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 2vgz_1_B DATA FIRST_RESID -3 DATA SEQUENCE MLEXXNYARF ITAASAARNP SPXXXXXXXX XXXXXSMISL AGGLPNPNMF DATA SEQUENCE PFKTAVITVE NGKTIQFGEE MMKRALQYSP SAGIPELLSW LKQLQIKLHN DATA SEQUENCE PPTIHYPPSQ GQMDLCVTSG SQQGLCKVFE MIINPGDNVL LDEPAYSGTL DATA SEQUENCE QSLHPLGCNI INVASDESGI VPDSLRDILS RWKPEDAKNP QKNTPKFLYT DATA SEQUENCE VPNGNNPTGN SLTSERKKEI YELARKYDFL IIEDDPYYFL QFNKFRVPTF DATA SEQUENCE LSMDVDGRVI RADSFSXIIS SGLRIGFLTG PKPLIERVIL HIQVSTLHPS DATA SEQUENCE TFNQLMISQL LHEWGEEGFM AHVDRVIDFY SNQKDAILAA ADKWLTGLAE DATA SEQUENCE WHVPAAGMFL WIKVKGINDV KELIEEKAVK MGVLMLPGNA FYVDSSAPSP DATA SEQUENCE YLRASFSSAS PEQMDVAFQV LAQLIKESL 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 -3 M HA 0.000 nan 4.480 nan 0.000 0.227 -3 M C 0.000 176.370 176.300 0.116 0.000 1.140 -3 M CA 0.000 55.345 55.300 0.075 0.000 0.988 -3 M CB 0.000 32.637 32.600 0.061 0.000 1.302 -2 L N 0.412 121.703 121.223 0.113 0.000 2.418 -2 L HA -0.012 4.328 4.340 0.000 0.000 0.218 -2 L C 1.077 178.052 176.870 0.175 0.000 1.125 -2 L CA 0.418 55.358 54.840 0.167 0.000 0.835 -2 L CB -0.214 41.923 42.059 0.129 0.000 0.953 -2 L HN 0.737 nan 8.230 nan 0.000 0.454 3 Y N 0.973 121.372 120.300 0.166 0.000 2.467 3 Y HA 0.494 5.044 4.550 0.000 0.000 0.250 3 Y C 2.134 178.171 175.900 0.230 0.000 1.155 3 Y CA 0.340 58.620 58.100 0.299 0.000 1.249 3 Y CB 0.456 39.047 38.460 0.218 0.000 1.146 3 Y HN 0.135 nan 8.280 nan 0.000 0.524 4 A N 1.438 124.365 122.820 0.178 0.000 1.940 4 A HA -0.251 4.069 4.320 0.000 0.000 0.219 4 A C 2.266 179.854 177.584 0.006 0.000 1.176 4 A CA 2.022 54.114 52.037 0.091 0.000 0.631 4 A CB -0.552 18.471 19.000 0.039 0.000 0.814 4 A HN 0.580 nan 8.150 nan 0.000 0.446 5 R N -1.750 118.658 120.500 -0.154 0.000 2.241 5 R HA -0.021 4.320 4.340 0.000 0.000 0.224 5 R C 1.324 177.421 176.300 -0.338 0.000 1.101 5 R CA 1.619 57.533 56.100 -0.311 0.000 0.995 5 R CB -0.629 29.370 30.300 -0.502 0.000 0.870 5 R HN 0.486 nan 8.270 nan 0.000 0.463 6 F N 0.597 120.600 119.950 0.089 0.000 2.569 6 F HA 0.230 4.757 4.527 0.000 0.000 0.295 6 F C 0.730 176.602 175.800 0.121 0.000 1.115 6 F CA -0.395 57.680 58.000 0.126 0.000 1.450 6 F CB 0.301 39.413 39.000 0.188 0.000 1.107 6 F HN -0.084 nan 8.300 nan 0.000 0.563 7 I N 0.171 120.885 120.570 0.240 0.000 2.428 7 I HA 0.151 4.322 4.170 0.000 0.000 0.296 7 I C 0.738 176.920 176.117 0.108 0.000 0.985 7 I CA -0.870 60.536 61.300 0.177 0.000 1.260 7 I CB 1.039 39.133 38.000 0.158 0.000 1.389 7 I HN -0.231 nan 8.210 nan 0.000 0.484 8 T N 4.289 118.901 114.554 0.095 0.000 2.860 8 T HA 0.296 4.646 4.350 0.000 0.000 0.299 8 T C 1.313 176.036 174.700 0.038 0.000 1.045 8 T CA 0.256 62.394 62.100 0.062 0.000 1.071 8 T CB 1.015 69.924 68.868 0.067 0.000 0.985 8 T HN 0.716 nan 8.240 nan 0.000 0.537 9 A N 2.378 125.212 122.820 0.023 0.000 1.969 9 A HA 0.109 4.429 4.320 0.000 0.000 0.218 9 A C 2.483 180.070 177.584 0.006 0.000 1.169 9 A CA 1.800 53.845 52.037 0.013 0.000 0.635 9 A CB -0.996 18.007 19.000 0.006 0.000 0.810 9 A HN 0.909 nan 8.150 nan 0.000 0.445 10 A N -0.920 121.901 122.820 0.001 0.000 1.898 10 A HA -0.066 4.254 4.320 0.000 0.000 0.216 10 A C 2.465 180.033 177.584 -0.028 0.000 1.181 10 A CA 2.016 54.042 52.037 -0.018 0.000 0.620 10 A CB -0.915 18.069 19.000 -0.027 0.000 0.819 10 A HN 0.516 nan 8.150 nan 0.000 0.442 11 S N -0.350 115.346 115.700 -0.008 0.000 2.356 11 S HA -0.056 4.414 4.470 0.000 0.000 0.223 11 S C 2.208 176.812 174.600 0.008 0.000 1.032 11 S CA 1.566 59.765 58.200 -0.003 0.000 1.005 11 S CB -0.490 62.734 63.200 0.041 