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 3nb3_1_D DATA FIRST_RESID 1 DATA SEQUENCE AEVYNKDGNK LDLYGKVDGL HYFSDNKDVD GDQTYMRLGF KGETQVTDQL DATA SEQUENCE TGYGQWEYQI QGNSAENENN SWTRVAFAGL KFQDVGSFDY GRNYGVVYDV DATA SEQUENCE TSWTDVLPEF GGDTYGSDNF MQQRGNGFAT YRNTDFFGLV DGLNFAVQYQ DATA SEQUENCE GKNGNPSGEG FTSGVTNNGR DALRQNGDGV GGSITYDYEG FGIGGAISSS DATA SEQUENCE KRTDAQNTAA YIGNGDRAET YTGGLKYDAN NIYLAAQYTQ TYNATRVGSL DATA SEQUENCE GWANKAQNFE AVAQYQFDFG LRPSLAYLQS KGKNLGRGYD DEDILKYVDV DATA SEQUENCE GATYYFNKNM STYVDYKINL LDDNQFTRDA GINTDNIVAL GLVYQF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.711 177.584 0.212 0.000 1.274 1 A CA 0.000 52.190 52.037 0.255 0.000 0.836 1 A CB 0.000 19.188 19.000 0.313 0.000 0.831 2 E N 1.698 121.985 120.200 0.145 0.000 2.129 2 E HA 0.355 4.706 4.350 0.000 0.000 0.283 2 E C 0.812 177.487 176.600 0.126 0.000 1.080 2 E CA 0.149 56.627 56.400 0.131 0.000 0.867 2 E CB 0.711 30.462 29.700 0.086 0.000 1.056 2 E HN 1.068 nan 8.360 nan 0.000 0.404 3 V N 2.866 122.874 119.914 0.156 0.000 3.621 3 V HA 0.301 4.421 4.120 0.000 0.000 0.285 3 V C -0.324 175.891 176.094 0.202 0.000 1.346 3 V CA -0.169 62.219 62.300 0.147 0.000 1.104 3 V CB -0.523 31.383 31.823 0.139 0.000 0.913 3 V HN 0.590 nan 8.190 nan 0.000 0.432 4 Y N 1.111 121.435 120.300 0.039 0.000 2.436 4 Y HA 0.682 5.232 4.550 0.000 0.000 0.327 4 Y C -1.314 174.603 175.900 0.028 0.000 1.138 4 Y CA -0.973 57.141 58.100 0.024 0.000 1.042 4 Y CB 1.762 40.229 38.460 0.012 0.000 1.302 4 Y HN 0.151 nan 8.280 nan 0.000 0.439 5 N N 5.592 124.005 118.700 -0.479 0.000 2.875 5 N HA 0.256 4.996 4.740 0.000 0.000 0.253 5 N C -2.203 173.064 175.510 -0.406 0.000 1.296 5 N CA -0.350 52.525 53.050 -0.292 0.000 0.816 5 N CB 1.161 39.578 38.487 -0.116 0.000 1.504 5 N HN 0.800 nan 8.380 nan 0.000 0.582 6 K N 1.920 122.069 120.400 -0.418 0.000 2.557 6 K HA 0.221 4.542 4.320 0.000 0.000 0.257 6 K C -1.100 175.439 176.600 -0.102 0.000 0.933 6 K CA -0.369 55.734 56.287 -0.307 0.000 0.820 6 K CB 0.909 33.103 32.500 -0.510 0.000 1.330 6 K HN 0.373 nan 8.250 nan 0.000 0.432 7 D N 2.759 123.131 120.400 -0.048 0.000 2.701 7 D HA -0.226 4.414 4.640 0.000 0.000 0.235 7 D C 0.654 176.968 176.300 0.024 0.000 1.155 7 D CA 1.694 55.695 54.000 0.002 0.000 0.649 7 D CB -1.294 39.523 40.800 0.029 0.000 1.050 7 D HN 1.094 nan 8.370 nan 0.000 0.425 8 G N 0.128 108.935 108.800 0.012 0.000 2.184 8 G HA2 -0.373 3.587 3.960 0.000 0.000 0.264 8 G HA3 -0.373 3.587 3.960 0.000 0.000 0.264 8 G C 0.109 175.046 174.900 0.061 0.000 0.975 8 G CA 0.490 45.609 45.100 0.031 0.000 0.642 8 G HN 0.666 nan 8.290 nan 0.000 0.536 9 N N 0.184 118.940 118.700 0.093 0.000 2.430 9 N HA 0.538 5.278 4.740 0.000 0.000 0.292 9 N C -0.595 175.017 175.510 0.171 0.000 1.051 9 N CA -0.410 52.735 53.050 0.158 0.000 0.917 9 N CB 0.630 39.259 38.487 0.237 0.000 1.164 9 N HN 0.254 nan 8.380 nan 0.000 0.484 10 K N 2.256 122.759 120.400 0.172 0.000 2.371 10 K HA 0.478 4.798 4.320 0.000 0.000 0.251 10 K C -1.346 175.379 176.600 0.210 0.000 0.934 10 K CA -0.737 55.652 56.287 0.170 0.000 0.798 10 K CB 2.375 34.937 32.500 0.104 0.000 1.204 10 K HN 0.287 nan 8.250 nan 0.000 0.427 11 L N 2.028 123.395 121.223 0.240 0.000 2.376 11 L HA 0.366 4.706 4.340 0.000 0.000 0.275 11 L C -1.619 175.379 176.870 0.213 0.000 0.987 11 L CA -0.250 54.712 54.840 0.204 0.000 0.828 11 L CB 1.739 43.882 42.059 0.139 0.000 1.249 11 L HN 0.685 nan 8.230 nan 0.000 0.409 12 D N 3.956 124.502 120.400 0.243 0.000 2.349 12 D HA 0.428 5.068 4.640 0.000 0.000 0.232 12 D C -1.343 175.182 176.300 0.376 0.000 1.071 12 D CA -0.365 53.796 54.000 0.268 0.000 0.832 12 D CB 1.248 42.179 40.800 0.220 0.000 1.086 12 D HN 0.469 nan 8.370 nan 0.000 0.504 13 L N 6.175 127.612 121.223 0.357 0.000 2.280 13 L HA 0.489 4.829 4.340 0.000 0.000 0.287 13 L C -1.542 175.606 176.870 0.464 0.000 1.023 13 L CA -0.509 54.562 54.840 0.385 0.000 0.819 13 L CB 0.318 42.573 42.059 0.326 0.000 1.212 13 L HN 0.476 nan 8.230 nan 0.000 0.420 14 Y N 3.066 123.445 120.300 0.131 0.000 2.634 14 Y HA 1.030 5.580 4.550 0.000 0.000 0.340 14 Y C -0.077 175.438 175.900 -0.642 0.000 1.058 14 Y CA -0.729 57.184 58.100 -0.311 0.000 1.081 14 Y CB 1.514 39.858 38.460 -0.192 0.000 1.295 14 Y HN 0.795 nan 8.280 nan 0.000 0.487 15 G N 0.800 108.997 108.800 -1.004 0.000 2.313 15 G HA2 0.505 4.465 3.960 0.000 0.000 0.296 15 G HA3 0.505 4.465 3.960 0.000 0.000 0.296 15 G C -2.292 172.263 174.900 -0.576 0.000 1.356 15 G CA -0.893 43.767 45.100 -0.734 0.000 0.833 15 G HN 1.096 nan 8.290 nan 0.000 0.552 16 K N -1.774 118.490 120.400 -0.227 0.000 2.568 16 K HA 0.744 5.064 4.320 0.000 0.000 0.273 16 K C -1.676 174.903 176.600 -0.036 0.000 0.951 16 K CA -1.036 55.194 56.287 -0.095 0.000 0.854 16 K CB 2.220 34.662 32.500 -0.098 0.000 1.424 16 K HN 0.625 nan 8.250 nan 0.000 0.427 17 V N 1.476 121.404 119.914 0.023 0.000 2.409 17 V HA 0.296 4.416 4.120 0.000 0.000 0.291 17 V C -1.171 174.845 176.094 -0.129 0.000 1.020 17 V CA -0.494 61.776 62.300 -0.050 0.000 0.848 17 V CB 1.416 33.272 31.823 0.054 0.000 0.990 17 V HN 0.857 nan 8.190 nan 0.000 0.430 18 D N 4.174 124.361 120.400 -0.355 0.000 2.460 18 D HA 0.363 5.003 4.640 0.000 0.000 0.232 18 D C 0.491 176.653 176.300 -0.229 0.000 1.079 18 D CA -0.172 53.626 54.000 -0.337 0.000 0.864 18 D CB 1.588 42.002 40.800 -0.643 0.000 1.048 18 D HN 0.673 nan 8.370 nan 0.000 0.523 19 G N 3.217 111.951 108.800 -0.110 0.000 2.396 19 G HA2 0.416 4.376 3.960 0.000 0.000 0.292 19 G HA3 0.416 4.376 3.960 0.000 0.000 0.292 19 G C -0.590 174.283 174.900 -0.045 0.000 1.106 19 G CA -0.130 44.934 45.100 -0.060 0.000 1.055 19 G HN 0.428 nan 8.290 nan 0.000 0.424 20 L N 2.350 123.572 121.223 -0.000 0.000 2.431 20 L HA 0.715 5.055 4.340 0.000 0.000 0.266 20 L C -1.107 175.819 176.870 0.093 0.000 0.978 20 L CA -1.114 53.758 54.840 0.053 0.000 0.822 20 L CB 2.408 44.538 42.059 0.118 0.000 1.310 20 L HN 0.622 nan 8.230 nan 0.000 0.409 21 H N 2.801 121.896 119.070 0.041 0.000 2.771 21 H HA 0.612 5.168 4.556 0.000 0.000 0.361 21 H C -1.667 173.721 175.328 0.100 0.000 1.108 21 H CA -0.348 55.672 56.048 -0.047 0.000 1.201 21 H CB 1.237 30.893 29.762 -0.176 0.000 1.681 21 H HN 0.482 nan 8.280 nan 0.000 0.534 22 Y N 3.949 123.946 120.300 -0.506 0.000 2.342 22 Y HA 0.324 4.874 4.550 0.000 0.000 0.334 22 Y C -0.783 174.869 175.900 -0.415 0.000 1.067 22 Y CA -1.103 56.860 58.100 -0.229 0.000 1.128 22 Y CB 0.668 39.066 38.460 -0.105 0.000 1.200 22 Y HN 0.502 nan 8.280 nan 0.000 0.464 23 F N 1.479 121.588 119.950 0.265 0.000 2.449 23 F HA 0.563 5.090 4.527 0.000 0.000 0.342 23 F C 0.193 176.077 175.800 0.140 0.000 1.127 23 F CA -0.478 57.644 58.000 0.203 0.000 0.975 23 F CB 1.943 41.051 39.000 0.179 0.000 1.146 23 F HN 0.300 nan 8.300 nan 0.000 0.444 24 S N 1.609 117.460 115.700 0.252 0.000 2.542 24 S HA 0.238 4.708 4.470 0.000 0.000 0.276 24 S C -0.024 174.649 174.600 0.121 0.000 1.148 24 S CA -0.745 57.552 58.200 0.161 0.000 0.886 24 S CB 1.171 64.441 63.200 0.116 0.000 1.109 24 S HN 0.582 nan 8.310 nan 0.000 0.458 25 D N 1.796 122.252 120.400 0.093 0.000 2.263 25 D HA -0.043 4.597 4.640 0.000 0.000 0.208 25 D C 0.535 176.864 176.300 0.047 0.000 0.971 25 D CA 1.011 55.051 54.000 0.067 0.000 0.867 25 D CB -0.174 40.658 40.800 0.053 0.000 0.929 25 D HN 0.477 nan 8.370 nan 0.000 0.492 26 N N 1.433 120.158 118.700 0.041 0.000 2.402 26 N HA -0.035 4.705 4.740 0.000 0.000 0.252 26 N C 0.711 176.240 175.510 0.031 0.000 1.118 26 N CA -0.080 52.984 53.050 0.025 0.000 0.945 26 N CB 0.571 39.063 38.487 0.009 0.000 1.147 26 N HN -0.239 nan 8.380 nan 0.000 0.495 27 K N 1.927 122.340 120.400 0.022 0.000 2.439 27 K HA -0.022 4.298 4.320 0.000 0.000 0.197 27 K C 0.247 176.848 176.600 0.002 0.000 1.041 27 K CA 0.538 56.835 56.287 0.016 0.000 0.970 27 K CB 0.308 32.817 32.500 0.014 0.000 0.773 27 K HN 0.559 nan 8.250 nan 0.000 0.479 28 D N 0.374 120.774 120.400 -0.000 0.000 2.269 28 D HA -0.094 4.546 4.640 0.000 0.000 0.208 28 D C 1.726 178.022 176.300 -0.007 0.000 0.963 28 D CA 0.857 54.850 54.000 -0.012 0.000 0.864 28 D CB 0.280 41.069 40.800 -0.018 0.000 0.936 28 D HN 0.165 nan 8.370 nan 0.000 0.505 29 V N -1.831 118.100 119.914 0.028 0.000 3.621 29 V HA 0.136 4.256 4.120 0.000 0.000 0.263 29 V C 0.487 176.634 176.094 0.088 0.000 1.272 29 V CA -0.337 62.014 62.300 0.086 0.000 1.080 29 V CB 0.031 31.979 31.823 0.209 0.000 0.816 29 V HN -0.238 nan 8.190 nan 0.000 0.451 30 D N 0.974 121.398 120.400 0.040 0.000 2.399 30 D HA 0.482 5.122 4.640 0.000 0.000 0.241 30 D C 0.624 176.830 176.300 -0.156 0.000 1.133 30 D CA 2.246 56.240 54.000 -0.010 0.000 0.890 30 D CB 0.916 41.727 40.800 0.019 0.000 1.201 30 D HN 0.821 nan 8.370 nan 0.000 0.432 31 G N 2.737 111.307 108.800 -0.384 0.000 2.396 31 G HA2 -0.098 3.862 3.960 0.000 0.000 0.254 31 G HA3 -0.098 3.862 3.960 0.000 0.000 0.254 31 G C -0.833 173.568 174.900 -0.833 0.000 1.248 31 G CA -0.347 44.417 45.100 -0.561 0.000 1.033 31 G HN 0.733 nan 8.290 nan 0.000 0.502 32 D N 0.462 120.610 120.400 -0.420 0.000 2.450 32 D HA 0.418 5.058 4.640 0.000 0.000 0.247 32 D C 1.070 177.219 176.300 -0.251 0.000 1.162 32 D CA 0.474 54.339 54.000 -0.225 0.000 0.879 32 D CB 0.663 41.434 40.800 -0.048 0.000 1.163 32 D HN 0.357 nan 8.370 nan 0.000 0.472 33 Q N 2.290 121.948 119.800 -0.236 0.000 2.135 33 Q HA 0.099 4.439 4.340 0.000 0.000 0.222 33 Q C -0.198 175.799 176.000 -0.005 0.000 0.808 33 Q CA -0.171 55.490 55.803 -0.236 0.000 1.049 33 Q CB 0.561 28.960 28.738 -0.565 0.000 1.168 33 Q HN 0.465 nan 8.270 nan 0.000 0.483 34 T N 2.622 117.180 114.554 0.006 0.000 2.933 34 T HA 0.096 4.446 4.350 0.000 0.000 0.306 34 T C -0.188 174.579 174.700 0.111 0.000 1.045 34 T CA 0.774 62.892 62.100 0.030 0.000 1.143 34 T CB -0.148 68.716 68.868 -0.006 0.000 1.003 34 T HN 0.246 nan 8.240 nan 0.000 0.540 35 Y N 0.648 120.920 120.300 -0.046 0.000 2.638 35 Y HA 0.691 5.241 4.550 0.000 0.000 0.335 35 Y C -1.102 174.762 175.900 -0.060 0.000 1.155 35 Y CA -1.986 56.069 58.100 -0.076 0.000 1.046 35 Y CB 1.201 39.600 38.460 -0.101 0.000 1.303 35 Y HN 0.616 nan 8.280 nan 0.000 0.460 36 M N 1.061 120.675 119.600 0.023 0.000 2.591 36 M HA 0.760 5.240 4.480 0.000 0.000 0.306 36 M C -1.732 174.582 176.300 0.023 0.000 1.190 36 M CA -0.836 54.436 55.300 -0.046 0.000 0.889 36 M CB 2.802 35.389 32.600 -0.022 0.000 1.728 36 M HN 0.675 nan 8.290 nan 0.000 0.458 37 R N 1.225 121.712 120.500 -0.021 0.000 2.686 37 R HA 0.879 5.219 4.340 0.000 0.000 0.286 37 R C -1.862 174.342 176.300 -0.159 0.000 0.969 37 R CA -0.991 55.054 56.100 -0.092 0.000 0.898 37 R CB 2.393 32.673 30.300 -0.033 0.000 1.183 37 R HN 0.818 nan 8.270 nan 0.000 0.456 38 L N 0.282 121.362 121.223 -0.239 0.000 2.371 38 L HA 0.852 5.192 4.340 0.000 0.000 0.262 38 L C -0.805 175.723 176.870 -0.569 0.000 1.006 38 L CA -0.119 54.547 54.840 -0.290 0.000 0.818 38 L CB 2.499 44.536 42.059 -0.037 0.000 1.354 38 L HN 0.768 nan 8.230 nan 0.000 0.415 39 G N 1.837 110.170 108.800 -0.779 0.000 2.623 39 G HA2 0.596 4.556 3.960 0.000 0.000 0.290 39 G HA3 0.596 4.556 3.960 0.000 0.000 0.290 39 G C -2.008 172.631 174.900 -0.435 0.000 1.437 39 G CA -0.404 44.172 45.100 -0.872 0.000 0.798 39 G HN 0.796 nan 8.290 nan 0.000 0.488 40 F N -0.943 119.019 119.950 0.021 0.000 2.588 40 F HA 0.864 5.391 4.527 0.000 0.000 0.310 40 F C -0.779 175.208 175.800 0.312 0.000 1.082 40 F CA -1.328 56.804 58.000 0.219 0.000 0.929 40 F CB 2.194 41.307 39.000 0.187 0.000 1.254 40 F HN 0.321 nan 8.300 nan 0.000 0.455 41 K N 2.410 123.134 120.400 0.539 0.000 2.413 41 K HA 0.666 4.986 4.320 0.000 0.000 0.257 41 K C -0.524 176.298 176.600 0.370 0.000 0.946 41 K CA -0.966 55.534 56.287 0.354 0.000 0.823 41 K CB 2.242 34.859 32.500 0.194 0.000 1.109 41 K HN 1.005 nan 8.250 nan 0.000 0.427 42 G N 2.224 111.249 108.800 0.374 0.000 2.448 42 G HA2 0.522 4.482 3.960 0.000 0.000 0.324 42 G HA3 0.522 4.482 3.960 0.000 0.000 0.324 42 G C -1.066 173.978 174.900 0.239 0.000 1.203 42 G CA -0.403 44.857 45.100 0.268 0.000 0.954 42 G HN 0.535 nan 8.290 nan 0.000 0.480 43 E N -0.274 120.042 120.200 0.193 0.000 2.331 43 E HA 0.519 4.869 4.350 0.000 0.000 0.275 43 E C -1.342 175.347 176.600 0.148 0.000 