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 3ii0_1_C DATA FIRST_RESID 13 DATA SEQUENCE MQPVLVFKLT ADFREDPDPR KVNLGVGAYR TDDCHPWVLP VVKKVEQKIA DATA SEQUENCE NDNSLNHEYL PILGLAEFRS CASRLALGDD SPALKEKRVG GVQSLGGTGA DATA SEQUENCE LRIGADFLAR WYNGTNNKNT PVYVSSPTWE NHNAVFSAAG FKDIRSYRYW DATA SEQUENCE DAEKRGLDLQ GFLNDLENAP EFSIVVLHAC AHNPTGIDPT PEQWKQIASV DATA SEQUENCE MKHRFLFPFF DSAYQGFASG NLERDAWAIR YFVSEGFEFF CAQSFSKNFG DATA SEQUENCE LYNERVGNLT VVGKEPESIL QVLSQMEKIV RITWSNPPAQ GARIVASTLS DATA SEQUENCE NPELFEEWTG NVKTMADRIL TMRSELRARL EALKTPGTWN HITDQIGMFS DATA SEQUENCE FTGLNPKQVE YLVNEKHIYL LPSGRINVSG LTTKNLDYVA TSIHEAVTKI DATA SEQUENCE AENLYFQ 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 13 M HA 0.000 nan 4.480 nan 0.000 0.227 13 M C 0.000 176.288 176.300 -0.020 0.000 1.140 13 M CA 0.000 55.300 55.300 -0.000 0.000 0.988 13 M CB 0.000 32.607 32.600 0.012 0.000 1.302 14 Q N 4.499 124.274 119.800 -0.040 0.000 2.349 14 Q HA 0.140 4.479 4.340 -0.001 0.000 0.287 14 Q C -1.514 174.446 176.000 -0.066 0.000 1.044 14 Q CA -0.711 55.046 55.803 -0.076 0.000 0.918 14 Q CB 0.493 29.178 28.738 -0.088 0.000 1.242 14 Q HN 0.416 nan 8.270 nan 0.000 0.405 15 P HA 0.038 nan 4.420 nan 0.000 0.258 15 P C 0.235 177.443 177.300 -0.153 0.000 1.416 15 P CA 0.262 63.260 63.100 -0.170 0.000 0.927 15 P CB 0.139 31.716 31.700 -0.204 0.000 1.444 16 V N -3.696 116.178 119.914 -0.066 0.000 3.214 16 V HA 0.206 4.326 4.120 -0.001 0.000 0.330 16 V C 1.762 177.850 176.094 -0.010 0.000 1.403 16 V CA -0.236 62.063 62.300 -0.001 0.000 1.143 16 V CB -0.658 31.223 31.823 0.098 0.000 1.098 16 V HN -0.054 nan 8.190 nan 0.000 0.463 17 L N -0.104 121.080 121.223 -0.064 0.000 2.012 17 L HA -0.081 4.259 4.340 -0.001 0.000 0.210 17 L C 2.475 179.332 176.870 -0.021 0.000 1.073 17 L CA 2.227 57.049 54.840 -0.029 0.000 0.748 17 L CB -0.038 41.992 42.059 -0.047 0.000 0.891 17 L HN 0.289 nan 8.230 nan 0.000 0.431 18 V N -0.676 119.168 119.914 -0.117 0.000 2.515 18 V HA -0.267 3.853 4.120 -0.001 0.000 0.250 18 V C 2.087 178.195 176.094 0.024 0.000 1.058 18 V CA 1.840 64.084 62.300 -0.094 0.000 1.064 18 V CB -0.397 31.320 31.823 -0.177 0.000 0.675 18 V HN 0.463 nan 8.190 nan 0.000 0.461 19 F N -0.291 119.698 119.950 0.065 0.000 2.293 19 F HA -0.059 4.467 4.527 -0.000 0.000 0.297 19 F C 2.389 178.218 175.800 0.049 0.000 1.089 19 F CA 1.088 59.123 58.000 0.057 0.000 1.377 19 F CB -0.178 38.856 39.000 0.057 0.000 1.051 19 F HN 0.108 nan 8.300 nan 0.000 0.511 20 K N 1.480 122.009 120.400 0.215 0.000 2.057 20 K HA -0.126 4.193 4.320 -0.001 0.000 0.207 20 K C 1.852 178.533 176.600 0.135 0.000 1.049 20 K CA 1.293 57.666 56.287 0.143 0.000 0.931 20 K CB -0.713 31.851 32.500 0.106 0.000 0.714 20 K HN 0.235 nan 8.250 nan 0.000 0.440 21 L N 0.169 121.475 121.223 0.139 0.000 2.012 21 L HA -0.232 4.108 4.340 -0.001 0.000 0.210 21 L C 2.099 179.019 176.870 0.084 0.000 1.073 21 L CA 2.023 56.960 54.840 0.161 0.000 0.748 21 L CB -0.715 41.447 42.059 0.170 0.000 0.891 21 L HN 0.302 nan 8.230 nan 0.000 0.431 22 T N -0.288 114.328 114.554 0.104 0.000 2.720 22 T HA -0.191 4.159 4.350 -0.001 0.000 0.268 22 T C 1.915 176.679 174.700 0.108 0.000 1.037 22 T CA 1.299 63.456 62.100 0.095 0.000 1.144 22 T CB -0.249 68.705 68.868 0.144 0.000 0.864 22 T HN 0.478 nan 8.240 nan 0.000 0.444 23 A N 1.921 124.799 122.820 0.098 0.000 1.902 23 A HA -0.166 4.153 4.320 -0.001 0.000 0.217 23 A C 2.121 179.725 177.584 0.033 0.000 1.181 23 A CA 1.825 53.901 52.037 0.064 0.000 0.623 23 A CB -0.666 18.375 19.000 0.068 0.000 0.818 23 A HN 0.346 nan 8.150 nan 0.000 0.443 24 D N -1.074 119.350 120.400 0.040 0.000 2.097 24 D HA -0.133 4.506 4.640 -0.001 0.000 0.195 24 D C 1.607 177.832 176.300 -0.125 0.000 0.989 24 D CA 1.313 55.335 54.000 0.036 0.000 0.827 24 D CB -0.522 40.384 40.800 0.177 0.000 0.966 24 D HN 0.464 nan 8.370 nan 0.000 0.456 25 F N 2.039 121.619 119.950 -0.617 0.000 2.065 25 F HA -0.229 4.297 4.527 -0.001 0.000 0.298 25 F C 2.311 177.945 175.800 -0.277 0.000 1.112 25 F CA 1.701 59.233 58.000 -0.779 0.000 1.212 25 F CB -0.112 38.435 39.000 -0.756 0.000 0.975 25 F HN -0.195 nan 8.300 nan 0.000 0.476 26 R N -0.100 120.277 120.500 -0.205 0.000 2.105 26 R HA -0.148 4.192 4.340 -0.001 0.000 0.239 26 R C 2.199 178.381 176.300 -0.197 0.000 1.135 26 R CA 1.708 57.676 56.100 -0.220 0.000 0.967 26 R CB -0.618 29.662 30.300 -0.033 0.000 0.861 26 R HN 0.298 nan 8.270 nan 0.000 0.442 27 E N 0.404 120.531 120.200 -0.122 0.000 2.358 27 E HA -0.068 4.282 4.350 -0.001 0.000 0.195 27 E C 0.010 176.568 176.600 -0.070 0.000 1.010 27 E CA 0.173 56.531 56.400 -0.071 0.000 0.856 27 E CB -0.229 29.461 29.700 -0.017 0.000 0.795 27 E HN 0.263 nan 8.360 nan 0.000 0.504 28 D N 0.659 121.002 120.400 -0.095 0.000 2.401 28 D HA 0.007 4.646 4.640 -0.001 0.000 0.254 28 D C -1.553 174.690 176.300 -0.095 0.000 1.192 28 D CA -1.944 52.044 54.000 -0.019 0.000 0.885 28 D CB 1.480 42.333 40.800 0.087 0.000 1.147 28 D HN 0.093 nan 8.370 nan 0.000 0.478 29 P HA 0.004 nan 4.420 nan 0.000 0.240 29 P C 0.180 177.404 177.300 -0.127 0.000 1.190 29 P CA -0.079 62.967 63.100 -0.090 0.000 0.781 29 P CB 0.323 31.989 31.700 -0.057 0.000 0.931 30 D N 2.268 122.562 120.400 -0.176 0.000 2.401 30 D HA 0.012 4.652 4.640 -0.001 0.000 0.254 30 D C -1.269 174.901 176.300 -0.216 0.000 1.192 30 D CA -1.419 52.408 54.000 -0.288 0.000 0.885 30 D CB 1.212 41.579 40.800 -0.722 0.000 1.147 30 D HN 0.113 nan 8.370 nan 0.000 0.478 31 P HA 0.028 nan 4.420 nan 0.000 0.245 31 P C 0.795 178.002 177.300 -0.156 0.000 1.212 31 P CA 0.263 63.277 63.100 -0.144 0.000 0.774 31 P CB 0.301 31.930 31.700 -0.119 0.000 0.999 32 R N 0.779 121.161 120.500 -0.197 0.000 2.307 32 R HA 0.034 4.373 4.340 -0.001 0.000 0.199 32 R C 1.080 177.324 176.300 -0.094 0.000 1.000 32 R CA 0.105 56.036 56.100 -0.282 0.000 1.023 32 R CB -0.295 29.789 30.300 -0.359 0.000 0.908 32 R HN 0.379 nan 8.270 nan 0.000 0.473 33 K N 1.007 121.434 120.400 0.045 0.000 2.485 33 K HA 0.111 4.430 4.320 -0.001 0.000 0.277 33 K C -0.538 176.329 176.600 0.445 0.000 0.990 33 K CA 0.125 56.598 56.287 0.309 0.000 0.994 33 K CB 0.922 33.553 32.500 0.218 0.000 0.906 33 K HN -0.238 nan 8.250 nan 0.000 0.488 34 V N 2.133 122.394 119.914 0.578 0.000 2.623 34 V HA 0.098 4.218 4.120 -0.001 0.000 0.304 34 V C -0.950 175.258 176.094 0.190 0.000 1.054 34 V CA -1.096 61.435 62.300 0.385 0.000 0.882 34 V CB 1.679 33.652 31.823 0.250 0.000 1.002 34 V HN 0.869 nan 8.190 nan 0.000 0.424 35 N N 4.520 122.985 118.700 -0.391 0.000 2.439 35 N HA 0.379 5.119 4.740 -0.001 0.000 0.243 35 N C -0.093 175.276 175.510 -0.235 0.000 1.088 35 N CA -0.134 52.513 53.050 -0.672 0.000 0.940 35 N CB 0.753 38.366 38.487 -1.457 0.000 1.180 35 N HN 0.696 nan 8.380 nan 0.000 0.505 36 L N 2.185 123.376 121.223 -0.053 0.000 3.110 36 L HA 0.384 4.724 4.340 -0.001 0.000 0.266 36 L C 1.523 178.429 176.870 0.060 0.000 1.257 36 L CA -0.393 54.453 54.840 0.010 0.000 1.038 36 L CB 0.531 42.616 42.059 0.045 0.000 1.395 36 L HN 0.510 nan 8.230 nan 0.000 0.566 37 G N 0.076 108.900 108.800 0.040 0.000 2.558 37 G HA2 0.003 3.962 3.960 -0.001 0.000 0.218 37 G HA3 0.003 3.962 3.960 -0.001 0.000 0.218 37 G C 0.450 175.433 174.900 0.138 0.000 1.567 37 G CA -0.001 45.150 45.100 0.086 0.000 0.950 37 G HN -0.040 nan 8.290 nan 0.000 0.517 38 V N 1.896 121.876 119.914 0.110 0.000 2.788 38 V HA 0.422 4.542 4.120 -0.001 0.000 0.307 38 V C 1.280 177.511 176.094 0.228 0.000 1.069 38 V CA 0.435 62.838 62.300 0.172 0.000 1.173 38 V CB 0.974 32.898 31.823 0.169 0.000 0.925 38 V HN 0.529 nan 8.190 nan 0.000 0.492 39 G N 5.959 114.978 108.800 0.364 0.000 3.008 39 G HA2 0.523 4.482 3.960 -0.001 0.000 0.272 39 G HA3 0.523 4.482 3.960 -0.001 0.000 0.272 39 G C 0.001 175.029 174.900 0.213 0.000 0.764 39 G CA 0.357 45.605 45.100 0.248 0.000 2.029 39 G HN 1.405 nan 8.290 nan 0.000 0.587 40 A N 2.031 124.916 122.820 0.108 0.000 2.335 40 A HA 0.580 4.899 4.320 -0.001 0.000 0.304 40 A C -0.796 176.852 177.584 0.106 0.000 1.118 40 A CA -0.834 51.222 52.037 0.032 0.000 0.757 40 A CB 1.033 19.873 19.000 -0.266 0.000 1.188 40 A HN 0.536 nan 8.150 nan 0.000 0.460 41 Y N 3.036 123.455 120.300 0.199 0.000 2.597 41 Y HA 0.336 4.886 4.550 -0.001 0.000 0.336 41 Y C 0.434 176.423 175.900 0.149 0.000 1.216 41 Y CA 0.944 59.166 58.100 0.203 0.000 1.463 41 Y CB 0.456 39.139 38.460 0.373 0.000 1.303 41 Y HN 0.634 nan 8.280 nan 0.000 0.576 42 R N 2.815 122.866 120.500 -0.748 0.000 2.795 42 R HA 0.310 4.650 4.340 -0.001 0.000 0.275 42 R C -0.241 175.543 176.300 -0.861 0.000 0.981 42 R CA -0.542 55.235 56.100 -0.539 0.000 0.917 42 R CB 1.436 31.562 30.300 -0.291 0.000 1.202 42 R HN 0.840 nan 8.270 nan 0.000 0.469 43 T N -2.722 111.610 114.554 -0.371 0.000 2.754 43 T HA 0.029 4.379 4.350 -0.001 0.000 0.286 43 T C 0.952 175.498 174.700 -0.258 0.000 0.997 43 T CA -0.323 61.605 62.100 -0.288 0.000 0.982 43 T CB 0.627 69.422 68.868 -0.121 0.000 1.027 43 T HN 0.499 nan 8.240 nan 0.000 0.529 44 D N -0.571 119.713 120.400 -0.194 0.000 2.351 44 D HA -0.058 4.582 4.640 -0.001 0.000 0.216 44 D C 0.910 177.113 176.300 -0.161 0.000 0.968 44 D CA 0.740 54.647 54.000 -0.154 0.000 0.899 44 D CB -0.177 40.557 40.800 -0.110 0.000 0.907 44 D HN 0.510 nan 8.370 nan 0.000 0.514 45 D N -0.791 119.487 120.400 -0.204 0.000 2.342 45 D HA 0.014 4.653 4.640 -0.001 0.000 0.221 45 D C 0.521 176.505 176.300 -0.527 0.000 1.101 45 D CA 0.019 53.832 54.000 -0.312 0.000 0.837 45 D CB -0.058 40.573 40.800 -0.281 0.000 0.938 45 D HN 0.138 nan 8.370 nan 0.000 0.508 46 C N 2.449 121.539 119.300 -0.349 0.000 4.454 46 C HA -0.188 4.271 4.460 -0.001 0.000 0.301 46 C C -0.166 174.682 174.990 -0.237 0.000 1.366 46 C CA 0.008 58.867 59.018 -0.264 0.000 2.016 46 C CB -2.410 25.226 27.740 -0.174 0.000 1.253 46 C HN 0.383 nan 8.230 nan 0.000 0.770 47 H N -0.102 118.964 119.070 -0.007 0.000 2.616 47 H HA 0.525 5.081 4.556 -0.000 0.000 0.353 47 H C -2.103 173.272 175.328 0.078 0.000 1.170 47 H CA -2.016 54.059 56.048 0.044 0.000 1.212 47 H CB 0.824 30.631 29.762 0.075 0.000 1.653 47 H HN 0.147 nan 8.280 nan 0.000 0.537 48 P HA -0.098 nan 4.420 nan 0.000 0.267 48 P C -0.424 177.124 177.300 0.413 0.000 1.200 48 P CA 0.119 63.373 63.100 0.257 0.000 0.772 48 P CB 0.548 32.353 31.700 0.175 0.000 0.855 49 W N 4.520 125.981 121.300 0.269 0.000 2.336 49 W HA 0.361 5.021 4.660 -0.001 0.000 0.315 49 W C -1.321 175.342 176.519 0.240 0.000 1.016 49 W CA -0.714 56.795 57.345 0.274 0.000 1.318 49 W CB 0.725 30.428 29.460 0.405 0.000 1.247 49 W HN 0.012 nan 8.180 nan 0.000 0.414 50 V N 7.876 127.782 119.914 -0.013 0.000 2.479 50 V HA -0.010 4.109 4.120 -0.001 0.000 0.281 50 V C 0.525 176.246 176.094 -0.623 0.000 1.031 50 V CA -0.430 61.763 62.300 -0.178 0.000 1.038 50 V CB -0.080 31.702 31.823 -0.069 0.000 0.981 50 V HN 0.228 nan 8.190 nan 0.000 0.478 51 L N 9.206 130.050 121.223 -0.633 0.000 2.456 51 L HA 0.194 4.534 4.340 -0.001 0.000 0.272 51 L C -1.061 175.495 176.870 -0.524 0.000 1.189 51 L CA -1.008 53.269 54.840 -0.937 0.000 0.846 51 L CB 0.074 41.821 42.059 -0.520 0.000 1.111 51 L HN 0.382 nan 8.230 nan 0.000 0.475 52 P HA -0.191 nan 4.420 nan 0.000 0.216 52 P C 1.830 179.068 177.300 -0.104 0.000 1.153 52 P CA 0.959 63.954 63.100 -0.175 0.000 0.858 52 P CB 0.236 31.897 31.700 -0.065 0.000 0.789 53 V N -0.600 119.261 119.914 -0.089 0.000 2.515 53 V HA -0.168 3.951 4.120 -0.001 0.000 0.250 53 V C 2.172 178.257 176.094 -0.014 0.000 1.058 53 V CA 1.632 63.919 62.300 -0.021 0.000 1.064 53 V CB -0.785 31.053 31.823 0.026 0.000 0.675 53 V HN -0.095 nan 8.190 nan 0.000 0.461 54 V N -0.079 119.812 119.914 -0.038 0.000 2.358 54 V HA -0.225 3.895 4.120 -0.001 0.000 0.246 54 V C 2.461 178.537 176.094 -0.029 0.000 1.047 54 V CA 2.319 64.614 62.300 -0.009 0.000 1.035 54 V CB -0.652 31.174 31.823 0.006 0.000 0.658 54 V HN 0.542 nan 8.190 nan 0.000 0.452 55 K N 0.176 120.543 120.400 -0.056 0.000 2.026 55 K HA -0.218 4.102 4.320 -0.001 0.000 0.208 55 K C 2.270 178.856 176.600 -0.023 0.000 1.048 55 K CA 1.600 57.863 56.287 -0.039 0.000 0.929 55 K CB -0.235 32.237 32.500 -0.046 0.000 0.713 55 K HN 0.333 nan 8.250 nan 0.000 0.439 56 K N 1.061 121.449 120.400 -0.020 0.000 2.032 56 K HA -0.158 4.161 4.320 -0.001 0.000 0.209 56 K C 1.926 178.521 176.600 -0.008 0.000 1.048 56 K CA 1.419 57.701 56.287 -0.008 0.000 0.927 56 K CB 0.028 32.527 32.500 -0.002 0.000 0.712 56 K HN -0.062 nan 8.250 nan 0.000 0.441 57 V N 1.387 121.296 119.914 -0.008 0.000 2.453 57 V HA -0.156 3.963 4.120 -0.001 0.000 0.247 57 V C 1.932 178.013 176.094 -0.021 0.000 1.048 57 V CA 1.690 63.983 62.300 -0.012 0.000 1.049 57 V CB -0.338 31.480 31.823 -0.008 0.000 0.672 57 V HN 0.373 nan 8.190 nan 0.000 0.457 58 E N -0.462 119.726 120.200 -0.021 0.000 2.110 58 E HA -0.242 4.108 4.350 -0.001 0.000 0.193 58 E C 2.397 178.985 176.600 -0.019 0.000 0.988 58 E CA 1.080 57.466 56.400 -0.023 0.000 0.804 58 E CB -0.100 29.588 29.700 -0.019 0.000 0.745 58 E HN 0.502 nan 8.360 nan 0.000 0.458 59 Q N 0.784 120.575 119.800 -0.015 0.000 2.084 59 Q HA -0.140 4.199 4.340 -0.001 0.000 0.202 59 Q C 1.983 177.975 176.000 -0.014 0.000 0.978 59 Q CA 1.250 57.046 55.803 -0.012 0.000 0.844 59 Q CB -0.129 28.604 28.738 -0.008 0.000 0.898 59 Q HN 0.229 nan 8.270 nan 0.000 0.426 60 K N 0.262 120.653 120.400 -0.015 0.000 2.032 60 K HA -0.108 4.211 4.320 -0.001 0.000 0.209 60 K C 2.240 178.825 176.600 -0.025 0.000 1.048 60 K CA 1.157 57.433 56.287 -0.017 0.000 0.927 60 K CB -0.233 32.258 32.500 -0.015 0.000 0.712 60 K HN 0.163 nan 8.250 nan 0.000 0.441 61 I N 0.950 121.502 120.570 -0.030 0.000 2.163 61 I HA -0.313 3.856 4.170 -0.001 0.000 0.243 61 I C 2.519 178.615 176.117 -0.036 0.000 1.085 61 I CA 1.227 62.503 61.300 -0.040 0.000 1.347 61 I CB -0.452 37.521 38.000 -0.045 0.000 1.044 61 I HN 0.190 nan 8.210 nan 0.000 0.408 62 A N 0.864 123.669 122.820 -0.025 0.000 1.908 62 A HA -0.205 4.115 4.320 -0.001 0.000 0.218 62 A C 1.872 179.444 177.584 -0.020 0.000 1.181 62 A CA 1.913 53.940 52.037 -0.018 0.000 0.627 62 A CB -0.583 18.410 19.000 -0.011 0.000 0.818 62 A HN 0.449 nan 8.150 nan 0.000 0.445 63 N N 0.284 118.972 118.700 -0.020 0.000 2.398 63 N HA -0.003 4.736 4.740 -0.001 0.000 0.188 63 N C -0.425 175.071 175.510 -0.024 0.000 1.122 63 N CA 0.305 53.344 53.050 -0.019 0.000 0.866 63 N CB 