0.000 0.867 11 S HN 0.820 nan 8.310 nan 0.000 0.449 12 A N 1.066 123.900 122.820 0.023 0.000 1.978 12 A HA 0.138 4.458 4.320 0.000 0.000 0.220 12 A C 2.308 179.899 177.584 0.012 0.000 1.170 12 A CA 1.826 53.879 52.037 0.026 0.000 0.636 12 A CB -1.110 17.910 19.000 0.033 0.000 0.810 12 A HN 0.746 nan 8.150 nan 0.000 0.448 13 A N -0.464 122.356 122.820 0.000 0.000 2.168 13 A HA 0.061 4.381 4.320 0.000 0.000 0.215 13 A C 1.310 178.886 177.584 -0.013 0.000 1.152 13 A CA -0.054 51.979 52.037 -0.006 0.000 0.716 13 A CB -0.216 18.778 19.000 -0.011 0.000 0.794 13 A HN 0.548 nan 8.150 nan 0.000 0.465 14 R N 1.163 121.651 120.500 -0.020 0.000 2.590 14 R HA 0.202 4.542 4.340 0.000 0.000 0.274 14 R C -0.859 175.436 176.300 -0.009 0.000 1.061 14 R CA -0.032 56.053 56.100 -0.025 0.000 1.081 14 R CB 0.187 30.465 30.300 -0.037 0.000 0.984 14 R HN 0.356 nan 8.270 nan 0.000 0.448 15 N N 2.292 120.987 118.700 -0.008 0.000 2.362 15 N HA 0.370 5.110 4.740 0.000 0.000 0.299 15 N C -2.573 172.938 175.510 0.001 0.000 1.170 15 N CA -1.963 51.086 53.050 -0.002 0.000 0.825 15 N CB 1.229 39.714 38.487 -0.002 0.000 1.299 15 N HN 0.250 nan 8.380 nan 0.000 0.502 16 P HA 0.056 nan 4.420 nan 0.000 0.265 16 P C -0.254 177.047 177.300 0.001 0.000 1.193 16 P CA 0.243 63.346 63.100 0.005 0.000 0.765 16 P CB 0.540 32.243 31.700 0.005 0.000 0.823 17 S N 2.164 117.865 115.700 0.002 0.000 2.569 17 S HA 0.292 4.763 4.470 0.000 0.000 0.215 17 S C -2.181 172.413 174.600 -0.010 0.000 1.096 17 S CA -1.080 57.118 58.200 -0.004 0.000 1.183 17 S CB -0.370 62.828 63.200 -0.002 0.000 1.324 17 S HN 0.262 nan 8.310 nan 0.000 0.421 33 M N 2.329 121.928 119.600 -0.000 0.000 2.105 33 M HA 0.532 5.012 4.480 0.000 0.000 0.350 33 M C -1.200 175.100 176.300 0.001 0.000 1.308 33 M CA 0.096 55.396 55.300 0.001 0.000 1.108 33 M CB -0.179 32.422 32.600 0.001 0.000 1.622 33 M HN 0.445 nan 8.290 nan 0.000 0.468 34 I N 3.570 124.140 120.570 0.001 0.000 2.322 34 I HA 0.187 4.357 4.170 0.000 0.000 0.292 34 I C 0.062 176.180 176.117 0.003 0.000 1.060 34 I CA -0.105 61.196 61.300 0.001 0.000 1.309 34 I CB 0.693 38.694 38.000 0.001 0.000 1.415 34 I HN 0.578 nan 8.210 nan 0.000 0.492 35 S N 6.621 122.324 115.700 0.004 0.000 2.433 35 S HA 0.511 4.981 4.470 0.000 0.000 0.310 35 S C 0.544 175.148 174.600 0.007 0.000 1.097 35 S CA -0.641 57.562 58.200 0.006 0.000 1.103 35 S CB 0.771 63.975 63.200 0.007 0.000 0.992 35 S HN 0.562 nan 8.310 nan 0.000 0.469 36 L N 3.823 125.050 121.223 0.007 0.000 2.818 36 L HA 0.319 4.659 4.340 0.000 0.000 0.243 36 L C 1.730 178.606 176.870 0.010 0.000 1.185 36 L CA -0.014 54.831 54.840 0.008 0.000 0.988 36 L CB -0.114 41.949 42.059 0.006 0.000 1.292 36 L HN 0.753 nan 8.230 nan 0.000 0.519 37 A N -0.093 122.733 122.820 0.010 0.000 2.195 37 A HA 0.337 4.657 4.320 0.000 0.000 0.210 37 A C 1.294 178.886 177.584 0.012 0.000 1.165 37 A CA 0.436 52.479 52.037 0.010 0.000 0.806 37 A CB -0.122 18.882 19.000 0.007 0.000 0.847 37 A HN 0.331 nan 8.150 nan 0.000 0.482 38 G N -1.649 107.161 108.800 0.017 0.000 2.562 38 G HA2 0.429 4.389 3.960 0.000 0.000 0.275 38 G HA3 0.429 4.389 3.960 0.000 0.000 0.275 38 G C 0.547 175.466 174.900 0.032 0.000 1.196 38 G CA 0.089 45.202 45.100 0.023 0.000 0.908 38 G HN 0.583 nan 8.290 nan 0.000 0.524 39 G N -0.407 108.417 108.800 0.039 0.000 3.993 39 G HA2 0.398 4.358 3.960 0.000 0.000 0.294 39 G HA3 0.398 4.358 3.960 0.000 0.000 0.294 39 G C 0.250 175.224 174.900 0.124 0.000 1.043 39 G CA -0.424 44.711 45.100 0.058 0.000 0.839 39 G HN 0.417 nan 8.290 nan 0.000 0.516 40 L N 2.296 123.605 121.223 0.144 0.000 2.349 