0.895 43 E CA -0.743 55.771 56.400 0.190 0.000 0.753 43 E CB 2.733 32.524 29.700 0.153 0.000 1.216 43 E HN 0.400 nan 8.360 nan 0.000 0.434 44 T N 1.290 115.929 114.554 0.141 0.000 2.881 44 T HA 0.147 4.497 4.350 0.000 0.000 0.290 44 T C -1.176 173.580 174.700 0.095 0.000 1.000 44 T CA -0.601 61.563 62.100 0.108 0.000 0.978 44 T CB 1.374 70.298 68.868 0.093 0.000 0.997 44 T HN 0.431 nan 8.240 nan 0.000 0.443 45 Q N 4.503 124.347 119.800 0.072 0.000 2.307 45 Q HA 0.316 4.656 4.340 0.000 0.000 0.261 45 Q C 0.340 176.371 176.000 0.052 0.000 1.051 45 Q CA -0.376 55.460 55.803 0.054 0.000 0.911 45 Q CB 0.844 29.603 28.738 0.035 0.000 1.227 45 Q HN 0.667 nan 8.270 nan 0.000 0.418 46 V N 3.070 123.018 119.914 0.057 0.000 2.374 46 V HA -0.002 4.118 4.120 0.000 0.000 0.241 46 V C 1.026 177.150 176.094 0.049 0.000 1.034 46 V CA 1.783 64.119 62.300 0.060 0.000 1.037 46 V CB 0.340 32.210 31.823 0.079 0.000 0.682 46 V HN 0.970 nan 8.190 nan 0.000 0.463 47 T N -2.654 111.923 114.554 0.038 0.000 2.716 47 T HA 0.259 4.609 4.350 0.000 0.000 0.286 47 T C 0.556 175.246 174.700 -0.018 0.000 1.052 47 T CA 0.135 62.248 62.100 0.022 0.000 1.024 47 T CB 1.433 70.328 68.868 0.044 0.000 1.349 47 T HN 0.268 nan 8.240 nan 0.000 0.525 48 D N 0.112 120.495 120.400 -0.028 0.000 2.221 48 D HA -0.166 4.474 4.640 0.000 0.000 0.204 48 D C 1.512 177.730 176.300 -0.136 0.000 0.982 48 D CA 1.392 55.358 54.000 -0.056 0.000 0.857 48 D CB -0.303 40.475 40.800 -0.036 0.000 0.934 48 D HN 0.674 nan 8.370 nan 0.000 0.475 49 Q N -0.858 118.803 119.800 -0.232 0.000 2.349 49 Q HA 0.263 4.603 4.340 0.000 0.000 0.209 49 Q C 0.171 175.794 176.000 -0.628 0.000 0.920 49 Q CA -0.109 55.343 55.803 -0.585 0.000 0.901 49 Q CB 0.585 28.706 28.738 -1.028 0.000 1.021 49 Q HN 0.189 nan 8.270 nan 0.000 0.519 50 L N 0.892 121.961 121.223 -0.257 0.000 2.296 50 L HA 0.467 4.807 4.340 0.000 0.000 0.286 50 L C -1.067 175.828 176.870 0.042 0.000 1.023 50 L CA 0.145 54.975 54.840 -0.017 0.000 0.812 50 L CB 1.820 43.989 42.059 0.184 0.000 1.223 50 L HN -0.134 nan 8.230 nan 0.000 0.421 51 T N 3.746 118.357 114.554 0.095 0.000 2.841 51 T HA 0.746 5.096 4.350 0.000 0.000 0.283 51 T C -0.087 174.739 174.700 0.210 0.000 1.000 51 T CA -0.455 61.727 62.100 0.137 0.000 0.977 51 T CB 1.596 70.544 68.868 0.132 0.000 0.979 51 T HN 0.809 nan 8.240 nan 0.000 0.446 52 G N 1.587 110.493 108.800 0.177 0.000 2.389 52 G HA2 0.709 4.669 3.960 0.000 0.000 0.328 52 G HA3 0.709 4.669 3.960 0.000 0.000 0.328 52 G C -1.453 173.583 174.900 0.226 0.000 1.133 52 G CA -0.711 44.469 45.100 0.133 0.000 0.891 52 G HN 0.728 nan 8.290 nan 0.000 0.485 53 Y N -1.250 119.122 120.300 0.120 0.000 2.625 53 Y HA 0.831 5.381 4.550 0.000 0.000 0.338 53 Y C -0.060 175.913 175.900 0.121 0.000 1.123 53 Y CA -1.434 56.740 58.100 0.122 0.000 1.046 53 Y CB 1.391 39.929 38.460 0.130 0.000 1.299 53 Y HN 0.919 nan 8.280 nan 0.000 0.464 54 G N 0.660 109.634 108.800 0.290 0.000 2.733 54 G HA2 0.530 4.490 3.960 0.000 0.000 0.297 54 G HA3 0.530 4.490 3.960 0.000 0.000 0.297 54 G C -2.499 172.429 174.900 0.046 0.000 1.422 54 G CA -0.959 44.221 45.100 0.133 0.000 0.942 54 G HN 0.842 nan 8.290 nan 0.000 0.510 55 Q N -0.191 119.368 119.800 -0.401 0.000 2.345 55 Q HA 0.602 4.942 4.340 0.000 0.000 0.275 55 Q C -2.216 173.408 176.000 -0.626 0.000 1.063 55 Q CA -0.988 54.487 55.803 -0.547 0.000 0.819 55 Q CB 2.945 31.297 28.738 -0.643 0.000 1.356 55 Q HN 0.642 nan 8.270 nan 0.000 0.418 56 W N 2.966 123.706 121.300 -0.934 0.000 3.129 56 W HA 0.534 5.194 4.660 0.000 0.000 0.333 56 W C -1.843 174.397 176.519 -0.465 0.000 1.141 56 W CA -0.250 56.652 57.345 -0.739 0.000 1.224 56 W CB 1.625 30.459 29.460 -1.044 0.000 1.393 56 W HN 0.693 nan 8.180 nan 0.000 0.499 57 E N 4.325 123.985 120.200 -0.900 0.000 2.331 57 E HA 0.402 4.752 4.350 0.000 0.000 0.275 57 E C -2.305 173.754 176.600 -0.902 0.000 0.895 57 E CA -0.860 55.043 56.400 -0.828 0.000 0.753 57 E CB 2.260 31.789 29.700 -0.285 0.000 1.216 57 E HN 0.429 nan 8.360 nan 0.000 0.434 58 Y N 1.989 121.674 120.300 -1.025 0.000 2.492 58 Y HA 0.307 4.857 4.550 0.000 0.000 0.346 58 Y C -1.352 174.205 175.900 -0.573 0.000 0.997 58 Y CA -0.582 57.036 58.100 -0.804 0.000 1.025 58 Y CB 2.096 40.003 38.460 -0.921 0.000 1.263 58 Y HN 0.544 nan 8.280 nan 0.000 0.454 59 Q N 5.477 124.665 119.800 -1.021 0.000 2.333 59 Q HA 0.706 5.046 4.340 0.000 0.000 0.267 59 Q C -1.829 173.512 176.000 -1.099 0.000 1.012 59 Q CA -0.642 54.583 55.803 -0.963 0.000 0.824 59 Q CB 1.314 29.358 28.738 -1.158 0.000 1.290 59 Q HN 0.753 nan 8.270 nan 0.000 0.449 60 I N 3.746 123.969 120.570 -0.579 0.000 2.410 60 I HA 0.231 4.401 4.170 0.000 0.000 0.286 60 I C -0.358 175.617 176.117 -0.237 0.000 1.009 60 I CA -1.027 60.039 61.300 -0.389 0.000 1.111 60 I CB 1.799 39.720 38.000 -0.130 0.000 1.262 60 I HN 0.506 nan 8.210 nan 0.000 0.443 61 Q N 3.884 123.549 119.800 -0.226 0.000 2.364 61 Q HA 0.173 4.513 4.340 0.000 0.000 0.267 61 Q C 0.906 176.893 176.000 -0.022 0.000 0.999 61 Q CA 0.130 55.888 55.803 -0.074 0.000 0.886 61 Q CB 1.363 30.083 28.738 -0.029 0.000 1.243 61 Q HN 0.925 nan 8.270 nan 0.000 0.415 62 G N 1.680 110.489 108.800 0.014 0.000 3.453 62 G HA2 -0.060 3.900 3.960 0.000 0.000 0.263 62 G HA3 -0.060 3.900 3.960 0.000 0.000 0.263 62 G C 0.480 175.381 174.900 0.001 0.000 1.060 62 G CA -0.218 44.885 45.100 0.005 0.000 0.793 62 G HN 0.601 nan 8.290 nan 0.000 0.532 63 N N 0.377 119.076 118.700 -0.001 0.000 2.204 63 N HA 0.059 4.799 4.740 0.000 0.000 0.219 63 N C 0.529 176.031 175.510 -0.014 0.000 1.151 63 N CA 0.020 53.061 53.050 -0.014 0.000 0.867 63 N CB 0.227 38.692 38.487 -0.037 0.000 1.043 63 N HN 0.154 nan 8.380 nan 0.000 0.516 64 S N -0.725 114.971 115.700 -0.005 0.000 2.681 64 S HA 0.836 5.306 4.470 0.000 0.000 0.299 64 S C 0.258 174.858 174.600 0.001 0.000 1.113 64 S CA -0.683 57.516 58.200 -0.002 0.000 1.013 64 S CB 1.795 64.997 63.200 0.004 0.000 1.076 64 S HN 0.365 nan 8.310 nan 0.000 0.534 65 A N 0.713 123.534 122.820 0.002 0.000 2.327 65 A HA 0.342 4.662 4.320 0.000 0.000 0.255 65 A C 0.889 178.477 177.584 0.007 0.000 1.099 65 A CA -0.380 51.659 52.037 0.003 0.000 0.801 65 A CB -0.369 18.633 19.000 0.003 0.000 1.062 65 A HN 0.979 nan 8.150 nan 0.000 0.496 66 E N 0.227 120.432 120.200 0.007 0.000 2.478 66 E HA -0.126 4.224 4.350 0.000 0.000 0.198 66 E C 0.589 177.195 176.600 0.011 0.000 1.046 66 E CA 0.718 57.123 56.400 0.009 0.000 0.870 66 E CB -0.052 29.652 29.700 0.008 0.000 0.818 66 E HN 0.733 nan 8.360 nan 0.000 0.527 67 N N 1.225 119.932 118.700 0.010 0.000 2.370 67 N HA -0.079 4.661 4.740 0.000 0.000 0.198 67 N C -0.098 175.421 175.510 0.015 0.000 1.156 67 N CA 0.263 53.320 53.050 0.012 0.000 0.839 67 N CB 0.020 38.512 38.487 0.009 0.000 0.989 67 N HN 0.302 nan 8.380 nan 0.000 0.468 68 E N -1.090 119.120 120.200 0.017 0.000 2.433 68 E HA 0.437 4.787 4.350 0.000 0.000 0.278 68 E C -1.793 174.823 176.600 0.026 0.000 0.976 68 E CA -1.079 55.334 56.400 0.022 0.000 0.793 68 E CB 1.045 30.756 29.700 0.019 0.000 1.311 68 E HN -0.034 nan 8.360 nan 0.000 0.460 69 N N 0.987 119.708 118.700 0.035 0.000 2.480 69 N HA 0.297 5.037 4.740 0.000 0.000 0.289 69 N C -1.887 173.654 175.510 0.052 0.000 1.073 69 N CA -0.553 52.522 53.050 0.041 0.000 0.885 69 N CB 1.293 39.812 38.487 0.053 0.000 1.421 69 N HN 0.470 nan 8.380 nan 0.000 0.503 70 N N 1.806 120.533 118.700 0.045 0.000 2.564 70 N HA 0.376 5.116 4.740 0.000 0.000 0.248 70 N C -1.389 174.133 175.510 0.020 0.000 0.986 70 N CA -0.329 52.777 53.050 0.094 0.000 0.921 70 N CB 1.344 39.903 38.487 0.119 0.000 1.136 70 N HN 0.664 nan 8.380 nan 0.000 0.509 71 S N 0.538 116.257 115.700 0.031 0.000 2.579 71 S HA 0.836 5.306 4.470 0.000 0.000 0.272 71 S C -1.448 173.078 174.600 -0.122 0.000 1.141 71 S CA -0.994 57.009 58.200 -0.329 0.000 0.843 71 S CB 1.755 64.773 63.200 -0.304 0.000 1.122 71 S HN 0.579 nan 8.310 nan 0.000 0.468 72 W N -0.922 120.017 121.300 -0.602 0.000 3.066 72 W HA 0.691 5.351 4.660 0.000 0.000 0.330 72 W C -1.604 174.635 176.519 -0.466 0.000 1.253 72 W CA -0.917 56.197 57.345 -0.385 0.000 1.187 72 W CB 0.465 29.794 29.460 -0.219 0.000 1.434 72 W HN 0.547 nan 8.180 nan 0.000 0.572 73 T N 2.605 117.284 114.554 0.208 0.000 2.743 73 T HA 0.268 4.618 4.350 0.000 0.000 0.293 73 T C 0.969 175.748 174.700 0.133 0.000 0.945 73 T CA -0.401 61.820 62.100 0.201 0.000 1.030 73 T CB 1.094 70.155 68.868 0.322 0.000 0.912 73 T HN 0.473 nan 8.240 nan 0.000 0.483 74 R N 1.981 122.474 120.500 -0.011 0.000 2.052 74 R HA 0.180 4.520 4.340 0.000 0.000 0.226 74 R C 0.899 177.161 176.300 -0.063 0.000 1.145 74 R CA 0.657 56.753 56.100 -0.007 0.000 0.952 74 R CB 0.086 30.362 30.300 -0.040 0.000 0.847 74 R HN 0.583 nan 8.270 nan 0.000 0.431 75 V N -3.667 116.208 119.914 -0.065 0.000 3.007 75 V HA 0.891 5.011 4.120 0.000 0.000 0.311 75 V C -1.513 174.604 176.094 0.039 0.000 1.120 75 V CA -1.140 61.188 62.300 0.046 0.000 0.980 75 V CB 2.046 34.002 31.823 0.222 0.000 1.033 75 V HN 0.134 nan 8.190 nan 0.000 0.429 76 A N 4.044 126.958 122.820 0.157 0.000 2.579 76 A HA 0.850 5.170 4.320 0.000 0.000 0.288 76 A C -1.112 176.575 177.584 0.172 0.000 1.079 76 A CA -0.310 51.809 52.037 0.136 0.000 0.889 76 A CB 0.544 19.702 19.000 0.262 0.000 1.439 76 A HN 2.174 nan 8.150 nan 0.000 0.399 77 F N 0.005 119.993 119.950 0.063 0.000 2.645 77 F HA 0.937 5.464 4.527 0.000 0.000 0.310 77 F C -0.251 175.577 175.800 0.047 0.000 1.102 77 F CA -0.843 57.173 58.000 0.027 0.000 0.952 77 F CB 1.327 40.324 39.000 -0.005 0.000 1.326 77 F HN 0.832 nan 8.300 nan 0.000 0.456 78 A N 0.892 123.839 122.820 0.211 0.000 2.374 78 A HA 1.011 5.331 4.320 0.000 0.000 0.317 78 A C -0.473 177.041 177.584 -0.116 0.000 1.094 78 A CA -0.405 51.653 52.037 0.035 0.000 0.765 78 A CB 1.343 20.365 19.000 0.037 0.000 1.268 78 A HN 1.831 nan 8.150 nan 0.000 0.438 79 G N -0.454 108.013 108.800 -0.555 0.000 2.649 79 G HA2 0.597 4.557 3.960 0.000 0.000 0.290 79 G HA3 0.597 4.557 3.960 0.000 0.000 0.290 79 G C -1.796 172.648 174.900 -0.760 0.000 1.426 79 G CA -0.617 43.999 45.100 -0.806 0.000 0.794 79 G HN 0.754 nan 8.290 nan 0.000 0.483 80 L N 0.253 121.353 121.223 -0.205 0.000 2.381 80 L HA 0.652 4.992 4.340 0.000 0.000 0.268 80 L C -0.233 176.841 176.870 0.340 0.000 0.997 80 L CA -0.859 54.042 54.840 0.102 0.000 0.818 80 L CB 2.606 44.764 42.059 0.164 0.000 1.310 80 L HN 0.374 nan 8.230 nan 0.000 0.416 81 K N 2.418 123.048 120.400 0.382 0.000 2.345 81 K HA 0.489 4.809 4.320 0.000 0.000 0.255 81 K C -1.919 174.838 176.600 0.262 0.000 0.934 81 K CA -0.536 55.945 56.287 0.323 0.000 0.801 81 K CB 1.955 34.618 32.500 0.272 0.000 1.137 81 K HN 0.414 nan 8.250 nan 0.000 0.424 82 F N 3.497 123.516 119.950 0.115 0.000 2.449 82 F HA 0.209 4.736 4.527 0.000 0.000 0.342 82 F C 0.252 176.090 175.800 0.063 0.000 1.127 82 F CA -0.540 57.512 58.000 0.087 0.000 0.975 82 F CB 1.585 40.638 39.000 0.088 0.000 1.146 82 F HN 0.506 nan 8.300 nan 0.000 0.444 83 Q N 5.200 124.813 119.800 -0.312 0.000 2.320 83 Q HA -0.037 4.303 4.340 0.000 0.000 0.311 83 Q C -0.236 175.804 176.000 0.068 0.000 1.083 83 Q CA 0.930 56.645 55.803 -0.147 0.000 1.001 83 Q CB 0.211 28.793 28.738 -0.261 0.000 1.074 83 Q HN 0.805 nan 8.270 nan 0.000 0.379 84 D N 1.955 122.406 120.400 0.085 0.000 2.945 84 D HA -0.183 4.457 4.640 0.000 0.000 0.225 84 D C -0.154 176.263 176.300 0.194 0.000 1.158 84 D CA 0.968 55.044 54.000 0.128 0.000 0.805 84 D CB -1.267 39.622 40.800 0.148 0.000 1.098 84 D HN 0.358 nan 8.370 nan 0.000 0.426 85 V N -1.961 118.062 119.914 0.182 0.000 3.442 85 V HA 0.678 4.798 4.120 0.000 0.000 0.205 85 V C 1.296 177.353 176.094 -0.061 0.000 1.320 85 V CA 0.956 63.337 62.300 0.135 0.000 1.306 85 V CB 1.071 33.063 31.823 0.281 0.000 1.267 85 V HN 0.479 nan 8.190 nan 0.000 0.538 86 G N 0.165 109.003 108.800 0.064 0.000 2.323 86 G HA2 0.490 4.450 3.960 0.000 0.000 0.291 86 G HA3 0.490 4.450 3.960 0.000 0.000 0.291 86 G C -1.234 173.746 174.900 0.133 0.000 1.278 86 G CA 0.329 45.440 45.100 0.019 0.000 0.860 86 G HN 0.892 nan 8.290 nan 0.000 0.504 87 S N -1.402 114.382 115.700 0.140 0.000 2.595 87 S HA 0.858 5.328 4.470 0.000 0.000 0.281 87 S C -1.508 173.243 174.600 0.253 0.000 1.117 