0.057 38.536 38.487 -0.014 0.000 0.970 63 N HN 0.398 nan 8.380 nan 0.000 0.462 64 D N 0.587 120.967 120.400 -0.032 0.000 2.441 64 D HA 0.073 4.713 4.640 -0.001 0.000 0.221 64 D C 0.692 176.963 176.300 -0.047 0.000 1.156 64 D CA -0.270 53.707 54.000 -0.038 0.000 0.896 64 D CB 0.192 40.965 40.800 -0.045 0.000 1.028 64 D HN -0.126 nan 8.370 nan 0.000 0.509 65 N N 1.454 120.130 118.700 -0.039 0.000 2.515 65 N HA -0.143 4.597 4.740 -0.001 0.000 0.185 65 N C 1.495 176.976 175.510 -0.049 0.000 1.109 65 N CA 0.822 53.847 53.050 -0.041 0.000 0.903 65 N CB 0.202 38.672 38.487 -0.029 0.000 0.969 65 N HN 0.301 nan 8.380 nan 0.000 0.450 66 S N -0.804 114.866 115.700 -0.049 0.000 2.489 66 S HA 0.062 4.532 4.470 -0.001 0.000 0.228 66 S C 0.718 175.275 174.600 -0.072 0.000 0.995 66 S CA -0.121 58.049 58.200 -0.051 0.000 0.934 66 S CB -0.294 62.882 63.200 -0.041 0.000 0.771 66 S HN 0.180 nan 8.310 nan 0.000 0.522 67 L N 3.255 124.421 121.223 -0.094 0.000 2.380 67 L HA 0.379 4.719 4.340 -0.001 0.000 0.273 67 L C 0.283 177.035 176.870 -0.197 0.000 1.138 67 L CA -0.618 54.141 54.840 -0.136 0.000 0.832 67 L CB 0.313 42.281 42.059 -0.151 0.000 1.124 67 L HN 0.445 nan 8.230 nan 0.000 0.454 68 N N -0.144 118.430 118.700 -0.209 0.000 2.815 68 N HA 0.290 5.030 4.740 -0.001 0.000 0.315 68 N C -0.157 175.145 175.510 -0.346 0.000 1.320 68 N CA -0.745 52.165 53.050 -0.234 0.000 0.846 68 N CB 0.647 39.071 38.487 -0.106 0.000 1.344 68 N HN 0.366 nan 8.380 nan 0.000 0.593 69 H N -1.183 117.852 119.070 -0.059 0.000 2.486 69 H HA 0.300 4.856 4.556 -0.001 0.000 0.284 69 H C -0.463 174.804 175.328 -0.102 0.000 1.103 69 H CA -0.275 55.728 56.048 -0.074 0.000 1.089 69 H CB 0.215 29.928 29.762 -0.082 0.000 1.603 69 H HN 0.493 nan 8.280 nan 0.000 0.557 70 E N 0.745 120.939 120.200 -0.009 0.000 2.404 70 E HA -0.015 4.334 4.350 -0.001 0.000 0.261 70 E C -0.139 176.470 176.600 0.015 0.000 1.074 70 E CA -0.280 56.094 56.400 -0.043 0.000 0.917 70 E CB 0.700 30.392 29.700 -0.012 0.000 0.965 70 E HN 0.163 nan 8.360 nan 0.000 0.433 71 Y N 0.932 121.252 120.300 0.034 0.000 2.895 71 Y HA -0.134 4.415 4.550 -0.000 0.000 0.334 71 Y C 1.135 177.050 175.900 0.026 0.000 1.261 71 Y CA 0.451 58.571 58.100 0.033 0.000 1.560 71 Y CB -0.183 38.297 38.460 0.033 0.000 1.253 71 Y HN 0.257 nan 8.280 nan 0.000 0.582 72 L N 6.200 127.542 121.223 0.199 0.000 2.473 72 L HA 0.156 4.496 4.340 -0.001 0.000 0.268 72 L C -1.791 175.143 176.870 0.106 0.000 1.215 72 L CA -1.899 53.011 54.840 0.116 0.000 0.823 72 L CB -0.015 42.092 42.059 0.080 0.000 1.099 72 L HN 0.454 nan 8.230 nan 0.000 0.483 73 P HA 0.050 nan 4.420 nan 0.000 0.268 73 P C 0.910 178.241 177.300 0.053 0.000 1.208 73 P CA -0.086 63.043 63.100 0.049 0.000 0.777 73 P CB 0.551 32.275 31.700 0.039 0.000 0.875 74 I N 0.735 121.321 120.570 0.026 0.000 2.145 74 I HA -0.300 3.869 4.170 -0.001 0.000 0.244 74 I C 1.892 178.055 176.117 0.077 0.000 1.075 74 I CA 1.765 63.084 61.300 0.032 0.000 1.332 74 I CB -0.493 37.501 38.000 -0.011 0.000 1.033 74 I HN 0.374 nan 8.210 nan 0.000 0.410 75 L N -0.141 121.118 121.223 0.061 0.000 2.395 75 L HA 0.149 4.489 4.340 -0.001 0.000 0.218 75 L C 1.112 178.052 176.870 0.117 0.000 1.130 75 L CA 0.460 55.348 54.840 0.079 0.000 0.826 75 L CB -0.766 41.315 42.059 0.038 0.000 0.941 75 L HN 0.544 nan 8.230 nan 0.000 0.451 76 G N 0.053 108.917 108.800 0.107 0.000 2.422 76 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.607 76 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.607 76 G C -1.259 173.696 174.900 0.092 0.000 1.270 76 G CA -0.781 44.385 45.100 0.110 0.000 0.992 76 G HN -0.093 nan 8.290 nan 0.000 0.499 77 L N 1.354 122.631 121.223 0.090 0.000 2.477 77 L HA 0.598 4.938 4.340 -0.001 0.000 0.272 77 L C 1.929 178.863 176.870 0.107 0.000 1.157 77 L CA 1.485 56.371 54.840 0.077 0.000 0.889 77 L CB 0.676 42.758 42.059 0.038 0.000 1.158 77 L HN 1.651 nan 8.230 nan 0.000 0.473 78 A N 3.999 126.851 122.820 0.053 0.000 1.898 78 A HA -0.160 4.160 4.320 -0.001 0.000 0.216 78 A C 2.043 179.634 177.584 0.011 0.000 1.181 78 A CA 1.551 53.605 52.037 0.028 0.000 0.620 78 A CB -0.502 18.503 19.000 0.007 0.000 0.819 78 A HN 0.919 nan 8.150 nan 0.000 0.442 79 E N -1.285 118.924 120.200 0.016 0.000 2.106 79 E HA -0.185 4.164 4.350 -0.001 0.000 0.192 79 E C 1.740 178.331 176.600 -0.015 0.000 0.984 79 E CA 1.228 57.623 56.400 -0.009 0.000 0.806 79 E CB -0.251 29.444 29.700 -0.009 0.000 0.750 79 E HN 0.610 nan 8.360 nan 0.000 0.458 80 F N 1.595 121.476 119.950 -0.114 0.000 2.102 80 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 80 F C 2.169 177.897 175.800 -0.120 0.000 1.105 80 F CA 1.635 59.536 58.000 -0.165 0.000 1.239 80 F CB -0.152 38.736 39.000 -0.187 0.000 0.991 80 F HN -0.131 nan 8.300 nan 0.000 0.474 81 R N 0.157 120.522 120.500 -0.225 0.000 2.105 81 R HA -0.132 4.208 4.340 -0.001 0.000 0.239 81 R C 2.388 178.518 176.300 -0.283 0.000 1.135 81 R CA 1.705 57.617 56.100 -0.314 0.000 0.967 81 R CB -0.701 29.562 30.300 -0.062 0.000 0.861 81 R HN 0.276 nan 8.270 nan 0.000 0.442 82 S N 0.049 115.639 115.700 -0.183 0.000 2.355 82 S HA -0.152 4.318 4.470 -0.001 0.000 0.222 82 S C 2.150 176.659 174.600 -0.151 0.000 1.031 82 S CA 1.169 59.288 58.200 -0.136 0.000 0.993 82 S CB -0.288 62.858 63.200 -0.090 0.000 0.859 82 S HN 0.420 nan 8.310 nan 0.000 0.453 83 C N 1.838 121.026 119.300 -0.187 0.000 2.446 83 C HA 0.054 4.514 4.460 -0.001 0.000 0.277 83 C C 3.098 177.989 174.990 -0.166 0.000 1.275 83 C CA 0.427 59.350 59.018 -0.158 0.000 1.727 83 C CB -1.542 26.101 27.740 -0.161 0.000 2.010 83 C HN 0.670 nan 8.230 nan 0.000 0.486 84 A N 0.609 123.219 122.820 -0.350 0.000 1.851 84 A HA -0.209 4.111 4.320 -0.001 0.000 0.216 84 A C 2.274 179.833 177.584 -0.042 0.000 1.195 84 A CA 2.569 54.483 52.037 -0.206 0.000 0.622 84 A CB -1.067 17.605 19.000 -0.546 0.000 0.831 84 A HN 0.552 nan 8.150 nan 0.000 0.444 85 S N -1.067 114.565 115.700 -0.114 0.000 2.400 85 S HA -0.166 4.304 4.470 -0.001 0.000 0.232 85 S C 2.064 176.645 174.600 -0.031 0.000 1.025 85 S CA 1.395 59.555 58.200 -0.066 0.000 0.993 85 S CB -0.323 62.820 63.200 -0.094 0.000 0.808 85 S HN 0.592 nan 8.310 nan 0.000 0.478 86 R N 0.439 120.918 120.500 -0.034 0.000 2.092 86 R HA -0.014 4.325 4.340 -0.001 0.000 0.231 86 R C 2.285 178.612 176.300 0.044 0.000 1.119 86 R CA 0.929 57.021 56.100 -0.012 0.000 0.970 86 R CB -0.365 29.914 30.300 -0.035 0.000 0.864 86 R HN 0.325 nan 8.270 nan 0.000 0.440 87 L N 0.515 121.799 121.223 0.102 0.000 2.079 87 L HA -0.104 4.236 4.340 -0.001 0.000 0.210 87 L C 2.109 179.077 176.870 0.164 0.000 1.081 87 L CA 2.164 57.132 54.840 0.213 0.000 0.752 87 L CB -0.502 41.763 42.059 0.343 0.000 0.896 87 L HN 0.196 nan 8.230 nan 0.000 0.433 88 A N -0.883 121.999 122.820 0.103 0.000 1.874 88 A HA -0.020 4.300 4.320 -0.001 0.000 0.214 88 A C 2.130 179.726 177.584 0.020 0.000 1.189 88 A CA 1.614 53.684 52.037 0.055 0.000 0.615 88 A CB -0.642 18.374 19.000 0.026 0.000 0.830 88 A HN 0.457 nan 8.150 nan 0.000 0.443 89 L N -1.140 120.088 121.223 0.008 0.000 2.446 89 L HA 0.300 4.639 4.340 -0.001 0.000 0.219 89 L C 1.143 178.013 176.870 -0.000 0.000 1.116 89 L CA 0.365 55.201 54.840 -0.007 0.000 0.844 89 L CB -0.758 41.288 42.059 -0.022 0.000 0.970 89 L HN 0.595 nan 8.230 nan 0.000 0.457 90 G N 0.496 109.307 108.800 0.018 0.000 2.721 90 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.686 90 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.686 90 G C -0.075 174.822 174.900 -0.004 0.000 1.236 90 G CA -0.338 44.773 45.100 0.018 0.000 0.786 90 G HN 0.107 nan 8.290 nan 0.000 0.616 91 D N 0.607 120.998 120.400 -0.015 0.000 2.158 91 D HA -0.125 4.514 4.640 -0.001 0.000 0.197 91 D C 1.918 178.202 176.300 -0.025 0.000 0.995 91 D CA 1.892 55.872 54.000 -0.033 0.000 0.846 91 D CB -0.006 40.763 40.800 -0.051 0.000 0.941 91 D HN 0.751 nan 8.370 nan 0.000 0.456 92 D N -0.122 120.269 120.400 -0.015 0.000 2.325 92 D HA -0.028 4.612 4.640 -0.001 0.000 0.225 92 D C 0.265 176.557 176.300 -0.013 0.000 1.096 92 D CA -0.139 53.853 54.000 -0.012 0.000 0.844 92 D CB -0.358 40.440 40.800 -0.005 0.000 0.925 92 D HN -0.186 nan 8.370 nan 0.000 0.513 93 S N 1.461 117.152 115.700 -0.015 0.000 2.546 93 S HA 0.069 4.539 4.470 -0.001 0.000 0.290 93 S C -1.407 173.183 174.600 -0.017 0.000 1.290 93 S CA -0.877 57.312 58.200 -0.017 0.000 1.069 93 S CB 1.180 64.368 63.200 -0.020 0.000 0.846 93 S HN -0.079 nan 8.310 nan 0.000 0.495 94 P HA 0.012 nan 4.420 nan 0.000 0.220 94 P C 1.263 178.555 177.300 -0.014 0.000 1.148 94 P CA 1.238 64.330 63.100 -0.014 0.000 0.803 94 P CB -0.080 31.611 31.700 -0.014 0.000 0.782 95 A N -0.255 122.556 122.820 -0.014 0.000 1.902 95 A HA -0.160 4.160 4.320 -0.001 0.000 0.217 95 A C 2.216 179.783 177.584 -0.029 0.000 1.181 95 A CA 1.448 53.473 52.037 -0.020 0.000 0.623 95 A CB -1.604 17.380 19.000 -0.026 0.000 0.818 95 A HN 0.129 nan 8.150 nan 0.000 0.443 96 L N -0.953 120.252 121.223 -0.031 0.000 2.072 96 L HA -0.155 4.185 4.340 -0.001 0.000 0.205 96 L C 2.578 179.431 176.870 -0.028 0.000 1.079 96 L CA 1.546 56.365 54.840 -0.034 0.000 0.752 96 L CB -0.442 41.595 42.059 -0.036 0.000 0.906 96 L HN 0.327 nan 8.230 nan 0.000 0.436 97 K N 0.302 120.688 120.400 -0.023 0.000 2.103 97 K HA -0.193 4.126 4.320 -0.001 0.000 0.207 97 K C 1.669 178.259 176.600 -0.017 0.000 1.048 97 K CA 1.433 57.708 56.287 -0.019 0.000 0.930 97 K CB -0.063 32.428 32.500 -0.016 0.000 0.716 97 K HN 0.363 nan 8.250 nan 0.000 0.444 98 E N 0.574 120.764 120.200 -0.017 0.000 2.502 98 E HA -0.011 4.338 4.350 -0.001 0.000 0.194 98 E C -0.525 176.065 176.600 -0.016 0.000 1.062 98 E CA 0.021 56.413 56.400 -0.014 0.000 0.867 98 E CB 0.143 29.837 29.700 -0.010 0.000 0.888 98 E HN 0.109 nan 8.360 nan 0.000 0.510 99 K N 0.608 120.995 120.400 -0.022 0.000 3.077 99 K HA -0.244 4.076 4.320 -0.001 0.000 0.264 99 K C 0.178 176.762 176.600 -0.026 0.000 1.008 99 K CA 0.752 57.024 56.287 -0.026 0.000 0.740 99 K CB -1.240 31.247 32.500 -0.023 0.000 1.273 99 K HN 0.292 nan 8.250 nan 0.000 0.477 100 R N -0.881 119.602 120.500 -0.028 0.000 2.700 100 R HA 0.251 4.591 4.340 -0.001 0.000 0.377 100 R C -0.423 175.850 176.300 -0.045 0.000 1.130 100 R CA -0.599 55.485 56.100 -0.026 0.000 1.055 100 R CB 0.601 30.894 30.300 -0.011 0.000 1.387 100 R HN -0.028 nan 8.270 nan 0.000 0.580 101 V N 0.358 120.238 119.914 -0.058 0.000 2.604 101 V HA 0.707 4.827 4.120 -0.001 0.000 0.305 101 V C 0.192 176.236 176.094 -0.084 0.000 1.043 101 V CA -0.757 61.493 62.300 -0.083 0.000 0.888 101 V CB 1.854 33.625 31.823 -0.087 0.000 0.995 101 V HN 0.439 nan 8.190 nan 0.000 0.429 102 G N 1.782 110.518 108.800 -0.106 0.000 2.498 102 G HA2 0.752 4.712 3.960 -0.001 0.000 0.312 102 G HA3 0.752 4.712 3.960 -0.001 0.000 0.312 102 G C -0.544 174.281 174.900 -0.126 0.000 1.230 102 G CA -0.587 44.448 45.100 -0.110 0.000 0.968 102 G HN 1.097 nan 8.290 nan 0.000 0.481 103 G N -0.920 107.818 108.800 -0.103 0.000 2.707 103 G HA2 0.541 4.500 3.960 -0.001 0.000 0.299 103 G HA3 0.541 4.500 3.960 -0.001 0.000 0.299 103 G C -1.409 173.462 174.900 -0.048 0.000 1.442 103 G CA -0.362 44.683 45.100 -0.091 0.000 1.009 103 G HN 0.795 nan 8.290 nan 0.000 0.515 104 V N 2.525 122.424 119.914 -0.024 0.000 2.378 104 V HA 0.340 4.460 4.120 -0.001 0.000 0.288 104 V C 0.410 176.601 176.094 0.160 0.000 1.016 104 V CA -0.782 61.548 62.300 0.049 0.000 0.840 104 V CB 1.326 33.155 31.823 0.010 0.000 0.994 104 V HN 0.877 nan 8.190 nan 0.000 0.431 105 Q N 3.282 123.223 119.800 0.235 0.000 2.330 105 Q HA 0.346 4.685 4.340 -0.001 0.000 0.279 105 Q C 0.140 176.321 176.000 0.302 0.000 1.024 105 Q CA 0.207 56.213 55.803 0.338 0.000 0.900 105 Q CB 0.802 29.711 28.738 0.284 0.000 1.221 105 Q HN 0.986 nan 8.270 nan 0.000 0.396 106 S N 3.322 119.164 115.700 0.236 0.000 2.661 106 S HA 0.430 4.900 4.470 -0.001 0.000 0.285 106 S C -0.671 173.828 174.600 -0.170 0.000 1.138 106 S CA -1.051 57.248 58.200 0.164 0.000 0.855 106 S CB 0.920 64.298 63.200 0.297 0.000 1.136 106 S HN 0.586 nan 8.310 nan 0.000 0.484 107 L N 2.913 123.827 121.223 -0.516 0.000 2.395 107 L HA 0.409 4.748 4.340 -0.001 0.000 0.268 107 L C 1.480 178.271 176.870 -0.131 0.000 1.223 107 L CA 1.661 56.224 54.840 -0.463 0.000 1.093 107 L CB -1.108 40.519 42.059 -0.720 0.000 1.349 107 L HN 1.295 nan 8.230 nan 0.000 0.427 108 G N 2.617 111.384 108.800 -0.055 0.000 2.749 108 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.242 108 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.242 108 G C 0.937 175.880 174.900 0.071 0.000 1.364 108 G CA -0.192 44.924 45.100 0.026 0.000 0.888 108 G HN 0.690 nan 8.290 nan 0.000 0.566 109 G N -1.642 107.185 108.800 0.044 0.000 2.422 109 G HA2 0.019 3.979 3.960 -0.001 0.000 0.218 109 G HA3 0.019 3.979 3.960 -0.001 0.000 0.218 109 G C 1.873 176.868 174.900 0.158 0.000 1.146 109 G CA 2.355 47.489 45.100 0.056 0.000 0.769 109 G HN 1.183 nan 8.290 nan 0.000 0.547 110 T N 0.952 115.630 114.554 0.207 0.000 2.708 110 T HA -0.064 4.285 4.350 -0.001 0.000 0.266 110 T C 2.509 177.367 174.700 0.263 0.000 1.037 110 T CA 1.525 63.812 62.100 0.311 0.000 1.146 110 T CB -0.599 68.474 68.868 0.343 0.000 0.865 110 T HN 0.353 nan 8.240 nan 0.000 0.435 111 G N 0.909 109.849 108.800 0.234 0.000 2.422 111 G HA2 -0.009 3.950 3.960 -0.001 0.000 0.218 111 G HA3 -0.009 3.950 3.960 -0.001 0.000 0.218 111 G C 1.816 176.956 174.900 0.401 0.000 1.146 111 G CA 0.876 46.188 45.100 0.353 0.000 0.769 111 G HN 0.581 nan 8.290 nan 0.000 0.547 112 A N 0.546 123.546 122.820 0.300 0.000 1.902 112 A HA 0.115 4.435 4.320 -0.001 0.000 0.217 112 A C 2.424 180.209 177.584 0.335 0.000 1.181 112 A CA 1.177 53.389 52.037 0.293 0.000 0.623 112 A CB -0.388 18.757 19.000 0.242 0.000 0.818 112 A HN 0.350 nan 8.150 nan 0.000 0.443 113 L N -1.191 120.204 121.223 0.287 0.000 2.017 113 L HA -0.191 4.148 4.340 -0.001 0.000 0.208 113 L C 2.790 179.730 176.870 0.116 0.000 1.073 113 L CA 1.741 56.694 54.840 0.188 0.000 0.745 113 L CB -0.382 41.752 42.059 0.124 0.000 0.894 113 L HN 0.367 nan 8.230 nan 0.000 0.432 114 R N 0.542 121.126 120.500 0.140 0.000 2.073 114 R HA -0.142 4.197 4.340 -0.001 0.000 0.234 114 R C 2.066 178.439 176.300 0.121 0.000 1.134 114 R CA 1.652 57.803 56.100 0.087 0.000 0.952 114 R CB -0.531 29.855 30.300 0.143 0.000 0.850 114 R HN 0.131 nan 8.270 nan 0.000 