40 L HA 0.351 4.691 4.340 0.000 0.000 0.275 40 L C -1.335 175.638 176.870 0.171 0.000 1.115 40 L CA -1.695 53.287 54.840 0.237 0.000 0.820 40 L CB 0.847 43.022 42.059 0.193 0.000 1.135 40 L HN 0.067 nan 8.230 nan 0.000 0.445 41 P HA 0.027 nan 4.420 nan 0.000 0.274 41 P C -0.839 176.437 177.300 -0.040 0.000 1.260 41 P CA -0.598 62.555 63.100 0.088 0.000 0.793 41 P CB 0.504 32.296 31.700 0.153 0.000 1.048 42 N N 1.352 119.966 118.700 -0.142 0.000 2.411 42 N HA 0.063 4.804 4.740 0.000 0.000 0.259 42 N C -1.462 173.727 175.510 -0.535 0.000 1.103 42 N CA -1.654 51.260 53.050 -0.228 0.000 0.954 42 N CB 0.659 39.048 38.487 -0.163 0.000 1.085 42 N HN 0.178 nan 8.380 nan 0.000 0.485 43 P HA -0.047 nan 4.420 nan 0.000 0.223 43 P C 0.247 177.268 177.300 -0.465 0.000 1.151 43 P CA 1.070 63.801 63.100 -0.614 0.000 0.787 43 P CB 0.265 31.881 31.700 -0.140 0.000 0.788 44 N N -0.637 117.894 118.700 -0.282 0.000 2.519 44 N HA -0.025 4.715 4.740 0.000 0.000 0.186 44 N C 1.510 176.916 175.510 -0.173 0.000 1.062 44 N CA 0.563 53.516 53.050 -0.162 0.000 0.910 44 N CB -0.327 38.097 38.487 -0.105 0.000 0.958 44 N HN 0.066 nan 8.380 nan 0.000 0.445 45 M N -0.091 119.322 119.600 -0.311 0.000 2.509 45 M HA 0.123 4.604 4.480 0.000 0.000 0.250 45 M C -0.398 175.872 176.300 -0.050 0.000 1.132 45 M CA 0.304 55.488 55.300 -0.193 0.000 1.080 45 M CB -0.276 32.207 32.600 -0.196 0.000 1.408 45 M HN -0.042 nan 8.290 nan 0.000 0.484 46 F N 2.180 122.119 119.950 -0.018 0.000 2.443 46 F HA 0.238 4.765 4.527 0.000 0.000 0.353 46 F C -1.081 174.668 175.800 -0.085 0.000 1.101 46 F CA -2.505 55.481 58.000 -0.025 0.000 1.226 46 F CB -0.457 38.577 39.000 0.056 0.000 1.140 46 F HN 0.012 nan 8.300 nan 0.000 0.557 47 P HA -0.058 nan 4.420 nan 0.000 0.227 47 P C -0.161 176.963 177.300 -0.295 0.000 1.161 47 P CA 0.805 63.743 63.100 -0.270 0.000 0.788 47 P CB 0.082 31.493 31.700 -0.481 0.000 0.822 48 F N 0.457 120.427 119.950 0.033 0.000 2.427 48 F HA 0.282 4.809 4.527 0.000 0.000 0.352 48 F C 1.744 177.574 175.800 0.051 0.000 1.100 48 F CA -0.332 57.671 58.000 0.005 0.000 1.191 48 F CB 0.544 39.505 39.000 -0.065 0.000 1.128 48 F HN -0.349 nan 8.300 nan 0.000 0.533 49 K N 0.490 121.012 120.400 0.203 0.000 2.367 49 K HA 0.184 4.505 4.320 0.000 0.000 0.198 49 K C 0.337 177.030 176.600 0.155 0.000 1.132 49 K CA 0.710 57.086 56.287 0.147 0.000 0.941 49 K CB 0.440 32.991 32.500 0.085 0.000 1.052 49 K HN 0.784 nan 8.250 nan 0.000 0.507 50 T N -1.783 112.862 114.554 0.152 0.000 2.853 50 T HA 0.798 5.148 4.350 0.000 0.000 0.311 50 T C -1.369 173.413 174.700 0.137 0.000 1.307 50 T CA -0.956 61.235 62.100 0.152 0.000 1.019 50 T CB 2.280 71.213 68.868 0.109 0.000 1.264 50 T HN 0.067 nan 8.240 nan 0.000 0.497 51 A N 1.131 124.036 122.820 0.142 0.000 2.475 51 A HA 0.841 5.161 4.320 0.000 0.000 0.301 51 A C -1.150 176.481 177.584 0.078 0.000 1.059 51 A CA -0.859 51.217 52.037 0.066 0.000 0.710 51 A CB 1.959 20.934 19.000 -0.041 0.000 1.288 51 A HN 1.128 nan 8.150 nan 0.000 0.408 52 V N 3.112 123.050 119.914 0.040 0.000 2.531 52 V HA 0.499 4.620 4.120 0.000 0.000 0.301 52 V C -0.857 175.242 176.094 0.008 0.000 1.034 52 V CA -0.408 61.917 62.300 0.042 0.000 0.865 52 V CB 1.530 33.372 31.823 0.031 0.000 0.995 52 V HN 0.706 nan 8.190 nan 0.000 0.424 53 I N 2.905 123.477 120.570 0.004 0.000 2.418 53 I HA 0.348 4.518 4.170 0.000 0.000 0.287 53 I C 0.359 176.457 176.117 -0.032 0.000 1.008 53 I CA -0.120 61.163 61.300 -0.028 0.000 1.104 53 I CB 1.898 39.863 38.000 -0.059 0.000 1.264 53 I HN 0.493 nan 8.210 nan 0.000 0.438 54 T N 5.656 120.191 114.554 -0.031 0.000 2.897 54 T HA 0.469 4.819 4.350 0.000 0.000 0.294 54 T C -0.009 174.663 174.700 -0.046 0.000 1.004 54 T CA -0.094 61.988 62.100 -0.031 0.000 1.106 54 T CB 1.165 70.023 68.868 -0.017 0.000 0.949 54 T HN 0.294 nan 8.240 nan 0.000 0.520 55 V N 5.161 125.048 119.914 -0.044 0.000 2.483 55 V HA 0.226 4.346 4.120 0.000 0.000 0.297 55 V C 1.248 177.344 176.094 0.004 0.000 1.027 55 V CA -0.843 61.426 62.300 -0.053 0.000 0.855 55 V CB 1.638 33.396 31.823 -0.109 0.000 0.995 55 V HN 0.991 nan 8.190 nan 0.000 0.424 56 E N 4.919 125.137 120.200 0.029 0.000 2.237 56 E HA -0.316 4.034 4.350 0.000 0.000 0.249 56 E C 0.465 177.095 176.600 0.050 0.000 1.035 56 E CA 2.575 59.004 56.400 0.048 0.000 0.992 56 E CB -0.395 29.349 29.700 0.075 0.000 0.899 56 E HN 0.668 nan 8.360 nan 0.000 0.525 57 N N 1.546 120.293 118.700 0.078 0.000 2.458 57 N HA 0.330 5.070 4.740 0.000 0.000 0.274 57 N C -0.198 175.363 175.510 0.086 0.000 1.242 57 N CA 0.634 53.724 53.050 0.067 0.000 0.904 57 N CB 0.973 39.498 38.487 0.062 0.000 1.206 57 N HN 0.391 nan 8.380 nan 0.000 0.510 58 G N -0.347 108.500 108.800 0.079 0.000 2.816 58 G HA2 0.278 4.238 3.960 0.000 0.000 0.288 58 G HA3 0.278 4.238 3.960 0.000 0.000 0.288 58 G C -0.740 174.176 174.900 0.027 0.000 1.334 58 G CA -0.497 44.655 45.100 0.087 0.000 0.978 58 G HN -0.010 nan 8.290 nan 0.000 0.493 59 K N 0.749 121.153 120.400 0.007 0.000 2.349 59 K HA 0.215 4.535 4.320 0.000 0.000 0.289 59 K C 0.062 176.631 176.600 -0.052 0.000 1.064 59 K CA -0.060 56.215 56.287 -0.019 0.000 0.947 59 K CB 0.046 32.533 32.500 -0.022 0.000 1.007 59 K HN 0.378 nan 8.250 nan 0.000 0.478 60 T N 5.167 119.700 114.554 -0.035 0.000 2.905 60 T HA 0.014 4.364 4.350 0.000 0.000 0.299 60 T C 0.502 175.177 174.700 -0.042 0.000 1.024 60 T CA 0.267 62.346 62.100 -0.035 0.000 1.151 60 T CB 0.014 68.873 68.868 -0.015 0.000 0.987 60 T HN 0.408 nan 8.240 nan 0.000 0.535 61 I N 3.596 124.142 120.570 -0.040 0.000 2.342 61 I HA 0.280 4.450 4.170 0.000 0.000 0.291 61 I C 0.520 176.678 176.117 0.067 0.000 1.010 61 I CA -0.277 61.011 61.300 -0.020 0.000 1.308 61 I CB 1.094 39.087 38.000 -0.013 0.000 1.400 61 I HN 0.496 nan 8.210 nan 0.000 0.488 62 Q N 5.437 125.268 119.800 0.051 0.000 2.340 62 Q HA 0.517 4.857 4.340 0.000 0.000 0.268 62 Q C -1.465 174.620 176.000 0.142 0.000 1.031 62 Q CA -0.454 55.418 55.803 0.115 0.000 0.804 62 Q CB 2.248 31.007 28.738 0.034 0.000 1.286 62 Q HN 0.485 nan 8.270 nan 0.000 0.448 63 F N 1.545 121.458 119.950 -0.062 0.000 2.332 63 F HA 0.475 5.003 4.527 0.000 0.000 0.368 63 F C 1.040 176.838 175.800 -0.004 0.000 1.110 63 F CA -0.865 57.105 58.000 -0.049 0.000 1.087 63 F CB 1.235 40.208 39.000 -0.045 0.000 1.235 63 F HN 0.617 nan 8.300 nan 0.000 0.470 64 G N 2.290 111.149 108.800 0.098 0.000 2.553 64 G HA2 0.137 4.097 3.960 0.000 0.000 0.278 64 G HA3 0.137 4.097 3.960 0.000 0.000 0.278 64 G C 0.587 175.543 174.900 0.093 0.000 1.349 64 G CA -0.277 44.867 45.100 0.074 0.000 1.037 64 G HN 0.605 nan 8.290 nan 0.000 0.508 65 E N -0.226 120.015 120.200 0.068 0.000 2.058 65 E HA -0.092 4.258 4.350 0.000 0.000 0.194 65 E C 2.395 179.038 176.600 0.072 0.000 0.997 65 E CA 1.398 57.843 56.400 0.074 0.000 0.801 65 E CB 0.075 29.805 29.700 0.049 0.000 0.746 65 E HN 0.460 nan 8.360 nan 0.000 0.450 66 E N -0.209 120.016 120.200 0.042 0.000 2.152 66 E HA -0.072 4.278 4.350 0.000 0.000 0.192 66 E C 2.002 178.622 176.600 0.033 0.000 0.983 66 E CA 0.608 57.026 56.400 0.030 0.000 0.818 66 E CB -0.172 29.531 29.700 0.004 0.000 0.758 66 E HN 0.323 nan 8.360 nan 0.000 0.467 67 M N -0.212 119.397 119.600 