87 S CA -0.711 57.623 58.200 0.224 0.000 0.873 87 S CB 2.433 65.758 63.200 0.208 0.000 1.108 87 S HN 1.849 nan 8.310 nan 0.000 0.477 88 F N 1.540 121.535 119.950 0.076 0.000 2.569 88 F HA 0.706 5.233 4.527 0.000 0.000 0.312 88 F C -1.874 173.905 175.800 -0.034 0.000 1.109 88 F CA -0.499 57.441 58.000 -0.100 0.000 0.919 88 F CB 1.716 40.590 39.000 -0.210 0.000 1.211 88 F HN 0.941 nan 8.300 nan 0.000 0.446 89 D N 3.237 123.036 120.400 -1.001 0.000 2.596 89 D HA 0.404 5.044 4.640 0.000 0.000 0.234 89 D C -2.068 173.719 176.300 -0.855 0.000 1.181 89 D CA -0.578 52.968 54.000 -0.758 0.000 0.856 89 D CB 1.998 42.686 40.800 -0.187 0.000 1.498 89 D HN 0.496 nan 8.370 nan 0.000 0.446 90 Y N 0.169 120.176 120.300 -0.488 0.000 2.492 90 Y HA 0.686 5.236 4.550 0.000 0.000 0.346 90 Y C 0.108 176.027 175.900 0.032 0.000 0.997 90 Y CA 0.365 58.339 58.100 -0.210 0.000 1.025 90 Y CB 1.947 40.355 38.460 -0.085 0.000 1.263 90 Y HN 0.982 nan 8.280 nan 0.000 0.454 91 G N 4.084 112.382 108.800 -0.837 0.000 2.332 91 G HA2 0.052 4.012 3.960 0.000 0.000 0.265 91 G HA3 0.052 4.012 3.960 0.000 0.000 0.265 91 G C -1.752 172.979 174.900 -0.282 0.000 1.329 91 G CA -1.216 43.616 45.100 -0.447 0.000 0.949 91 G HN 0.745 nan 8.290 nan 0.000 0.476 92 R N 0.846 121.315 120.500 -0.053 0.000 2.267 92 R HA 0.552 4.892 4.340 0.000 0.000 0.319 92 R C -0.349 176.029 176.300 0.130 0.000 1.067 92 R CA -0.151 55.949 56.100 0.000 0.000 0.936 92 R CB 0.269 30.576 30.300 0.012 0.000 1.006 92 R HN 0.612 nan 8.270 nan 0.000 0.452 93 N N 2.385 121.171 118.700 0.142 0.000 3.344 93 N HA 0.206 4.946 4.740 0.000 0.000 0.296 93 N C -1.801 173.678 175.510 -0.052 0.000 1.571 93 N CA -0.658 52.418 53.050 0.043 0.000 0.844 93 N CB 0.655 39.030 38.487 -0.186 0.000 1.718 93 N HN 0.323 nan 8.380 nan 0.000 0.589 94 Y N 0.295 120.488 120.300 -0.179 0.000 2.299 94 Y HA 0.466 5.016 4.550 0.000 0.000 0.326 94 Y C 1.467 176.996 175.900 -0.618 0.000 1.164 94 Y CA -0.068 57.863 58.100 -0.282 0.000 1.234 94 Y CB 0.944 39.274 38.460 -0.217 0.000 1.219 94 Y HN 0.486 nan 8.280 nan 0.000 0.497 95 G N 0.832 109.316 108.800 -0.527 0.000 2.544 95 G HA2 0.268 4.228 3.960 0.000 0.000 0.242 95 G HA3 0.268 4.228 3.960 0.000 0.000 0.242 95 G C 0.925 175.619 174.900 -0.344 0.000 1.247 95 G CA -0.211 44.441 45.100 -0.746 0.000 0.840 95 G HN 0.772 nan 8.290 nan 0.000 0.578 96 V N 0.534 120.250 119.914 -0.329 0.000 2.913 96 V HA -0.113 4.007 4.120 0.000 0.000 0.260 96 V C 2.528 178.520 176.094 -0.171 0.000 1.098 96 V CA 1.321 63.496 62.300 -0.208 0.000 1.121 96 V CB -0.775 30.945 31.823 -0.172 0.000 0.714 96 V HN 0.398 nan 8.190 nan 0.000 0.487 97 V N -0.274 119.544 119.914 -0.160 0.000 2.490 97 V HA -0.251 3.869 4.120 0.000 0.000 0.250 97 V C 2.375 178.353 176.094 -0.193 0.000 1.061 97 V CA 2.451 64.650 62.300 -0.170 0.000 1.064 97 V CB -1.027 30.703 31.823 -0.156 0.000 0.670 97 V HN 0.681 nan 8.190 nan 0.000 0.461 98 Y N 1.301 121.431 120.300 -0.283 0.000 2.497 98 Y HA -0.171 4.379 4.550 0.000 0.000 0.292 98 Y C 2.145 177.854 175.900 -0.319 0.000 1.137 98 Y CA 1.143 59.074 58.100 -0.282 0.000 1.285 98 Y CB -0.271 38.100 38.460 -0.148 0.000 0.991 98 Y HN 0.371 nan 8.280 nan 0.000 0.556 99 D N -0.835 119.383 120.400 -0.304 0.000 2.190 99 D HA -0.179 4.461 4.640 0.000 0.000 0.200 99 D C 2.171 178.022 176.300 -0.749 0.000 0.992 99 D CA 1.678 55.424 54.000 -0.423 0.000 0.854 99 D CB -0.154 40.468 40.800 -0.297 0.000 0.936 99 D HN 0.316 nan 8.370 nan 0.000 0.462 100 V N 0.390 119.888 119.914 -0.693 0.000 2.521 100 V HA -0.097 4.023 4.120 0.000 0.000 0.239 100 V C 2.564 178.269 176.094 -0.648 0.000 1.053 100 V CA 1.667 63.447 62.300 -0.867 0.000 1.073 100 V CB -0.677 30.848 31.823 -0.497 0.000 0.746 100 V HN 0.268 nan 8.190 nan 0.000 0.476 101 T N -0.407 113.871 114.554 -0.460 0.000 2.962 101 T HA -0.156 4.194 4.350 0.000 0.000 0.270 101 T C 1.975 176.472 174.700 -0.339 0.000 1.088 101 T CA 1.447 63.370 62.100 -0.295 0.000 1.127 101 T CB -0.546 68.158 68.868 -0.274 0.000 0.883 101 T HN 0.570 nan 8.240 nan 0.000 0.493 102 S N 0.155 115.374 115.700 -0.801 0.000 2.419 102 S HA -0.140 4.330 4.470 0.000 0.000 0.235 102 S C 1.641 176.138 174.600 -0.171 0.000 1.019 102 S CA 0.535 58.208 58.200 -0.879 0.000 0.982 102 S CB -1.041 61.413 63.200 -1.243 0.000 0.789 102 S HN 0.639 nan 8.310 nan 0.000 0.490 103 W N 2.970 124.145 121.300 -0.207 0.000 2.421 103 W HA 0.057 4.717 4.660 0.000 0.000 0.270 103 W C 2.484 179.046 176.519 0.071 0.000 1.233 103 W CA 1.401 58.728 57.345 -0.030 0.000 1.226 103 W CB -1.392 28.052 29.460 -0.027 0.000 1.121 103 W HN 0.652 nan 8.180 nan 0.000 0.579 104 T N -4.209 110.481 114.554 0.227 0.000 3.054 104 T HA 0.023 4.373 4.350 0.000 0.000 0.255 104 T C 0.483 175.254 174.700 0.118 0.000 1.035 104 T CA 0.055 62.252 62.100 0.163 0.000 0.941 104 T CB 0.070 68.984 68.868 0.077 0.000 1.026 104 T HN -0.219 nan 8.240 nan 0.000 0.533 105 D N 2.587 123.051 120.400 0.107 0.000 2.845 105 D HA 0.185 4.825 4.640 0.000 0.000 0.235 105 D C 1.020 177.359 176.300 0.066 0.000 1.158 105 D CA -0.310 53.763 54.000 0.120 0.000 0.990 105 D CB 0.033 40.961 40.800 0.213 0.000 1.094 105 D HN 0.380 nan 8.370 nan 0.000 0.486 106 V N -0.848 119.086 119.914 0.033 0.000 3.166 106 V HA 0.353 4.473 4.120 0.000 0.000 0.332 106 V C 0.552 176.622 176.094 -0.040 0.000 1.434 106 V CA -0.529 61.742 62.300 -0.049 0.000 1.121 106 V CB -0.702 31.019 31.823 -0.170 0.000 1.062 106 V HN 0.049 nan 8.190 nan 0.000 0.489 107 L N 0.866 122.091 121.223 0.003 0.000 2.418 107 L HA 0.388 4.728 4.340 0.000 0.000 0.265 107 L C -0.882 175.926 176.870 -0.103 0.000 1.143 107 L CA -1.483 53.357 54.840 0.001 0.000 0.809 107 L CB 0.635 42.744 42.059 0.084 0.000 1.124 107 L HN 0.021 nan 8.230 nan 0.000 0.456 108 P HA -0.194 nan 4.420 nan 0.000 0.215 108 P C 0.853 177.737 177.300 -0.694 0.000 1.157 108 P CA 1.224 64.030 63.100 -0.490 0.000 0.874 108 P CB 0.410 31.866 31.700 -0.407 0.000 0.790 109 E N -3.016 116.903 120.200 -0.468 0.000 2.564 109 E HA 0.160 4.510 4.350 0.000 0.000 0.203 109 E C 0.732 177.104 176.600 -0.381 0.000 0.867 109 E CA 0.165 56.275 56.400 -0.483 0.000 1.250 109 E CB -0.273 29.023 29.700 -0.673 0.000 1.215 109 E HN -0.066 nan 8.360 nan 0.000 0.566 110 F N 0.592 120.554 119.950 0.020 0.000 2.317 110 F HA 0.664 5.191 4.527 0.000 0.000 0.266 110 F C 1.455 177.309 175.800 0.090 0.000 0.913 110 F CA 0.278 58.301 58.000 0.038 0.000 1.117 110 F CB -0.408 38.582 39.000 -0.016 0.000 1.980 110 F HN 0.169 nan 8.300 nan 0.000 0.600 111 G N -1.099 107.952 108.800 0.418 0.000 2.795 111 G HA2 0.375 4.335 3.960 0.000 0.000 0.664 111 G HA3 0.375 4.335 3.960 0.000 0.000 0.664 111 G C 0.447 175.418 174.900 0.118 0.000 1.381 111 G CA -0.246 44.998 45.100 0.241 0.000 0.853 111 G HN 1.880 nan 8.290 nan 0.000 0.545 112 G N -0.744 108.080 108.800 0.041 0.000 2.283 112 G HA2 0.070 4.030 3.960 0.000 0.000 0.280 112 G HA3 0.070 4.030 3.960 0.000 0.000 0.280 112 G C 0.479 175.097 174.900 -0.471 0.000 1.029 112 G CA 1.389 46.446 45.100 -0.071 0.000 0.840 112 G HN 2.331 nan 8.290 nan 0.000 0.505 113 D N -1.147 119.059 120.400 -0.323 0.000 2.740 113 D HA 0.122 4.762 4.640 0.000 0.000 0.301 113 D C 1.481 177.652 176.300 -0.214 0.000 1.408 113 D CA 0.539 54.356 54.000 -0.304 0.000 0.808 113 D CB -0.705 40.055 40.800 -0.068 0.000 1.128 113 D HN 0.420 nan 8.370 nan 0.000 0.465 114 T N -2.431 111.984 114.554 -0.231 0.000 3.148 114 T HA 0.146 4.496 4.350 0.000 0.000 0.253 114 T C 0.433 175.189 174.700 0.094 0.000 1.134 114 T CA 0.290 62.377 62.100 -0.021 0.000 1.051 114 T CB -0.739 68.174 68.868 0.075 0.000 0.959 114 T HN 0.371 nan 8.240 nan 0.000 0.525 115 Y N -1.967 118.368 120.300 0.057 0.000 2.728 115 Y HA 0.834 5.384 4.550 0.000 0.000 0.330 115 Y C 0.069 175.997 175.900 0.046 0.000 1.234 115 Y CA -1.721 56.418 58.100 0.065 0.000 1.070 115 Y CB 0.830 39.342 38.460 0.086 0.000 1.300 115 Y HN 0.101 nan 8.280 nan 0.000 0.467 116 G N -0.264 108.654 108.800 0.197 0.000 2.975 116 G HA2 0.535 4.495 3.960 0.000 0.000 0.291 116 G HA3 0.535 4.495 3.960 0.000 0.000 0.291 116 G C -1.589 173.366 174.900 0.092 0.000 1.334 116 G CA -1.193 43.941 45.100 0.055 0.000 0.843 116 G HN 0.643 nan 8.290 nan 0.000 0.548 117 S N 0.389 116.070 115.700 -0.031 0.000 2.601 117 S HA 0.401 4.871 4.470 0.000 0.000 0.271 117 S C -0.373 174.167 174.600 -0.099 0.000 1.305 117 S CA -0.159 57.993 58.200 -0.080 0.000 1.022 117 S CB 0.804 63.905 63.200 -0.165 0.000 0.940 117 S HN 0.599 nan 8.310 nan 0.000 0.525 118 D N 1.663 122.000 120.400 -0.104 0.000 2.697 118 D HA -0.195 4.445 4.640 0.000 0.000 0.238 118 D C -0.293 175.911 176.300 -0.160 0.000 1.152 118 D CA 0.668 54.585 54.000 -0.139 0.000 0.666 118 D CB -1.243 39.456 40.800 -0.168 0.000 1.037 118 D HN 0.678 nan 8.370 nan 0.000 0.423 119 N N 0.360 119.006 118.700 -0.090 0.000 2.765 119 N HA 0.228 4.968 4.740 0.000 0.000 0.277 119 N C 0.370 175.916 175.510 0.060 0.000 1.750 119 N CA -0.471 52.542 53.050 -0.062 0.000 0.827 119 N CB 0.439 38.984 38.487 0.098 0.000 1.200 119 N HN -0.065 nan 8.380 nan 0.000 0.494 120 F N -0.059 119.937 119.950 0.076 0.000 2.169 120 F HA -0.404 4.123 4.527 0.000 0.000 0.314 120 F C 1.229 177.118 175.800 0.148 0.000 0.318 120 F CA 1.140 59.178 58.000 0.063 0.000 0.904 120 F CB -0.605 38.412 39.000 0.028 0.000 4.078 120 F HN 0.282 nan 8.300 nan 0.000 0.173 121 M N 0.495 120.313 119.600 0.362 0.000 2.723 121 M HA 0.143 4.623 4.480 0.000 0.000 0.270 121 M C 0.869 177.227 176.300 0.097 0.000 1.282 121 M CA 0.341 55.813 55.300 0.287 0.000 0.995 121 M CB 0.114 32.827 32.600 0.188 0.000 1.430 121 M HN 0.445 nan 8.290 nan 0.000 0.477 122 Q N -0.100 119.771 119.800 0.117 0.000 2.339 122 Q HA 0.109 4.449 4.340 0.000 0.000 0.205 122 Q C 1.338 177.300 176.000 -0.063 0.000 0.925 122 Q CA 0.737 56.533 55.803 -0.011 0.000 0.898 122 Q CB 0.843 29.608 28.738 0.045 0.000 1.013 122 Q HN 0.548 nan 8.270 nan 0.000 0.504 123 Q N -0.713 119.105 119.800 0.029 0.000 2.634 123 Q HA 0.278 4.618 4.340 0.000 0.000 0.417 123 Q C -0.835 175.105 176.000 -0.101 0.000 0.592 123 Q CA -0.557 55.225 55.803 -0.034 0.000 0.952 123 Q CB 1.035 29.829 28.738 0.094 0.000 1.171 123 Q HN 0.000 nan 8.270 nan 0.000 0.369 124 R N -0.419 119.919 120.500 -0.270 0.000 2.594 124 R HA 0.553 4.893 4.340 0.000 0.000 0.272 124 R C -0.067 176.206 176.300 -0.045 0.000 1.074 124 R CA 0.608 56.504 56.100 -0.341 0.000 1.105 124 R CB 0.789 30.788 30.300 -0.502 0.000 1.008 124 R HN 0.630 nan 8.270 nan 0.000 0.472 125 G N 1.044 109.873 108.800 0.049 0.000 2.466 125 G HA2 0.141 4.101 3.960 0.000 0.000 0.291 125 G HA3 0.141 4.101 3.960 0.000 0.000 0.291 125 G C -1.627 173.060 174.900 -0.355 0.000 1.460 125 G CA -1.014 44.005 45.100 -0.135 0.000 0.791 125 G HN 0.579 nan 8.290 nan 0.000 0.505 126 N N -0.477 117.969 118.700 -0.423 0.000 2.509 126 N HA 0.498 5.238 4.740 0.000 0.000 0.287 126 N C 0.843 176.035 175.510 -0.530 0.000 1.121 126 N CA 0.648 53.477 53.050 -0.369 0.000 0.977 126 N CB 1.537 39.898 38.487 -0.209 0.000 1.167 126 N HN 1.649 nan 8.380 nan 0.000 0.476 127 G N 0.522 109.063 108.800 -0.433 0.000 2.182 127 G HA2 -0.255 3.705 3.960 0.000 0.000 0.248 127 G HA3 -0.255 3.705 3.960 0.000 0.000 0.248 127 G C -0.716 174.030 174.900 -0.257 0.000 1.042 127 G CA -0.459 44.454 45.100 -0.312 0.000 0.775 127 G HN 0.378 nan 8.290 nan 0.000 0.501 128 F N 0.927 120.728 119.950 -0.249 0.000 2.424 128 F HA 0.619 5.146 4.527 0.000 0.000 0.356 128 F C 0.780 176.543 175.800 -0.062 0.000 1.110 128 F CA -0.642 57.294 58.000 -0.107 0.000 1.161 128 F CB 1.649 40.558 39.000 -0.153 0.000 1.115 128 F HN 0.391 nan 8.300 nan 0.000 0.507 129 A N 3.125 126.201 122.820 0.426 0.000 2.256 129 A HA 0.680 5.000 4.320 0.000 0.000 0.317 129 A C -0.356 177.384 177.584 0.260 0.000 1.318 129 A CA -0.409 51.877 52.037 0.414 0.000 0.894 129 A CB 0.140 19.561 19.000 0.701 0.000 1.165 129 A HN 0.665 nan 8.150 nan 0.000 0.525 130 T N 2.753 117.233 114.554 -0.123 0.000 2.809 130 T HA 0.524 4.874 4.350 0.000 0.000 0.284 130 T C -1.153 173.484 174.700 -0.105 0.000 0.992 130 T CA 0.031 62.088 62.100 -0.073 0.000 0.957 130 T CB 0.393 69.148 68.868 -0.188 0.000 0.942 130 T HN 0.427 nan 8.240 nan 0.000 0.439 131 Y N 2.086 