0.433 115 I N 0.241 120.915 120.570 0.172 0.000 2.179 115 I HA -0.112 4.057 4.170 -0.001 0.000 0.242 115 I C 2.237 178.487 176.117 0.222 0.000 1.088 115 I CA 1.859 63.236 61.300 0.129 0.000 1.357 115 I CB -1.769 36.287 38.000 0.094 0.000 1.051 115 I HN 0.411 nan 8.210 nan 0.000 0.409 116 G N 0.517 109.505 108.800 0.313 0.000 2.421 116 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.216 116 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.216 116 G C 1.857 177.173 174.900 0.692 0.000 1.171 116 G CA 1.075 46.469 45.100 0.490 0.000 0.775 116 G HN 0.497 nan 8.290 nan 0.000 0.543 117 A N 0.933 124.050 122.820 0.495 0.000 1.902 117 A HA -0.058 4.262 4.320 -0.001 0.000 0.217 117 A C 2.110 179.916 177.584 0.370 0.000 1.181 117 A CA 2.082 54.324 52.037 0.343 0.000 0.623 117 A CB -0.438 18.348 19.000 -0.356 0.000 0.818 117 A HN 0.277 nan 8.150 nan 0.000 0.443 118 D N -1.118 119.414 120.400 0.221 0.000 2.123 118 D HA -0.145 4.495 4.640 -0.001 0.000 0.196 118 D C 1.626 178.026 176.300 0.166 0.000 0.992 118 D CA 1.333 55.404 54.000 0.117 0.000 0.833 118 D CB -0.400 40.444 40.800 0.074 0.000 0.954 118 D HN 0.506 nan 8.370 nan 0.000 0.455 119 F N 1.275 121.341 119.950 0.194 0.000 2.102 119 F HA -0.126 4.400 4.527 -0.001 0.000 0.298 119 F C 2.169 178.145 175.800 0.294 0.000 1.105 119 F CA 1.126 59.300 58.000 0.289 0.000 1.239 119 F CB -0.239 38.977 39.000 0.361 0.000 0.991 119 F HN -0.128 nan 8.300 nan 0.000 0.474 120 L N 0.137 121.627 121.223 0.444 0.000 2.083 120 L HA -0.171 4.169 4.340 -0.001 0.000 0.209 120 L C 2.709 179.720 176.870 0.235 0.000 1.083 120 L CA 1.093 56.127 54.840 0.323 0.000 0.752 120 L CB -1.182 41.085 42.059 0.347 0.000 0.899 120 L HN 0.255 nan 8.230 nan 0.000 0.433 121 A N -0.255 122.627 122.820 0.103 0.000 2.119 121 A HA -0.102 4.218 4.320 -0.001 0.000 0.217 121 A C 2.345 179.717 177.584 -0.354 0.000 1.153 121 A CA 1.068 52.911 52.037 -0.322 0.000 0.692 121 A CB -0.290 18.303 19.000 -0.679 0.000 0.799 121 A HN 0.355 nan 8.150 nan 0.000 0.458 122 R N -2.926 117.307 120.500 -0.444 0.000 2.167 122 R HA 0.068 4.408 4.340 -0.001 0.000 0.201 122 R C 1.044 176.775 176.300 -0.949 0.000 1.024 122 R CA 0.932 56.526 56.100 -0.843 0.000 1.053 122 R CB 0.006 29.576 30.300 -1.217 0.000 0.987 122 R HN 0.708 nan 8.270 nan 0.000 0.493 123 W N -1.514 119.576 121.300 -0.349 0.000 2.725 123 W HA 0.241 4.901 4.660 -0.001 0.000 0.336 123 W C -0.218 176.189 176.519 -0.187 0.000 1.012 123 W CA -0.789 56.338 57.345 -0.363 0.000 1.566 123 W CB 0.564 29.598 29.460 -0.712 0.000 1.068 123 W HN -0.098 nan 8.180 nan 0.000 0.546 124 Y N 2.393 122.651 120.300 -0.069 0.000 2.342 124 Y HA 0.341 4.890 4.550 -0.001 0.000 0.334 124 Y C 0.851 176.729 175.900 -0.037 0.000 1.067 124 Y CA -1.231 56.847 58.100 -0.037 0.000 1.128 124 Y CB 0.739 39.148 38.460 -0.085 0.000 1.200 124 Y HN 0.032 nan 8.280 nan 0.000 0.464 125 N N 3.135 121.318 118.700 -0.863 0.000 2.758 125 N HA -0.123 4.617 4.740 -0.001 0.000 0.248 125 N C -0.410 174.897 175.510 -0.338 0.000 1.076 125 N CA 1.601 54.208 53.050 -0.738 0.000 0.696 125 N CB -1.190 36.854 38.487 -0.738 0.000 0.979 125 N HN 1.570 nan 8.380 nan 0.000 0.550 126 G N -2.443 106.212 108.800 -0.242 0.000 2.362 126 G HA2 0.062 4.021 3.960 -0.001 0.000 0.517 126 G HA3 0.062 4.021 3.960 -0.001 0.000 0.517 126 G C -0.874 173.972 174.900 -0.091 0.000 1.256 126 G CA -0.236 44.782 45.100 -0.137 0.000 1.027 126 G HN 0.541 nan 8.290 nan 0.000 0.491 127 T N 1.779 116.279 114.554 -0.091 0.000 2.770 127 T HA 0.566 4.915 4.350 -0.001 0.000 0.283 127 T C 0.388 174.964 174.700 -0.206 0.000 0.988 127 T CA 0.181 62.197 62.100 -0.140 0.000 0.957 127 T CB 0.912 69.737 68.868 -0.071 0.000 0.930 127 T HN 1.057 nan 8.240 nan 0.000 0.443 128 N N 2.607 121.115 118.700 -0.320 0.000 2.714 128 N HA -0.165 4.574 4.740 -0.001 0.000 0.253 128 N C -0.586 174.807 175.510 -0.195 0.000 1.024 128 N CA 0.342 53.217 53.050 -0.292 0.000 0.726 128 N CB -0.875 37.453 38.487 -0.265 0.000 0.908 128 N HN 0.564 nan 8.380 nan 0.000 0.542 129 N N 1.228 119.835 118.700 -0.155 0.000 2.558 129 N HA 0.115 4.855 4.740 -0.001 0.000 0.233 129 N C 0.711 176.192 175.510 -0.050 0.000 1.038 129 N CA -0.305 52.701 53.050 -0.075 0.000 0.934 129 N CB 0.534 38.999 38.487 -0.037 0.000 1.175 129 N HN 0.007 nan 8.380 nan 0.000 0.512 130 K N 1.849 122.197 120.400 -0.087 0.000 2.444 130 K HA 0.150 4.469 4.320 -0.001 0.000 0.193 130 K C 0.186 176.852 176.600 0.111 0.000 1.024 130 K CA 0.129 56.341 56.287 -0.125 0.000 1.077 130 K CB 0.352 32.753 32.500 -0.166 0.000 0.833 130 K HN 0.426 nan 8.250 nan 0.000 0.517 131 N N 0.654 119.431 118.700 0.128 0.000 2.299 131 N HA -0.016 4.724 4.740 -0.001 0.000 0.187 131 N C -0.259 175.375 175.510 0.207 0.000 1.099 131 N CA 0.204 53.343 53.050 0.149 0.000 0.867 131 N CB 0.248 38.786 38.487 0.084 0.000 0.974 131 N HN -0.031 nan 8.380 nan 0.000 0.477 132 T N 3.719 118.444 114.554 0.285 0.000 2.792 132 T HA 0.069 4.419 4.350 -0.001 0.000 0.286 132 T C -2.391 172.458 174.700 0.247 0.000 0.970 132 T CA -0.597 61.682 62.100 0.299 0.000 1.187 132 T CB 0.617 69.728 68.868 0.406 0.000 0.915 132 T HN 0.058 nan 8.240 nan 0.000 0.529 133 P HA 0.166 nan 4.420 nan 0.000 0.266 133 P C -0.841 176.491 177.300 0.053 0.000 1.195 133 P CA -0.260 62.905 63.100 0.109 0.000 0.768 133 P CB 0.475 32.277 31.700 0.170 0.000 0.838 134 V N 4.619 124.463 119.914 -0.117 0.000 2.378 134 V HA 0.279 4.399 4.120 -0.001 0.000 0.288 134 V C -0.668 175.298 176.094 -0.213 0.000 1.016 134 V CA -0.451 61.714 62.300 -0.226 0.000 0.840 134 V CB 0.599 32.122 31.823 -0.500 0.000 0.994 134 V HN 0.395 nan 8.190 nan 0.000 0.431 135 Y N 3.981 124.226 120.300 -0.092 0.000 2.328 135 Y HA 0.640 5.190 4.550 -0.001 0.000 0.337 135 Y C 0.308 176.204 175.900 -0.007 0.000 1.008 135 Y CA -0.551 57.570 58.100 0.035 0.000 1.129 135 Y CB 2.020 40.616 38.460 0.227 0.000 1.185 135 Y HN 0.556 nan 8.280 nan 0.000 0.476 136 V N 0.143 120.043 119.914 -0.023 0.000 2.960 136 V HA 0.750 4.869 4.120 -0.001 0.000 0.315 136 V C -0.091 175.594 176.094 -0.682 0.000 1.087 136 V CA -1.205 60.977 62.300 -0.197 0.000 0.982 136 V CB 1.555 33.297 31.823 -0.136 0.000 1.039 136 V HN 0.752 nan 8.190 nan 0.000 0.437 137 S N 1.802 116.989 115.700 -0.855 0.000 2.585 137 S HA 0.396 4.865 4.470 -0.001 0.000 0.273 137 S C 0.253 174.558 174.600 -0.491 0.000 1.339 137 S CA 0.140 57.638 58.200 -1.169 0.000 1.028 137 S CB 1.109 63.840 63.200 -0.782 0.000 0.906 137 S HN 1.545 nan 8.310 nan 0.000 0.528 138 S N 3.634 119.121 115.700 -0.355 0.000 2.461 138 S HA 0.522 4.992 4.470 -0.001 0.000 0.322 138 S C -2.255 172.352 174.600 0.012 0.000 1.063 138 S CA -1.657 56.478 58.200 -0.108 0.000 1.120 138 S CB 0.204 63.382 63.200 -0.038 0.000 0.968 138 S HN 0.726 nan 8.310 nan 0.000 0.467 139 P HA 0.507 nan 4.420 nan 0.000 0.284 139 P C -0.297 176.935 177.300 -0.112 0.000 1.292 139 P CA -0.346 62.704 63.100 -0.083 0.000 0.800 139 P CB 1.330 32.972 31.700 -0.097 0.000 1.188 140 T N -2.131 112.365 114.554 -0.097 0.000 2.731 140 T HA 0.333 4.683 4.350 -0.001 0.000 0.300 140 T C -1.793 172.885 174.700 -0.036 0.000 1.283 140 T CA -0.480 61.590 62.100 -0.049 0.000 1.005 140 T CB 0.062 69.019 68.868 0.147 0.000 1.420 140 T HN 0.336 nan 8.240 nan 0.000 0.503 141 W N 3.079 124.209 121.300 -0.283 0.000 2.295 141 W HA 0.198 4.857 4.660 -0.001 0.000 0.335 141 W C 1.673 178.023 176.519 -0.282 0.000 1.351 141 W CA -0.313 56.816 57.345 -0.361 0.000 1.273 141 W CB 0.169 29.278 29.460 -0.584 0.000 1.214 141 W HN 0.918 nan 8.180 nan 0.000 0.563 142 E N 1.940 121.875 120.200 -0.442 0.000 2.209 142 E HA -0.350 4.000 4.350 -0.001 0.000 0.196 142 E C 1.307 177.541 176.600 -0.611 0.000 0.993 142 E CA 1.685 57.818 56.400 -0.445 0.000 0.819 142 E CB -0.265 29.215 29.700 -0.366 0.000 0.745 142 E HN 0.431 nan 8.360 nan 0.000 0.477 143 N N -0.020 117.938 118.700 -1.237 0.000 2.412 143 N HA -0.008 4.732 4.740 -0.001 0.000 0.184 143 N C 1.024 176.274 175.510 -0.434 0.000 1.101 143 N CA 0.351 52.769 53.050 -1.054 0.000 0.881 143 N CB -0.025 37.384 38.487 -1.798 0.000 0.969 143 N HN 0.415 nan 8.380 nan 0.000 0.459 144 H N -0.522 118.415 119.070 -0.222 0.000 2.270 144 H HA -0.084 4.472 4.556 -0.001 0.000 0.299 144 H C 1.839 177.228 175.328 0.102 0.000 1.077 144 H CA 1.125 57.217 56.048 0.073 0.000 1.294 144 H CB 0.035 29.841 29.762 0.073 0.000 1.371 144 H HN 0.246 nan 8.280 nan 0.000 0.491 145 N N 1.117 119.897 118.700 0.133 0.000 2.061 145 N HA -0.180 4.559 4.740 -0.001 0.000 0.193 145 N C 2.003 177.578 175.510 0.108 0.000 1.030 145 N CA 1.476 54.579 53.050 0.089 0.000 0.856 145 N CB -0.160 38.335 38.487 0.013 0.000 1.023 145 N HN 0.365 nan 8.380 nan 0.000 0.424 146 A N 0.586 123.422 122.820 0.027 0.000 1.930 146 A HA -0.029 4.290 4.320 -0.001 0.000 0.217 146 A C 2.617 180.233 177.584 0.054 0.000 1.175 146 A CA 1.339 53.381 52.037 0.009 0.000 0.627 146 A CB -0.690 18.266 19.000 -0.073 0.000 0.815 146 A HN 0.194 nan 8.150 nan 0.000 0.443 147 V N -1.308 118.648 119.914 0.071 0.000 2.307 147 V HA -0.208 3.911 4.120 -0.001 0.000 0.245 147 V C 2.293 178.418 176.094 0.051 0.000 1.045 147 V CA 1.963 64.293 62.300 0.049 0.000 1.024 147 V CB -0.944 30.901 31.823 0.037 0.000 0.651 147 V HN 0.560 nan 8.190 nan 0.000 0.449 148 F N 0.761 120.784 119.950 0.122 0.000 2.186 148 F HA -0.133 4.394 4.527 -0.001 0.000 0.299 148 F C 2.678 178.643 175.800 0.275 0.000 1.090 148 F CA 1.656 59.793 58.000 0.228 0.000 1.307 148 F CB -0.715 38.336 39.000 0.085 0.000 1.019 148 F HN 0.043 nan 8.300 nan 0.000 0.489 149 S N 0.091 115.968 115.700 0.295 0.000 2.368 149 S HA -0.213 4.257 4.470 -0.001 0.000 0.225 149 S C 2.369 177.040 174.600 0.118 0.000 1.030 149 S CA 1.066 59.378 58.200 0.187 0.000 0.999 149 S CB -0.765 62.502 63.200 0.112 0.000 0.844 149 S HN 0.380 nan 8.310 nan 0.000 0.459 150 A N 1.483 124.357 122.820 0.090 0.000 1.933 150 A HA 0.145 4.465 4.320 -0.001 0.000 0.218 150 A C 2.286 179.882 177.584 0.020 0.000 1.175 150 A CA 1.562 53.625 52.037 0.043 0.000 0.628 150 A CB -0.908 18.113 19.000 0.036 0.000 0.814 150 A HN 0.526 nan 8.150 nan 0.000 0.444 151 A N -2.090 120.754 122.820 0.040 0.000 2.119 151 A HA 0.356 4.675 4.320 -0.001 0.000 0.217 151 A C 1.860 179.346 177.584 -0.164 0.000 1.153 151 A CA 1.617 53.641 52.037 -0.023 0.000 0.692 151 A CB -0.671 18.370 19.000 0.069 0.000 0.799 151 A HN 1.824 nan 8.150 nan 0.000 0.458 152 G N -2.827 105.910 108.800 -0.105 0.000 2.205 152 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.180 152 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.180 152 G C -0.041 174.767 174.900 -0.153 0.000 1.004 152 G CA -0.252 44.751 45.100 -0.163 0.000 0.670 152 G HN 0.242 nan 8.290 nan 0.000 0.496 153 F N 1.583 121.582 119.950 0.082 0.000 2.543 153 F HA 0.425 4.952 4.527 -0.001 0.000 0.375 153 F C 1.643 177.483 175.800 0.067 0.000 1.075 153 F CA 0.119 58.179 58.000 0.099 0.000 1.225 153 F CB 0.979 40.087 39.000 0.179 0.000 1.099 153 F HN -0.182 nan 8.300 nan 0.000 0.561 154 K N 1.024 121.552 120.400 0.213 0.000 2.361 154 K HA 0.027 4.347 4.320 -0.001 0.000 0.194 154 K C -0.085 176.577 176.600 0.104 0.000 1.032 154 K CA 0.515 56.873 56.287 0.119 0.000 1.048 154 K CB 0.108 32.652 32.500 0.073 0.000 0.842 154 K HN 0.477 nan 8.250 nan 0.000 0.526 155 D N 0.898 121.375 120.400 0.128 0.000 2.378 155 D HA 0.269 4.908 4.640 -0.001 0.000 0.265 155 D C -0.976 175.321 176.300 -0.005 0.000 1.229 155 D CA -0.280 53.752 54.000 0.054 0.000 0.914 155 D CB 0.105 40.942 40.800 0.061 0.000 1.140 155 D HN -0.064 nan 8.370 nan 0.000 0.516 156 I N 2.927 123.478 120.570 -0.031 0.000 2.359 156 I HA 0.463 4.632 4.170 -0.001 0.000 0.294 156 I C 0.638 176.651 176.117 -0.173 0.000 0.987 156 I CA -0.639 60.601 61.300 -0.100 0.000 1.225 156 I CB 1.376 39.356 38.000 -0.032 0.000 1.366 156 I HN -0.015 nan 8.210 nan 0.000 0.466 157 R N 3.269 123.580 120.500 -0.315 0.000 2.888 157 R HA 0.642 4.981 4.340 -0.001 0.000 0.264 157 R C -1.035 175.107 176.300 -0.264 0.000 1.045 157 R CA -0.863 55.013 56.100 -0.374 0.000 0.962 157 R CB 2.242 32.071 30.300 -0.785 0.000 1.210 157 R HN 0.497 nan 8.270 nan 0.000 0.479 158 S N 0.721 116.350 115.700 -0.119 0.000 2.509 158 S HA 0.409 4.879 4.470 -0.001 0.000 0.297 158 S C -1.168 173.551 174.600 0.199 0.000 1.118 158 S CA -0.780 57.398 58.200 -0.037 0.000 1.074 158 S CB 0.719 63.895 63.200 -0.039 0.000 1.038 158 S HN 0.466 nan 8.310 nan 0.000 0.498 159 Y N -0.075 120.337 120.300 0.186 0.000 2.360 159 Y HA 0.678 5.228 4.550 -0.001 0.000 0.337 159 Y C 0.188 176.108 175.900 0.033 0.000 1.039 159 Y CA -1.417 56.775 58.100 0.154 0.000 1.109 159 Y CB 0.471 39.001 38.460 0.118 0.000 1.201 159 Y HN 0.417 nan 8.280 nan 0.000 0.458 160 R N 1.887 122.528 120.500 0.236 0.000 2.698 160 R HA 0.041 4.380 4.340 -0.001 0.000 0.266 160 R C -0.780 175.619 176.300 0.165 0.000 1.026 160 R CA 0.770 56.962 56.100 0.153 0.000 1.102 160 R CB 0.186 30.569 30.300 0.139 0.000 0.978 160 R HN 0.982 nan 8.270 nan 0.000 0.436 161 Y N 0.808 121.075 120.300 -0.053 0.000 3.315 161 Y HA 0.059 4.609 4.550 -0.001 0.000 0.189 161 Y C -0.847 175.043 175.900 -0.017 0.000 0.984 161 Y CA -0.234 57.793 58.100 -0.122 0.000 1.679 161 Y CB 0.341 38.629 38.460 -0.287 0.000 1.450 161 Y HN 0.615 nan 8.280 nan 0.000 0.351 162 W N 5.083 126.355 121.300 -0.046 0.000 2.356 162 W HA 0.254 4.914 4.660 -0.000 0.000 0.311 162 W C -0.763 175.722 176.519 -0.056 0.000 1.328 162 W CA 0.149 57.442 57.345 -0.087 0.000 1.251 162 W CB 0.731 30.177 29.460 -0.023 0.000 1.280 162 W HN 0.176 nan 8.180 nan 0.000 0.524 163 D N 5.163 125.166 120.400 -0.661 0.000 2.428 163 D HA 0.266 4.906 4.640 -0.001 0.000 0.221 163 D C 0.930 176.674 176.300 -0.927 0.000 1.123 163 D CA 0.053 53.709 54.000 -0.574 0.000 0.869 163 D CB 1.562 42.100 40.800 -0.436 0.000 1.032 163 D HN 0.471 nan 8.370 nan 0.000 0.506 164 A N 3.980 126.453 122.820 -0.578 0.000 2.015 164 A HA -0.145 4.175 4.320 -0.001 0.000 0.219 164 A C 1.874 179.297 177.584 -0.268 0.000 1.163 164 A CA 1.116 52.961 52.037 -0.320 0.000 0.646 164 A CB -0.223 18.820 19.000 0.071 0.000 0.806 164 A HN 0.695 nan 8.150 nan 0.000 0.448 165 E N 0.313 120.355 120.200 -0.262 0.000 2.051 165 E HA -0.155 4.194 4.350 -0.001 0.000 0.189 165 E C 1.813 178.265 176.600 -0.248 0.000 0.979 165 E CA 1.301 57.577 56.400 -0.207 0.000 0.803 165 E CB -0.057 29.549 29.700 -0.157 0.000 0.761 165 E HN 0.731 nan 8.360 nan 0.000 0.451 166 K N 0.153 120.368 120.400 -0.308 0.000 2.404 166 K HA 0.076 4.396 4.320 -0.001 0.000 0.194 166 K C -0.054 176.318 176.600 -0.381 0.000 1.023 166 K CA -0.051 56.060 56.287 -0.293 0.000 1.094 166 K CB 0.252 32.608 32.500 -0.240 0.000 0.841 166 K HN -0.033 nan 8.250 nan 0.000 0.523 167 R N 0.778 120.915 120.500 -0.606 0.000 3.251 167 R HA -0.164 4.176 4.340 -0.001 0.000 0.249 167 R C 0.078 175.931 176.300 -0.744 0.000 0.949 167 R CA 0.467 56.049 56.100 -0.864 0.000 0.645 167 R CB -2.018 28.141 30.300 -0.234 0.000 1.065 167 R HN 0.649 nan 8.270 nan 0.000 0.452 168 G N -0.398 107.887 108.800 -0.859 0.000 2.782 168 G HA2 0.537 4.497 3.960 -0.001 0.000 0.304 168 G HA3 0.537 4.497 3.960 -0.001 0.000 0.304 168 G C -1.377 173.245 174.900 -0.462 0.000 1.315 168 G CA -1.043 43.797 45.100 -0.434 0.000 0.791 168 G HN 0.081 nan 8.290 nan 0.000 0.519 169 L N 0.862 121.882 121.223 -0.338 0.000 2.360 169 L HA 0.489 4.829 4.340 -0.001 0.000 0.276 169 L C -0.307 176.377 176.870 -0.310 0.000 1.121 169 L CA -0.553 54.036 54.840 -0.418 0.000 0.845 169 L CB 1.162 42.980 42.059 -0.402 0.000 1.143 169 L HN 0.438 nan 8.230 nan 0.000 0.452 170 D N 4.140 124.375 120.400 -0.274 0.000 2.522 170 D HA 0.027 4.667 4.640 -0.001 0.000 0.218 170 D C 0.951 177.225 176.300 -0.044 0.000 1.149 170 D CA -0.155 53.758 54.000 -0.144 0.000 0.981 170 D CB 0.228 40.968 40.800 -0.100 0.000 1.041 170 D HN 0.608 nan 8.370 nan 0.000 0.518 171 L N 2.782 123.967 121.223 -0.063 0.000 2.046 171 L HA -0.158 4.182 4.340 -0.001 0.000 0.208 171 L C 1.914 178.785 176.870 0.003 0.000 1.077 171 L CA 1.678 56.505 54.840 -0.021 0.000 0.747 171 L CB -0.223 41.781 42.059 -0.092 0.000 0.896 171 L HN 0.300 nan 8.230 nan 0.000 0.432 172 Q N -0.216 119.573 119.800 -0.018 0.000 2.050 172 Q HA -0.097 4.242 4.340 -0.001 0.000 0.202 172 Q C 2.204 178.224 176.000 0.034 0.000 0.980 172 Q CA 1.642 57.438 55.803 -0.010 0.000 0.840 172 Q CB -1.177 27.547 28.738 -0.023 0.000 0.898 172 Q HN 0.619 nan 8.270 nan 0.000 0.424 173 G N 0.493 109.328 108.800 0.057 0.000 2.446 173 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.217 173 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.217 173 G C 1.293 176.317 174.900 0.207 0.000 1.168 173 G CA 0.670 45.833 45.100 0.104 0.000 0.771 173 G HN 0.306 nan 8.290 nan 0.000 0.551 174 F N 1.653 121.624 119.950 0.036 0.000 2.069 174 F HA -0.009 4.518 4.527 -0.001 0.000 0.298 174 F C 2.542 178.326 175.800 -0.027 0.000 1.113 174 F CA 1.040 59.074 58.000 0.056 0.000 1.214 174 F CB -0.885 38.130 39.000 0.026 0.000 0.978 174 F HN 0.065 nan 8.300 nan 0.000 0.474 175 L N -0.088 121.149 121.223 0.023 0.000 2.083 175 L HA -0.265 4.075 4.340 -0.001 0.000 0.209 175 L C 2.202 179.058 176.870 -0.024 0.000 1.083 175 L CA 1.815 56.587 54.840 -0.114 0.000 0.752 175 L CB -0.917 41.063 42.059 -0.132 0.000 0.899 175 L HN 0.233 nan 8.230 nan 0.000 0.433 176 N N -0.156 118.563 118.700 0.032 0.000 2.142 176 N HA -0.199 4.541 4.740 -0.001 0.000 0.186 176 N C 1.483 177.031 175.510 0.064 0.000 1.023 176 N CA 1.290 54.365 53.050 0.042 0.000 0.852 176 N CB 0.137 38.654 38.487 0.050 0.000 0.998 176 N HN 0.197 nan 8.380 nan 0.000 0.424 177 D N 0.097 120.565 120.400 0.114 0.000 2.144 177 D HA -0.093 4.547 4.640 -0.001 0.000 0.200 177 D C 1.936 178.225 176.300 -0.018 0.000 0.978 177 D CA 0.637 54.715 54.000 0.130 0.000 0.833 177 D CB -0.168 40.791 40.800 0.264 0.000 0.961 177 D HN 0.356 nan 8.370 nan 0.000 0.470 178 L N 0.545 121.738 121.223 -0.051 0.000 2.027 178 L HA -0.161 4.179 4.340 -0.001 0.000 0.206 178 L C 2.463 179.280 176.870 -0.088 0.000 1.074 178 L CA 0.987 55.734 54.840 -0.154 0.000 0.745 178 L CB -0.368 41.598 42.059 -0.154 0.000 0.898 178 L HN -0.052 nan 8.230 nan 0.000 0.433 179 E N 0.812 120.994 120.200 -0.030 0.000 2.130 179 E HA -0.223 4.126 4.350 -0.001 0.000 0.196 179 E C 1.730 178.344 176.600 0.023 0.000 0.998 179 E CA 1.461 57.873 56.400 0.020 0.000 0.806 179 E CB -0.072 29.644 29.700 0.026 0.000 0.738 179 E HN 0.355 nan 8.360 nan 0.000 0.459 180 N N 0.052 118.767 118.700 0.024 0.000 2.398 180 N HA 0.100 4.840 4.740 -0.001 0.000 0.188 180 N C -0.420 175.129 175.510 0.064 0.000 1.122 180 N CA 0.657 53.737 53.050 0.052 0.000 0.866 180 N CB 0.181 38.715 38.487 0.078 0.000 0.970 180 N HN 0.156 nan 8.380 nan 0.000 0.462 181 A N 2.332 125.150 122.820 -0.004 0.000 2.477 181 A HA 0.298 4.618 4.320 -0.001 0.000 0.246 181 A C -2.138 175.489 177.584 0.073 0.000 1.078 181 A CA -0.800 51.245 52.037 0.013 0.000 0.770 181 A CB -0.143 18.672 19.000 -0.309 0.000 1.011 181 A HN -0.035 nan 8.150 nan 0.000 0.494 182 P HA 0.077 nan 4.420 nan 0.000 0.266 182 P C -0.283 177.061 177.300 0.073 0.000 1.195 182 P CA 0.094 63.263 63.100 0.115 0.000 0.768 182 P CB 0.342 32.139 31.700 0.162 0.000 0.838 183 E N 2.047 122.226 120.200 -0.035 0.000 2.502 183 E HA -0.075 4.275 4.350 -0.001 0.000 0.261 183 E C -0.114 176.365 176.600 -0.201 0.000 0.974 183 E CA 0.630 56.871 56.400 -0.266 0.000 0.936 183 E CB -0.292 29.089 29.700 -0.532 0.000 0.926 183 E HN 0.397 nan 8.360 nan 0.000 0.459 184 F N -0.745 119.379 119.950 0.290 0.000 2.544 184 F HA -0.271 4.256 4.527 -0.001 0.000 0.389 184 F C 0.760 176.801 175.800 0.402 0.000 0.588 184 F CA 0.457 58.659 58.000 0.337 0.000 1.461 184 F CB -2.106 36.982 39.000 0.148 0.000 1.995 184 F HN 0.209 nan 8.300 nan 0.000 0.282 185 S N 1.313 117.263 115.700 0.416 0.000 2.568 185 S HA 0.452 4.921 4.470 -0.001 0.000 0.282 185 S C 0.552 175.377 174.600 0.374 0.000 1.338 185 S CA -0.297 58.134 58.200 0.385 0.000 1.045 185 S CB 0.713 64.135 63.200 0.371 0.000 0.873 185 S HN 0.216 nan 8.310 nan 0.000 0.516 186 I N 2.563 123.311 120.570 0.297 0.000 2.395 186 I HA 0.242 4.412 4.170 -0.001 0.000 0.289 186 I C -0.554 175.671 176.117 0.181 0.000 1.023 186 I CA -0.408 61.024 61.300 0.220 0.000 1.350 186 I CB 0.996 39.018 38.000 0.037 0.000 1.409 186 I HN 0.205 nan 8.210 nan 0.000 0.507 187 V N 7.343 127.356 119.914 0.164 0.000 2.378 187 V HA 0.241 4.361 4.120 -0.001 0.000 0.288 187 V C 0.021 176.133 176.094 0.030 0.000 1.016 187 V CA -0.775 61.591 62.300 0.110 0.000 0.840 187 V CB 1.627 33.471 31.823 0.034 0.000 0.994 187 V HN 0.371 nan 8.190 nan 0.000 0.431 188 V N 7.185 127.086 119.914 -0.021 0.000 2.389 188 V HA 0.337 4.457 4.120 -0.001 0.000 0.264 188 V C 0.005 176.104 176.094 0.009 0.000 1.049 188 V CA -0.042 62.162 62.300 -0.160 0.000 0.932 188 V CB 0.649 32.162 31.823 -0.516 0.000 1.011 188 V HN 0.608 nan 8.190 nan 0.000 0.475 189 L N 5.238 126.422 121.223 -0.064 0.000 2.322 189 L HA 0.539 4.879 4.340 -0.001 0.000 0.281 189 L C 0.143 177.143 176.870 0.216 0.000 1.014 189 L CA -0.614 54.276 54.840 0.083 0.000 0.815 189 L CB 1.432 43.284 42.059 -0.345 0.000 1.247 189 L HN 0.576 nan 8.230 nan 0.000 0.421 190 H N 2.403 121.678 119.070 0.342 0.000 2.742 190 H HA 0.133 4.688 4.556 -0.001 0.000 0.302 190 H C 0.647 176.295 175.328 0.534 0.000 1.069 190 H CA -0.099 56.178 56.048 0.380 0.000 1.446 190 H CB 1.805 31.754 29.762 0.313 0.000 1.462 190 H HN 0.882 nan 8.280 nan 0.000 0.499 191 A N 3.904 127.060 122.820 0.559 0.000 1.933 191 A HA -0.083 4.237 4.320 -0.001 0.000 0.218 191 A C 1.188 179.028 177.584 0.426 0.000 1.175 191 A CA 1.486 53.790 52.037 0.446 0.000 0.628 191 A CB -0.281 18.852 19.000 0.222 0.000 0.814 191 A HN 0.856 nan 8.150 nan 0.000 0.444 192 C N -6.664 112.902 119.300 0.444 0.000 3.259 192 C HA 0.681 5.141 4.460 -0.001 0.000 0.344 192 C C 0.534 175.751 174.990 0.379 0.000 1.401 192 C CA -0.644 58.625 59.018 0.418 0.000 1.219 192 C CB 0.808 28.742 27.740 0.323 0.000 1.521 192 C HN 2.253 nan 8.230 nan 0.000 0.455 193 A N 0.931 123.934 122.820 0.304 0.000 2.519 193 A HA -0.111 4.209 4.320 -0.001 0.000 0.297 193 A C 0.303 177.973 177.584 0.143 0.000 1.472 193 A CA 1.292 53.435 52.037 0.177 0.000 0.739 193 A CB -2.327 16.727 19.000 0.089 0.000 1.096 193 A HN 2.158 nan 8.150 nan 0.000 0.414 194 H N 0.775 119.911 119.070 0.110 0.000 3.125 194 H HA 0.090 4.646 4.556 -0.001 0.000 0.310 194 H C 0.298 175.535 175.328 -0.151 0.000 0.980 194 H CA 1.447 57.452 56.048 -0.071 0.000 1.422 194 H CB 0.400 30.091 29.762 -0.120 0.000 1.432 194 H HN 0.656 nan 8.280 nan 0.000 0.577 195 N N 7.176 125.521 118.700 -0.591 0.000 2.457 195 N HA 0.141 4.881 4.740 -0.001 0.000 0.250 195 N C -2.223 172.883 175.510 -0.673 0.000 0.982 195 N CA -2.222 50.546 53.050 -0.469 0.000 0.941 195 N CB 1.459 39.813 38.487 -0.222 0.000 1.120 195 N HN 0.420 nan 8.380 nan 0.000 0.505 196 P HA 0.134 nan 4.420 nan 0.000 0.282 196 P C 0.714 177.725 177.300 -0.482 0.000 1.327 196 P CA 0.185 62.959 63.100 -0.543 0.000 0.949 196 P CB 0.321 31.745 31.700 -0.460 0.000 1.445 197 T N -4.167 110.149 114.554 -0.397 0.000 2.985 197 T HA 0.123 4.473 4.350 -0.001 0.000 0.266 197 T C 1.739 176.399 174.700 -0.067 0.000 1.076 197 T CA 1.260 63.040 62.100 -0.533 0.000 1.135 197 T CB -1.382 67.249 68.868 -0.394 0.000 0.890 197 T HN 0.165 nan 8.240 nan 0.000 0.480 198 G N 1.340 110.193 108.800 0.088 0.000 2.166 198 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.260 198 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.260 198 G C 0.009 175.024 174.900 0.192 0.000 0.986 198 G CA 0.281 45.475 45.100 0.157 0.000 0.683 198 G HN 0.601 nan 8.290 nan 0.000 0.527 199 I N 1.122 121.821 120.570 0.216 0.000 2.389 199 I HA 0.427 4.597 4.170 -0.001 0.000 0.288 199 I C -0.759 175.477 176.117 0.199 0.000 0.999 199 I CA -0.855 60.560 61.300 0.192 0.000 1.129 199 I CB 1.568 39.688 38.000 0.200 0.000 1.288 199 I HN -0.087 nan 8.210 nan 0.000 0.444 200 D N 7.566 128.078 120.400 0.187 0.000 2.252 200 D HA 0.471 5.111 4.640 -0.001 0.000 0.245 200 D C -2.320 174.022 176.300 0.071 0.000 1.009 200 D CA -1.322 52.822 54.000 0.240 0.000 0.870 200 D CB 1.591 42.593 40.800 0.337 0.000 1.251 200 D HN 0.172 nan 8.370 nan 0.000 0.460 201 P HA 0.055 nan 4.420 nan 0.000 0.266 201 P C 0.132 177.367 177.300 -0.107 0.000 1.195 201 P CA -0.177 62.736 63.100 -0.311 0.000 0.768 201 P CB 0.158 31.278 31.700 -0.967 0.000 0.838 202 T N 0.557 115.059 114.554 -0.085 0.000 2.813 202 T HA 0.148 4.498 4.350 -0.001 0.000 0.297 202 T C -1.747 172.968 174.700 0.024 0.000 1.036 202 T CA -1.327 60.757 62.100 -0.026 0.000 1.044 202 T CB -0.187 68.636 68.868 -0.076 0.000 0.993 202 T HN 0.156 nan 8.240 nan 0.000 0.535 203 P HA -0.117 nan 4.420 nan 0.000 0.216 203 P C 1.670 178.894 177.300 -0.127 0.000 1.153 203 P CA 1.016 63.880 63.100 -0.394 0.000 0.858 203 P CB 0.056 31.119 31.700 -1.062 0.000 0.789 204 E N -0.361 119.764 120.200 -0.125 0.000 2.110 204 E HA -0.189 4.161 4.350 -0.001 0.000 0.193 204 E C 2.077 178.653 176.600 -0.040 0.000 0.988 204 E CA 1.186 57.545 56.400 -0.068 0.000 0.804 204 E CB -0.558 29.098 29.700 -0.073 0.000 0.745 204 E HN 0.464 nan 8.360 nan 0.000 0.458 205 Q N -0.801 118.959 119.800 -0.066 0.000 2.084 205 Q HA -0.149 4.190 4.340 -0.001 0.000 0.202 205 Q C 2.092 178.047 176.000 -0.075 0.000 0.978 205 Q CA 1.223 56.956 55.803 -0.117 0.000 0.844 205 Q CB -0.313 28.306 28.738 -0.198 0.000 0.898 205 Q HN 0.369 nan 8.270 nan 0.000 0.426 206 W N 1.413 122.736 121.300 0.040 0.000 2.342 206 W HA -0.181 4.479 4.660 -0.001 0.000 0.297 206 W C 2.105 178.651 176.519 0.045 0.000 1.213 206 W CA 0.819 58.252 57.345 0.148 0.000 1.251 206 W CB 0.135 29.814 29.460 0.365 0.000 1.136 206 W HN 0.080 nan 8.180 nan 0.000 0.526 207 K N -0.040 120.449 120.400 0.149 0.000 2.097 207 K HA -0.194 4.125 4.320 -0.001 0.000 0.205 207 K C 1.903 178.543 176.600 0.067 0.000 1.050 207 K CA 1.438 57.744 56.287 0.030 0.000 0.938 207 K CB -0.375 32.108 32.500 -0.029 0.000 0.718 207 K HN 0.290 nan 8.250 nan 0.000 0.442 208 Q N 0.545 120.349 119.800 0.007 0.000 2.119 208 Q HA -0.095 4.244 4.340 -0.001 0.000 0.201 208 Q C 2.143 178.093 176.000 -0.084 0.000 0.972 208 Q CA 1.125 56.898 55.803 -0.050 0.000 0.847 208 Q CB -0.125 28.555 28.738 -0.096 0.000 0.903 208 Q HN 0.317 nan 8.270 nan 0.000 0.433 209 I N 0.865 121.376 120.570 -0.099 0.000 2.142 209 I HA -0.305 3.865 4.170 -0.001 0.000 0.240 209 I C 2.497 178.622 176.117 0.012 0.000 1.078 209 I CA 1.102 62.302 61.300 -0.167 0.000 1.343 209 I CB -0.497 37.387 38.000 -0.193 0.000 1.046 209 I HN 0.164 nan 8.210 nan 0.000 0.405 210 A N -0.254 122.634 122.820 0.114 0.000 1.917 210 A HA -0.294 4.025 4.320 -0.001 0.000 0.219 210 A C 2.491 180.125 177.584 0.082 0.000 1.182 210 A CA 2.500 54.492 52.037 -0.074 0.000 0.633 210 A CB -0.934 17.923 19.000 -0.238 0.000 0.819 210 A HN 0.439 nan 8.150 nan 0.000 0.448 211 S N -0.945 114.789 115.700 0.056 0.000 2.383 211 S HA -0.101 4.369 4.470 -0.001 0.000 0.227 211 S C 1.875 176.482 174.600 0.013 0.000 1.026 211 S CA 1.533 59.750 58.200 0.029 0.000 0.981 211 S CB -0.430 62.770 63.200 0.001 0.000 0.818 211 S HN 0.301 nan 8.310 nan 0.000 0.472 212 V N 2.120 122.029 119.914 -0.009 0.000 2.379 212 V HA -0.127 3.992 4.120 -0.001 0.000 0.245 212 V C 2.462 178.578 176.094 0.037 0.000 1.044 212 V CA 1.934 64.236 62.300 0.004 0.000 1.036 212 V CB -0.634 31.153 31.823 -0.060 0.000 0.664 212 V HN 0.511 nan 8.190 nan 0.000 0.453 213 M N -0.234 119.401 119.600 0.057 0.000 2.108 213 M HA -0.237 4.243 4.480 -0.001 0.000 0.261 213 M C 2.531 178.938 176.300 0.178 0.000 1.066 213 M CA 2.122 57.503 55.300 0.136 0.000 1.107 213 M CB -0.520 32.192 32.600 0.186 0.000 1.356 213 M HN 0.235 nan 8.290 nan 0.000 0.406 214 K N -0.801 119.708 120.400 0.182 0.000 2.097 214 K HA -0.189 4.131 4.320 -0.001 0.000 0.206 214 K C 1.900 178.319 176.600 -0.302 0.000 1.049 214 K CA 1.526 57.759 56.287 -0.090 0.000 0.933 214 K CB -0.907 31.480 32.500 -0.189 0.000 0.717 214 K HN 0.611 nan 8.250 nan 0.000 0.442 215 H N -0.444 118.449 119.070 -0.295 0.000 2.389 215 H HA 0.065 4.620 4.556 -0.001 0.000 0.299 215 H C 1.468 176.482 175.328 -0.524 0.000 1.081 215 H CA 1.381 57.206 56.048 -0.372 0.000 1.345 215 H CB 0.275 29.919 29.762 -0.197 0.000 1.393 215 H HN 0.174 nan 8.280 nan 0.000 0.520 216 R N -0.349 119.872 120.500 -0.464 0.000 2.507 216 R HA 0.039 4.379 4.340 -0.001 0.000 0.298 216 R C -0.428 175.777 176.300 -0.158 0.000 0.999 216 R CA -0.072 55.800 56.100 -0.380 0.000 1.082 216 R CB 0.259 30.443 30.300 -0.193 0.000 1.246 216 R HN 0.191 nan 8.270 nan 0.000 0.553 217 F N 0.173 120.077 119.950 -0.076 