0.015 0.000 2.254 67 M HA -0.094 4.386 4.480 0.000 0.000 0.265 67 M C 2.108 178.494 176.300 0.144 0.000 1.066 67 M CA 0.785 56.075 55.300 -0.015 0.000 1.123 67 M CB 0.053 32.533 32.600 -0.199 0.000 1.388 67 M HN 0.048 nan 8.290 nan 0.000 0.425 68 M N 0.612 120.352 119.600 0.233 0.000 2.159 68 M HA -0.170 4.311 4.480 0.000 0.000 0.263 68 M C 1.670 178.131 176.300 0.267 0.000 1.063 68 M CA 1.936 57.435 55.300 0.332 0.000 1.110 68 M CB -0.240 32.535 32.600 0.291 0.000 1.374 68 M HN 0.025 nan 8.290 nan 0.000 0.411 69 K N -0.973 119.539 120.400 0.188 0.000 2.057 69 K HA -0.158 4.162 4.320 0.000 0.000 0.207 69 K C 2.227 178.926 176.600 0.166 0.000 1.049 69 K CA 1.437 57.827 56.287 0.170 0.000 0.931 69 K CB -0.271 32.287 32.500 0.097 0.000 0.714 69 K HN 0.324 nan 8.250 nan 0.000 0.440 70 R N 0.630 121.204 120.500 0.124 0.000 2.080 70 R HA -0.144 4.196 4.340 0.000 0.000 0.236 70 R C 2.184 178.571 176.300 0.146 0.000 1.137 70 R CA 1.625 57.785 56.100 0.100 0.000 0.943 70 R CB -0.291 30.032 30.300 0.038 0.000 0.846 70 R HN 0.211 nan 8.270 nan 0.000 0.431 71 A N 0.579 123.528 122.820 0.214 0.000 2.019 71 A HA -0.079 4.241 4.320 0.000 0.000 0.219 71 A C 1.935 179.689 177.584 0.285 0.000 1.164 71 A CA 1.037 53.253 52.037 0.299 0.000 0.644 71 A CB -0.247 19.048 19.000 0.491 0.000 0.805 71 A HN 0.358 nan 8.150 nan 0.000 0.449 72 L N -1.166 120.205 121.223 0.248 0.000 2.592 72 L HA 0.143 4.483 4.340 0.000 0.000 0.227 72 L C 0.839 177.784 176.870 0.123 0.000 1.127 72 L CA -0.127 54.800 54.840 0.146 0.000 0.884 72 L CB -0.031 42.176 42.059 0.248 0.000 1.065 72 L HN 0.442 nan 8.230 nan 0.000 0.457 73 Q N -0.812 119.092 119.800 0.172 0.000 2.297 73 Q HA 0.304 4.644 4.340 0.000 0.000 0.269 73 Q C -0.866 175.202 176.000 0.114 0.000 1.051 73 Q CA -0.622 55.277 55.803 0.159 0.000 0.869 73 Q CB 1.065 29.920 28.738 0.194 0.000 1.346 73 Q HN -0.011 nan 8.270 nan 0.000 0.457 74 Y N 0.588 120.987 120.300 0.164 0.000 2.607 74 Y HA 0.301 4.852 4.550 0.001 0.000 0.348 74 Y C 0.615 176.422 175.900 -0.155 0.000 1.261 74 Y CA 1.001 59.166 58.100 0.109 0.000 1.480 74 Y CB 0.635 39.189 38.460 0.157 0.000 1.358 74 Y HN 0.700 nan 8.280 nan 0.000 0.630 75 S N 0.362 115.845 115.700 -0.362 0.000 2.656 75 S HA 0.669 5.139 4.470 0.000 0.000 0.273 75 S C -3.189 171.222 174.600 -0.314 0.000 1.168 75 S CA -1.877 56.136 58.200 -0.313 0.000 0.817 75 S CB 1.743 64.769 63.200 -0.290 0.000 1.146 75 S HN 0.218 nan 8.310 nan 0.000 0.475 76 P HA 0.325 nan 4.420 nan 0.000 0.269 76 P C 0.543 177.851 177.300 0.012 0.000 1.209 76 P CA -0.170 62.904 63.100 -0.045 0.000 0.776 76 P CB 0.417 32.104 31.700 -0.022 0.000 0.876 77 S N 2.022 117.756 115.700 0.057 0.000 2.374 77 S HA -0.218 4.253 4.470 0.000 0.000 0.227 77 S C 1.809 176.457 174.600 0.081 0.000 1.037 77 S CA 1.793 60.052 58.200 0.099 0.000 1.024 77 S CB -0.810 62.429 63.200 0.066 0.000 0.861 77 S HN 0.645 nan 8.310 nan 0.000 0.456 78 A N 0.548 123.397 122.820 0.048 0.000 2.206 78 A HA 0.507 4.827 4.320 0.000 0.000 0.211 78 A C 1.059 178.668 177.584 0.042 0.000 1.158 78 A CA 0.816 52.877 52.037 0.039 0.000 0.761 78 A CB -0.615 18.398 19.000 0.022 0.000 0.801 78 A HN 0.863 nan 8.150 nan 0.000 0.473 79 G N -0.912 107.914 108.800 0.044 0.000 2.392 79 G HA2 0.181 4.141 3.960 0.000 0.000 0.677 79 G HA3 0.181 4.141 3.960 0.000 0.000 0.677 79 G C -0.263 174.642 174.900 0.008 0.000 1.334 79 G CA -0.533 44.589 45.100 0.037 0.000 0.961 79 G HN 1.177 nan 8.290 nan 0.000 0.616 80 I N -0.588 119.982 120.570 0.001 0.000 2.634 80 I HA 0.458 4.628 4.170 0.000 0.000 0.284 80 I C -0.704 175.409 176.117 -0.005 0.000 1.124 80 I CA -1.707 59.583 61.300 -0.016 0.000 1.417 80 I CB 1.346 39.330 38.000 -0.027 0.000 1.396 80 I HN 0.345 nan 8.210 nan 0.000 0.571 81 P HA -0.170 nan 4.420 nan 0.000 0.216 81 P C 1.027 178.342 177.300 0.024 0.000 1.150 81 P CA 1.546 64.648 63.100 0.002 0.000 0.837 81 P CB 0.195 31.891 31.700 -0.007 0.000 0.786 82 E N -0.307 119.901 120.200 0.013 0.000 2.110 82 E HA -0.138 4.212 4.350 0.000 0.000 0.193 82 E C 2.023 178.739 176.600 0.194 0.000 0.988 82 E CA 0.664 57.102 56.400 0.064 0.000 0.804 82 E CB -1.122 28.525 29.700 -0.087 0.000 0.745 82 E HN 0.122 nan 8.360 nan 0.000 0.458 83 L N 0.334 121.617 121.223 0.100 0.000 2.027 83 L HA -0.074 4.267 4.340 0.000 0.000 0.206 83 L C 1.915 178.825 176.870 0.067 0.000 1.074 83 L CA 1.514 56.404 54.840 0.082 0.000 0.745 83 L CB -0.495 41.571 42.059 0.012 0.000 0.898 83 L HN 0.170 nan 8.230 nan 0.000 0.433 84 L N -1.345 119.898 121.223 0.034 0.000 2.012 84 L HA -0.257 4.083 4.340 0.000 0.000 0.210 84 L C 2.710 179.587 176.870 0.013 0.000 1.073 84 L CA 1.739 56.581 54.840 0.003 0.000 0.748 84 L CB -0.783 41.279 42.059 0.005 0.000 0.891 84 L HN 0.374 nan 8.230 nan 0.000 0.431 85 S N -1.017 114.713 115.700 0.051 0.000 2.356 85 S HA -0.260 4.210 4.470 0.000 0.000 0.223 85 S C 1.745 176.371 174.600 0.044 0.000 1.032 85 S CA 1.285 59.511 58.200 0.045 0.000 1.005 85 S CB -0.448 62.797 63.200 0.076 0.000 0.867 85 S HN 0.501 nan 8.310 nan 0.000 0.449 86 W N 1.691 122.942 121.300 -0.081 0.000 2.335 86 W HA -0.077 4.583 4.660 0.000 0.000 0.311 86 W C 1.884 178.275 176.519 -0.213 0.000 1.213 86 W CA 1.582 58.810 57.345 -0.196 0.000 1.274 86 W CB -0.350 28.890 29.460 -0.367 0.000 1.148 86 W HN 0.297 nan 8.180 nan 0.000 0.498 87 L N 0.355 121.628 121.223 0.084 0.000 2.141 87 L HA -0.193 4.147 4.340 0.000 0.000 0.209 87 L C 2.447 179.214 176.870 -0.171 0.000 1.094 87 L CA 1.339 56.099 54.840 -0.133 0.000 0.763 87 L CB -0.815 40.994 42.059 -0.417 0.000 0.908 87 L HN -0.073 nan 8.230 nan 0.000 0.437 88 K N -0.468 119.859 120.400 -0.122 0.000 2.057 88 K HA -0.183 4.137 4.320 0.000 0.000 0.207 88 K C 2.253 178.767 176.600 -0.143 0.000 1.049 88 K CA 1.063 57.290 56.287 -0.100 0.000 0.931 88 K CB -0.091 32.365 32.500 -0.074 0.000 0.714 88 K HN 0.221 nan 8.250 nan 0.000 0.440 89 Q N 0.844 120.518 119.800 -0.210 0.000 2.079 89 Q HA -0.130 4.210 4.340 0.000 0.000 0.200 89 Q C 2.205 178.009 176.000 -0.326 0.000 0.974 89 Q CA 0.987 56.632 55.803 -0.263 0.000 0.840 89 Q CB -0.506 28.040 28.738 -0.320 0.000 0.898 89 Q HN 0.200 nan 8.270 nan 0.000 0.430 90 L N 1.389 122.334 121.223 -0.464 0.000 1.990 90 L HA -0.250 4.090 4.340 0.000 0.000 0.213 90 L C 2.185 178.955 176.870 -0.167 0.000 1.072 90 L CA 1.909 56.523 54.840 -0.376 0.000 0.755 90 L CB -0.637 41.179 42.059 -0.406 0.000 0.889 90 L HN 0.174 nan 8.230 nan 0.000 0.432 91 Q N -0.523 119.225 119.800 -0.088 0.000 2.135 91 Q HA -0.175 4.166 4.340 0.000 0.000 0.204 91 Q C 2.402 178.362 176.000 -0.066 0.000 0.981 91 Q CA 2.094 57.898 55.803 0.002 0.000 0.856 91 Q CB -0.371 28.428 28.738 0.101 0.000 0.902 91 Q HN 0.622 nan 8.270 nan 0.000 0.425 92 I N 0.656 121.169 120.570 -0.094 0.000 2.233 92 I HA -0.262 3.909 4.170 0.000 0.000 0.243 92 I C 2.427 178.485 176.117 -0.099 0.000 1.093 92 I CA 1.078 62.322 61.300 -0.092 0.000 1.380 92 I CB -0.218 37.719 38.000 -0.105 0.000 1.067 92 I HN 0.114 nan 8.210 nan 0.000 0.413 93 K N 1.713 122.038 120.400 -0.125 0.000 2.032 93 K HA -0.164 4.156 4.320 0.000 0.000 0.209 93 K C 1.862 178.397 176.600 -0.107 0.000 1.048 93 K CA 1.886 58.110 56.287 -0.105 0.000 0.927 93 K