122.504 120.300 0.196 0.000 2.352 131 Y HA 0.636 5.186 4.550 0.000 0.000 0.339 131 Y C 0.823 176.767 175.900 0.074 0.000 0.992 131 Y CA -1.073 57.161 58.100 0.224 0.000 1.100 131 Y CB 1.459 40.078 38.460 0.265 0.000 1.192 131 Y HN 0.316 nan 8.280 nan 0.000 0.458 132 R N 2.076 122.660 120.500 0.140 0.000 2.686 132 R HA 0.368 4.708 4.340 0.000 0.000 0.283 132 R C -1.345 174.842 176.300 -0.188 0.000 0.978 132 R CA -1.079 54.994 56.100 -0.044 0.000 0.897 132 R CB 2.043 32.307 30.300 -0.059 0.000 1.192 132 R HN 0.548 nan 8.270 nan 0.000 0.457 133 N N 1.603 119.998 118.700 -0.508 0.000 2.448 133 N HA 0.172 4.912 4.740 0.000 0.000 0.279 133 N C -1.441 173.728 175.510 -0.568 0.000 1.025 133 N CA -0.227 52.397 53.050 -0.711 0.000 0.898 133 N CB 1.974 39.639 38.487 -1.371 0.000 1.303 133 N HN 0.649 nan 8.380 nan 0.000 0.495 134 T N 0.438 114.804 114.554 -0.312 0.000 2.795 134 T HA 0.359 4.709 4.350 0.000 0.000 0.282 134 T C -0.057 174.594 174.700 -0.082 0.000 0.980 134 T CA -0.322 61.684 62.100 -0.157 0.000 1.012 134 T CB 0.971 69.786 68.868 -0.089 0.000 0.936 134 T HN 0.449 nan 8.240 nan 0.000 0.457 135 D N 0.408 120.824 120.400 0.028 0.000 3.059 135 D HA -0.219 4.421 4.640 0.000 0.000 0.220 135 D C 0.067 176.509 176.300 0.236 0.000 1.169 135 D CA 1.448 55.528 54.000 0.133 0.000 0.902 135 D CB -2.088 38.774 40.800 0.103 0.000 1.116 135 D HN 0.895 nan 8.370 nan 0.000 0.417 136 F N -0.461 119.485 119.950 -0.007 0.000 2.572 136 F HA -0.319 4.208 4.527 0.000 0.000 0.282 136 F C 0.193 176.107 175.800 0.191 0.000 1.047 136 F CA 0.721 58.768 58.000 0.079 0.000 1.022 136 F CB -1.614 37.544 39.000 0.263 0.000 1.226 136 F HN 0.109 nan 8.300 nan 0.000 0.827 137 F N 0.915 120.789 119.950 -0.127 0.000 3.084 137 F HA -0.203 4.324 4.527 0.000 0.000 0.286 137 F C 1.551 177.364 175.800 0.021 0.000 0.855 137 F CA 1.461 59.404 58.000 -0.094 0.000 1.091 137 F CB -1.571 37.302 39.000 -0.211 0.000 1.177 137 F HN 1.234 nan 8.300 nan 0.000 0.542 138 G N -0.750 108.140 108.800 0.151 0.000 2.179 138 G HA2 -0.261 3.699 3.960 0.000 0.000 0.257 138 G HA3 -0.261 3.699 3.960 0.000 0.000 0.257 138 G C 0.452 175.465 174.900 0.189 0.000 1.010 138 G CA 0.443 45.633 45.100 0.149 0.000 0.736 138 G HN 0.513 nan 8.290 nan 0.000 0.513 139 L N -0.766 120.620 121.223 0.272 0.000 2.766 139 L HA 0.435 4.775 4.340 0.000 0.000 0.242 139 L C 0.615 177.646 176.870 0.268 0.000 1.136 139 L CA 0.480 55.485 54.840 0.276 0.000 0.933 139 L CB 1.320 43.584 42.059 0.341 0.000 1.241 139 L HN 0.126 nan 8.230 nan 0.000 0.522 140 V N -0.406 119.680 119.914 0.286 0.000 2.501 140 V HA 0.262 4.382 4.120 0.000 0.000 0.277 140 V C -0.909 175.331 176.094 0.244 0.000 1.004 140 V CA -1.155 61.282 62.300 0.229 0.000 0.862 140 V CB 1.297 33.225 31.823 0.175 0.000 1.035 140 V HN -0.028 nan 8.190 nan 0.000 0.448 141 D N 3.442 123.973 120.400 0.217 0.000 2.487 141 D HA 0.391 5.031 4.640 0.000 0.000 0.243 141 D C 1.335 177.785 176.300 0.250 0.000 1.154 141 D CA 2.142 56.260 54.000 0.196 0.000 0.876 141 D CB 1.256 42.153 40.800 0.162 0.000 1.161 141 D HN 0.957 nan 8.370 nan 0.000 0.478 142 G N 1.602 110.511 108.800 0.181 0.000 2.217 142 G HA2 -0.270 3.690 3.960 0.000 0.000 0.246 142 G HA3 -0.270 3.690 3.960 0.000 0.000 0.246 142 G C 0.147 175.208 174.900 0.267 0.000 0.990 142 G CA 0.080 45.260 45.100 0.133 0.000 0.627 142 G HN 0.496 nan 8.290 nan 0.000 0.522 143 L N 1.751 123.205 121.223 0.384 0.000 2.265 143 L HA 0.789 5.129 4.340 0.000 0.000 0.288 143 L C -0.684 176.339 176.870 0.255 0.000 1.058 143 L CA -1.164 53.916 54.840 0.399 0.000 0.809 143 L CB 0.957 43.205 42.059 0.314 0.000 1.179 143 L HN 0.155 nan 8.230 nan 0.000 0.429 144 N N 4.810 123.643 118.700 0.221 0.000 2.238 144 N HA 0.670 5.410 4.740 0.000 0.000 0.302 144 N C -1.212 174.404 175.510 0.177 0.000 1.072 144 N CA -0.197 52.908 53.050 0.093 0.000 0.792 144 N CB 1.819 40.328 38.487 0.038 0.000 1.425 144 N HN 0.471 nan 8.380 nan 0.000 0.478 145 F N -0.761 119.223 119.950 0.056 0.000 2.629 145 F HA 0.976 5.503 4.527 0.000 0.000 0.316 145 F C -1.067 174.745 175.800 0.020 0.000 1.081 145 F CA -1.344 56.677 58.000 0.035 0.000 0.954 145 F CB 1.246 40.279 39.000 0.054 0.000 1.337 145 F HN 0.462 nan 8.300 nan 0.000 0.474 146 A N 1.183 124.156 122.820 0.254 0.000 2.520 146 A HA 0.804 5.124 4.320 0.000 0.000 0.298 146 A C -2.079 175.594 177.584 0.148 0.000 1.051 146 A CA -0.815 51.302 52.037 0.133 0.000 0.690 146 A CB 1.701 20.707 19.000 0.011 0.000 1.281 146 A HN 0.973 nan 8.150 nan 0.000 0.402 147 V N 1.381 121.382 119.914 0.145 0.000 2.709 147 V HA 0.693 4.813 4.120 0.000 0.000 0.308 147 V C -0.323 175.772 176.094 0.002 0.000 1.062 147 V CA -0.449 61.865 62.300 0.023 0.000 0.901 147 V CB 1.743 33.571 31.823 0.009 0.000 1.003 147 V HN 0.985 nan 8.190 nan 0.000 0.425 148 Q N 2.259 121.935 119.800 -0.208 0.000 2.359 148 Q HA 0.627 4.967 4.340 0.000 0.000 0.274 148 Q C -2.239 173.589 176.000 -0.287 0.000 1.074 148 Q CA -0.641 55.090 55.803 -0.121 0.000 0.810 148 Q CB 2.674 31.352 28.738 -0.100 0.000 1.342 148 Q HN 0.719 nan 8.270 nan 0.000 0.427 149 Y N 0.817 121.296 120.300 0.298 0.000 2.429 149 Y HA 0.389 4.939 4.550 0.000 0.000 0.342 149 Y C -0.414 175.677 175.900 0.318 0.000 1.004 149 Y CA -0.710 57.554 58.100 0.273 0.000 1.075 149 Y CB 2.162 40.783 38.460 0.267 0.000 1.214 149 Y HN 0.502 nan 8.280 nan 0.000 0.455 150 Q N 1.604 121.635 119.800 0.386 0.000 2.330 150 Q HA 0.593 4.933 4.340 0.000 0.000 0.269 150 Q C -0.306 175.781 176.000 0.145 0.000 1.022 150 Q CA -0.776 55.155 55.803 0.212 0.000 0.796 150 Q CB 1.661 30.463 28.738 0.107 0.000 1.271 150 Q HN 0.998 nan 8.270 nan 0.000 0.450 151 G N 2.675 111.540 108.800 0.108 0.000 2.539 151 G HA2 0.116 4.076 3.960 0.000 0.000 0.258 151 G HA3 0.116 4.076 3.960 0.000 0.000 0.258 151 G C -0.651 174.262 174.900 0.022 0.000 1.202 151 G CA -0.469 44.681 45.100 0.083 0.000 0.851 151 G HN 0.681 nan 8.290 nan 0.000 0.556 152 K N 0.726 121.140 120.400 0.023 0.000 2.524 152 K HA -0.020 4.300 4.320 0.000 0.000 0.279 152 K C -0.537 176.045 176.600 -0.029 0.000 0.993 152 K CA 0.272 56.558 56.287 -0.001 0.000 1.030 152 K CB 0.110 32.611 32.500 0.003 0.000 0.891 152 K HN 0.470 nan 8.250 nan 0.000 0.488 153 N N 2.815 121.482 118.700 -0.055 0.000 2.531 153 N HA 0.235 4.975 4.740 0.000 0.000 0.268 153 N C -0.418 175.042 175.510 -0.084 0.000 1.023 153 N CA -0.427 52.577 53.050 -0.076 0.000 0.896 153 N CB 1.976 40.397 38.487 -0.111 0.000 1.233 153 N HN 0.785 nan 8.380 nan 0.000 0.512 154 G N 1.017 109.766 108.800 -0.084 0.000 3.039 154 G HA2 0.218 4.178 3.960 0.000 0.000 0.159 154 G HA3 0.218 4.178 3.960 0.000 0.000 0.159 154 G C 0.093 174.891 174.900 -0.170 0.000 1.284 154 G CA -0.363 44.671 45.100 -0.110 0.000 0.996 154 G HN 0.340 nan 8.290 nan 0.000 0.592 155 N N 1.584 120.126 118.700 -0.263 0.000 2.479 155 N HA 0.261 5.001 4.740 0.000 0.000 0.257 155 N C -2.407 172.918 175.510 -0.308 0.000 1.232 155 N CA -0.829 51.924 53.050 -0.496 0.000 0.920 155 N CB 0.885 38.798 38.487 -0.957 0.000 1.105 155 N HN 0.062 nan 8.380 nan 0.000 0.444 156 P HA 0.013 nan 4.420 nan 0.000 0.269 156 P C -0.203 177.132 177.300 0.058 0.000 1.209 156 P CA -0.150 62.930 63.100 -0.033 0.000 0.776 156 P CB 0.369 32.105 31.700 0.060 0.000 0.876 157 S N 0.521 116.257 115.700 0.060 0.000 2.632 157 S HA 0.517 4.987 4.470 0.000 0.000 0.271 157 S C 1.095 175.757 174.600 0.103 0.000 1.260 157 S CA 0.115 58.366 58.200 0.085 0.000 1.010 157 S CB 0.168 63.398 63.200 0.050 0.000 0.965 157 S HN 0.930 nan 8.310 nan 0.000 0.534 158 G N 0.782 109.642 108.800 0.099 0.000 2.160 158 G HA2 -0.233 3.727 3.960 0.000 0.000 0.251 158 G HA3 -0.233 3.727 3.960 0.000 0.000 0.251 158 G C 0.093 175.041 174.900 0.080 0.000 1.008 158 G CA 0.473 45.618 45.100 0.075 0.000 0.724 158 G HN 0.801 nan 8.290 nan 0.000 0.514 159 E N -0.941 119.335 120.200 0.127 0.000 2.660 159 E HA 0.409 4.759 4.350 0.000 0.000 0.216 159 E C 1.559 178.113 176.600 -0.077 0.000 0.986 159 E CA 0.141 56.587 56.400 0.077 0.000 1.037 159 E CB 0.516 30.341 29.700 0.207 0.000 1.041 159 E HN 1.322 nan 8.360 nan 0.000 0.480 160 G N 1.413 110.194 108.800 -0.032 0.000 2.132 160 G HA2 -0.278 3.682 3.960 0.000 0.000 0.234 160 G HA3 -0.278 3.682 3.960 0.000 0.000 0.234 160 G C -0.089 174.714 174.900 -0.161 0.000 0.989 160 G CA -0.293 44.743 45.100 -0.106 0.000 0.676 160 G HN 0.181 nan 8.290 nan 0.000 0.522 161 F N 0.853 120.814 119.950 0.019 0.000 2.429 161 F HA 0.486 5.013 4.527 0.000 0.000 0.348 161 F C 1.853 177.665 175.800 0.020 0.000 1.109 161 F CA 0.830 58.843 58.000 0.022 0.000 1.232 161 F CB 1.558 40.573 39.000 0.025 0.000 1.157 161 F HN 0.100 nan 8.300 nan 0.000 0.564 162 T N -2.136 112.539 114.554 0.202 0.000 3.054 162 T HA 0.310 4.660 4.350 0.000 0.000 0.255 162 T C 0.059 174.825 174.700 0.111 0.000 1.035 162 T CA 0.384 62.554 62.100 0.117 0.000 0.941 162 T CB -0.370 68.540 68.868 0.070 0.000 1.026 162 T HN 0.547 nan 8.240 nan 0.000 0.533 163 S N -1.495 114.291 115.700 0.142 0.000 2.615 163 S HA 0.601 5.071 4.470 0.000 0.000 0.269 163 S C 0.777 175.413 174.600 0.060 0.000 1.161 163 S CA -0.211 58.042 58.200 0.088 0.000 0.817 163 S CB 0.874 64.118 63.200 0.075 0.000 1.131 163 S HN 1.205 nan 8.310 nan 0.000 0.467 164 G N -0.314 108.498 108.800 0.020 0.000 2.168 164 G HA2 -0.218 3.742 3.960 0.000 0.000 0.257 164 G HA3 -0.218 3.742 3.960 0.000 0.000 0.257 164 G C 0.094 174.954 174.900 -0.066 0.000 0.997 164 G CA 0.232 45.317 45.100 -0.024 0.000 0.708 164 G HN 1.302 nan 8.290 nan 0.000 0.520 165 V N 1.266 121.158 119.914 -0.037 0.000 2.686 165 V HA 0.660 4.780 4.120 0.000 0.000 0.295 165 V C 0.996 177.070 176.094 -0.033 0.000 1.055 165 V CA 0.623 62.893 62.300 -0.049 0.000 1.050 165 V CB 1.402 33.235 31.823 0.015 0.000 0.984 165 V HN 0.818 nan 8.190 nan 0.000 0.482 166 T N 0.147 114.675 114.554 -0.042 0.000 2.901 166 T HA 0.317 4.667 4.350 0.000 0.000 0.293 166 T C 0.833 175.526 174.700 -0.011 0.000 1.084 166 T CA -0.243 61.844 62.100 -0.021 0.000 1.008 166 T CB 1.364 70.217 68.868 -0.026 0.000 1.170 166 T HN 0.658 nan 8.240 nan 0.000 0.509 167 N N 1.376 120.077 118.700 0.002 0.000 2.205 167 N HA -0.210 4.530 4.740 0.000 0.000 0.186 167 N C 0.937 176.451 175.510 0.006 0.000 1.015 167 N CA 1.636 54.693 53.050 0.010 0.000 0.862 167 N CB -0.428 38.070 38.487 0.018 0.000 0.986 167 N HN 0.702 nan 8.380 nan 0.000 0.429 168 N N -0.291 118.407 118.700 -0.004 0.000 2.380 168 N HA 0.194 4.934 4.740 0.000 0.000 0.255 168 N C 0.216 175.707 175.510 -0.032 0.000 1.158 168 N CA -0.240 52.804 53.050 -0.010 0.000 0.878 168 N CB -0.241 38.242 38.487 -0.008 0.000 1.138 168 N HN 0.292 nan 8.380 nan 0.000 0.509 169 G N 0.989 109.765 108.800 -0.041 0.000 2.664 169 G HA2 0.326 4.286 3.960 0.000 0.000 0.242 169 G HA3 0.326 4.286 3.960 0.000 0.000 0.242 169 G C 0.257 175.115 174.900 -0.069 0.000 1.225 169 G CA -0.288 44.768 45.100 -0.074 0.000 0.849 169 G HN 0.612 nan 8.290 nan 0.000 0.581 170 R N 0.080 120.524 120.500 -0.093 0.000 2.762 170 R HA 0.216 4.556 4.340 0.000 0.000 0.271 170 R C -0.792 175.463 176.300 -0.076 0.000 1.038 170 R CA -0.704 55.353 56.100 -0.072 0.000 0.906 170 R CB -0.020 30.233 30.300 -0.077 0.000 1.259 170 R HN 0.679 nan 8.270 nan 0.000 0.457 171 D N 0.085 120.459 120.400 -0.042 0.000 2.419 171 D HA 0.026 4.666 4.640 0.000 0.000 0.236 171 D C 0.836 177.117 176.300 -0.032 0.000 1.165 171 D CA 0.352 54.345 54.000 -0.011 0.000 0.882 171 D CB 0.877 41.675 40.800 -0.002 0.000 1.201 171 D HN 0.605 nan 8.370 nan 0.000 0.443 172 A N 2.277 125.104 122.820 0.010 0.000 1.972 172 A HA -0.122 4.198 4.320 0.000 0.000 0.219 172 A C 2.465 180.043 177.584 -0.010 0.000 1.169 172 A CA 0.722 52.755 52.037 -0.007 0.000 0.635 172 A CB -0.627 18.393 19.000 0.035 0.000 0.810 172 A HN 0.665 nan 8.150 nan 0.000 0.446 173 L N -1.474 119.659 121.223 -0.149 0.000 2.353 173 L HA -0.101 4.239 4.340 0.000 0.000 0.220 173 L C 2.088 178.903 176.870 -0.092 0.000 1.133 173 L CA 0.981 55.694 54.840 -0.212 0.000 0.798 173 L CB -0.217 41.638 42.059 -0.339 0.000 0.922 173 L HN 0.335 nan 8.230 nan 0.000 0.445 174 R N -1.373 119.063 120.500 -0.108 0.000 2.543 174 R HA 0.185 4.525 4.340 0.000 0.000 0.323 174 R C 0.207 176.401 176.300 -0.177 0.000 1.002 174 R CA -0.177 55.831 56.100 -0.153 0.000 1.106 174 R CB 0.550 30.763 30.300 -0.146 0.000 1.280 174 R HN 0.368 nan 8.270 nan 0.000 0.549 175 Q N 1.513 121.220 119.800 -0.155 0.000 2.237 175 Q HA 0.249 4.589 4.340 0.000 0.000 0.219 175 Q C -0.273 175.582 176.000 -0.242 0.000 0.999 175 Q CA -0.413 55.295 55.803 -0.159 0.000 0.959 175 Q CB 1.071 29.749 28.738 -0.100 0.000 1.173 175 Q HN 0.200 nan 8.270 nan 0.000 0.527 176 N N -1.327 117.296 118.700 -0.128 0.000 2.710 176 N HA 0.246 4.986 4.740 0.000 0.000 0.257 176 N C -0.904 174.626 175.510 0.034 0.000 1.140 176 N CA -0.466 52.581 53.050 -0.004 0.000 0.953 176 N CB 1.012 39.493 38.487 -0.010 0.000 1.664 176 N HN 0.627 nan 8.380 nan 0.000 0.497 177 G N 0.174 109.026 108.800 0.085 0.000 2.508 177 G HA2 0.210 4.170 3.960 0.000 0.000 0.278 177 G HA3 0.210 4.170 3.960 0.000 0.000 0.278 177 G C -0.386 174.552 174.900 0.064 0.000 1.389 177 G CA -0.285 44.844 45.100 0.048 0.000 1.050 177 G HN 0.633 nan 8.290 nan 0.000 0.522 178 D N -0.343 120.091 120.400 0.057 0.000 2.443 178 D HA 0.440 5.080 4.640 0.000 0.000 0.239 178 D C 0.589 176.949 176.300 0.100 0.000 1.136 178 D CA 0.849 54.899 54.000 0.083 0.000 0.879 178 D CB 1.246 42.093 40.800 0.078 0.000 1.195 178 D HN 0.533 nan 8.370 nan 0.000 0.443 179 G N -0.533 108.353 108.800 0.143 0.000 2.619 179 G HA2 0.568 4.528 3.960 0.000 0.000 0.296 179 G HA3 0.568 4.528 3.960 0.000 0.000 0.296 179 G C -1.455 173.550 174.900 0.176 0.000 1.334 179 G CA -0.557 44.626 45.100 0.137 0.000 0.934 179 G HN 0.407 nan 8.290 nan 0.000 0.476 180 V N -0.161 119.809 119.914 0.092 0.000 2.841 180 V HA 0.991 5.111 4.120 0.000 0.000 0.310 180 V C 0.029 176.082 176.094 -0.069 0.000 1.090 180 V CA 0.448 62.750 62.300 0.003 0.000 0.930 180 V CB 1.955 33.804 31.823 0.044 0.000 1.014 180 V HN 1.602 nan 8.190 nan 0.000 0.425 181 G N 2.684 111.398 108.800 -0.142 0.000 2.682 181 G HA2 0.835 4.795 3.960 0.000 0.000 0.290 181 G HA3 0.835 4.795 3.960 0.000 0.000 0.290 181 G C -0.657 174.162 174.900 -0.135 0.000 1.425 181 G CA -0.255 44.769 45.100 -0.126 0.000 0.807 181 G HN 1.442 nan 8.290 nan 0.000 0.482 182 G N -1.035 107.704 108.800 -0.102 0.000 2.704 182 G HA2 0.766 4.726 3.960 0.000 0.000 0.293 182 G HA3 0.766 4.726 3.960 0.000 0.000 0.293 182 G C -0.785 174.084 174.900 -0.051 0.000 1.421 182 G CA 0.338 45.402 45.100 -0.060 0.000 0.870 182 G HN 1.662 nan 8.290 nan 0.000 0.492 183 S N -0.461 115.233 115.700 -0.010 0.000 2.546 183 S HA 0.827 5.297 4.470 0.000 0.000 0.274 183 S C -1.019 173.616 174.600 0.059 0.000 1.121 183 S CA -0.785 57.403 58.200 -0.021 0.000 0.887 183 S CB 1.814 64.966 63.200 -0.080 0.000 1.094 183 S HN 0.717 nan 8.310 nan 0.000 0.474 184 I N 2.197 122.794 120.570 0.046 0.000 2.533 184 I HA 0.564 4.734 4.170 0.000 0.000 0.290 184 I C -0.575 175.598 176.117 0.093 0.000 1.056 184 I CA -0.601 60.767 61.300 0.115 0.000 1.057 184 I CB 2.612 40.671 38.000 0.099 0.000 1.240 184 I HN 0.953 nan 8.210 nan 0.000 0.423 185 T N 1.648 116.293 114.554 0.151 0.000 2.900 185 T HA 0.597 4.947 4.350 0.000 0.000 0.295 185 T C -1.374 173.527 174.700 0.335 0.000 1.044 185 T CA -0.802 61.429 62.100 0.217 0.000 0.995 185 T CB 2.220 71.191 68.868 0.173 0.000 1.072 185 T HN 0.427 nan 8.240 nan 0.000 0.473 186 Y N 1.047 121.479 120.300 0.220 0.000 2.373 186 Y HA 0.541 5.091 4.550 0.000 0.000 0.336 186 Y C -1.481 174.542 175.900 0.204 0.000 0.979 186 Y CA -1.299 56.910 58.100 0.183 0.000 1.080 186 Y CB 1.863 40.404 38.460 0.134 0.000 1.190 186 Y HN 0.804 nan 8.280 nan 0.000 0.446 187 D N 5.800 125.976 120.400 -0.373 0.000 2.481 187 D HA 0.114 4.754 4.640 0.000 0.000 0.246 187 D C -1.840 174.183 176.300 -0.461 0.000 1.109 187 D CA -0.226 53.587 54.000 -0.313 0.000 0.845 187 D CB 1.764 42.486 40.800 -0.131 0.000 1.160 187 D HN 0.515 nan 8.370 nan 0.000 0.534 188 Y N 2.958 122.976 120.300 -0.469 0.000 2.328 188 Y HA 0.151 4.701 4.550 0.000 0.000 0.333 188 Y C 0.937 176.815 175.900 -0.037 0.000 0.958 188 Y CA -0.308 57.631 58.100 -0.268 0.000 1.167 188 Y CB 0.459 38.812 38.460 -0.179 0.000 1.151 188 Y HN 0.543 nan 8.280 nan 0.000 0.470 189 E N 2.467 122.351 120.200 -0.527 0.000 3.211 189 E HA -0.350 4.000 4.350 0.000 0.000 0.393 189 E C 1.148 177.564 176.600 -0.307 0.000 1.515 189 E CA 1.440 57.586 56.400 -0.423 0.000 1.385 189 E CB -1.323 28.096 29.700 -0.468 0.000 1.616 189 E HN 0.834 nan 8.360 nan 0.000 0.489 190 G N 0.249 108.842 108.800 -0.344 0.000 2.551 190 G HA2 0.174 4.134 3.960 0.000 0.000 0.216 190 G HA3 0.174 4.134 3.960 0.000 0.000 0.216 190 G C 0.302 174.830 174.900 -0.620 0.000 1.137 190 G CA 0.094 44.811 45.100 -0.637 0.000 0.798 190 G HN 0.092 nan 8.290 nan 0.000 0.536 191 F N 0.484 120.325 119.950 -0.181 0.000 2.382 191 F HA 0.590 5.117 4.527 0.000 0.000 0.331 191 F C 0.848 176.533 175.800 -0.193 0.000 1.121 191 F CA -0.105 57.839 58.000 -0.095 0.000 1.183 191 F CB 1.702 40.733 39.000 0.051 0.000 1.207 191 F HN 0.053 nan 8.300 nan 0.000 0.555 192 G N 1.953 110.732 108.800 -0.036 0.000 2.682 192 G HA2 0.643 4.603 3.960 0.000 0.000 0.300 192 G HA3 0.643 4.603 3.960 0.000 0.000 0.300 192 G C -2.118 172.813 174.900 0.052 0.000 1.391 192 G CA -0.576 44.435 45.100 -0.148 0.000 0.990 192 G HN 0.719 nan 8.290 nan 0.000 0.501 193 I N 0.904 121.662 120.570 0.312 0.000 2.722 193 I HA 0.860 5.030 4.170 0.000 0.000 0.295 193 I C -0.161 176.245 176.117 0.481 0.000 1.161 193 I CA -0.639 60.898 61.300 0.394 0.000 1.032 193 I CB 2.317 40.481 38.000 0.273 0.000 1.244 193 I HN 0.879 nan 8.210 nan 0.000 0.421 194 G N 3.595 112.614 108.800 0.364 0.000 2.677 194 G HA2 0.716 4.676 3.960 0.000 0.000 0.291 194 G HA3 0.716 4.676 3.960 0.000 0.000 0.291 194 G C -1.589 173.338 174.900 0.045 0.000 1.435 194 G CA -0.432 44.746 45.100 0.129 0.000 0.826 194 G HN 0.934 nan 8.290 nan 0.000 0.491 195 G N -1.426 107.368 108.800 -0.010 0.000 2.718 195 G HA2 0.947 4.907 3.960 0.000 0.000 0.295 195 G HA3 0.947 4.907 3.960 0.000 0.000 0.295 195 G C -1.027 173.847 174.900 -0.043 0.000 1.421 195 G CA 0.332 45.432 45.100 -0.001 0.000 0.902 195 G HN 1.791 nan 8.290 nan 0.000 0.501 196 A N 0.575 123.368 122.820 -0.045 0.000 2.572 196 A HA 0.854 5.174 4.320 0.000 0.000 0.295 196 A C -1.523 176.013 177.584 -0.080 0.000 1.072 196 A CA -0.605 51.386 52.037 -0.077 0.000 0.691 196 A CB 1.719 20.640 19.000 -0.131 0.000 1.291 196 A HN 1.483 nan 8.150 nan 0.000 0.404 197 I N 1.286 121.785 120.570 -0.117 0.000 2.619 197 I HA 0.689 4.859 4.170 0.000 0.000 0.292 197 I C -0.503 175.487 176.117 -0.212 0.000 1.100 197 I CA -0.213 60.959 61.300 -0.214 0.000 1.043 197 I CB 2.195 40.092 38.000 -0.172 0.000 1.239 197 I HN 0.927 nan 8.210 nan 0.000 0.420 198 S N 4.213 119.749 115.700 -0.273 0.000 2.549 198 S HA 0.742 5.212 4.470 0.000 0.000 0.280 198 S C -0.963 173.510 174.600 -0.212 0.000 1.109 198 S CA -0.635 57.455 58.200 -0.184 0.000 0.905 198 S CB 1.938 65.069 63.200 -0.116 0.000 1.081 198 S HN 0.623 nan 8.310 nan 0.000 0.477 199 S N 1.263 116.882 115.700 -0.135 0.000 2.750 199 S HA 0.665 5.135 4.470 0.000 0.000 0.276 199 S C -1.381 173.169 174.600 -0.083 0.000 1.165 199 S CA -0.436 57.685 58.200 -0.131 0.000 1.047 199 S CB 0.833 63.972 63.200 -0.101 0.000 1.056 199 S HN 0.785 nan 8.310 nan 0.000 0.481 200 S N 3.695 119.310 115.700 -0.141 0.000 2.500 200 S HA 0.462 4.932 4.470 0.000 0.000 0.301 200 S C -0.584 173.941 174.600 -0.125 0.000 1.092 200 S CA -0.836 57.315 58.200 -0.083 0.000 1.030 200 S CB 1.614 64.797 63.200 -0.027 0.000 1.031 200 S HN 0.751 nan 8.310 nan 0.000 0.483 201 K N 1.791 122.168 120.400 -0.038 0.000 2.382 201 K HA 0.201 4.521 4.320 0.000 0.000 0.275 201 K C -0.198 176.384 176.600 -0.031 0.000 1.009 201 K CA 0.019 56.281 56.287 -0.042 0.000 0.970 201 K CB 0.483 32.980 32.500 -0.006 0.000 0.934 201 K HN 0.486 nan 8.250 nan 0.000 0.479 202 R N 1.255 121.712 120.500 -0.072 0.000 2.428 202 R HA 0.157 4.497 4.340 0.000 0.000 0.294 202 R C -0.079 176.202 176.300 -0.033 0.000 1.000 202 R CA -0.523 55.542 56.100 -0.058 0.000 0.960 202 R CB 1.550 31.745 30.300 -0.174 0.000 1.076 202 R HN 0.735 nan 8.270 nan 0.000 0.475 203 T N -1.747 112.793 114.554 -0.022 0.000 2.874 203 T HA 0.098 4.448 4.350 0.000 0.000 0.281 203 T C 0.639 175.340 174.700 0.002 0.000 0.994 203 T CA -0.843 61.250 62.100 -0.012 0.000 1.015 203 T CB 0.979 69.835 68.868 -0.020 0.000 1.028 203 T HN 0.384 nan 8.240 nan 0.000 0.523 204 D N 1.036 121.448 120.400 0.020 0.000 2.144 204 D HA -0.034 4.606 4.640 0.000 0.000 0.199 204 D C 2.317 178.670 176.300 0.088 0.000 0.984 204 D CA 1.594 55.624 54.000 0.050 0.000 0.834 204 D CB -0.746 40.085 40.800 0.053 0.000 0.955 204 D HN 0.765 nan 8.370 nan 0.000 0.465 205 A N 0.651 123.519 122.820 0.080 0.000 2.024 205 A HA -0.225 4.095 4.320 0.000 0.000 0.220 205 A C 2.040 179.755 177.584 0.217 0.000 1.164 205 A CA 1.335 53.455 52.037 0.138 0.000 0.643 205 A CB -0.475 18.560 19.000 0.058 0.000 0.806 205 A HN 0.262 nan 8.150 nan 0.000 0.451 206 Q N -0.594 119.279 119.800 0.122 0.000 2.269 206 Q HA 0.017 4.357 4.340 0.000 0.000 0.201 206 Q C 0.182 176.310 176.000 0.212 0.000 0.946 206 Q CA 0.532 56.399 55.803 0.106 0.000 0.877 206 Q CB 0.041 28.665 28.738 -0.190 0.000 0.963 206 Q HN 0.498 nan 8.270 nan 0.000 0.472 207 N N 1.761 120.554 118.700 0.154 0.000 2.575 207 N HA 0.032 4.772 4.740 0.000 0.000 0.275 207 N C -0.491 175.129 175.510 0.183 0.000 1.202 207 N CA 0.211 53.350 53.050 0.148 0.000 0.945 207 N CB 0.557 39.085 38.487 0.068 0.000 1.247 207 N HN 0.236 nan 8.380 nan 0.000 0.510 208 T N -4.365 110.349 114.554 0.267 0.000 2.948 208 T HA 0.571 4.921 4.350 0.000 0.000 0.285 208 T C 1.397 176.195 174.700 0.163 0.000 1.019 208 T CA -0.722 61.492 62.100 0.189 0.000 1.013 208 T CB 1.885 70.856 68.868 0.172 0.000 1.117 208 T HN -0.009 nan 8.240 nan 0.000 0.533 209 A N 0.349 123.221 122.820 0.088 0.000 2.125 209 A HA 0.278 4.598 4.320 0.000 0.000 0.219 209 A C 2.417 180.007 177.584 0.010 0.000 1.156 209 A CA 1.384 53.457 52.037 0.060 0.000 0.671 209 A CB -1.391 17.630 19.000 0.036 0.000 0.794 209 A HN 1.237 nan 8.150 nan 0.000 0.459 210 A N -1.794 120.975 122.820 -0.086 0.000 2.172 210 A HA 0.233 4.553 4.320 0.000 0.000 0.216 210 A C 0.245 177.573 177.584 -0.426 0.000 1.154 210 A CA 0.573 52.431 52.037 -0.298 0.000 0.701 210 A CB -0.306 18.408 19.000 -0.476 0.000 0.789 210 A HN 0.466 nan 8.150 nan 0.000 0.465 211 Y N -0.409 119.978 120.300 0.145 0.000 2.391 211 Y HA 0.513 5.063 4.550 0.000 0.000 0.341 211 Y C 0.330 176.360 175.900 0.218 0.000 0.965 211 Y CA -1.918 56.291 58.100 0.182 0.000 1.067 211 Y CB 0.936 39.581 38.460 0.308 0.000 1.199 211 Y HN 0.262 nan 8.280 nan 0.000 0.450 212 I N -0.171 120.618 120.570 0.366 0.000 2.882 212 I HA 0.617 4.787 4.170 0.000 0.000 0.286 212 I C 1.030 177.386 176.117 0.399 0.000 1.139 212 I CA -0.016 61.480 61.300 0.327 0.000 1.379 212 I CB 0.477 38.664 38.000 0.311 0.000 1.410 212 I HN 0.842 nan 8.210 nan 0.000 0.594 213 G N 3.069 112.058 108.800 0.316 0.000 2.248 213 G HA2 -0.255 3.705 3.960 0.000 0.000 0.252 213 G HA3 -0.255 3.705 3.960 0.000 0.000 0.252 213 G C -0.216 174.827 174.900 0.239 0.000 1.085 213 G CA -0.092 45.189 45.100 0.301 0.000 0.845 213 G HN 0.930 nan 8.290 nan 0.000 0.494 214 N N 0.225 119.042 118.700 0.195 0.000 2.454 214 N HA 0.482 5.222 4.740 0.000 0.000 0.254 214 N C 0.593 176.139 175.510 0.060 0.000 1.228 214 N CA 0.969 54.093 53.050 0.125 0.000 0.900 214 N CB 0.815 39.375 38.487 0.122 0.000 1.089 214 N HN 0.843 nan 8.380 nan 0.000 0.449 215 G N 0.201 109.003 108.800 0.003 0.000 2.519 215 G HA2 -0.035 3.925 3.960 0.000 0.000 0.292 215 G HA3 -0.035 3.925 3.960 0.000 0.000 0.292 215 G C -0.107 174.758 174.900 -0.059 0.000 1.507 215 G CA -0.505 44.582 45.100 -0.022 0.000 0.806 215 G HN 0.471 nan 8.290 nan 0.000 0.523 216 D N -0.450 119.920 120.400 -0.049 0.000 2.117 216 D HA -0.002 4.638 4.640 0.000 0.000 0.198 216 D C 0.647 176.892 176.300 -0.092 0.000 0.982 216 D CA 0.978 54.945 54.000 -0.054 0.000 0.828 216 D CB 0.339 41.117 40.800 -0.038 0.000 0.967 216 D HN 0.400 nan 8.370 nan 0.000 0.464 217 R N -1.052 119.376 120.500 -0.120 0.000 2.771 217 R HA 0.642 4.982 4.340 0.000 0.000 0.274 217 R C -1.015 175.129 176.300 -0.259 0.000 0.987 217 R CA -0.794 55.200 56.100 -0.177 0.000 0.908 217 R CB 2.269 32.493 30.300 -0.125 0.000 1.213 217 R HN -0.128 nan 8.270 nan 0.000 0.468 218 A N 1.883 124.436 122.820 -0.445 0.000 2.260 218 A HA 0.511 4.831 4.320 0.000 0.000 0.314 218 A C -0.835 176.538 177.584 -0.351 0.000 1.257 218 A CA -0.445 51.245 52.037 -0.578 0.000 0.871 218 A CB 0.628 18.754 19.000 -1.457 0.000 1.166 218 A HN 0.686 nan 8.150 nan 0.000 0.522 219 E N 0.707 120.822 120.200 -0.142 0.000 2.256 219 E HA 0.657 5.007 4.350 0.000 0.000 0.267 219 E C -0.427 176.143 176.600 -0.050 0.000 0.892 219 E CA -0.558 55.779 56.400 -0.104 0.000 0.775 219 E CB 2.256 31.963 29.700 0.012 0.000 1.207 219 E HN 0.686 nan 8.360 nan 0.000 0.420 220 T N -0.703 113.690 114.554 -0.268 0.000 2.912 220 T HA 0.648 4.998 4.350 0.000 0.000 0.299 220 T C -1.417 173.023 174.700 -0.434 0.000 1.052 220 T CA -0.720 61.268 62.100 -0.186 0.000 0.996 220 T CB 0.499 69.299 68.868 -0.114 0.000 1.070 220 T HN 0.370 nan 8.240 nan 0.000 0.465 221 Y N 0.778 121.084 120.300 0.009 0.000 2.346 221 Y HA 0.604 5.154 4.550 0.000 0.000 0.332 221 Y C 0.258 176.144 175.900 -0.024 0.000 0.985 221 Y CA -0.836 57.272 58.100 0.013 0.000 1.112 221 Y CB 2.756 41.257 38.460 0.068 0.000 1.170 221 Y HN 0.784 nan 8.280 nan 0.000 0.447 222 T N 2.150 116.759 114.554 0.091 0.000 2.886 222 T HA 0.710 5.060 4.350 0.000 0.000 0.292 222 T C -0.127 174.619 174.700 0.076 0.000 1.012 222 T CA -0.926 61.195 62.100 0.035 0.000 0.982 222 T CB 1.748 70.583 68.868 -0.055 0.000 1.018 222 T HN 0.853 nan 8.240 nan 0.000 0.451 223 G N 0.380 109.258 108.800 0.130 0.000 2.482 223 G HA2 0.747 4.707 3.960 0.000 0.000 0.317 223 G HA3 0.747 4.707 3.960 0.000 0.000 0.317 223 G C -0.672 174.326 174.900 0.163 0.000 1.241 223 G CA -0.856 44.334 45.100 0.150 0.000 0.967 223 G HN 0.946 nan 8.290 nan 0.000 0.482 224 G N -0.467 108.442 108.800 0.182 0.000 2.696 224 G HA2 0.650 4.610 3.960 0.000 0.000 0.295 224 G HA3 0.650 4.610 3.960 0.000 0.000 0.295 224 G C -1.444 173.717 174.900 0.434 0.000 1.398 224 G CA -0.661 44.611 45.100 0.288 0.000 0.920 224 G HN 0.664 nan 8.290 nan 0.000 0.492 225 L N 0.296 121.744 121.223 0.375 0.000 2.409 225 L HA 0.733 5.073 4.340 0.000 0.000 0.262 225 L C -0.406 176.461 176.870 -0.006 0.000 0.992 225 L CA -0.938 54.030 54.840 0.214 0.000 0.817 225 L CB 2.924 45.076 42.059 0.156 0.000 1.350 225 L HN 0.566 nan 8.230 nan 0.000 0.411 226 K N 1.594 121.840 120.400 -0.256 0.000 2.523 226 K HA 0.467 4.787 4.320 0.000 0.000 0.257 226 K C -2.233 174.148 176.600 -0.365 0.000 0.932 226 K CA -0.639 55.325 56.287 -0.538 0.000 0.812 226 K CB 2.747 34.530 32.500 -1.194 0.000 1.326 226 K HN 0.488 nan 8.250 nan 0.000 0.433 227 Y N 2.278 122.227 120.300 -0.585 0.000 2.373 227 Y HA 0.386 4.936 4.550 0.000 0.000 0.336 227 Y C -1.636 173.901 175.900 -0.604 0.000 0.979 227 Y CA -0.657 57.094 58.100 -0.582 0.000 1.080 227 Y CB 1.807 39.970 38.460 -0.495 0.000 1.190 227 Y HN 0.658 nan 8.280 nan 0.000 0.446 228 D N 5.084 124.787 120.400 -1.162 0.000 2.364 228 D HA 0.651 5.291 4.640 0.000 0.000 0.251 228 D C -1.549 174.271 176.300 -0.800 0.000 1.282 228 D CA 0.173 53.738 54.000 -0.724 0.000 0.927 228 D CB 0.543 41.118 40.800 -0.373 0.000 1.267 228 D HN 0.825 nan 8.370 nan 0.000 0.531 229 A N 2.208 124.521 122.820 -0.846 0.000 2.586 229 A HA 0.593 4.913 4.320 0.000 0.000 0.290 229 A C -0.318 177.118 177.584 -0.246 0.000 1.086 229 A CA -0.747 50.971 52.037 -0.531 0.000 0.665 229 A CB 0.669 19.310 19.000 -0.598 0.000 1.279 229 A HN 0.192 nan 8.150 nan 0.000 0.423 230 N N 1.376 119.984 118.700 -0.154 0.000 2.721 230 N HA -0.186 4.554 4.740 0.000 0.000 0.249 230 N C 0.145 175.588 175.510 -0.111 0.000 1.072 230 N CA 1.482 54.489 53.050 -0.072 0.000 0.710 230 N CB -1.235 37.269 38.487 0.028 0.000 0.993 230 N HN 0.828 nan 8.380 nan 0.000 0.547 231 N N -2.339 116.227 118.700 -0.223 0.000 2.753 231 N HA -0.225 4.515 4.740 0.000 0.000 0.251 231 N C -0.568 174.690 175.510 -0.420 0.000 1.097 231 N CA 1.340 54.142 53.050 -0.413 0.000 0.786 231 N CB -1.184 36.919 38.487 -0.641 0.000 1.137 231 N HN 0.640 nan 8.380 nan 0.000 0.566 232 I N 0.337 120.830 120.570 -0.128 0.000 2.433 232 I HA 0.306 4.476 4.170 0.000 0.000 0.292 232 I C -0.441 175.705 176.117 0.048 0.000 1.001 232 I CA -0.870 60.462 61.300 0.053 0.000 1.119 232 I CB 1.585 39.706 38.000 0.201 0.000 1.289 232 I HN -0.045 nan 8.210 nan 0.000 0.438 233 Y N 7.090 127.358 120.300 -0.053 0.000 2.331 233 Y HA 0.693 5.243 4.550 0.000 0.000 0.334 233 Y C -1.483 174.408 175.900 -0.015 0.000 0.960 233 Y CA -0.625 57.424 58.100 -0.084 0.000 1.130 233 Y CB 1.173 39.559 38.460 -0.123 0.000 1.164 233 Y HN 0.358 nan 8.280 nan 0.000 0.458 234 L N 5.827 126.792 121.223 -0.429 0.000 2.386 234 L HA 0.977 5.317 4.340 0.000 0.000 0.271 234 L C -0.871 175.721 176.870 -0.464 0.000 0.993 234 L CA -0.999 53.683 54.840 -0.263 0.000 0.819 234 L CB 1.985 43.986 42.059 -0.097 0.000 1.294 234 L HN 0.750 nan 8.230 nan 0.000 0.414 235 A N 2.440 125.122 122.820 -0.230 0.000 2.594 235 A HA 0.969 5.289 4.320 0.000 0.000 0.295 235 A C -1.597 175.979 177.584 -0.013 0.000 1.071 235 A CA -0.278 51.670 52.037 -0.149 0.000 0.685 235 A CB 2.049 20.972 19.000 -0.128 0.000 1.285 235 A HN 0.821 nan 8.150 nan 0.000 0.405 236 A N 0.803 123.645 122.820 0.037 0.000 2.549 236 A HA 0.820 5.140 4.320 0.000 0.000 0.297 236 A C -1.013 176.617 177.584 0.077 0.000 1.061 236 A CA -0.337 51.699 52.037 -0.002 0.000 0.690 236 A CB 1.680 20.731 19.000 0.086 0.000 1.287 236 A HN 1.931 nan 8.150 nan 0.000 0.402 237 Q N 0.261 120.050 119.800 -0.019 0.000 2.359 237 Q HA 0.716 5.056 4.340 0.000 0.000 0.274 237 Q C -1.708 174.400 176.000 0.181 0.000 1.074 237 Q CA -0.637 55.223 55.803 0.095 0.000 0.810 237 Q CB 1.762 30.528 28.738 0.047 0.000 1.342 237 Q HN 0.922 nan 8.270 nan 0.000 0.427 238 Y N 0.873 121.266 120.300 0.155 0.000 2.391 238 Y HA 0.737 5.287 4.550 0.000 0.000 0.341 238 Y C -1.415 174.571 175.900 0.143 0.000 0.965 238 Y CA -0.424 57.809 58.100 0.222 0.000 1.067 238 Y CB 2.541 41.168 38.460 0.279 0.000 1.199 238 Y HN 0.844 nan 8.280 nan 0.000 0.450 239 T N 6.221 120.419 114.554 -0.593 0.000 2.881 239 T HA 0.303 4.653 4.350 0.000 0.000 0.290 239 T C -1.357 172.992 174.700 -0.584 0.000 1.000 239 T CA -0.675 61.177 62.100 -0.414 0.000 0.978 239 T CB 1.537 70.308 68.868 -0.162 0.000 0.997 239 T HN 0.650 nan 8.240 nan 0.000 0.443 240 Q N 2.035 121.648 119.800 -0.312 0.000 2.322 240 Q HA 0.642 4.982 4.340 0.000 0.000 0.265 240 Q C -0.510 175.431 176.000 -0.099 0.000 0.985 240 Q CA -0.632 55.045 55.803 -0.209 0.000 0.849 240 Q CB 1.094 29.807 28.738 -0.042 0.000 1.274 240 Q HN 0.818 nan 8.270 nan 0.000 0.449 241 T N 0.029 114.419 114.554 -0.273 0.000 2.907 241 T HA 0.608 4.958 4.350 0.000 0.000 0.292 241 T C -1.163 173.242 174.700 -0.491 0.000 1.043 241 T CA -0.555 61.429 62.100 -0.194 0.000 1.003 241 T CB 0.885 69.715 68.868 -0.062 0.000 1.084 241 T HN 0.430 nan 8.240 nan 0.000 0.483 242 Y N 1.107 121.434 120.300 0.044 0.000 2.329 242 Y HA 0.425 4.975 4.550 0.000 0.000 0.328 242 Y C 0.557 176.429 175.900 -0.046 0.000 0.992 242 Y CA -1.086 57.029 58.100 0.025 0.000 1.151 242 Y CB 1.340 39.823 38.460 0.040 0.000 1.150 242 Y HN 0.808 nan 8.280 nan 0.000 0.450 243 N N 1.268 120.026 118.700 0.097 0.000 2.721 243 N HA -0.246 4.494 4.740 0.000 0.000 0.249 243 N C 0.378 175.812 175.510 -0.127 0.000 1.072 243 N CA 1.077 54.134 53.050 0.012 0.000 0.710 243 N CB -0.830 37.612 38.487 -0.076 0.000 0.993 243 N HN 0.806 nan 8.380 nan 0.000 0.547 244 A N -1.469 121.382 122.820 0.052 0.000 2.140 244 A HA 0.177 4.497 4.320 0.000 0.000 0.199 244 A C 0.790 178.662 177.584 0.479 0.000 1.416 244 A CA 0.500 52.615 52.037 0.129 0.000 1.018 244 A CB 0.485 19.473 19.000 -0.020 0.000 1.117 244 A HN 0.168 nan 8.150 nan 0.000 0.480 245 T N 2.167 116.942 114.554 0.368 0.000 2.749 245 T HA 0.396 4.746 4.350 0.000 0.000 0.295 245 T C 0.092 174.974 174.700 0.303 0.000 0.936 245 T CA -0.245 62.038 62.100 0.305 0.000 1.060 245 T CB 0.608 69.576 68.868 0.167 0.000 0.904 245 T HN 0.341 nan 8.240 nan 0.000 0.500 246 R N 1.773 122.365 120.500 0.153 0.000 2.590 246 R HA 0.314 4.654 4.340 0.000 0.000 0.274 246 R C -0.330 175.923 176.300 -0.078 0.000 1.061 246 R CA -0.288 55.722 56.100 -0.149 0.000 1.081 246 R CB 0.432 30.586 30.300 -0.243 0.000 0.984 246 R HN 0.363 nan 8.270 nan 0.000 0.448 247 V N 3.942 123.778 119.914 -0.130 0.000 2.204 247 V HA 0.259 4.379 4.120 0.000 0.000 0.264 247 V C 1.129 177.118 176.094 -0.175 0.000 1.106 247 V CA 0.231 62.490 62.300 -0.069 0.000 0.947 247 V CB -0.103 31.746 31.823 0.044 0.000 1.164 247 V HN 1.144 nan 8.190 nan 0.000 0.461 248 G N 4.258 112.948 108.800 -0.182 0.000 2.634 248 G HA2 -0.365 3.595 3.960 0.000 0.000 0.309 248 G HA3 -0.365 3.595 3.960 0.000 0.000 0.309 248 G C 1.186 175.960 174.900 -0.210 0.000 1.265 248 G CA 0.860 45.840 45.100 -0.199 0.000 0.998 248 G HN 1.280 nan 8.290 nan 0.000 0.551 249 S N 0.001 115.595 115.700 -0.177 0.000 2.593 249 S HA 0.337 4.807 4.470 0.000 0.000 0.217 249 S C 2.297 176.849 174.600 -0.080 0.000 0.966 249 S CA 1.073 59.193 58.200 -0.133 0.000 0.914 249 S CB 0.112 63.256 63.200 -0.093 0.000 0.776 249 S HN 0.606 nan 8.310 nan 0.000 0.523 250 L N 0.968 122.133 121.223 -0.097 0.000 2.291 250 L HA 0.254 4.594 4.340 0.000 0.000 0.214 250 L C 1.756 178.682 176.870 0.093 0.000 1.120 250 L CA 0.756 55.598 54.840 0.003 0.000 0.799 250 L CB -0.904 41.150 42.059 -0.007 0.000 0.925 250 L HN 0.709 nan 8.230 nan 0.000 0.446 251 G N -1.837 106.887 108.800 -0.127 0.000 2.250 251 G HA2 -0.124 3.836 3.960 0.000 0.000 0.189 251 G HA3 -0.124 3.836 3.960 0.000 0.000 0.189 251 G C -1.585 173.017 174.900 -0.498 0.000 1.298 251 G CA -0.654 44.246 45.100 -0.333 0.000 1.246 251 G HN -0.011 nan 8.290 nan 0.000 0.513 252 W N 0.546 121.919 121.300 0.121 0.000 2.902 252 W HA 0.717 5.377 4.660 0.000 0.000 0.346 252 W C 0.290 176.881 176.519 0.120 0.000 1.139 252 W CA -0.349 57.064 57.345 0.113 0.000 1.139 252 W CB 2.087 31.623 29.460 0.126 0.000 1.439 252 W HN 1.022 nan 8.180 nan 0.000 0.558 253 A N 1.894 124.914 122.820 0.333 0.000 2.320 253 A HA 0.192 4.512 4.320 0.000 0.000 0.287 253 A C 0.963 178.660 177.584 0.188 0.000 1.181 253 A CA -0.294 51.871 52.037 0.213 0.000 0.831 253 A CB 0.322 19.406 19.000 0.140 0.000 1.102 253 A HN 0.667 nan 8.150 nan 0.000 0.513 254 N N 1.077 119.876 118.700 0.165 0.000 2.036 254 N HA -0.104 4.636 4.740 0.000 0.000 0.195 254 N C 0.150 175.729 175.510 0.115 0.000 1.037 254 N CA 1.465 54.603 53.050 0.148 0.000 0.855 254 N CB -0.085 38.484 38.487 0.138 0.000 1.033 254 N HN 0.687 nan 8.380 nan 0.000 0.423 255 K N -0.684 119.742 120.400 0.044 0.000 2.464 255 K HA 0.669 4.989 4.320 0.000 0.000 0.253 255 K C -1.392 175.155 176.600 -0.087 0.000 0.933 255 K CA -0.626 55.592 56.287 -0.114 0.000 0.801 255 K CB 2.863 35.297 32.500 -0.110 0.000 1.271 255 K HN 0.016 nan 8.250 nan 0.000 0.430 256 A N 2.144 124.871 122.820 -0.155 0.000 2.475 256 A HA 0.504 4.824 4.320 0.000 0.000 0.301 256 A C -1.519 175.999 177.584 -0.110 0.000 1.059 256 A CA -0.716 51.276 52.037 -0.074 0.000 0.710 256 A CB 1.582 20.574 19.000 -0.014 0.000 1.288 256 A HN 0.661 nan 8.150 nan 0.000 0.408 257 Q N 1.573 121.352 119.800 -0.035 0.000 2.339 257 Q HA 0.370 4.710 4.340 0.000 0.000 0.268 257 Q C -1.243 174.771 176.000 0.023 0.000 1.027 257 Q CA -0.758 55.030 55.803 -0.025 0.000 0.759 257 Q CB 1.736 30.569 28.738 0.159 0.000 1.244 257 Q HN 0.692 nan 8.270 nan 0.000 0.464 258 N N 2.227 120.872 118.700 -0.091 0.000 2.399 258 N HA 0.517 5.257 4.740 0.000 0.000 0.295 258 N C -1.480 174.131 175.510 0.168 0.000 1.048 258 N CA -0.284 52.784 53.050 0.030 0.000 0.886 258 N CB 1.425 39.917 38.487 0.008 0.000 1.185 258 N HN 0.448 nan 8.380 nan 0.000 0.487 259 F N 0.616 120.618 119.950 0.087 0.000 2.561 259 F HA 0.409 4.936 4.527 0.000 0.000 0.313 259 F C -0.972 174.861 175.800 0.055 0.000 1.126 259 F CA -0.604 57.497 58.000 0.168 0.000 0.918 259 F CB 1.563 40.722 39.000 0.264 0.000 1.199 259 F HN 0.355 nan 8.300 nan 0.000 0.444 260 E N 4.389 124.141 120.200 -0.747 0.000 2.292 260 E HA 0.770 5.120 4.350 0.000 0.000 0.272 260 E C -1.560 