0.000 3.091 217 F HA -0.256 4.271 4.527 -0.001 0.000 0.288 217 F C -0.072 175.849 175.800 0.201 0.000 0.907 217 F CA 0.162 58.185 58.000 0.038 0.000 1.028 217 F CB -2.016 36.882 39.000 -0.170 0.000 1.022 217 F HN 0.066 nan 8.300 nan 0.000 0.665 218 L N 0.223 121.627 121.223 0.301 0.000 2.349 218 L HA 0.286 4.625 4.340 -0.001 0.000 0.275 218 L C 0.442 177.559 176.870 0.411 0.000 1.115 218 L CA -0.380 54.650 54.840 0.317 0.000 0.820 218 L CB 0.619 42.772 42.059 0.157 0.000 1.135 218 L HN 0.130 nan 8.230 nan 0.000 0.445 219 F N 5.608 125.714 119.950 0.260 0.000 2.421 219 F HA 0.369 4.895 4.527 -0.001 0.000 0.358 219 F C -2.054 173.776 175.800 0.050 0.000 1.115 219 F CA -2.233 55.854 58.000 0.146 0.000 1.160 219 F CB 0.887 39.826 39.000 -0.102 0.000 1.123 219 F HN 0.213 nan 8.300 nan 0.000 0.508 220 P HA 0.121 nan 4.420 nan 0.000 0.287 220 P C -1.166 175.987 177.300 -0.245 0.000 1.281 220 P CA -0.076 62.779 63.100 -0.408 0.000 0.781 220 P CB 0.536 31.811 31.700 -0.708 0.000 0.903 221 F N 4.885 124.740 119.950 -0.157 0.000 2.434 221 F HA 0.453 4.980 4.527 -0.001 0.000 0.367 221 F C -1.070 174.726 175.800 -0.007 0.000 1.093 221 F CA -2.029 56.052 58.000 0.134 0.000 1.085 221 F CB -0.108 39.080 39.000 0.313 0.000 1.322 221 F HN 0.114 nan 8.300 nan 0.000 0.452 222 F N 3.164 123.373 119.950 0.432 0.000 2.429 222 F HA 0.224 4.750 4.527 -0.001 0.000 0.348 222 F C 0.657 176.635 175.800 0.297 0.000 1.109 222 F CA 0.132 58.268 58.000 0.227 0.000 1.232 222 F CB 0.555 39.614 39.000 0.099 0.000 1.157 222 F HN 0.296 nan 8.300 nan 0.000 0.564 223 D N 1.685 122.283 120.400 0.329 0.000 2.440 223 D HA 0.145 4.784 4.640 -0.001 0.000 0.239 223 D C -1.014 175.407 176.300 0.202 0.000 1.084 223 D CA -0.171 53.949 54.000 0.199 0.000 0.843 223 D CB 1.432 42.267 40.800 0.057 0.000 1.097 223 D HN 0.322 nan 8.370 nan 0.000 0.531 224 S N 2.780 118.573 115.700 0.156 0.000 2.426 224 S HA 0.577 5.047 4.470 -0.001 0.000 0.236 224 S C 0.357 174.948 174.600 -0.015 0.000 1.368 224 S CA -0.330 57.938 58.200 0.113 0.000 1.154 224 S CB 0.242 63.494 63.200 0.086 0.000 1.037 224 S HN 0.481 nan 8.310 nan 0.000 0.481 225 A N 3.418 126.208 122.820 -0.050 0.000 2.343 225 A HA 0.413 4.732 4.320 -0.001 0.000 0.223 225 A C 0.121 177.373 177.584 -0.555 0.000 1.214 225 A CA 0.104 51.922 52.037 -0.365 0.000 0.900 225 A CB 0.034 18.690 19.000 -0.573 0.000 0.942 225 A HN 0.781 nan 8.150 nan 0.000 0.507 226 Y N -0.383 119.954 120.300 0.061 0.000 2.742 226 Y HA 0.282 4.832 4.550 -0.001 0.000 0.248 226 Y C 0.521 176.610 175.900 0.316 0.000 1.132 226 Y CA -0.775 57.433 58.100 0.179 0.000 1.142 226 Y CB 0.009 38.514 38.460 0.076 0.000 1.222 226 Y HN 0.314 nan 8.280 nan 0.000 0.575 227 Q N 1.097 121.072 119.800 0.292 0.000 2.262 227 Q HA 0.267 4.606 4.340 -0.001 0.000 0.298 227 Q C 1.160 177.281 176.000 0.201 0.000 1.083 227 Q CA 1.777 57.721 55.803 0.235 0.000 0.962 227 Q CB 0.269 29.112 28.738 0.175 0.000 1.104 227 Q HN 0.833 nan 8.270 nan 0.000 0.376 228 G N 3.291 112.158 108.800 0.111 0.000 2.307 228 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.210 228 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.210 228 G C 0.248 175.053 174.900 -0.159 0.000 1.005 228 G CA 0.067 45.102 45.100 -0.108 0.000 0.634 228 G HN 0.645 nan 8.290 nan 0.000 0.496 229 F N 1.733 121.719 119.950 0.060 0.000 2.754 229 F HA 0.551 5.078 4.527 -0.001 0.000 0.297 229 F C 2.616 178.447 175.800 0.052 0.000 1.122 229 F CA 1.253 59.285 58.000 0.053 0.000 1.400 229 F CB 0.230 39.293 39.000 0.106 0.000 1.117 229 F HN 0.362 nan 8.300 nan 0.000 0.587 230 A N -0.157 122.803 122.820 0.234 0.000 1.843 230 A HA -0.112 4.208 4.320 -0.001 0.000 0.213 230 A C 2.190 179.846 177.584 0.119 0.000 1.202 230 A CA 1.826 53.972 52.037 0.183 0.000 0.607 230 A CB -0.911 18.214 19.000 0.208 0.000 0.847 230 A HN 0.287 nan 8.150 nan 0.000 0.445 231 S N -2.881 112.870 115.700 0.085 0.000 2.523 231 S HA 0.420 4.890 4.470 -0.001 0.000 0.217 231 S C 1.354 175.951 174.600 -0.006 0.000 0.996 231 S CA 1.148 59.374 58.200 0.045 0.000 0.921 231 S CB 0.303 63.533 63.200 0.049 0.000 0.829 231 S HN 1.991 nan 8.310 nan 0.000 0.495 232 G N 1.672 110.444 108.800 -0.047 0.000 2.184 232 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.264 232 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.264 232 G C -0.139 174.673 174.900 -0.148 0.000 0.975 232 G CA 0.257 45.277 45.100 -0.133 0.000 0.642 232 G HN 0.716 nan 8.290 nan 0.000 0.536 233 N N -0.180 118.470 118.700 -0.085 0.000 2.410 233 N HA 0.461 5.201 4.740 -0.001 0.000 0.287 233 N C 1.314 176.810 175.510 -0.023 0.000 1.044 233 N CA -0.590 52.422 53.050 -0.063 0.000 0.881 233 N CB 1.544 40.023 38.487 -0.012 0.000 1.405 233 N HN 0.006 nan 8.380 nan 0.000 0.490 234 L N 2.769 123.967 121.223 -0.042 0.000 2.093 234 L HA -0.060 4.279 4.340 -0.001 0.000 0.208 234 L C 2.398 179.335 176.870 0.112 0.000 1.085 234 L CA 1.209 56.069 54.840 0.032 0.000 0.755 234 L CB -0.179 41.899 42.059 0.033 0.000 0.904 234 L HN 0.692 nan 8.230 nan 0.000 0.435 235 E N 0.503 120.775 120.200 0.120 0.000 2.031 235 E HA -0.305 4.045 4.350 -0.001 0.000 0.193 235 E C 2.370 179.058 176.600 0.147 0.000 0.994 235 E CA 1.390 57.871 56.400 0.136 0.000 0.800 235 E CB -0.030 29.747 29.700 0.129 0.000 0.752 235 E HN 0.287 nan 8.360 nan 0.000 0.447 236 R N 0.323 120.902 120.500 0.131 0.000 2.091 236 R HA -0.166 4.174 4.340 -0.001 0.000 0.238 236 R C 1.664 178.074 176.300 0.182 0.000 1.136 236 R CA 2.119 58.311 56.100 0.153 0.000 0.959 236 R CB -0.136 30.220 30.300 0.094 0.000 0.856 236 R HN 0.189 nan 8.270 nan 0.000 0.437 237 D N -0.054 120.434 120.400 0.146 0.000 2.263 237 D HA -0.096 4.544 4.640 -0.001 0.000 0.208 237 D C 1.129 177.522 176.300 0.155 0.000 0.971 237 D CA 1.332 55.430 54.000 0.164 0.000 0.867 237 D CB 0.015 40.904 40.800 0.149 0.000 0.929 237 D HN 0.425 nan 8.370 nan 0.000 0.492 238 A N -0.845 122.055 122.820 0.133 0.000 2.278 238 A HA 0.050 4.369 4.320 -0.001 0.000 0.212 238 A C 1.712 179.320 177.584 0.039 0.000 1.213 238 A CA -0.295 51.778 52.037 0.059 0.000 0.840 238 A CB -0.911 18.122 19.000 0.056 0.000 0.866 238 A HN 0.331 nan 8.150 nan 0.000 0.489 239 W N 0.808 122.084 121.300 -0.040 0.000 2.338 239 W HA -0.249 4.411 4.660 -0.001 0.000 0.304 239 W C 2.183 178.635 176.519 -0.111 0.000 1.212 239 W CA 2.423 59.748 57.345 -0.033 0.000 1.264 239 W CB 0.012 29.478 29.460 0.010 0.000 1.142 239 W HN 0.365 nan 8.180 nan 0.000 0.512 240 A N 0.193 122.987 122.820 -0.045 0.000 1.898 240 A HA -0.171 4.149 4.320 -0.001 0.000 0.216 240 A C 1.943 179.172 177.584 -0.592 0.000 1.181 240 A CA 1.874 53.620 52.037 -0.485 0.000 0.620 240 A CB -1.031 17.171 19.000 -1.330 0.000 0.819 240 A HN 0.369 nan 8.150 nan 0.000 0.442 241 I N -0.498 119.630 120.570 -0.736 0.000 2.151 241 I HA -0.337 3.832 4.170 -0.001 0.000 0.243 241 I C 2.723 178.637 176.117 -0.338 0.000 1.080 241 I CA 1.753 62.576 61.300 -0.796 0.000 1.339 241 I CB -0.330 37.345 38.000 -0.542 0.000 1.039 241 I HN 0.299 nan 8.210 nan 0.000 0.409 242 R N -0.712 119.618 120.500 -0.284 0.000 2.148 242 R HA -0.182 4.157 4.340 -0.001 0.000 0.227 242 R C 2.296 178.437 176.300 -0.265 0.000 1.103 242 R CA 1.271 57.244 56.100 -0.211 0.000 0.983 242 R CB -0.456 29.720 30.300 -0.207 0.000 0.874 242 R HN 0.385 nan 8.270 nan 0.000 0.451 243 Y N 0.418 120.376 120.300 -0.570 0.000 2.220 243 Y HA -0.145 4.404 4.550 -0.001 0.000 0.291 243 Y C 1.699 177.463 175.900 -0.227 0.000 1.129 243 Y CA 1.228 58.985 58.100 -0.572 0.000 1.161 243 Y CB -0.194 37.666 38.460 -1.001 0.000 0.997 243 Y HN -0.155 nan 8.280 nan 0.000 0.522 244 F N -0.851 118.894 119.950 -0.343 0.000 2.171 244 F HA -0.202 4.324 4.527 -0.001 0.000 0.300 244 F C 2.380 178.169 175.800 -0.020 0.000 1.090 244 F CA 1.400 59.224 58.000 -0.293 0.000 1.293 244 F CB -0.954 37.599 39.000 -0.745 0.000 1.013 244 F HN -0.109 nan 8.300 nan 0.000 0.486 245 V N -0.138 119.891 119.914 0.192 0.000 2.255 245 V HA -0.321 3.799 4.120 -0.001 0.000 0.247 245 V C 2.504 178.627 176.094 0.049 0.000 1.051 245 V CA 2.202 64.649 62.300 0.244 0.000 1.018 245 V CB -1.191 30.724 31.823 0.152 0.000 0.641 245 V HN 0.510 nan 8.190 nan 0.000 0.445 246 S N -0.404 115.230 115.700 -0.110 0.000 2.419 246 S HA -0.168 4.302 4.470 -0.001 0.000 0.233 246 S C 1.599 176.066 174.600 -0.223 0.000 1.016 246 S CA 1.193 59.291 58.200 -0.169 0.000 0.974 246 S CB -0.368 62.699 63.200 -0.222 0.000 0.786 246 S HN 0.624 nan 8.310 nan 0.000 0.492 247 E N 1.029 121.046 120.200 -0.305 0.000 2.502 247 E HA 0.194 4.544 4.350 -0.001 0.000 0.194 247 E C 1.304 177.769 176.600 -0.225 0.000 1.062 247 E CA 0.529 56.750 56.400 -0.299 0.000 0.867 247 E CB -0.245 29.231 29.700 -0.374 0.000 0.888 247 E HN 0.755 nan 8.360 nan 0.000 0.510 248 G N 1.272 110.021 108.800 -0.084 0.000 2.136 248 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.242 248 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.242 248 G C 0.032 174.913 174.900 -0.031 0.000 0.989 248 G CA -0.165 44.898 45.100 -0.062 0.000 0.682 248 G HN 0.195 nan 8.290 nan 0.000 0.522 249 F N 1.196 121.204 119.950 0.097 0.000 2.459 249 F HA 0.420 4.947 4.527 -0.001 0.000 0.346 249 F C 1.207 177.202 175.800 0.325 0.000 1.128 249 F CA 0.140 58.266 58.000 0.210 0.000 1.268 249 F CB 0.626 39.771 39.000 0.241 0.000 1.161 249 F HN 0.122 nan 8.300 nan 0.000 0.583 250 E N 3.581 124.042 120.200 0.434 0.000 2.197 250 E HA 0.488 4.838 4.350 -0.001 0.000 0.281 250 E C -1.037 175.712 176.600 0.250 0.000 0.995 250 E CA -0.421 56.162 56.400 0.304 0.000 0.808 250 E CB 1.330 31.185 29.700 0.259 0.000 1.093 250 E HN 0.463 nan 8.360 nan 0.000 0.394 251 F N 0.127 120.015 119.950 -0.103 0.000 2.773 251 F HA 0.572 5.098 4.527 -0.001 0.000 0.314 251 F C -1.742 174.071 175.800 0.021 0.000 1.160 251 F CA -1.390 56.332 58.000 -0.463 0.000 0.920 251 F CB 0.874 39.686 39.000 -0.314 0.000 1.323 251 F HN 0.117 nan 8.300 nan 0.000 0.457 252 F N 1.220 121.103 119.950 -0.111 0.000 2.507 252 F HA 0.675 5.201 4.527 -0.000 0.000 0.327 252 F C -0.105 175.775 175.800 0.133 0.000 1.068 252 F CA -2.299 55.590 58.000 -0.186 0.000 0.965 252 F CB 1.663 40.263 39.000 -0.666 0.000 1.192 252 F HN 0.891 nan 8.300 nan 0.000 0.476 253 C N 2.626 122.117 119.300 0.318 0.000 2.571 253 C HA 0.804 5.264 4.460 -0.001 0.000 0.343 253 C C -0.440 174.738 174.990 0.313 0.000 1.082 253 C CA -0.584 58.677 59.018 0.406 0.000 1.339 253 C CB -0.685 27.227 27.740 0.287 0.000 1.893 253 C HN 0.955 nan 8.230 nan 0.000 0.445 254 A N 6.070 129.160 122.820 0.450 0.000 2.350 254 A HA 0.581 4.901 4.320 -0.001 0.000 0.293 254 A C -0.084 177.596 177.584 0.161 0.000 1.231 254 A CA 0.034 52.267 52.037 0.327 0.000 0.883 254 A CB 0.240 19.478 19.000 0.396 0.000 1.133 254 A HN 0.911 nan 8.150 nan 0.000 0.533 255 Q N 1.468 121.310 119.800 0.070 0.000 2.282 255 Q HA 0.578 4.918 4.340 -0.001 0.000 0.260 255 Q C -0.295 175.595 176.000 -0.182 0.000 0.964 255 Q CA -0.486 55.258 55.803 -0.098 0.000 0.880 255 Q CB 1.971 30.611 28.738 -0.164 0.000 1.286 255 Q HN 0.643 nan 8.270 nan 0.000 0.445 256 S N 1.159 116.656 115.700 -0.339 0.000 2.532 256 S HA 0.558 5.028 4.470 -0.001 0.000 0.301 256 S C -0.785 173.453 174.600 -0.604 0.000 1.083 256 S CA -0.581 57.424 58.200 -0.325 0.000 1.025 256 S CB 0.508 63.562 63.200 -0.242 0.000 1.056 256 S HN 0.575 nan 8.310 nan 0.000 0.494 257 F N 2.065 122.031 119.950 0.027 0.000 2.654 257 F HA 0.313 4.840 4.527 -0.001 0.000 0.303 257 F C 2.118 177.918 175.800 -0.001 0.000 1.099 257 F CA -0.336 57.708 58.000 0.073 0.000 1.270 257 F CB 0.105 39.088 39.000 -0.028 0.000 1.024 257 F HN 0.499 nan 8.300 nan 0.000 0.548 258 S N 0.360 116.033 115.700 -0.044 0.000 2.383 258 S HA -0.185 4.285 4.470 -0.001 0.000 0.229 258 S C 1.975 176.233 174.600 -0.570 0.000 1.030 258 S CA 1.602 59.646 58.200 -0.260 0.000 1.002 258 S CB -0.018 63.057 63.200 -0.209 0.000 0.829 258 S HN 0.288 nan 8.310 nan 0.000 0.467 259 K N 1.433 121.649 120.400 -0.307 0.000 2.172 259 K HA 0.124 4.444 4.320 -0.001 0.000 0.203 259 K C 1.688 178.470 176.600 0.304 0.000 1.040 259 K CA 0.888 57.069 56.287 -0.176 0.000 0.974 259 K CB -0.251 32.085 32.500 -0.274 0.000 0.857 259 K HN 0.349 nan 8.250 nan 0.000 0.464 260 N N -0.074 118.903 118.700 0.463 0.000 2.453 260 N HA -0.115 4.624 4.740 -0.001 0.000 0.183 260 N C 0.875 176.658 175.510 0.456 0.000 1.041 260 N CA 1.193 54.535 53.050 0.487 0.000 0.900 260 N CB -0.298 38.486 38.487 0.494 0.000 0.961 260 N HN 0.094 nan 8.380 nan 0.000 0.443 261 F N -0.677 119.475 119.950 0.337 0.000 2.704 261 F HA 0.404 4.930 4.527 -0.001 0.000 0.304 261 F C 1.647 177.496 175.800 0.081 0.000 1.094 261 F CA 0.198 58.328 58.000 0.217 0.000 1.275 261 F CB 0.375 39.414 39.000 0.064 0.000 1.073 261 F HN 0.191 nan 8.300 nan 0.000 0.586 262 G N 1.183 110.074 108.800 0.152 0.000 2.198 262 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.260 262 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.260 262 G C 0.530 175.475 174.900 0.075 0.000 1.025 262 G CA 0.268 45.426 45.100 0.097 0.000 0.769 262 G HN 0.381 nan 8.290 nan 0.000 0.507 263 L N -0.080 121.123 121.223 -0.033 0.000 2.912 263 L HA 0.286 4.626 4.340 -0.001 0.000 0.240 263 L C 2.150 179.044 176.870 0.040 0.000 1.262 263 L CA -0.795 54.075 54.840 0.050 0.000 1.058 263 L CB -0.402 41.679 42.059 0.036 0.000 1.383 263 L HN 0.306 nan 8.230 nan 0.000 0.512 264 Y N 0.954 121.319 120.300 0.108 0.000 2.038 264 Y HA -0.410 4.139 4.550 -0.001 0.000 0.266 264 Y C 2.396 178.324 175.900 0.047 0.000 1.220 264 Y CA 2.118 60.271 58.100 0.088 0.000 1.107 264 Y CB -0.749 37.775 38.460 0.106 0.000 0.932 264 Y HN 0.569 nan 8.280 nan 0.000 0.500 265 N N -0.351 118.476 118.700 0.212 0.000 2.383 265 N HA -0.066 4.673 4.740 -0.001 0.000 0.192 265 N C 0.596 176.123 175.510 0.028 0.000 1.141 265 N CA 0.678 53.783 53.050 0.092 0.000 0.851 265 N CB -0.215 38.312 38.487 0.067 0.000 0.976 265 N HN 0.396 nan 8.380 nan 0.000 0.465 266 E N 0.539 120.746 120.200 0.013 0.000 2.476 266 E HA 0.105 4.454 4.350 -0.001 0.000 0.199 266 E C -0.227 176.319 176.600 -0.090 0.000 1.021 266 E CA -0.122 56.249 56.400 -0.049 0.000 0.907 266 E CB 0.261 29.922 29.700 -0.066 0.000 0.974 266 E HN 0.137 nan 8.360 nan 0.000 0.489 267 R N -0.143 120.323 120.500 -0.058 0.000 3.144 267 R HA -0.107 4.233 4.340 -0.001 0.000 0.255 267 R C -0.793 175.433 