CB -0.460 31.967 32.500 -0.122 0.000 0.712 93 K HN 0.267 nan 8.250 nan 0.000 0.441 94 L N -1.284 119.820 121.223 -0.198 0.000 2.162 94 L HA -0.021 4.319 4.340 0.000 0.000 0.205 94 L C 1.678 178.343 176.870 -0.341 0.000 1.086 94 L CA 1.302 55.957 54.840 -0.308 0.000 0.778 94 L CB -0.225 41.490 42.059 -0.572 0.000 0.928 94 L HN 0.355 nan 8.230 nan 0.000 0.446 95 H N -3.091 115.963 119.070 -0.027 0.000 3.058 95 H HA 0.143 4.700 4.556 0.000 0.000 0.258 95 H C 0.244 175.535 175.328 -0.061 0.000 1.015 95 H CA -0.365 55.646 56.048 -0.061 0.000 1.210 95 H CB 0.447 30.145 29.762 -0.107 0.000 1.481 95 H HN 0.059 nan 8.280 nan 0.000 0.492 96 N N 1.860 120.570 118.700 0.016 0.000 2.678 96 N HA -0.107 4.633 4.740 0.000 0.000 0.268 96 N C -2.867 172.627 175.510 -0.027 0.000 1.010 96 N CA -0.075 52.967 53.050 -0.013 0.000 0.784 96 N CB -0.423 38.061 38.487 -0.004 0.000 0.905 96 N HN 0.239 nan 8.380 nan 0.000 0.552 97 P HA 0.165 nan 4.420 nan 0.000 0.276 97 P C -1.858 175.349 177.300 -0.154 0.000 1.230 97 P CA -1.254 61.791 63.100 -0.092 0.000 0.776 97 P CB 0.622 32.262 31.700 -0.100 0.000 0.888 98 P HA -0.112 nan 4.420 nan 0.000 0.226 98 P C 1.159 178.131 177.300 -0.546 0.000 1.153 98 P CA 1.302 64.296 63.100 -0.176 0.000 0.777 98 P CB -0.405 31.246 31.700 -0.082 0.000 0.794 99 T N -2.573 111.609 114.554 -0.619 0.000 3.085 99 T HA -0.061 4.290 4.350 0.000 0.000 0.263 99 T C 1.717 176.110 174.700 -0.511 0.000 1.127 99 T CA 0.386 61.966 62.100 -0.866 0.000 1.103 99 T CB -1.361 67.291 68.868 -0.360 0.000 0.921 99 T HN 0.232 nan 8.240 nan 0.000 0.510 100 I N -0.921 119.393 120.570 -0.426 0.000 2.423 100 I HA -0.157 4.013 4.170 0.000 0.000 0.254 100 I C 2.024 177.929 176.117 -0.353 0.000 1.151 100 I CA 1.418 62.486 61.300 -0.386 0.000 1.421 100 I CB -0.795 36.933 38.000 -0.454 0.000 1.079 100 I HN 0.179 nan 8.210 nan 0.000 0.431 101 H N -0.324 118.671 119.070 -0.126 0.000 2.539 101 H HA 0.215 4.772 4.556 0.000 0.000 0.269 101 H C -0.228 175.217 175.328 0.194 0.000 0.980 101 H CA 0.012 56.068 56.048 0.014 0.000 1.152 101 H CB -0.139 29.645 29.762 0.035 0.000 1.407 101 H HN 0.298 nan 8.280 nan 0.000 0.564 102 Y N 1.344 121.706 120.300 0.104 0.000 2.403 102 Y HA 0.298 4.848 4.550 0.000 0.000 0.323 102 Y C -1.724 174.213 175.900 0.062 0.000 1.226 102 Y CA -4.080 54.070 58.100 0.083 0.000 1.235 102 Y CB -0.174 38.334 38.460 0.079 0.000 1.248 102 Y HN -0.032 nan 8.280 nan 0.000 0.489 103 P HA 0.042 nan 4.420 nan 0.000 0.269 103 P C -2.133 175.252 177.300 0.142 0.000 1.217 103 P CA -0.971 62.209 63.100 0.135 0.000 0.783 103 P CB 0.261 32.014 31.700 0.089 0.000 0.898 104 P HA -0.199 nan 4.420 nan 0.000 0.215 104 P C 1.695 179.071 177.300 0.127 0.000 1.157 104 P CA 2.073 65.228 63.100 0.091 0.000 0.868 104 P CB -0.445 31.292 31.700 0.061 0.000 0.788 105 S N -1.013 114.763 115.700 0.127 0.000 2.419 105 S HA -0.195 4.275 4.470 0.000 0.000 0.235 105 S C 1.687 176.424 174.600 0.228 0.000 1.019 105 S CA 1.054 59.352 58.200 0.163 0.000 0.982 105 S CB -1.129 62.133 63.200 0.104 0.000 0.789 105 S HN 0.119 nan 8.310 nan 0.000 0.490 106 Q N 0.825 120.742 119.800 0.196 0.000 2.365 106 Q HA 0.301 4.641 4.340 0.000 0.000 0.203 106 Q C 1.217 177.432 176.000 0.358 0.000 0.929 106 Q CA 0.611 56.537 55.803 0.204 0.000 0.948 106 Q CB 0.089 28.872 28.738 0.075 0.000 1.043 106 Q HN 0.838 nan 8.270 nan 0.000 0.505 107 G N 1.413 110.430 108.800 0.362 0.000 2.130 107 G HA2 -0.282 3.678 3.960 0.000 0.000 0.216 107 G HA3 -0.282 3.678 3.960 0.000 0.000 0.216 107 G C 0.030 175.025 174.900 0.159 0.000 0.999 107 G CA 0.155 45.425 45.100 0.283 