 64.345 62.300 0.050 0.000 1.049 298 V CB -0.655 31.230 31.823 0.103 0.000 0.662 298 V HN 0.291 nan 8.190 nan 0.000 0.455 299 E N 0.488 120.724 120.200 0.061 0.000 2.051 299 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 299 E C 2.359 178.968 176.600 0.015 0.000 0.991 299 E CA 1.575 58.034 56.400 0.098 0.000 0.799 299 E CB -0.448 29.423 29.700 0.285 0.000 0.748 299 E HN 0.551 nan 8.360 nan 0.000 0.449 300 A N 0.667 123.457 122.820 -0.050 0.000 2.121 300 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 300 A C 2.288 179.735 177.584 -0.228 0.000 1.154 300 A CA 0.689 52.597 52.037 -0.213 0.000 0.679 300 A CB -0.462 18.391 19.000 -0.245 0.000 0.795 300 A HN 0.190 nan 8.150 nan 0.000 0.458 301 L N -1.641 119.433 121.223 -0.249 0.000 2.179 301 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 301 L C 1.954 178.773 176.870 -0.085 0.000 1.096 301 L CA 0.643 55.352 54.840 -0.219 0.000 0.779 301 L CB -0.045 41.876 42.059 -0.229 0.000 0.922 301 L HN 0.332 nan 8.230 nan 0.000 0.443 302 L N -2.075 119.125 121.223 -0.040 0.000 2.500 302 L HA 0.183 4.523 4.340 -0.000 0.000 0.219 302 L C 0.760 177.644 176.870 0.023 0.000 1.057 302 L CA 0.699 55.559 54.840 0.035 0.000 0.854 302 L CB 0.084 42.183 42.059 0.067 0.000 1.078 302 L HN -0.016 nan 8.230 nan 0.000 0.480 303 E N -0.123 120.064 120.200 -0.022 0.000 2.232 303 E HA 0.365 4.715 4.350 -0.000 0.000 0.264 303 E C -0.657 175.894 176.600 -0.081 0.000 0.973 303 E CA -0.448 55.935 56.400 -0.029 0.000 0.849 303 E CB 1.339 31.035 29.700 -0.007 0.000 1.198 303 E HN 0.057 nan 8.360 nan 0.000 0.407 304 D N 0.000 120.361 120.400 -0.066 0.000 6.856 304 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 304 D CA 0.000 53.947 54.000 -0.089 0.000 0.868 304 D CB 0.000 40.699 40.800 -0.168 0.000 0.688 304 D HN 0.000 nan 8.370 nan 0.000 0.683