176.300 -0.124 0.000 0.949 267 R CA 0.197 56.248 56.100 -0.081 0.000 0.649 267 R CB -3.146 27.080 30.300 -0.122 0.000 1.229 267 R HN -0.077 nan 8.270 nan 0.000 0.440 268 V N 0.136 120.010 119.914 -0.067 0.000 2.334 268 V HA 0.825 4.945 4.120 -0.001 0.000 0.281 268 V C 1.147 177.353 176.094 0.187 0.000 1.016 268 V CA 0.049 62.310 62.300 -0.064 0.000 0.832 268 V CB 1.946 33.689 31.823 -0.133 0.000 0.999 268 V HN 0.590 nan 8.190 nan 0.000 0.439 269 G N 3.342 112.271 108.800 0.216 0.000 2.766 269 G HA2 0.685 4.644 3.960 -0.001 0.000 0.288 269 G HA3 0.685 4.644 3.960 -0.001 0.000 0.288 269 G C -1.670 173.519 174.900 0.482 0.000 1.408 269 G CA -0.806 44.500 45.100 0.343 0.000 0.852 269 G HN 0.589 nan 8.290 nan 0.000 0.487 270 N N -1.369 117.539 118.700 0.347 0.000 2.371 270 N HA 0.448 5.188 4.740 -0.001 0.000 0.280 270 N C -1.731 173.865 175.510 0.142 0.000 1.084 270 N CA -0.594 52.611 53.050 0.258 0.000 0.892 270 N CB 2.135 40.711 38.487 0.149 0.000 1.653 270 N HN 0.461 nan 8.380 nan 0.000 0.480 271 L N 2.899 124.180 121.223 0.096 0.000 2.259 271 L HA 0.558 4.898 4.340 -0.001 0.000 0.288 271 L C -0.543 176.277 176.870 -0.084 0.000 1.051 271 L CA 0.083 54.932 54.840 0.015 0.000 0.824 271 L CB 0.633 42.663 42.059 -0.048 0.000 1.206 271 L HN 0.575 nan 8.230 nan 0.000 0.429 272 T N 4.487 119.000 114.554 -0.069 0.000 2.817 272 T HA 0.472 4.821 4.350 -0.001 0.000 0.293 272 T C -0.359 174.221 174.700 -0.199 0.000 0.964 272 T CA -0.239 61.787 62.100 -0.123 0.000 1.085 272 T CB 1.000 69.816 68.868 -0.088 0.000 0.921 272 T HN 0.339 nan 8.240 nan 0.000 0.502 273 V N 4.635 124.413 119.914 -0.227 0.000 2.409 273 V HA 0.389 4.508 4.120 -0.001 0.000 0.291 273 V C -0.199 175.782 176.094 -0.189 0.000 1.020 273 V CA -0.771 61.409 62.300 -0.201 0.000 0.848 273 V CB 1.798 33.465 31.823 -0.258 0.000 0.990 273 V HN 0.679 nan 8.190 nan 0.000 0.430 274 V N 4.758 124.510 119.914 -0.271 0.000 2.347 274 V HA 0.831 4.950 4.120 -0.001 0.000 0.280 274 V C 0.707 176.740 176.094 -0.101 0.000 1.021 274 V CA 0.093 62.217 62.300 -0.294 0.000 0.847 274 V CB 1.111 32.534 31.823 -0.666 0.000 0.990 274 V HN 0.957 nan 8.190 nan 0.000 0.444 275 G N 3.153 111.936 108.800 -0.028 0.000 3.175 275 G HA2 0.468 4.427 3.960 -0.001 0.000 0.255 275 G HA3 0.468 4.427 3.960 -0.001 0.000 0.255 275 G C 0.273 175.200 174.900 0.046 0.000 1.352 275 G CA -0.347 44.779 45.100 0.044 0.000 1.037 275 G HN 0.565 nan 8.290 nan 0.000 0.556 276 K N -1.229 119.206 120.400 0.059 0.000 2.202 276 K HA 0.260 4.580 4.320 -0.001 0.000 0.201 276 K C 0.333 176.951 176.600 0.029 0.000 1.051 276 K CA 1.229 57.547 56.287 0.052 0.000 0.977 276 K CB 0.308 32.848 32.500 0.067 0.000 0.792 276 K HN 0.517 nan 8.250 nan 0.000 0.469 277 E N -2.141 118.072 120.200 0.022 0.000 2.416 277 E HA 0.160 4.510 4.350 -0.001 0.000 0.280 277 E C -2.765 173.836 176.600 0.002 0.000 1.055 277 E CA -1.301 55.104 56.400 0.010 0.000 0.825 277 E CB 0.751 30.458 29.700 0.011 0.000 1.312 277 E HN -0.139 nan 8.360 nan 0.000 0.452 278 P HA -0.153 nan 4.420 nan 0.000 0.216 278 P C 0.983 178.276 177.300 -0.012 0.000 1.153 278 P CA 2.065 65.158 63.100 -0.012 0.000 0.858 278 P CB 0.089 31.781 31.700 -0.013 0.000 0.789 279 E N -0.388 119.808 120.200 -0.008 0.000 2.150 279 E HA -0.125 4.225 4.350 -0.001 0.000 0.193 279 E C 2.093 178.688 176.600 -0.008 0.000 0.985 279 E CA 1.649 58.043 56.400 -0.010 0.000 0.814 279 E CB -0.843 28.852 29.700 -0.008 0.000 0.752 279 E HN 0.360 nan 8.360 nan 0.000 0.466 280 S N 0.406 116.108 115.700 0.003 0.000 2.414 280 S HA -0.033 4.436 4.470 -0.001 0.000 0.227 280 S C 1.946 176.551 174.600 0.009 0.000 1.022 280 S CA 0.244 58.453 58.200 0.015 0.000 0.958 280 S CB -0.128 63.096 63.200 0.039 0.000 0.797 280 S HN 0.035 nan 8.310 nan 0.000 0.493 281 I N 2.287 122.854 120.570 -0.004 0.000 2.208 281 I HA -0.096 4.073 4.170 -0.001 0.000 0.245 281 I C 2.397 178.489 176.117 -0.041 0.000 1.097 281 I CA 0.989 62.272 61.300 -0.029 0.000 1.363 281 I CB -1.275 36.703 38.000 -0.037 0.000 1.051 281 I HN 0.312 nan 8.210 nan 0.000 0.413 282 L N 0.138 121.342 121.223 -0.033 0.000 2.079 282 L HA -0.233 4.106 4.340 -0.001 0.000 0.210 282 L C 2.551 179.397 176.870 -0.040 0.000 1.081 282 L CA 1.701 56.519 54.840 -0.036 0.000 0.752 282 L CB -1.221 40.820 42.059 -0.029 0.000 0.896 282 L HN 0.358 nan 8.230 nan 0.000 0.433 283 Q N -0.352 119.426 119.800 -0.036 0.000 2.079 283 Q HA -0.121 4.218 4.340 -0.001 0.000 0.200 283 Q C 2.210 178.189 176.000 -0.036 0.000 0.974 283 Q CA 1.513 57.286 55.803 -0.050 0.000 0.840 283 Q CB -0.165 28.540 28.738 -0.054 0.000 0.898 283 Q HN 0.235 nan 8.270 nan 0.000 0.430 284 V N 0.620 120.523 119.914 -0.018 0.000 2.287 284 V HA -0.287 3.833 4.120 -0.001 0.000 0.248 284 V C 2.317 178.345 176.094 -0.110 0.000 1.053 284 V CA 1.899 64.162 62.300 -0.063 0.000 1.027 284 V CB -0.608 31.104 31.823 -0.184 0.000 0.646 284 V HN 0.422 nan 8.190 nan 0.000 0.447 285 L N 0.676 121.838 121.223 -0.101 0.000 2.083 285 L HA -0.176 4.164 4.340 -0.001 0.000 0.209 285 L C 2.687 179.532 176.870 -0.041 0.000 1.083 285 L CA 1.907 56.697 54.840 -0.083 0.000 0.752 285 L CB -0.768 41.249 42.059 -0.070 0.000 0.899 285 L HN 0.568 nan 8.230 nan 0.000 0.433 286 S N -1.269 114.411 115.700 -0.033 0.000 2.402 286 S HA -0.173 4.297 4.470 -0.001 0.000 0.229 286 S C 1.884 176.489 174.600 0.008 0.000 1.021 286 S CA 0.608 58.795 58.200 -0.021 0.000 0.974 286 S CB -0.228 62.951 63.200 -0.034 0.000 0.800 286 S HN 0.394 nan 8.310 nan 0.000 0.484 287 Q N 0.647 120.470 119.800 0.039 0.000 2.123 287 Q HA 0.175 4.514 4.340 -0.001 0.000 0.199 287 Q C 2.238 178.362 176.000 0.207 0.000 0.966 287 Q CA 0.855 56.751 55.803 0.155 0.000 0.845 287 Q CB -0.486 28.385 28.738 0.222 0.000 0.907 287 Q HN 0.496 nan 8.270 nan 0.000 0.439 288 M N 0.696 120.371 119.600 0.125 0.000 2.108 288 M HA -0.142 4.338 4.480 -0.001 0.000 0.261 288 M C 1.808 178.110 176.300 0.003 0.000 1.066 288 M CA 1.372 56.702 55.300 0.051 0.000 1.107 288 M CB -0.891 31.671 32.600 -0.064 0.000 1.356 288 M HN 0.268 nan 8.290 nan 0.000 0.406 289 E N 0.238 120.436 120.200 -0.003 0.000 2.085 289 E HA -0.215 4.134 4.350 -0.001 0.000 0.194 289 E C 2.048 178.629 176.600 -0.031 0.000 0.994 289 E CA 1.243 57.629 56.400 -0.023 0.000 0.801 289 E CB -0.141 29.549 29.700 -0.016 0.000 0.743 289 E HN 0.542 nan 8.360 nan 0.000 0.453 290 K N 0.358 120.763 120.400 0.008 0.000 2.097 290 K HA -0.080 4.240 4.320 -0.001 0.000 0.205 290 K C 2.160 178.747 176.600 -0.021 0.000 1.050 290 K CA 0.892 57.185 56.287 0.010 0.000 0.938 290 K CB -0.034 32.504 32.500 0.063 0.000 0.718 290 K HN 0.132 nan 8.250 nan 0.000 0.442 291 I N 0.531 121.096 120.570 -0.008 0.000 2.252 291 I HA -0.245 3.925 4.170 -0.001 0.000 0.245 291 I C 2.180 178.158 176.117 -0.232 0.000 1.102 291 I CA 0.911 62.171 61.300 -0.067 0.000 1.385 291 I CB -0.241 37.761 38.000 0.004 0.000 1.064 291 I HN -0.083 nan 8.210 nan 0.000 0.414 292 V N 1.092 120.835 119.914 -0.286 0.000 2.343 292 V HA -0.289 3.831 4.120 -0.001 0.000 0.247 292 V C 2.653 178.492 176.094 -0.425 0.000 1.051 292 V CA 2.037 64.010 62.300 -0.544 0.000 1.036 292 V CB -0.757 30.849 31.823 -0.362 0.000 0.654 292 V HN 0.403 nan 8.190 nan 0.000 0.451 293 R N 1.450 121.819 120.500 -0.218 0.000 2.105 293 R HA -0.114 4.225 4.340 -0.001 0.000 0.239 293 R C 1.911 178.133 176.300 -0.130 0.000 1.135 293 R CA 2.091 58.103 56.100 -0.146 0.000 0.967 293 R CB -0.726 29.519 30.300 -0.091 0.000 0.861 293 R HN 0.718 nan 8.270 nan 0.000 0.442 294 I N -2.810 117.679 120.570 -0.135 0.000 3.793 294 I HA 0.211 4.380 4.170 -0.001 0.000 0.315 294 I C 0.137 176.190 176.117 -0.106 0.000 1.275 294 I CA 0.455 61.698 61.300 -0.094 0.000 1.214 294 I CB 0.249 38.209 38.000 -0.067 0.000 1.018 294 I HN -0.038 nan 8.210 nan 0.000 0.439 295 T N 0.557 114.992 114.554 -0.198 0.000 3.205 295 T HA 0.080 4.430 4.350 -0.001 0.000 0.238 295 T C 0.758 175.473 174.700 0.025 0.000 0.974 295 T CA 0.835 62.838 62.100 -0.162 0.000 1.246 295 T CB -0.114 68.511 68.868 -0.404 0.000 1.007 295 T HN 0.754 nan 8.240 nan 0.000 0.414 296 W N 0.237 121.546 121.300 0.016 0.000 2.304 296 W HA 0.742 5.402 4.660 -0.001 0.000 0.326 296 W C 0.907 177.426 176.519 0.000 0.000 0.920 296 W CA -0.226 57.127 57.345 0.014 0.000 1.518 296 W CB -0.133 29.341 29.460 0.022 0.000 1.112 296 W HN 0.274 nan 8.180 nan 0.000 0.528 297 S N 1.050 116.781 115.700 0.051 0.000 1.552 297 S HA -0.341 4.128 4.470 -0.001 0.000 0.237 297 S C 0.176 174.804 174.600 0.047 0.000 0.756 297 S CA 2.369 60.572 58.200 0.004 0.000 1.349 297 S CB -1.745 61.447 63.200 -0.013 0.000 1.675 297 S HN 0.920 nan 8.310 nan 0.000 0.517 298 N N 0.479 119.327 118.700 0.247 0.000 2.961 298 N HA 0.677 5.417 4.740 -0.001 0.000 0.245 298 N C -3.372 172.346 175.510 0.346 0.000 1.404 298 N CA -1.089 52.121 53.050 0.267 0.000 0.880 298 N CB 1.488 40.027 38.487 0.087 0.000 1.461 298 N HN 0.303 nan 8.380 nan 0.000 0.510 299 P HA 0.530 nan 4.420 nan 0.000 0.285 299 P C -2.793 174.484 177.300 -0.038 0.000 1.285 299 P CA -1.482 61.616 63.100 -0.003 0.000 0.854 299 P CB 0.661 32.358 31.700 -0.006 0.000 1.180 300 P HA 0.210 nan 4.420 nan 0.000 0.282 300 P C 0.072 177.294 177.300 -0.130 0.000 1.249 300 P CA -0.280 62.758 63.100 -0.103 0.000 0.806 300 P CB 0.929 32.547 31.700 -0.136 0.000 0.984 301 A N 1.880 124.650 122.820 -0.084 0.000 1.943 301 A HA -0.125 4.195 4.320 -0.001 0.000 0.213 301 A C 2.255 179.750 177.584 -0.147 0.000 1.181 301 A CA 1.210 53.185 52.037 -0.103 0.000 0.653 301 A CB -0.893 18.084 19.000 -0.038 0.000 0.833 301 A HN 0.547 nan 8.150 nan 0.000 0.451 302 Q N 0.315 120.046 119.800 -0.114 0.000 2.002 302 Q HA -0.064 4.276 4.340 -0.001 0.000 0.204 302 Q C 1.949 177.846 176.000 -0.172 0.000 0.988 302 Q CA 2.539 58.276 55.803 -0.110 0.000 0.843 302 Q CB -1.013 27.685 28.738 -0.068 0.000 0.908 302 Q HN 0.450 nan 8.270 nan 0.000 0.420 303 G N -0.119 108.554 108.800 -0.212 0.000 2.421 303 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.216 303 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.216 303 G C 1.515 176.153 174.900 -0.437 0.000 1.171 303 G CA 1.091 46.025 45.100 -0.277 0.000 0.775 303 G HN 0.558 nan 8.290 nan 0.000 0.543 304 A N 0.937 123.420 122.820 -0.561 0.000 1.908 304 A HA -0.093 4.227 4.320 -0.001 0.000 0.218 304 A C 2.441 179.766 177.584 -0.433 0.000 1.181 304 A CA 1.837 53.380 52.037 -0.823 0.000 0.627 304 A CB -0.446 18.021 19.000 -0.889 0.000 0.818 304 A HN 0.383 nan 8.150 nan 0.000 0.445 305 R N -0.625 119.706 120.500 -0.281 0.000 2.091 305 R HA -0.092 4.248 4.340 -0.001 0.000 0.238 305 R C 2.011 178.202 176.300 -0.182 0.000 1.136 305 R CA 1.676 57.669 56.100 -0.178 0.000 0.959 305 R CB -0.542 29.679 30.300 -0.131 0.000 0.856 305 R HN 0.608 nan 8.270 nan 0.000 0.437 306 I N 0.070 120.509 120.570 -0.219 0.000 2.179 306 I HA -0.262 3.908 4.170 -0.001 0.000 0.242 306 I C 2.256 178.196 176.117 -0.294 0.000 1.088 306 I CA 1.155 62.335 61.300 -0.200 0.000 1.357 306 I CB -0.281 37.614 38.000 -0.176 0.000 1.051 306 I HN -0.026 nan 8.210 nan 0.000 0.409 307 V N 1.004 120.599 119.914 -0.531 0.000 2.307 307 V HA -0.276 3.844 4.120 -0.001 0.000 0.245 307 V C 2.752 178.605 176.094 -0.402 0.000 1.045 307 V CA 1.951 63.745 62.300 -0.844 0.000 1.024 307 V CB -1.032 30.111 31.823 -1.134 0.000 0.651 307 V HN 0.491 nan 8.190 nan 0.000 0.449 308 A N -0.031 122.668 122.820 -0.201 0.000 1.917 308 A HA -0.243 4.076 4.320 -0.001 0.000 0.219 308 A C 2.473 180.010 177.584 -0.078 0.000 1.182 308 A CA 2.524 54.507 52.037 -0.090 0.000 0.633 308 A CB -0.767 18.218 19.000 -0.026 0.000 0.819 308 A HN 0.540 nan 8.150 nan 0.000 0.448 309 S N -0.551 115.100 115.700 -0.083 0.000 2.383 309 S HA -0.113 4.357 4.470 -0.001 0.000 0.227 309 S C 2.021 176.617 174.600 -0.006 0.000 1.026 309 S CA 1.699 59.874 58.200 -0.041 0.000 0.981 309 S CB -0.558 62.617 63.200 -0.042 0.000 0.818 309 S HN 0.710 nan 8.310 nan 0.000 0.472 310 T N 3.045 117.592 114.554 -0.012 0.000 2.701 310 T HA 0.090 4.440 4.350 -0.001 0.000 0.263 310 T C 1.784 176.558 174.700 0.123 0.000 1.040 310 T CA 0.958 63.092 62.100 0.058 0.000 1.147 310 T CB -0.430 68.494 68.868 0.093 0.000 0.865 310 T HN 0.241 nan 8.240 nan 0.000 0.426 311 L N 1.663 122.927 121.223 0.068 0.000 2.156 311 L HA -0.027 4.313 4.340 -0.001 0.000 0.208 311 L C 2.723 179.661 176.870 0.114 0.000 1.095 311 L CA 1.219 56.172 54.840 0.189 0.000 0.770 311 L CB -0.669 41.427 42.059 0.062 0.000 0.914 311 L HN 0.363 nan 8.230 nan 0.000 0.439 312 S N -1.486 114.234 115.700 0.033 0.000 2.561 312 S HA -0.053 4.417 4.470 -0.001 0.000 0.225 312 S C 0.796 175.404 174.600 0.013 0.000 0.977 312 S CA -0.173 58.026 58.200 -0.002 0.000 0.926 312 S CB -0.390 62.798 63.200 -0.019 0.000 0.769 312 S HN 0.417 nan 8.310 nan 0.000 0.533 313 N N 1.494 120.230 118.700 0.060 0.000 2.407 313 N HA 0.317 5.057 4.740 -0.001 0.000 0.277 313 N C -2.495 173.085 175.510 0.116 0.000 0.995 313 N CA -1.920 51.169 53.050 0.065 0.000 0.903 313 N CB 2.087 40.613 38.487 0.064 0.000 1.218 313 N HN -0.143 nan 8.380 nan 0.000 0.487 314 P HA -0.169 nan 4.420 nan 0.000 0.216 314 P C 1.161 178.567 177.300 0.176 0.000 1.153 314 P CA 1.160 64.321 63.100 0.101 0.000 0.858 314 P CB 0.331 32.056 31.700 0.043 0.000 0.789 315 E N -0.621 119.654 120.200 0.125 0.000 2.047 315 E HA -0.110 4.239 4.350 -0.001 0.000 0.191 315 E C 2.086 178.769 176.600 0.138 0.000 0.987 315 E CA 0.871 57.340 56.400 0.115 0.000 0.799 315 E CB -1.216 28.528 29.700 0.073 0.000 0.752 315 E HN 0.186 nan 8.360 nan 0.000 0.449 316 L N -0.724 120.584 121.223 0.143 0.000 2.093 316 L HA 0.014 4.353 4.340 -0.001 0.000 0.208 316 L C 2.488 179.487 176.870 0.216 0.000 1.085 316 L CA 1.647 56.572 54.840 0.142 0.000 0.755 316 L CB -0.551 41.574 42.059 0.110 0.000 0.904 316 L HN 0.311 nan 8.230 nan 0.000 0.435 317 F N 1.174 121.206 119.950 0.137 0.000 2.095 317 F HA -0.276 4.251 4.527 -0.001 0.000 0.298 317 F C 2.571 178.504 175.800 0.221 0.000 1.104 317 F CA 2.067 60.204 58.000 0.228 0.000 1.232 317 F CB -0.118 38.988 39.000 0.176 0.000 0.987 317 F HN 0.092 nan 8.300 nan 0.000 0.475 318 E N 0.123 120.498 120.200 0.290 0.000 2.051 318 E HA -0.308 4.042 4.350 -0.001 0.000 0.192 318 E C 2.269 178.872 176.600 0.004 0.000 0.991 318 E CA 1.488 57.964 56.400 0.127 0.000 0.799 318 E CB -0.396 29.394 29.700 0.150 0.000 0.748 318 