174.574 176.600 -0.778 0.000 0.881 260 E CA -1.333 54.707 56.400 -0.600 0.000 0.754 260 E CB 2.242 31.798 29.700 -0.239 0.000 1.201 260 E HN 0.722 nan 8.360 nan 0.000 0.425 261 A N 1.862 124.415 122.820 -0.444 0.000 2.449 261 A HA 0.727 5.047 4.320 0.000 0.000 0.302 261 A C -1.480 176.096 177.584 -0.014 0.000 1.048 261 A CA -0.708 51.215 52.037 -0.189 0.000 0.708 261 A CB 2.032 21.023 19.000 -0.015 0.000 1.274 261 A HN 0.352 nan 8.150 nan 0.000 0.410 262 V N 0.860 120.796 119.914 0.037 0.000 2.841 262 V HA 0.888 5.008 4.120 0.000 0.000 0.310 262 V C -0.638 175.519 176.094 0.106 0.000 1.090 262 V CA 0.136 62.492 62.300 0.094 0.000 0.930 262 V CB 1.885 33.791 31.823 0.138 0.000 1.014 262 V HN 2.032 nan 8.190 nan 0.000 0.425 263 A N 5.644 128.534 122.820 0.118 0.000 2.359 263 A HA 0.913 5.233 4.320 0.000 0.000 0.303 263 A C -0.916 176.751 177.584 0.139 0.000 1.066 263 A CA -0.599 51.507 52.037 0.115 0.000 0.730 263 A CB 1.690 20.742 19.000 0.085 0.000 1.211 263 A HN 0.848 nan 8.150 nan 0.000 0.439 264 Q N 0.469 120.367 119.800 0.164 0.000 2.389 264 Q HA 0.535 4.875 4.340 0.000 0.000 0.277 264 Q C -2.037 174.050 176.000 0.144 0.000 1.082 264 Q CA -0.639 55.251 55.803 0.144 0.000 0.810 264 Q CB 3.024 31.833 28.738 0.118 0.000 1.374 264 Q HN 0.744 nan 8.270 nan 0.000 0.422 265 Y N 0.869 121.129 120.300 -0.066 0.000 2.477 265 Y HA 0.341 4.891 4.550 0.000 0.000 0.347 265 Y C -1.277 174.467 175.900 -0.260 0.000 0.981 265 Y CA -0.696 57.287 58.100 -0.194 0.000 1.033 265 Y CB 2.235 40.507 38.460 -0.314 0.000 1.245 265 Y HN 0.553 nan 8.280 nan 0.000 0.455 266 Q N 4.934 124.231 119.800 -0.839 0.000 2.400 266 Q HA 0.406 4.746 4.340 0.000 0.000 0.255 266 Q C -1.868 173.712 176.000 -0.700 0.000 1.008 266 Q CA -0.308 55.148 55.803 -0.579 0.000 0.841 266 Q CB 0.245 28.723 28.738 -0.433 0.000 1.220 266 Q HN 0.550 nan 8.270 nan 0.000 0.474 267 F N 2.013 121.800 119.950 -0.272 0.000 2.450 267 F HA 0.068 4.595 4.527 0.000 0.000 0.339 267 F C 1.517 177.151 175.800 -0.277 0.000 1.146 267 F CA 0.070 57.937 58.000 -0.221 0.000 1.267 267 F CB 0.671 39.386 39.000 -0.475 0.000 1.178 267 F HN 0.696 nan 8.300 nan 0.000 0.585 268 D N 1.479 121.955 120.400 0.127 0.000 2.144 268 D HA -0.277 4.363 4.640 0.000 0.000 0.199 268 D C 1.529 177.894 176.300 0.109 0.000 0.984 268 D CA 1.462 55.517 54.000 0.091 0.000 0.834 268 D CB -1.171 39.727 40.800 0.164 0.000 0.955 268 D HN 0.537 nan 8.370 nan 0.000 0.465 269 F N -1.340 118.709 119.950 0.165 0.000 2.811 269 F HA 0.493 5.020 4.527 0.000 0.000 0.301 269 F C 1.603 177.500 175.800 0.163 0.000 1.151 269 F CA 0.141 58.230 58.000 0.149 0.000 1.412 269 F CB 0.223 39.306 39.000 0.138 0.000 1.113 269 F HN 0.157 nan 8.300 nan 0.000 0.579 270 G N 0.604 109.225 108.800 -0.299 0.000 2.229 270 G HA2 -0.200 3.760 3.960 0.000 0.000 0.189 270 G HA3 -0.200 3.760 3.960 0.000 0.000 0.189 270 G C -0.398 174.319 174.900 -0.305 0.000 1.000 270 G CA -0.165 44.731 45.100 -0.340 0.000 0.663 270 G HN 0.411 nan 8.290 nan 0.000 0.493 271 L N 1.551 122.582 121.223 -0.321 0.000 2.331 271 L HA 0.777 5.117 4.340 0.000 0.000 0.278 271 L C 0.611 177.553 176.870 0.120 0.000 1.106 271 L CA -0.413 54.430 54.840 0.006 0.000 0.824 271 L CB 0.920 42.993 42.059 0.023 0.000 1.142 271 L HN 0.216 nan 8.230 nan 0.000 0.443 272 R N 6.713 127.305 120.500 0.153 0.000 2.513 272 R HA 0.437 4.777 4.340 0.000 0.000 0.283 272 R C -2.663 173.729 176.300 0.154 0.000 1.535 272 R CA -1.653 54.528 56.100 0.136 0.000 1.315 272 R CB 1.010 31.408 30.300 0.163 0.000 1.163 272 R HN 0.464 nan 8.270 nan 0.000 0.573 273 P HA 0.086 nan 4.420 nan 0.000 0.274 273 P C -0.931 176.457 177.300 0.147 0.000 1.231 273 P CA -0.212 63.002 63.100 0.189 0.000 0.790 273 P CB 1.745 33.591 31.700 0.243 0.000 0.951 274 S N 1.410 117.193 115.700 0.138 0.000 2.548 274 S HA 0.629 5.099 4.470 0.000 0.000 0.276 274 S C -1.609 173.071 174.600 0.134 0.000 1.129 274 S CA -0.628 57.647 58.200 0.124 0.000 0.931 274 S CB 0.503 63.764 63.200 0.103 0.000 1.068 274 S HN 0.338 nan 8.310 nan 0.000 0.480 275 L N 4.154 125.453 121.223 0.127 0.000 2.410 275 L HA 0.982 5.322 4.340 0.000 0.000 0.270 275 L C -0.649 176.295 176.870 0.124 0.000 0.983 275 L CA 0.037 54.953 54.840 0.127 0.000 0.822 275 L CB 1.583 43.710 42.059 0.113 0.000 1.285 275 L HN 0.924 nan 8.230 nan 0.000 0.409 276 A N 3.611 126.510 122.820 0.130 0.000 2.587 276 A HA 0.740 5.060 4.320 0.000 0.000 0.293 276 A C -2.299 175.366 177.584 0.134 0.000 1.087 276 A CA -0.457 51.646 52.037 0.110 0.000 0.692 276 A CB 1.358 20.404 19.000 0.076 0.000 1.291 276 A HN 0.706 nan 8.150 nan 0.000 0.407 277 Y N 0.834 121.103 120.300 -0.052 0.000 2.386 277 Y HA 0.697 5.247 4.550 0.000 0.000 0.334 277 Y C -1.922 173.876 175.900 -0.170 0.000 1.002 277 Y CA -1.055 56.996 58.100 -0.082 0.000 1.068 277 Y CB 1.510 39.999 38.460 0.048 0.000 1.203 277 Y HN 0.596 nan 8.280 nan 0.000 0.443 278 L N 5.841 126.449 121.223 -1.027 0.000 2.381 278 L HA 0.644 4.984 4.340 0.000 0.000 0.268 278 L C -1.215 175.110 176.870 -0.909 0.000 0.997 278 L CA -0.573 53.755 54.840 -0.852 0.000 0.818 278 L CB 2.337 43.909 42.059 -0.813 0.000 1.310 278 L HN 0.724 nan 8.230 nan 0.000 0.416 279 Q N 0.521 120.057 119.800 -0.441 0.000 2.391 279 Q HA 0.786 5.126 4.340 0.000 0.000 0.279 279 Q C -1.304 174.684 176.000 -0.020 0.000 1.028 279 Q CA -0.812 54.871 55.803 -0.201 0.000 0.836 279 Q CB 2.201 30.897 28.738 -0.069 0.000 1.414 279 Q HN 0.402 nan 8.270 nan 0.000 0.397 280 S N 1.254 116.960 115.700 0.010 0.000 2.707 280 S HA 0.448 4.918 4.470 0.000 0.000 0.303 280 S C -1.416 173.216 174.600 0.053 0.000 1.132 280 S CA -0.677 57.549 58.200 0.043 0.000 1.046 280 S CB 0.703 63.926 63.200 0.038 0.000 1.004 280 S HN 0.506 nan 8.310 nan 0.000 0.483 281 K N 3.275 123.709 120.400 0.058 0.000 2.339 281 K HA 0.464 4.784 4.320 0.000 0.000 0.264 281 K C 0.289 176.902 176.600 0.021 0.000 0.986 281 K CA -0.664 55.648 56.287 0.041 0.000 0.866 281 K CB 1.657 34.191 32.500 0.056 0.000 1.103 281 K HN 0.664 nan 8.250 nan 0.000 0.441 282 G N 2.810 111.610 108.800 -0.000 0.000 2.400 282 G HA2 0.385 4.345 3.960 0.000 0.000 0.301 282 G HA3 0.385 4.345 3.960 0.000 0.000 0.301 282 G C -0.688 174.199 174.900 -0.021 0.000 1.154 282 G CA -0.565 44.532 45.100 -0.004 0.000 0.852 282 G HN 0.467 nan 8.290 nan 0.000 0.511 283 K N 0.898 121.299 120.400 0.003 0.000 2.464 283 K HA 0.361 4.681 4.320 0.000 0.000 0.253 283 K C -0.376 176.247 176.600 0.038 0.000 0.933 283 K CA -1.215 55.078 56.287 0.012 0.000 0.801 283 K CB 1.844 34.355 32.500 0.019 0.000 1.271 283 K HN 0.428 nan 8.250 nan 0.000 0.430 284 N N 1.255 119.979 118.700 0.041 0.000 2.727 284 N HA -0.172 4.568 4.740 0.000 0.000 0.249 284 N C -0.024 175.539 175.510 0.089 0.000 1.048 284 N CA 0.168 53.255 53.050 0.061 0.000 0.714 284 N CB -0.743 37.784 38.487 0.067 0.000 0.959 284 N HN 0.636 nan 8.380 nan 0.000 0.544 285 L N -0.400 120.883 121.223 0.101 0.000 2.201 285 L HA 0.220 4.560 4.340 0.000 0.000 0.212 285 L C 1.908 178.906 176.870 0.213 0.000 1.105 285 L CA 1.785 56.724 54.840 0.166 0.000 0.775 285 L CB -1.164 41.002 42.059 0.178 0.000 0.913 285 L HN 0.682 nan 8.230 nan 0.000 0.440 286 G N -1.073 107.823 108.800 0.160 0.000 2.707 286 G HA2 -0.223 3.737 3.960 0.000 0.000 0.686 286 G HA3 -0.223 3.737 3.960 0.000 0.000 0.686 286 G C 0.224 175.159 174.900 0.057 0.000 1.315 286 G CA -0.369 44.801 45.100 0.116 0.000 0.832 286 G HN 0.217 nan 8.290 nan 0.000 0.573 287 R N -1.015 119.457 120.500 -0.046 0.000 3.758 287 R HA -0.174 4.166 4.340 0.000 0.000 0.299 287 R C 1.774 177.846 176.300 -0.380 0.000 1.182 287 R CA 2.111 58.076 56.100 -0.225 0.000 0.809 287 R CB -1.712 28.400 30.300 -0.313 0.000 1.249 287 R HN 2.801 nan 8.270 nan 0.000 0.497 288 G N -1.461 107.223 108.800 -0.194 0.000 2.179 288 G HA2 -0.403 3.557 3.960 0.000 0.000 0.260 288 G HA3 -0.403 3.557 3.960 0.000 0.000 0.260 288 G C 0.468 175.312 174.900 -0.093 0.000 0.977 288 G CA 0.595 45.609 45.100 -0.143 0.000 0.641 288 G HN 0.370 nan 8.290 nan 0.000 0.533 289 Y N 0.802 121.116 120.300 0.025 0.000 2.293 289 Y HA 0.120 4.670 4.550 0.000 0.000 0.291 289 Y C 2.089 177.930 175.900 -0.099 0.000 1.137 289 Y CA 0.527 58.611 58.100 -0.028 0.000 1.202 289 Y CB -0.217 38.242 38.460 -0.002 0.000 0.990 289 Y HN 0.399 nan 8.280 nan 0.000 0.537 290 D N -0.808 119.644 120.400 0.087 0.000 3.685 290 D HA -0.264 4.376 4.640 0.000 0.000 0.152 290 D C -0.600 175.687 176.300 -0.021 0.000 0.966 290 D CA 1.626 55.642 54.000 0.026 0.000 1.085 290 D CB -1.094 39.713 40.800 0.011 0.000 0.521 290 D HN 0.165 nan 8.370 nan 0.000 0.543 291 D N 2.167 122.539 120.400 -0.045 0.000 2.249 291 D HA 0.522 5.162 4.640 0.000 0.000 0.246 291 D C -0.092 176.115 176.300 -0.155 0.000 1.114 291 D CA 0.233 54.187 54.000 -0.076 0.000 0.854 291 D CB 0.793 41.571 40.800 -0.036 0.000 1.132 291 D HN 0.091 nan 8.370 nan 0.000 0.461 292 E N 1.303 121.356 120.200 -0.245 0.000 2.356 292 E HA 0.220 4.570 4.350 0.000 0.000 0.275 292 E C -1.119 175.360 176.600 -0.202 0.000 0.904 292 E CA -0.805 55.370 56.400 -0.376 0.000 0.757 292 E CB 1.882 30.924 29.700 -1.096 0.000 1.232 292 E HN 0.247 nan 8.360 nan 0.000 0.442 293 D N 2.154 122.509 120.400 -0.075 0.000 2.371 293 D HA 0.143 4.783 4.640 0.000 0.000 0.256 293 D C 1.192 177.580 176.300 0.147 0.000 1.193 293 D CA 0.133 54.156 54.000 0.038 0.000 0.881 293 D CB 0.912 41.751 40.800 0.065 0.000 1.143 293 D HN 0.378 nan 8.370 nan 0.000 0.473 294 I N 1.455 122.109 120.570 0.141 0.000 2.703 294 I HA 0.017 4.187 4.170 0.000 0.000 0.259 294 I C 0.512 176.694 176.117 0.107 0.000 1.151 294 I CA 0.402 61.814 61.300 0.188 0.000 1.470 294 I CB 0.225 38.308 38.000 0.138 0.000 1.112 294 I HN 0.173 nan 8.210 nan 0.000 0.437 295 L N 0.373 121.641 121.223 0.076 0.000 2.505 295 L HA 0.481 4.821 4.340 0.000 0.000 0.259 295 L C -1.145 175.742 176.870 0.028 0.000 0.952 295 L CA -0.335 54.541 54.840 0.061 0.000 0.840 295 L CB 1.832 43.917 42.059 0.043 0.000 1.358 295 L HN -0.091 nan 8.230 nan 0.000 0.409 296 K N 4.059 124.490 120.400 0.052 0.000 2.670 296 K HA 0.469 4.789 4.320 0.000 0.000 0.274 296 K C -2.265 174.383 176.600 0.080 0.000 1.068 296 K CA -0.535 55.744 56.287 -0.014 0.000 0.967 296 K CB 1.051 33.591 32.500 0.066 0.000 1.297 296 K HN 0.636 nan 8.250 nan 0.000 0.477 297 Y N -0.473 119.725 120.300 -0.170 0.000 2.592 297 Y HA 0.620 5.170 4.550 0.000 0.000 0.334 297 Y C -1.760 174.123 175.900 -0.029 0.000 1.136 297 Y CA -1.219 56.823 58.100 -0.097 0.000 1.042 297 Y CB 1.115 39.480 38.460 -0.157 0.000 1.325 297 Y HN -0.033 nan 8.280 nan 0.000 0.457 298 V N 2.296 122.348 119.914 0.230 0.000 2.427 298 V HA 0.341 4.461 4.120 0.000 0.000 0.286 298 V C -1.084 175.128 176.094 0.196 0.000 1.034 298 V CA -0.340 62.085 62.300 0.207 0.000 0.893 298 V CB 1.474 33.399 31.823 0.169 0.000 0.982 298 V HN 0.851 nan 8.190 nan 0.000 0.452 299 D N 2.926 123.448 120.400 0.203 0.000 2.408 299 D HA 0.531 5.171 4.640 0.000 0.000 0.243 299 D C -1.158 175.253 176.300 0.186 0.000 1.075 299 D CA -0.194 53.943 54.000 0.229 0.000 0.832 299 D CB 1.940 42.943 40.800 0.338 0.000 1.162 299 D HN 0.395 nan 8.370 nan 0.000 0.515 300 V N 3.750 123.778 119.914 0.189 0.000 2.448 300 V HA 0.974 5.094 4.120 0.000 0.000 0.295 300 V C -0.022 176.221 176.094 0.248 0.000 1.025 300 V CA 0.126 62.551 62.300 0.208 0.000 0.859 300 V CB 0.969 32.919 31.823 0.212 0.000 0.988 300 V HN 0.656 nan 8.190 nan 0.000 0.431 301 G N 4.162 113.086 108.800 0.206 0.000 2.663 301 G HA2 0.936 4.896 3.960 0.000 0.000 0.299 301 G HA3 0.936 4.896 3.960 0.000 0.000 0.299 301 G C -1.282 173.717 174.900 0.165 0.000 1.372 301 G CA -0.209 45.010 45.100 0.198 0.000 0.781 301 G HN 1.620 nan 8.290 nan 0.000 0.491 302 A N -0.799 122.116 122.820 0.158 0.000 2.589 302 A HA 0.835 5.155 4.320 0.000 0.000 0.296 302 A C -0.678 176.980 177.584 0.123 0.000 1.062 302 A CA -0.408 51.714 52.037 0.141 0.000 0.686 302 A CB 1.588 20.682 19.000 0.157 0.000 1.282 302 A HN 1.020 nan 8.150 nan 0.000 0.404 303 T N 1.309 115.896 114.554 0.054 0.000 2.829 303 T HA 0.552 4.902 4.350 0.000 0.000 0.280 303 T C -1.386 173.230 174.700 -0.140 0.000 0.999 303 T CA -0.063 61.988 62.100 -0.081 0.000 0.983 303 T CB 0.987 69.671 68.868 -0.306 