E HN 0.669 nan 8.360 nan 0.000 0.449 319 E N -0.298 119.929 120.200 0.046 0.000 2.085 319 E HA -0.229 4.121 4.350 -0.001 0.000 0.194 319 E C 1.793 178.379 176.600 -0.023 0.000 0.994 319 E CA 1.454 57.864 56.400 0.017 0.000 0.801 319 E CB -0.358 29.369 29.700 0.044 0.000 0.743 319 E HN 0.443 nan 8.360 nan 0.000 0.453 320 W N 1.713 122.880 121.300 -0.223 0.000 2.358 320 W HA -0.195 4.465 4.660 -0.001 0.000 0.303 320 W C 2.392 178.681 176.519 -0.383 0.000 1.208 320 W CA 2.972 60.106 57.345 -0.352 0.000 1.274 320 W CB -0.844 28.346 29.460 -0.451 0.000 1.138 320 W HN 0.162 nan 8.180 nan 0.000 0.515 321 T N -2.360 111.788 114.554 -0.678 0.000 2.867 321 T HA -0.036 4.314 4.350 -0.001 0.000 0.268 321 T C 2.038 176.422 174.700 -0.527 0.000 1.057 321 T CA 1.502 63.097 62.100 -0.843 0.000 1.136 321 T CB -1.275 67.217 68.868 -0.626 0.000 0.874 321 T HN 0.223 nan 8.240 nan 0.000 0.466 322 G N 1.644 110.253 108.800 -0.318 0.000 2.418 322 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.217 322 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.217 322 G C 1.567 176.362 174.900 -0.175 0.000 1.158 322 G CA 0.820 45.804 45.100 -0.193 0.000 0.771 322 G HN 0.673 nan 8.290 nan 0.000 0.545 323 N N -0.014 118.571 118.700 -0.191 0.000 2.142 323 N HA -0.079 4.660 4.740 -0.001 0.000 0.186 323 N C 2.183 177.593 175.510 -0.166 0.000 1.023 323 N CA 0.898 53.919 53.050 -0.048 0.000 0.852 323 N CB -0.094 38.332 38.487 -0.102 0.000 0.998 323 N HN 0.159 nan 8.380 nan 0.000 0.424 324 V N 1.590 121.205 119.914 -0.498 0.000 2.332 324 V HA -0.251 3.869 4.120 -0.001 0.000 0.248 324 V C 2.319 178.126 176.094 -0.477 0.000 1.055 324 V CA 1.566 63.498 62.300 -0.614 0.000 1.038 324 V CB -0.444 30.831 31.823 -0.914 0.000 0.651 324 V HN 0.219 nan 8.190 nan 0.000 0.450 325 K N 0.420 120.595 120.400 -0.374 0.000 2.103 325 K HA -0.162 4.158 4.320 -0.001 0.000 0.207 325 K C 2.147 178.628 176.600 -0.198 0.000 1.048 325 K CA 2.117 58.249 56.287 -0.257 0.000 0.930 325 K CB -0.959 31.424 32.500 -0.196 0.000 0.716 325 K HN 0.518 nan 8.250 nan 0.000 0.444 326 T N 0.778 115.229 114.554 -0.172 0.000 2.746 326 T HA -0.133 4.216 4.350 -0.001 0.000 0.267 326 T C 1.829 176.400 174.700 -0.215 0.000 1.039 326 T CA 1.734 63.738 62.100 -0.159 0.000 1.142 326 T CB -0.138 68.657 68.868 -0.122 0.000 0.866 326 T HN 0.209 nan 8.240 nan 0.000 0.444 327 M N 0.671 120.091 119.600 -0.299 0.000 2.099 327 M HA -0.016 4.463 4.480 -0.001 0.000 0.262 327 M C 2.869 179.101 176.300 -0.113 0.000 1.067 327 M CA 1.496 56.566 55.300 -0.384 0.000 1.124 327 M CB -0.473 31.778 32.600 -0.581 0.000 1.353 327 M HN 0.307 nan 8.290 nan 0.000 0.410 328 A N 0.515 123.217 122.820 -0.196 0.000 1.902 328 A HA -0.198 4.121 4.320 -0.001 0.000 0.217 328 A C 1.696 179.266 177.584 -0.023 0.000 1.181 328 A CA 2.076 54.062 52.037 -0.086 0.000 0.623 328 A CB -0.759 18.141 19.000 -0.167 0.000 0.818 328 A HN 0.399 nan 8.150 nan 0.000 0.443 329 D N -0.909 119.456 120.400 -0.057 0.000 2.144 329 D HA -0.122 4.518 4.640 -0.001 0.000 0.200 329 D C 2.073 178.369 176.300 -0.005 0.000 0.978 329 D CA 1.062 55.043 54.000 -0.033 0.000 0.833 329 D CB -0.342 40.427 40.800 -0.053 0.000 0.961 329 D HN 0.464 nan 8.370 nan 0.000 0.470 330 R N 0.269 120.776 120.500 0.011 0.000 2.096 330 R HA -0.060 4.280 4.340 -0.001 0.000 0.235 330 R C 2.384 178.721 176.300 0.062 0.000 1.127 330 R CA 0.639 56.763 56.100 0.039 0.000 0.968 330 R CB -0.206 30.147 30.300 0.089 0.000 0.861 330 R HN 0.175 nan 8.270 nan 0.000 0.440 331 I N 0.745 121.380 120.570 0.108 0.000 2.179 331 I HA -0.342 3.828 4.170 -0.001 0.000 0.242 331 I C 2.216 178.364 176.117 0.051 0.000 1.088 331 I CA 1.266 62.623 61.300 0.095 0.000 1.357 331 I CB -0.261 37.824 38.000 0.142 0.000 1.051 331 I HN 0.207 nan 8.210 nan 0.000 0.409 332 L N 0.053 121.300 121.223 0.040 0.000 1.997 332 L HA -0.296 4.044 4.340 -0.001 0.000 0.216 332 L C 2.675 179.553 176.870 0.014 0.000 1.074 332 L CA 2.037 56.892 54.840 0.025 0.000 0.763 332 L CB -1.088 40.980 42.059 0.015 0.000 0.890 332 L HN 0.298 nan 8.230 nan 0.000 0.434 333 T N -0.636 113.922 114.554 0.006 0.000 2.665 333 T HA -0.232 4.118 4.350 -0.001 0.000 0.268 333 T C 1.901 176.598 174.700 -0.006 0.000 1.035 333 T CA 1.457 63.555 62.100 -0.004 0.000 1.151 333 T CB -0.153 68.708 68.868 -0.012 0.000 0.862 333 T HN 0.165 nan 8.240 nan 0.000 0.438 334 M N 0.755 120.353 119.600 -0.004 0.000 2.229 334 M HA 0.054 4.533 4.480 -0.001 0.000 0.264 334 M C 2.288 178.582 176.300 -0.009 0.000 1.063 334 M CA 1.217 56.510 55.300 -0.012 0.000 1.114 334 M CB -0.957 31.633 32.600 -0.016 0.000 1.387 334 M HN 0.238 nan 8.290 nan 0.000 0.420 335 R N -0.462 120.040 120.500 0.004 0.000 2.083 335 R HA -0.091 4.249 4.340 -0.001 0.000 0.237 335 R C 2.430 178.730 176.300 -0.001 0.000 1.137 335 R CA 1.767 57.871 56.100 0.007 0.000 0.951 335 R CB -0.455 29.860 30.300 0.024 0.000 0.851 335 R HN 0.282 nan 8.270 nan 0.000 0.434 336 S N 0.509 116.209 115.700 0.001 0.000 2.383 336 S HA -0.089 4.381 4.470 -0.001 0.000 0.227 336 S C 1.671 176.263 174.600 -0.012 0.000 1.026 336 S CA 0.993 59.193 58.200 -0.000 0.000 0.981 336 S CB -0.028 63.173 63.200 0.002 0.000 0.818 336 S HN 0.273 nan 8.310 nan 0.000 0.472 337 E N 1.069 121.257 120.200 -0.020 0.000 2.046 337 E HA -0.038 4.312 4.350 -0.001 0.000 0.190 337 E C 2.145 178.717 176.600 -0.047 0.000 0.982 337 E CA 0.543 56.925 56.400 -0.030 0.000 0.800 337 E CB -0.631 29.052 29.700 -0.029 0.000 0.756 337 E HN 0.342 nan 8.360 nan 0.000 0.449 338 L N 1.737 122.928 121.223 -0.052 0.000 2.042 338 L HA -0.162 4.178 4.340 -0.001 0.000 0.210 338 L C 2.528 179.326 176.870 -0.120 0.000 1.076 338 L CA 1.879 56.668 54.840 -0.086 0.000 0.749 338 L CB -0.458 41.554 42.059 -0.078 0.000 0.893 338 L HN -0.004 nan 8.230 nan 0.000 0.432 339 R N -0.524 119.931 120.500 -0.076 0.000 2.073 339 R HA -0.140 4.200 4.340 -0.001 0.000 0.234 339 R C 2.163 178.430 176.300 -0.055 0.000 1.134 339 R CA 1.495 57.562 56.100 -0.055 0.000 0.952 339 R CB -0.494 29.817 30.300 0.019 0.000 0.850 339 R HN 0.466 nan 8.270 nan 0.000 0.433 340 A N 1.235 124.034 122.820 -0.036 0.000 1.883 340 A HA -0.173 4.147 4.320 -0.001 0.000 0.217 340 A C 2.245 179.797 177.584 -0.054 0.000 1.186 340 A CA 1.635 53.656 52.037 -0.028 0.000 0.624 340 A CB -0.526 18.462 19.000 -0.020 0.000 0.822 340 A HN 0.400 nan 8.150 nan 0.000 0.444 341 R N -0.753 119.701 120.500 -0.077 0.000 2.120 341 R HA 0.007 4.347 4.340 -0.001 0.000 0.234 341 R C 1.976 178.194 176.300 -0.138 0.000 1.123 341 R CA 1.206 57.249 56.100 -0.095 0.000 0.975 341 R CB -0.393 29.852 30.300 -0.093 0.000 0.866 341 R HN 0.532 nan 8.270 nan 0.000 0.446 342 L N 0.148 121.247 121.223 -0.206 0.000 2.109 342 L HA -0.127 4.212 4.340 -0.001 0.000 0.207 342 L C 1.864 178.625 176.870 -0.182 0.000 1.086 342 L CA 1.305 55.954 54.840 -0.318 0.000 0.760 342 L CB -0.196 41.432 42.059 -0.718 0.000 0.910 342 L HN 0.198 nan 8.230 nan 0.000 0.437 343 E N 0.084 120.231 120.200 -0.088 0.000 2.208 343 E HA -0.120 4.229 4.350 -0.001 0.000 0.193 343 E C 2.255 178.860 176.600 0.009 0.000 0.988 343 E CA 0.869 57.286 56.400 0.030 0.000 0.828 343 E CB -0.068 29.675 29.700 0.071 0.000 0.763 343 E HN 0.463 nan 8.360 nan 0.000 0.478 344 A N 1.030 123.832 122.820 -0.030 0.000 1.929 344 A HA -0.082 4.237 4.320 -0.001 0.000 0.216 344 A C 2.019 179.567 177.584 -0.061 0.000 1.176 344 A CA 0.798 52.812 52.037 -0.038 0.000 0.628 344 A CB -0.389 18.583 19.000 -0.048 0.000 0.816 344 A HN 0.146 nan 8.150 nan 0.000 0.444 345 L N -0.933 120.229 121.223 -0.100 0.000 2.610 345 L HA -0.005 4.335 4.340 -0.001 0.000 0.232 345 L C 0.119 176.949 176.870 -0.067 0.000 1.149 345 L CA 0.122 54.849 54.840 -0.189 0.000 0.872 345 L CB -0.134 41.716 42.059 -0.348 0.000 0.992 345 L HN 0.213 nan 8.230 nan 0.000 0.447 346 K N -0.501 119.922 120.400 0.038 0.000 3.125 346 K HA -0.125 4.194 4.320 -0.001 0.000 0.268 346 K C -0.036 176.696 176.600 0.220 0.000 1.078 346 K CA 0.537 56.895 56.287 0.117 0.000 0.775 346 K CB -2.881 29.677 32.500 0.097 0.000 1.253 346 K HN 0.244 nan 8.250 nan 0.000 0.486 347 T N 2.229 116.935 114.554 0.253 0.000 2.870 347 T HA 0.297 4.647 4.350 -0.001 0.000 0.300 347 T C -1.929 173.011 174.700 0.400 0.000 0.989 347 T CA -0.937 61.352 62.100 0.315 0.000 1.139 347 T CB 0.967 69.927 68.868 0.153 0.000 0.920 347 T HN 0.006 nan 8.240 nan 0.000 0.537 348 P HA 0.441 nan 4.420 nan 0.000 0.272 348 P C 0.593 178.003 177.300 0.183 0.000 1.230 348 P CA 0.544 63.753 63.100 0.182 0.000 0.788 348 P CB 0.293 32.031 31.700 0.064 0.000 0.949 349 G N 0.403 109.190 108.800 -0.021 0.000 2.756 349 G HA2 0.021 3.981 3.960 -0.001 0.000 0.678 349 G HA3 0.021 3.981 3.960 -0.001 0.000 0.678 349 G C -0.451 174.228 174.900 -0.368 0.000 1.349 349 G CA -0.347 44.587 45.100 -0.277 0.000 0.847 349 G HN 0.755 nan 8.290 nan 0.000 0.548 350 T N -2.993 111.267 114.554 -0.489 0.000 2.934 350 T HA 0.644 4.994 4.350 -0.001 0.000 0.283 350 T C 0.226 174.588 174.700 -0.562 0.000 1.005 350 T CA 0.163 62.066 62.100 -0.328 0.000 1.041 350 T CB 1.951 70.737 68.868 -0.138 0.000 1.042 350 T HN 0.949 nan 8.240 nan 0.000 0.505 351 W N -0.380 121.020 121.300 0.168 0.000 2.252 351 W HA 0.179 4.839 4.660 -0.001 0.000 0.338 351 W C 1.828 178.377 176.519 0.050 0.000 0.914 351 W CA -0.357 57.066 57.345 0.130 0.000 1.754 351 W CB -0.391 29.086 29.460 0.028 0.000 1.135 351 W HN 0.866 nan 8.180 nan 0.000 0.531 352 N N -0.204 118.649 118.700 0.255 0.000 2.192 352 N HA -0.321 4.418 4.740 -0.001 0.000 0.188 352 N C 1.597 177.214 175.510 0.178 0.000 1.013 352 N CA 1.915 55.069 53.050 0.174 0.000 0.863 352 N CB -1.252 37.310 38.487 0.125 0.000 0.990 352 N HN 0.507 nan 8.380 nan 0.000 0.430 353 H N 0.403 119.551 119.070 0.129 0.000 2.456 353 H HA 0.066 4.621 4.556 -0.001 0.000 0.296 353 H C 1.919 177.364 175.328 0.195 0.000 1.079 353 H CA 1.094 57.240 56.048 0.164 0.000 1.322 353 H CB -0.545 29.331 29.762 0.190 0.000 1.388 353 H HN 0.321 nan 8.280 nan 0.000 0.538 354 I N 2.327 122.754 120.570 -0.238 0.000 2.163 354 I HA -0.208 3.961 4.170 -0.001 0.000 0.243 354 I C 2.606 178.737 176.117 0.023 0.000 1.085 354 I CA 2.027 63.271 61.300 -0.093 0.000 1.347 354 I CB -1.490 36.467 38.000 -0.072 0.000 1.044 354 I HN 0.474 nan 8.210 nan 0.000 0.408 355 T N -2.738 111.841 114.554 0.042 0.000 3.054 355 T HA -0.003 4.347 4.350 -0.001 0.000 0.259 355 T C 1.410 176.155 174.700 0.074 0.000 1.092 355 T CA 0.475 62.608 62.100 0.056 0.000 1.121 355 T CB -0.103 68.795 68.868 0.050 0.000 0.912 355 T HN 0.136 nan 8.240 nan 0.000 0.489 356 D N 1.568 122.028 120.400 0.100 0.000 2.149 356 D HA 0.042 4.682 4.640 -0.001 0.000 0.201 356 D C 1.068 177.442 176.300 0.123 0.000 0.972 356 D CA 0.680 54.745 54.000 0.108 0.000 0.835 356 D CB -0.231 40.646 40.800 0.129 0.000 0.966 356 D HN 0.559 nan 8.370 nan 0.000 0.476 357 Q N 0.012 119.903 119.800 0.151 0.000 2.421 357 Q HA 0.316 4.656 4.340 -0.001 0.000 0.255 357 Q C 0.001 176.076 176.000 0.124 0.000 1.013 357 Q CA -0.049 55.850 55.803 0.160 0.000 0.895 357 Q CB 1.047 29.900 28.738 0.192 0.000 1.271 357 Q HN 0.181 nan 8.270 nan 0.000 0.460 358 I N -2.389 118.258 120.570 0.128 0.000 3.239 358 I HA 0.902 5.072 4.170 -0.001 0.000 0.314 358 I C 0.360 176.539 176.117 0.103 0.000 1.126 358 I CA -0.247 61.120 61.300 0.113 0.000 0.973 358 I CB 1.348 39.419 38.000 0.119 0.000 1.252 358 I HN 0.717 nan 8.210 nan 0.000 0.463 359 G N 1.255 110.114 108.800 0.098 0.000 2.568 359 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.222 359 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.222 359 G C 0.179 175.032 174.900 -0.078 0.000 1.321 359 G CA 0.107 45.222 45.100 0.025 0.000 0.893 359 G HN 0.825 nan 8.290 nan 0.000 0.569 360 M N -0.328 119.022 119.600 -0.417 0.000 2.514 360 M HA 0.334 4.814 4.480 -0.001 0.000 0.258 360 M C 0.191 176.152 176.300 -0.566 0.000 1.119 360 M CA 0.801 55.733 55.300 -0.615 0.000 1.111 360 M CB 0.111 32.021 32.600 -1.151 0.000 1.390 360 M HN 0.267 nan 8.290 nan 0.000 0.475 361 F N -1.404 118.500 119.950 -0.076 0.000 2.541 361 F HA 0.459 4.986 4.527 -0.001 0.000 0.331 361 F C 0.292 176.105 175.800 0.021 0.000 1.057 361 F CA -1.195 56.786 58.000 -0.032 0.000 0.975 361 F CB 1.481 40.440 39.000 -0.067 0.000 1.246 361 F HN -0.360 nan 8.300 nan 0.000 0.484 362 S N 1.204 117.067 115.700 0.272 0.000 2.561 362 S HA 0.505 4.974 4.470 -0.001 0.000 0.303 362 S C -1.458 173.294 174.600 0.253 0.000 1.110 362 S CA -0.416 57.914 58.200 0.216 0.000 1.034 362 S CB 0.307 63.590 63.200 0.138 0.000 1.010 362 S HN 0.409 nan 8.310 nan 0.000 0.482 363 F N 5.026 124.994 119.950 0.030 0.000 2.377 363 F HA 0.283 4.810 4.527 -0.001 0.000 0.360 363 F C 1.844 177.714 175.800 0.117 0.000 1.147 363 F CA -0.519 57.434 58.000 -0.077 0.000 1.170 363 F CB 0.671 39.424 39.000 -0.412 0.000 1.339 363 F HN 0.784 nan 8.300 nan 0.000 0.552 364 T N 0.555 115.130 114.554 0.036 0.000 2.951 364 T HA 0.138 4.488 4.350 -0.001 0.000 0.268 364 T C 1.755 176.628 174.700 0.287 0.000 1.073 364 T CA 0.844 63.084 62.100 0.234 0.000 1.134 364 T CB -0.403 68.566 68.868 0.168 0.000 0.884 364 T HN 1.068 nan 8.240 nan 0.000 0.479 365 G N 1.120 109.888 108.800 -0.053 0.000 2.175 365 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.244 365 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.244 365 G C -0.023 174.841 174.900 -0.061 0.000 0.982 365 G CA 0.009 45.063 45.100 -0.077 0.000 0.641 365 G HN 0.652 nan 8.290 nan 0.000 0.527 366 L N 1.718 122.927 121.223 -0.023 0.000 2.453 366 L HA 0.320 4.660 4.340 -0.001 0.000 0.272 366 L C 1.085 177.913 176.870 -0.069 0.000 1.182 366 L CA -0.263 54.574 54.840 -0.006 0.000 0.858 366 L CB 0.283 42.359 42.059 0.028 0.000 1.120 366 L HN 0.545 nan 8.230 nan 0.000 0.474 367 N N 3.427 122.096 118.700 -0.052 0.000 2.379 367 N HA 0.266 5.005 4.740 -0.001 0.000 0.260 367 N C -2.255 173.229 175.510 -0.043 0.000 1.254 367 N CA -1.746 51.269 53.050 -0.058 0.000 0.958 367 N CB 0.047 38.500 38.487 -0.058 0.000 1.208 367 N HN 0.166 nan 8.380 nan 0.000 0.532 368 P HA -0.029 nan 4.420 nan 0.000 0.223 368 P C 0.720 178.014 177.300 -0.009 0.000 1.151 368 P CA 1.402 64.489 63.100 -0.022 0.000 0.787 368 P CB 0.215 31.908 31.700 -0.011 0.000 0.788 369 K N -0.440 119.955 120.400 -0.008 0.000 2.116 369 K HA -0.069 4.251 4.320 -0.001 0.000 0.203 369 K C 2.150 178.761 176.600 0.018 0.000 1.052 369 K CA 1.046 57.336 56.287 0.004 0.000 0.952 369 K CB -0.122 32.376 32.500 -0.004 0.000 0.729 369 K HN 0.215 nan 8.250 nan 0.000 0.446 370 Q N 0.329 120.128 119.800 -0.001 0.000 2.084 370 Q HA -0.135 4.205 4.340 -0.001 0.000 0.202 370 Q C 2.124 178.157 176.000 0.055 0.000 0.978 370 Q CA 1.272 57.083 55.803 0.012 0.000 0.844 370 Q CB -0.075 28.655 28.738 -0.015 0.000 0.898 370 Q HN 0.063 nan 8.270 nan 0.000 0.426 371 V N 1.540 121.464 119.914 0.017 0.000 2.287 371 V HA -0.298 3.821 4.120 -0.001 0.000 0.248 371 V C 2.293 178.384 176.094 -0.005 0.000 1.053 371 V CA 2.214 64.515 62.300 0.002 0.000 1.027 371 V CB -0.656 31.154 31.823 -0.022 0.000 0.646 371 V HN 0.485 nan 8.190 nan 0.000 0.447 372 E N -0.711 119.490 120.200 0.003 0.000 2.209 372 E HA -0.299 4.051 4.350 -0.001 0.000 0.196 372 E C 2.149 178.746 176.600 -0.004 0.000 0.993 372 E CA 1.732 58.124 56.400 -0.014 0.000 0.819 372 E CB -0.304 29.395 29.700 -0.001 0.000 0.745 372 E HN 0.759 nan 8.360 nan 0.000 0.477 373 Y N 1.144 121.398 120.300 -0.076 0.000 2.163 373 Y HA -0.136 4.414 4.550 -0.001 0.000 0.288 373 Y C 2.001 177.841 175.900 -0.099 0.000 1.136 373 Y CA 1.641 59.695 58.100 -0.076 0.000 1.147 373 Y CB -0.246 38.179 38.460 -0.059 0.000 0.987 373 Y HN -0.015 nan 8.280 nan 0.000 0.509 374 L N -0.802 120.422 121.223 0.002 0.000 2.012 374 L HA -0.250 4.090 4.340 -0.001 0.000 0.210 374 L C 2.350 179.074 176.870 -0.244 0.000 1.073 374 L CA 1.408 56.179 54.840 -0.115 0.000 0.748 374 L CB -0.843 41.208 42.059 -0.013 0.000 0.891 374 L HN 0.171 nan 8.230 nan 0.000 0.431 375 V N -0.133 119.629 119.914 -0.254 0.000 2.283 375 V HA -0.215 3.905 4.120 -0.001 0.000 0.243 375 V C 2.131 177.928 176.094 -0.495 0.000 1.039 375 V CA 1.842 63.887 62.300 -0.424 0.000 1.016 375 V CB -0.562 31.054 31.823 -0.346 0.000 0.650 375 V HN 0.465 nan 8.190 nan 0.000 0.449 376 N N -0.408 118.072 118.700 -0.367 0.000 2.290 376 N HA -0.064 4.675 4.740 -0.001 0.000 0.179 376 N C 1.811 177.058 175.510 -0.439 0.000 1.016 376 N CA 0.913 53.743 53.050 -0.366 0.000 0.871 376 N CB -0.062 38.306 38.487 -0.198 0.000 0.987 376 N HN 0.464 nan 8.380 nan 0.000 0.431 377 E N 0.462 120.400 120.200 -0.438 0.000 2.166 377 E HA 0.095 4.445 4.350 -0.001 0.000 0.192 377 E C 0.912 177.349 176.600 -0.272 0.000 0.967 377 E CA 0.663 56.823 56.400 -0.401 0.000 0.840 377 E CB 0.225 29.534 29.700 -0.652 0.000 0.795 377 E HN 0.177 nan 8.360 nan 0.000 0.470 378 K N 0.264 120.467 120.400 -0.328 0.000 2.358 378 K HA 0.116 4.436 4.320 -0.001 0.000 0.200 378 K C -0.232 176.493 176.600 0.209 0.000 1.030 378 K CA -0.234 56.031 56.287 -0.036 0.000 1.097 378 K CB 0.264 32.635 32.500 -0.215 0.000 0.862 378 K HN 0.233 nan 8.250 nan 0.000 0.534 379 H N 0.236 119.273 119.070 -0.055 0.000 2.822 379 H HA -0.177 4.378 4.556 -0.001 0.000 0.295 379 H C -0.225 175.144 175.328 0.067 0.000 1.151 379 H CA 0.654 56.693 56.048 -0.014 0.000 1.151 379 H CB -1.810 28.031 29.762 0.132 0.000 1.343 379 H HN 0.196 nan 8.280 nan 0.000 0.382 380 I N 1.244 121.821 120.570 0.011 0.000 2.304 380 I HA 0.118 4.288 4.170 -0.001 0.000 0.291 380 I C 0.171 176.236 176.117 -0.085 0.000 1.018 380 I CA -0.434 60.925 61.300 0.098 0.000 1.260 380 I CB 0.579 38.625 38.000 0.076 0.000 1.390 380 I HN -0.044 nan 8.210 nan 0.000 0.475 381 Y N 7.617 127.971 120.300 0.090 0.000 2.367 381 Y HA 0.544 5.094 4.550 -0.000 0.000 0.342 381 Y C 0.231 176.142 175.900 0.017 0.000 0.979 381 Y CA -0.506 57.628 58.100 0.056 0.000 1.161 381 Y CB 0.842 39.348 38.460 0.075 0.000 1.155 381 Y HN 0.403 nan 8.280 nan 0.000 0.503 382 L N 0.765 122.042 121.223 0.091 0.000 2.397 382 L HA 0.696 5.036 4.340 -0.001 0.000 0.251 382 L C -1.366 175.531 176.870 0.044 0.000 1.064 382 L CA -1.373 53.507 54.840 0.066 0.000 0.859 382 L CB 1.686 43.768 42.059 0.038 0.000 1.468 382 L HN 0.286 nan 8.230 nan 0.000 0.411 383 L N 1.017 122.256 121.223 0.027 0.000 2.439 383 L HA 0.219 4.558 4.340 -0.001 0.000 0.269 383 L C -1.430 175.431 176.870 -0.015 0.000 1.179 383 L CA -1.370 53.473 54.840 0.005 0.000 0.828 383 L CB 0.674 42.726 42.059 -0.011 0.000 1.106 383 L HN 0.537 nan 8.230 nan 0.000 0.467 384 P HA -0.191 nan 4.420 nan 0.000 0.217 384 P C 1.489 178.761 177.300 -0.046 0.000 1.148 384 P CA 1.286 64.372 63.100 -0.023 0.000 0.828 384 P CB 0.148 31.841 31.700 -0.011 0.000 0.783 385 S N -2.025 113.645 115.700 -0.049 0.000 2.515 385 S HA 0.111 4.581 4.470 -0.001 0.000 0.231 385 S C 1.715 176.147 174.600 -0.280 0.000 0.987 385 S CA 0.838 58.980 58.200 -0.097 0.000 0.936 385 S CB -1.289 61.932 63.200 0.035 0.000 0.766 385 S HN 0.312 nan 8.310 nan 0.000 0.528 386 G N 1.056 109.739 108.800 -0.196 0.000 2.157 386 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.239 386 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.239 386 G C 0.060 174.848 174.900 -0.186 0.000 0.982 386 G CA -0.005 44.960 45.100 -0.224 0.000 0.650 386 G HN 0.709 nan 8.290 nan 0.000 0.527 387 R N 0.863 121.306 120.500 -0.095 0.000 2.389 387 R HA 0.565 4.905 4.340 -0.001 0.000 0.295 387 R C 0.740 177.085 176.300 0.075 0.000 1.075 387 R CA -0.059 56.072 56.100 0.051 0.000 1.005 387 R CB 0.077 30.412 30.300 0.057 0.000 0.987 387 R HN 0.656 nan 8.270 nan 0.000 0.452 388 I N 0.743 121.398 120.570 0.143 0.000 2.740 388 I HA 0.405 4.574 4.170 -0.001 0.000 0.303 388 I C -0.738 175.544 176.117 0.275 0.000 1.044 388 I CA -1.272 60.124 61.300 0.159 0.000 1.064 388 I CB 1.991 40.048 38.000 0.095 0.000 1.249 388 I HN 0.428 nan 8.210 nan 0.000 0.433 389 N N 3.908 122.742 118.700 0.223 0.000 2.402 389 N HA 0.192 4.932 4.740 -0.001 0.000 0.252 389 N C 0.591 176.114 175.510 0.022 0.000 1.118 389 N CA -0.262 52.862 53.050 0.123 0.000 0.945 389 N CB 1.273 39.808 38.487 0.081 0.000 1.147 389 N HN 0.613 nan 8.380 nan 0.000 0.495 390 V N 2.514 122.424 119.914 -0.006 0.000 2.490 390 V HA -0.220 3.900 4.120 -0.001 0.000 0.250 390 V C 1.999 178.075 176.094 -0.031 0.000 1.061 390 V CA 2.121 64.417 62.300 -0.006 0.000 1.064 390 V CB -0.875 30.952 31.823 0.007 0.000 0.670 390 V HN 0.842 nan 8.190 nan 0.000 0.461 391 S N 0.527 116.198 115.700 -0.047 0.000 2.603 391 S HA 0.030 4.500 4.470 -0.001 0.000 0.229 391 S C 1.697 176.193 174.600 -0.173 0.000 0.972 391 S CA 0.775 58.926 58.200 -0.081 0.000 0.935 391 S CB -0.117 63.104 63.200 0.035 0.000 0.769 391 S HN 0.569 nan 8.310 nan 0.000 0.536 392 G N 0.702 109.437 108.800 -0.108 0.000 3.042 392 G HA2 0.378 4.337 3.960 -0.001 0.000 0.212 392 G HA3 0.378 4.337 3.960 -0.001 0.000 0.212 392 G C 0.238 175.086 174.900 -0.086 0.000 1.166 392 G CA -0.401 44.633 45.100 -0.110 0.000 0.767 392 G HN 0.458 nan 8.290 nan 0.000 0.546 393 L N 1.673 122.851 121.223 -0.074 0.000 2.334 393 L HA 0.576 4.915 4.340 -0.001 0.000 0.277 393 L C 0.491 177.314 176.870 -0.078 0.000 1.075 393 L CA -0.507 54.301 54.840 -0.053 0.000 0.804 393 L CB 1.853 43.891 42.059 -0.035 0.000 1.174 393 L HN 0.105 nan 8.230 nan 0.000 0.438 394 T N -3.719 110.797 114.554 -0.063 0.000 2.896 394 T HA 0.209 4.559 4.350 -0.001 0.000 0.297 394 T C 0.888 175.558 174.700 -0.050 0.000 1.108 394 T CA -0.080 61.975 62.100 -0.075 0.000 1.004 394 T CB 1.578 70.389 68.868 -0.095 0.000 1.159 394 T HN 0.697 nan 8.240 nan 0.000 0.499 395 T N -0.526 113.997 114.554 -0.051 0.000 2.869 395 T HA -0.138 4.212 4.350 -0.001 0.000 0.270 395 T C 1.353 176.036 174.700 -0.029 0.000 1.082 395 T CA 1.175 63.253 62.100 -0.037 0.000 1.123 395 T CB -0.593 68.252 68.868 -0.037 0.000 0.856 395 T HN 0.757 nan 8.240 nan 0.000 0.499 396 K N 1.509 121.888 120.400 -0.036 0.000 2.305 396 K HA 0.088 4.408 4.320 -0.001 0.000 0.199 396 K C 1.759 178.353 176.600 -0.009 0.000 1.047 396 K CA 1.017 57.287 56.287 -0.028 0.000 0.976 396 K CB -0.003 32.470 32.500 -0.045 0.000 0.765 396 K HN 0.586 nan 8.250 nan 0.000 0.474 397 N N -0.317 118.385 118.700 0.003 0.000 2.181 397 N HA -0.022 4.718 4.740 -0.001 0.000 0.207 397 N C 1.278 176.832 175.510 0.074 0.000 1.182 397 N CA -0.055 53.026 53.050 0.051 0.000 0.893 397 N CB -0.036 38.484 38.487 0.055 0.000 1.032 397 N HN -0.099 nan 8.380 nan 0.000 0.513 398 L N 1.444 122.683 121.223 0.027 0.000 2.079 398 L HA -0.062 4.277 4.340 -0.001 0.000 0.210 398 L C 1.092 177.969 176.870 0.011 0.000 1.081 398 L CA 1.730 56.574 54.840 0.007 0.000 0.752 398 L CB -0.971 41.078 42.059 -0.017 0.000 0.896 398 L HN 0.104 nan 8.230 nan 0.000 0.433 399 D N -2.200 118.218 120.400 0.029 0.000 2.117 399 D HA -0.234 4.405 4.640 -0.001 0.000 0.198 399 D C 2.057 178.391 176.300 0.056 0.000 0.982 399 D CA 1.060 55.074 54.000 0.023 0.000 0.828 399 D CB -0.193 40.624 40.800 0.029 0.000 0.967 399 D HN 0.371 nan 8.370 nan 0.000 0.464 400 Y N 1.122 121.412 120.300 -0.015 0.000 2.224 400 Y HA -0.186 4.363 4.550 -0.001 0.000 0.289 400 Y C 2.060 177.964 175.900 0.006 0.000 1.146 400 Y CA 1.046 59.147 58.100 0.000 0.000 1.182 400 Y CB -0.192 38.274 38.460 0.010 0.000 0.983 400 Y HN -0.192 nan 8.280 nan 0.000 0.524 401 V N 0.031 119.947 119.914 0.003 0.000 2.323 401 V HA -0.241 3.879 4.120 -0.001 0.000 0.244 401 V C 2.659 178.681 176.094 -0.119 0.000 1.041 401 V CA 1.613 63.867 62.300 -0.075 0.000 1.025 401 V CB -1.468 30.360 31.823 0.007 0.000 0.656 401 V HN 0.513 nan 8.190 nan 0.000 0.451 402 A N 0.905 123.663 122.820 -0.103 0.000 1.908 402 A HA -0.257 4.063 4.320 -0.001 0.000 0.218 402 A C 2.479 179.993 177.584 -0.115 0.000 1.181 402 A CA 2.752 54.707 52.037 -0.136 0.000 0.627 402 A CB -1.010 17.910 19.000 -0.133 0.000 0.818 402 A HN 0.640 nan 8.150 nan 0.000 0.445 403 T N -3.744 110.744 114.554 -0.109 0.000 2.985 403 T HA -0.012 4.338 4.350 -0.001 0.000 0.266 403 T C 1.950 176.615 174.700 -0.059 0.000 1.076 403 T CA 1.513 63.566 62.100 -0.079 0.000 1.135 403 T CB -0.328 68.494 68.868 -0.078 0.000 0.890 403 T HN 0.242 nan 8.240 nan 0.000 0.480 404 S N 1.428 117.022 115.700 -0.176 0.000 2.368 404 S HA 0.109 4.579 4.470 -0.001 0.000 0.224 404 S C 1.912 176.519 174.600 0.010 0.000 1.029 404 S CA 1.149 59.270 58.200 -0.131 0.000 0.988 404 S CB -0.427 62.571 63.200 -0.337 0.000 0.838 404 S HN 0.510 nan 8.310 nan 0.000 0.462 405 I N 0.937 121.479 120.570 -0.048 0.000 2.202 405 I HA -0.200 3.970 4.170 -0.001 0.000 0.242 405 I C 2.551 178.641 176.117 -0.044 0.000 1.091 405 I CA 1.355 62.627 61.300 -0.047 0.000 1.368 405 I CB -0.561 37.363 38.000 -0.126 0.000 1.058 405 I HN 0.424 nan 8.210 nan 0.000 0.410 406 H N 1.765 120.756 119.070 -0.131 0.000 2.353 406 H HA -0.220 4.336 4.556 -0.001 0.000 0.298 406 H C 1.963 177.242 175.328 -0.081 0.000 1.103 406 H CA 2.214 58.202 56.048 -0.100 0.000 1.293 406 H CB 0.105 29.806 29.762 -0.101 0.000 1.372 406 H HN 0.433 nan 8.280 nan 0.000 0.501 407 E N 0.303 120.497 120.200 -0.010 0.000 2.031 407 E HA -0.133 4.216 4.350 -0.001 0.000 0.193 407 E C 2.569 178.953 176.600 -0.360 0.000 0.994 407 E CA 0.995 57.321 56.400 -0.123 0.000 0.800 407 E CB -0.191 29.532 29.700 0.039 0.000 0.752 407 E HN 0.540 nan 8.360 nan 0.000 0.447 408 A N 0.913 123.539 122.820 -0.323 0.000 1.884 408 A HA -0.248 4.072 4.320 -0.001 0.000 0.219 408 A C 2.538 179.961 177.584 -0.268 0.000 1.197 408 A CA 1.986 53.793 52.037 -0.384 0.000 0.637 408 A CB -1.043 17.918 19.000 -0.066 0.000 0.827 408 A HN 0.158 nan 8.150 nan 0.000 0.450 409 V N 0.290 120.105 119.914 -0.165 0.000 2.358 409 V HA -0.219 3.901 4.120 -0.001 0.000 0.246 409 V C 2.919 178.911 176.094 -0.169 0.000 1.047 409 V CA 2.455 64.693 62.300 -0.102 0.000 1.035 409 V CB -1.332 30.502 31.823 0.018 0.000 0.658 409 V HN 0.875 nan 8.190 nan 0.000 0.452 410 T N -2.318 112.073 114.554 -0.272 0.000 3.014 410 T HA -0.047 4.302 4.350 -0.001 0.000 0.263 410 T C 1.702 176.282 174.700 -0.199 0.000 1.078 410 T CA 0.733 62.683 62.100 -0.249 0.000 1.135 410 T CB -0.139 68.517 68.868 -0.354 0.000 0.895 410 T HN 0.437 nan 8.240 nan 0.000 0.480 411 K N 0.377 120.626 120.400 -0.251 0.000 2.314 411 K HA 0.299 4.618 4.320 -0.001 0.000 0.198 411 K C 0.010 176.489 176.600 -0.202 0.000 1.045 411 K CA 0.412 56.561 56.287 -0.230 0.000 0.988 411 K CB 0.213 32.520 32.500 -0.322 0.000 0.783 411 K HN 0.343 nan 8.250 nan 0.000 0.484 412 I N 0.764 121.206 120.570 -0.215 0.000 2.778 412 I HA 0.140 4.310 4.170 -0.001 0.000 0.285 412 I C 0.428 176.474 176.117 -0.119 0.000 1.236 412 I CA -0.122 61.090 61.300 -0.146 0.000 1.089 412 I CB 1.496 39.414 38.000 -0.137 0.000 1.601 412 I HN -0.039 nan 8.210 nan 0.000 0.573 413 A N 2.333 125.090 122.820 -0.105 0.000 2.208 413 A HA 0.271 4.591 4.320 -0.001 0.000 0.209 413 A C 1.300 178.832 177.584 -0.087 0.000 1.161 413 A CA 0.707 52.689 52.037 -0.091 0.000 0.782 413 A CB -0.551 18.400 19.000 -0.082 0.000 0.816 413 A HN 0.552 nan 8.150 nan 0.000 0.477 414 E N -0.717 119.431 120.200 -0.088 0.000 2.366 414 E HA 0.460 4.810 4.350 -0.001 0.000 0.266 414 E C -0.272 176.259 176.600 -0.115 0.000 1.051 414 E CA 0.046 56.387 56.400 -0.098 0.000 0.884 414 E CB -0.266 29.383 29.700 -0.085 0.000 1.006 414 E HN 0.935 nan 8.360 nan 0.000 0.417 415 N N 1.327 119.935 118.700 -0.153 0.000 2.400 415 N HA 0.626 5.366 4.740 -0.001 0.000 0.288 415 N C -0.303 175.048 175.510 -0.265 0.000 1.024 415 N CA -0.552 52.387 53.050 -0.185 0.000 0.894 415 N CB 0.803 39.171 38.487 -0.198 0.000 1.173 415 N HN 0.560 nan 8.380 nan 0.000 0.487 416 L N 0.239 121.328 121.223 -0.224 0.000 2.387 416 L HA 0.515 4.854 4.340 -0.001 0.000 0.266 416 L C 0.440 177.118 176.870 -0.320 0.000 1.059 416 L CA -0.631 54.069 54.840 -0.234 0.000 0.801 416 L CB 1.167 43.179 42.059 -0.079 0.000 1.223 416 L HN 0.749 nan 8.230 nan 0.000 0.456 417 Y N -0.552 119.621 120.300 -0.211 0.000 2.396 417 Y HA 0.197 4.747 4.550 -0.001 0.000 0.292 417 Y C 0.319 176.054 175.900 -0.275 0.000 1.128 417 Y CA 0.049 57.953 58.100 -0.328 0.000 1.194 417 Y CB 0.173 38.280 38.460 -0.587 0.000 1.124 417 Y HN 0.174 nan 8.280 nan 0.000 0.543 418 F N 1.327 121.366 119.950 0.148 0.000 2.410 418 F HA 0.554 5.081 4.527 -0.001 0.000 0.349 418 F C 0.080 175.907 175.800 0.044 0.000 1.117 418 F CA -1.288 56.760 58.000 0.081 0.000 1.104 418 F CB 0.883 39.922 39.000 0.065 0.000 1.122 418 F HN -0.067 nan 8.300 nan 0.000 0.483 419 Q N 0.000 119.934 119.800 0.224 0.000 2.315 419 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 419 Q CA 0.000 55.874 55.803 0.119 0.000 1.022 419 Q CB 0.000 28.782 28.738 0.073 0.000 1.108 419 Q HN 0.000 nan 8.270 nan 0.000 0.481