0.000 0.968 303 T HN 0.553 nan 8.240 nan 0.000 0.446 304 Y N 2.784 122.894 120.300 -0.315 0.000 2.328 304 Y HA 0.501 5.051 4.550 0.000 0.000 0.337 304 Y C -1.418 174.147 175.900 -0.558 0.000 0.966 304 Y CA -1.395 56.483 58.100 -0.370 0.000 1.136 304 Y CB 0.557 38.806 38.460 -0.352 0.000 1.170 304 Y HN 0.600 nan 8.280 nan 0.000 0.470 305 Y N 7.150 126.939 120.300 -0.850 0.000 2.383 305 Y HA 0.199 4.749 4.550 0.000 0.000 0.344 305 Y C 0.263 175.665 175.900 -0.830 0.000 0.986 305 Y CA -0.338 57.411 58.100 -0.584 0.000 1.175 305 Y CB 0.336 38.586 38.460 -0.350 0.000 1.152 305 Y HN 0.679 nan 8.280 nan 0.000 0.511 306 F N 1.130 120.994 119.950 -0.142 0.000 2.128 306 F HA -0.101 4.426 4.527 0.000 0.000 0.295 306 F C 0.848 176.663 175.800 0.025 0.000 1.100 306 F CA 0.871 58.879 58.000 0.013 0.000 1.260 306 F CB -0.088 39.003 39.000 0.152 0.000 1.009 306 F HN 0.562 nan 8.300 nan 0.000 0.476 307 N N -1.790 117.052 118.700 0.238 0.000 3.526 307 N HA 0.137 4.877 4.740 0.000 0.000 0.328 307 N C -0.286 175.290 175.510 0.111 0.000 1.601 307 N CA -0.804 52.324 53.050 0.129 0.000 0.834 307 N CB 0.294 38.856 38.487 0.125 0.000 1.983 307 N HN -0.228 nan 8.380 nan 0.000 0.579 308 K N -0.736 119.691 120.400 0.045 0.000 2.504 308 K HA 0.126 4.446 4.320 0.000 0.000 0.195 308 K C 0.042 176.656 176.600 0.023 0.000 1.036 308 K CA 1.033 57.326 56.287 0.010 0.000 0.984 308 K CB -0.409 32.073 32.500 -0.030 0.000 0.788 308 K HN 0.433 nan 8.250 nan 0.000 0.488 309 N N -0.650 118.078 118.700 0.047 0.000 2.210 309 N HA 0.096 4.836 4.740 0.000 0.000 0.203 309 N C -0.582 174.931 175.510 0.005 0.000 1.175 309 N CA -0.054 52.975 53.050 -0.036 0.000 0.894 309 N CB 0.636 39.107 38.487 -0.027 0.000 1.041 309 N HN -0.050 nan 8.380 nan 0.000 0.506 310 M N 0.826 120.525 119.600 0.164 0.000 2.326 310 M HA 0.461 4.941 4.480 0.000 0.000 0.292 310 M C -1.625 174.919 176.300 0.406 0.000 1.081 310 M CA -0.529 54.926 55.300 0.257 0.000 0.919 310 M CB 1.815 34.552 32.600 0.229 0.000 1.634 310 M HN 0.059 nan 8.290 nan 0.000 0.451 311 S N 1.696 117.607 115.700 0.352 0.000 2.596 311 S HA 0.912 5.383 4.470 0.000 0.000 0.270 311 S C -1.015 173.746 174.600 0.268 0.000 1.155 311 S CA -0.716 57.636 58.200 0.253 0.000 0.827 311 S CB 2.044 65.196 63.200 -0.079 0.000 1.130 311 S HN 0.815 nan 8.310 nan 0.000 0.467 312 T N 0.908 115.574 114.554 0.187 0.000 2.909 312 T HA 0.770 5.120 4.350 0.000 0.000 0.299 312 T C -1.927 172.829 174.700 0.092 0.000 1.073 312 T CA -0.586 61.591 62.100 0.128 0.000 0.999 312 T CB 1.086 70.103 68.868 0.248 0.000 1.098 312 T HN 1.147 nan 8.240 nan 0.000 0.477 313 Y N 0.674 120.993 120.300 0.032 0.000 2.597 313 Y HA 0.824 5.374 4.550 0.000 0.000 0.340 313 Y C -1.630 174.304 175.900 0.056 0.000 1.097 313 Y CA -1.344 56.765 58.100 0.014 0.000 1.037 313 Y CB 1.131 39.576 38.460 -0.024 0.000 1.305 313 Y HN 0.492 nan 8.280 nan 0.000 0.463 314 V N 2.063 122.153 119.914 0.292 0.000 2.588 314 V HA 0.613 4.734 4.120 0.000 0.000 0.304 314 V C -1.812 174.463 176.094 0.301 0.000 1.042 314 V CA -0.219 62.233 62.300 0.253 0.000 0.877 314 V CB 1.685 33.597 31.823 0.149 0.000 0.996 314 V HN 0.915 nan 8.190 nan 0.000 0.425 315 D N 4.478 125.070 120.400 0.319 0.000 2.757 315 D HA 0.336 4.976 4.640 0.000 0.000 0.249 315 D C -1.938 174.654 176.300 0.486 0.000 1.168 315 D CA -0.132 54.064 54.000 0.327 0.000 0.870 315 D CB 1.805 42.708 40.800 0.170 0.000 1.411 315 D HN 0.526 nan 8.370 nan 0.000 0.525 316 Y N 3.242 123.707 120.300 0.275 0.000 2.388 316 Y HA 0.313 4.864 4.550 0.000 0.000 0.328 316 Y C -0.583 175.387 175.900 0.117 0.000 0.963 316 Y CA -1.050 57.164 58.100 0.191 0.000 1.240 316 Y CB 0.885 39.422 38.460 0.127 0.000 1.118 316 Y HN 0.190 nan 8.280 nan 0.000 0.484 317 K N 8.172 128.486 120.400 -0.143 0.000 2.250 317 K HA 0.361 4.681 4.320 0.000 0.000 0.280 317 K C -0.992 175.279 176.600 -0.548 0.000 1.098 317 K CA -0.305 55.677 56.287 -0.509 0.000 0.916 317 K CB -0.009 31.780 32.500 -1.185 0.000 1.209 317 K HN 0.768 nan 8.250 nan 0.000 0.461 318 I N 4.243 124.521 120.570 -0.487 0.000 2.294 318 I HA 0.030 4.200 4.170 0.000 0.000 0.295 318 I C 0.291 176.319 176.117 -0.149 0.000 1.098 318 I CA -0.494 60.557 61.300 -0.414 0.000 1.277 318 I CB 0.296 38.072 38.000 -0.372 0.000 1.434 318 I HN 0.430 nan 8.210 nan 0.000 0.498 319 N N 7.020 125.630 118.700 -0.150 0.000 2.406 319 N HA 0.218 4.958 4.740 0.000 0.000 0.251 319 N C 0.536 176.044 175.510 -0.003 0.000 1.069 319 N CA -0.072 52.935 53.050 -0.073 0.000 0.947 319 N CB 1.145 39.547 38.487 -0.141 0.000 1.111 319 N HN 0.579 nan 8.380 nan 0.000 0.497 320 L N 2.983 124.240 121.223 0.057 0.000 2.558 320 L HA 0.169 4.509 4.340 0.000 0.000 0.225 320 L C 0.775 177.682 176.870 0.062 0.000 1.128 320 L CA 0.104 54.985 54.840 0.068 0.000 0.868 320 L CB -0.068 42.061 42.059 0.116 0.000 1.006 320 L HN 0.361 nan 8.230 nan 0.000 0.454 321 L N 0.866 122.122 121.223 0.055 0.000 2.490 321 L HA 0.049 4.389 4.340 0.000 0.000 0.274 321 L C -0.112 176.782 176.870 0.040 0.000 1.201 321 L CA 0.248 55.120 54.840 0.054 0.000 0.869 321 L CB 0.272 42.359 42.059 0.048 0.000 1.123 321 L HN 0.065 nan 8.230 nan 0.000 0.484 322 D N 1.284 121.714 120.400 0.051 0.000 2.181 322 D HA 0.096 4.736 4.640 0.000 0.000 0.248 322 D C -0.547 175.780 176.300 0.046 0.000 1.020 322 D CA -0.397 53.629 54.000 0.043 0.000 0.891 322 D CB 1.747 42.575 40.800 0.046 0.000 1.187 322 D HN 0.391 nan 8.370 nan 0.000 0.443 323 D N 1.243 121.663 120.400 0.033 0.000 2.363 323 D HA 0.054 4.694 4.640 0.000 0.000 0.263 323 D C -0.494 175.832 176.300 0.044 0.000 1.258 323 D CA 0.057 54.074 54.000 0.028 0.000 0.907 323 D CB -0.130 40.681 40.800 0.018 0.000 1.107 323 D HN 0.346 nan 8.370 nan 0.000 0.495 324 N N 1.608 120.344 118.700 0.060 0.000 2.831 324 N HA 0.167 4.907 4.740 0.000 0.000 0.276 324 N C 0.533 176.098 175.510 0.091 0.000 1.416 324 N CA -0.730 52.370 53.050 0.084 0.000 0.799 324 N CB 0.535 39.092 38.487 0.117 0.000 1.554 324 N HN 0.064 nan 8.380 nan 0.000 0.541 325 Q N -0.389 119.484 119.800 0.122 0.000 2.077 325 Q HA -0.064 4.276 4.340 0.000 0.000 0.206 325 Q C 1.429 177.525 176.000 0.161 0.000 0.989 325 Q CA 1.901 57.787 55.803 0.137 0.000 0.853 325 Q CB -0.601 28.238 28.738 0.168 0.000 0.907 325 Q HN 0.656 nan 8.270 nan 0.000 0.418 326 F N 0.553 120.539 119.950 0.059 0.000 2.069 326 F HA -0.228 4.299 4.527 0.000 0.000 0.298 326 F C 2.227 177.947 175.800 -0.133 0.000 1.113 326 F CA 2.539 60.489 58.000 -0.083 0.000 1.214 326 F CB -1.097 37.830 39.000 -0.121 0.000 0.978 326 F HN 0.284 nan 8.300 nan 0.000 0.474 327 T N -1.364 113.038 114.554 -0.254 0.000 2.788 327 T HA -0.159 4.191 4.350 0.000 0.000 0.268 327 T C 2.143 176.689 174.700 -0.257 0.000 1.044 327 T CA 1.343 63.231 62.100 -0.354 0.000 1.139 327 T CB -0.620 68.188 68.868 -0.099 0.000 0.867 327 T HN 0.359 nan 8.240 nan 0.000 0.454 328 R N 1.147 121.567 120.500 -0.134 0.000 2.073 328 R HA -0.080 4.260 4.340 0.000 0.000 0.234 328 R C 2.356 178.587 176.300 -0.114 0.000 1.134 328 R CA 1.889 57.935 56.100 -0.090 0.000 0.952 328 R CB -0.389 29.895 30.300 -0.026 0.000 0.850 328 R HN 0.447 nan 8.270 nan 0.000 0.433 329 D N 0.245 120.575 120.400 -0.117 0.000 2.123 329 D HA -0.143 4.498 4.640 0.000 0.000 0.196 329 D C 1.592 177.781 176.300 -0.185 0.000 0.992 329 D CA 1.596 55.540 54.000 -0.093 0.000 0.833 329 D CB -0.191 40.620 40.800 0.017 0.000 0.954 329 D HN 0.285 nan 8.370 nan 0.000 0.455 330 A N -0.230 122.370 122.820 -0.367 0.000 2.123 330 A HA 0.364 4.684 4.320 0.000 0.000 0.214 330 A C 1.727 179.154 177.584 -0.262 0.000 1.152 330 A CA 1.128 52.937 52.037 -0.379 0.000 0.728 330 A CB -0.265 18.340 19.000 -0.658 0.000 0.814 330 A HN 0.272 nan 8.150 nan 0.000 0.464 331 G N -0.554 108.113 108.800 -0.220 0.000 2.225 331 G HA2 -0.218 3.742 3.960 0.000 0.000 0.264 331 G HA3 -0.218 3.742 3.960 0.000 0.000 0.264 331 G C -0.046 174.760 174.900 -0.156 0.000 1.060 331 G CA 0.313 45.320 45.100 -0.155 0.000 0.833 331 G HN 0.471 nan 8.290 nan 0.000 0.498 332 I N 0.374 120.829 120.570 -0.191 0.000 2.342 332 I HA 0.166 4.336 4.170 0.000 0.000 0.291 332 I C 0.739 176.790 176.117 -0.109 0.000 1.010 332 I CA -0.886 60.321 61.300 -0.155 0.000 1.308 332 I CB 1.044 38.936 38.000 -0.181 0.000 1.400 332 I HN 0.222 nan 8.210 nan 0.000 0.488 333 N N 3.800 122.444 118.700 -0.093 0.000 2.468 333 N HA -0.001 4.739 4.740 0.000 0.000 0.265 333 N C 0.727 176.189 175.510 -0.080 0.000 1.199 333 N CA 0.289 53.289 53.050 -0.083 0.000 0.928 333 N CB 0.729 39.160 38.487 -0.093 0.000 1.059 333 N HN 0.712 nan 8.380 nan 0.000 0.467 334 T N -1.421 113.097 114.554 -0.061 0.000 3.040 334 T HA 0.224 4.574 4.350 0.000 0.000 0.266 334 T C -0.126 174.546 174.700 -0.048 0.000 1.005 334 T CA -0.406 61.668 62.100 -0.044 0.000 0.906 334 T CB 0.001 68.858 68.868 -0.017 0.000 1.082 334 T HN 0.315 nan 8.240 nan 0.000 0.531 335 D N 2.601 122.966 120.400 -0.059 0.000 2.294 335 D HA 0.330 4.970 4.640 0.000 0.000 0.250 335 D C -0.206 176.039 176.300 -0.091 0.000 1.058 335 D CA -0.458 53.515 54.000 -0.045 0.000 0.950 335 D CB 0.952 41.742 40.800 -0.018 0.000 1.158 335 D HN 0.169 nan 8.370 nan 0.000 0.453 336 N N 0.402 119.067 118.700 -0.058 0.000 2.444 336 N HA 0.328 5.068 4.740 0.000 0.000 0.255 336 N C -0.170 175.310 175.510 -0.050 0.000 1.255 336 N CA 0.107 53.104 53.050 -0.088 0.000 0.933 336 N CB 0.925 39.425 38.487 0.022 0.000 1.143 336 N HN 0.313 nan 8.380 nan 0.000 0.453 337 I N 0.070 120.579 120.570 -0.102 0.000 2.619 337 I HA 0.272 4.442 4.170 0.000 0.000 0.292 337 I C -0.808 175.437 176.117 0.213 0.000 1.100 337 I CA -1.001 60.296 61.300 -0.006 0.000 1.043 337 I CB 2.210 40.080 38.000 -0.217 0.000 1.239 337 I HN -0.045 nan 8.210 nan 0.000 0.420 338 V N 4.477 124.586 119.914 0.325 0.000 2.398 338 V HA 0.727 4.847 4.120 0.000 0.000 0.286 338 V C 0.197 176.527 176.094 0.393 0.000 1.026 338 V CA -0.410 62.121 62.300 0.384 0.000 0.868 338 V CB 1.542 33.512 31.823 0.245 0.000 0.982 338 V HN 0.839 nan 8.190 nan 0.000 0.443 339 A N 6.024 129.036 122.820 0.320 0.000 2.330 339 A HA 0.913 5.233 4.320 0.000 0.000 0.327 339 A C -0.992 176.757 177.584 0.275 0.000 1.155 339 A CA -0.546 51.631 52.037 0.233 0.000 0.803 339 A CB 1.006 19.974 19.000 -0.054 0.000 1.208 339 A HN 0.792 nan 8.150 nan 0.000 0.477 340 L N 2.096 123.472 121.223 0.256 0.000 2.381 340 L HA 0.696 5.036 4.340 0.000 0.000 0.274 340 L C 0.302 177.105 176.870 -0.113 0.000 0.988 340 L CA -0.366 54.533 54.840 0.098 0.000 0.824 340 L CB 2.357 44.552 42.059 0.226 0.000 1.263 340 L HN 0.892 nan 8.230 nan 0.000 0.410 341 G N 3.024 111.490 108.800 -0.557 0.000 2.571 341 G HA2 0.679 4.639 3.960 0.000 0.000 0.304 341 G HA3 0.679 4.639 3.960 0.000 0.000 0.304 341 G C -2.218 172.370 174.900 -0.520 0.000 1.314 341 G CA -0.440 44.210 45.100 -0.751 0.000 0.975 341 G HN 0.310 nan 8.290 nan 0.000 0.485 342 L N 1.813 122.892 121.223 -0.239 0.000 2.406 342 L HA 0.741 5.082 4.340 0.000 0.000 0.272 342 L C -1.099 175.760 176.870 -0.018 0.000 0.980 342 L CA -0.730 54.068 54.840 -0.071 0.000 0.831 342 L CB 2.144 44.191 42.059 -0.020 0.000 1.253 342 L HN 0.348 nan 8.230 nan 0.000 0.406 343 V N 5.270 125.220 119.914 0.060 0.000 2.483 343 V HA 0.379 4.499 4.120 0.000 0.000 0.297 343 V C -1.118 175.063 176.094 0.144 0.000 1.027 343 V CA -0.679 61.670 62.300 0.083 0.000 0.855 343 V CB 1.441 33.332 31.823 0.112 0.000 0.995 343 V HN 0.663 nan 8.190 nan 0.000 0.424 344 Y N 5.286 125.607 120.300 0.036 0.000 2.342 344 Y HA 0.703 5.253 4.550 0.000 0.000 0.334 344 Y C 0.032 175.985 175.900 0.089 0.000 1.067 344 Y CA -0.352 57.790 58.100 0.071 0.000 1.128 344 Y CB 1.486 39.983 38.460 0.063 0.000 1.200 344 Y HN 0.760 nan 8.280 nan 0.000 0.464 345 Q N 5.869 125.243 119.800 -0.710 0.000 2.416 345 Q HA 0.611 4.951 4.340 0.000 0.000 0.281 345 Q C -1.855 173.832 176.000 -0.523 0.000 1.067 345 Q CA -0.931 54.574 55.803 -0.496 0.000 0.809 345 Q CB 2.777 31.378 28.738 -0.227 0.000 1.418 345 Q HN 0.658 nan 8.270 nan 0.000 0.411 346 F N 0.000 119.784 119.950 -0.276 0.000 2.286 346 F HA 0.000 4.527 4.527 0.000 0.000 0.279 346 F CA 0.000 57.933 58.000 -0.111 0.000 1.383 346 F CB 0.000 39.004 39.000 0.006 0.000 1.145 346 F HN 0.000 nan 8.300 nan 0.000 0.574