0.000 0.686 107 G HN 0.395 nan 8.290 nan 0.000 0.515 108 Q N 0.063 119.949 119.800 0.144 0.000 2.398 108 Q HA 0.192 4.532 4.340 0.000 0.000 0.329 108 Q C 1.151 177.139 176.000 -0.019 0.000 1.079 108 Q CA 0.077 55.912 55.803 0.054 0.000 1.041 108 Q CB 0.230 29.003 28.738 0.059 0.000 1.084 108 Q HN 0.562 nan 8.270 nan 0.000 0.386 109 M N 3.901 123.457 119.600 -0.072 0.000 2.290 109 M HA -0.086 4.395 4.480 0.000 0.000 0.356 109 M C -0.766 175.498 176.300 -0.060 0.000 1.448 109 M CA 1.009 56.261 55.300 -0.080 0.000 0.993 109 M CB 0.253 32.788 32.600 -0.109 0.000 1.934 109 M HN 0.719 nan 8.290 nan 0.000 0.461 110 D N 3.939 124.308 120.400 -0.053 0.000 2.552 110 D HA 0.691 5.331 4.640 0.000 0.000 0.239 110 D C -1.944 174.342 176.300 -0.024 0.000 1.139 110 D CA -0.453 53.524 54.000 -0.038 0.000 0.914 110 D CB 1.896 42.673 40.800 -0.037 0.000 1.461 110 D HN 0.672 nan 8.370 nan 0.000 0.462 111 L N 0.699 121.918 121.223 -0.007 0.000 2.393 111 L HA 0.694 5.034 4.340 0.000 0.000 0.260 111 L C -1.728 175.157 176.870 0.026 0.000 1.002 111 L CA -0.566 54.288 54.840 0.024 0.000 0.818 111 L CB 2.006 44.087 42.059 0.038 0.000 1.369 111 L HN 0.592 nan 8.230 nan 0.000 0.412 112 C N 3.564 122.894 119.300 0.050 0.000 2.516 112 C HA 0.628 5.088 4.460 0.000 0.000 0.338 112 C C -0.482 174.558 174.990 0.083 0.000 1.132 112 C CA -0.544 58.500 59.018 0.043 0.000 1.310 112 C CB 1.120 28.870 27.740 0.017 0.000 1.898 112 C HN 0.578 nan 8.230 nan 0.000 0.452 113 V N 6.446 126.405 119.914 0.075 0.000 2.572 113 V HA 0.449 4.570 4.120 0.000 0.000 0.291 113 V C 0.957 177.098 176.094 0.078 0.000 1.039 113 V CA 0.518 62.877 62.300 0.097 0.000 1.055 113 V CB 1.205 33.071 31.823 0.072 0.000 0.969 113 V HN 1.010 nan 8.190 nan 0.000 0.482 114 T N 0.921 115.518 114.554 0.072 0.000 2.930 114 T HA 0.401 4.752 4.350 0.000 0.000 0.290 114 T C -0.007 174.716 174.700 0.038 0.000 1.052 114 T CA -0.762 61.357 62.100 0.032 0.000 1.017 114 T CB 1.659 70.516 68.868 -0.017 0.000 1.137 114 T HN 0.415 nan 8.240 nan 0.000 0.511 115 S N 1.536 117.248 115.700 0.019 0.000 4.120 115 S HA 0.548 5.018 4.470 0.000 0.000 0.215 115 S C 0.932 175.540 174.600 0.014 0.000 1.347 115 S CA -0.006 58.208 58.200 0.023 0.000 0.889 115 S CB -1.167 62.036 63.200 0.006 0.000 1.585 115 S HN 1.514 nan 8.310 nan 0.000 0.447 116 G N 1.839 110.655 108.800 0.027 0.000 2.716 116 G HA2 -0.207 3.753 3.960 0.000 0.000 0.686 116 G HA3 -0.207 3.753 3.960 0.000 0.000 0.686 116 G C 0.646 175.527 174.900 -0.031 0.000 1.337 116 G CA -0.324 44.784 45.100 0.013 0.000 0.829 116 G HN 0.834 nan 8.290 nan 0.000 0.599 117 S N -0.325 115.335 115.700 -0.066 0.000 2.453 117 S HA -0.077 4.393 4.470 0.000 0.000 0.231 117 S C 1.918 176.452 174.600 -0.111 0.000 1.005 117 S CA 1.681 59.806 58.200 -0.126 0.000 0.949 117 S CB -0.060 63.027 63.200 -0.189 0.000 0.774 117 S HN 0.743 nan 8.310 nan 0.000 0.510 118 Q N 0.984 120.748 119.800 -0.061 0.000 2.170 118 Q HA -0.169 4.171 4.340 0.000 0.000 0.203 118 Q C 2.271 178.220 176.000 -0.085 0.000 0.976 118 Q CA 1.434 57.211 55.803 -0.044 0.000 0.858 118 Q CB -0.410 28.346 28.738 0.029 0.000 0.907 118 Q HN 0.796 nan 8.270 nan 0.000 0.433 119 Q N 0.042 119.795 119.800 -0.078 0.000 2.079 119 Q HA -0.121 4.219 4.340 0.000 0.000 0.200 119 Q C 2.021 177.935 176.000 -0.143 0.000 0.974 119 Q CA 1.485 57.230 55.803 -0.097 0.000 0.840 119 Q CB -0.187 28.507 28.738 -0.073 0.000 0.898 119 Q HN 0.422 nan 8.270 nan 0.000 0.430 120 G N 1.110 109.823 108.800 -0.144 0.000 2.418 120 G HA2 -0.255 3.705 3.960 0.000 0.000 0.217 120 G HA3 -0.255 3.705 3.960 0.000 0.000 0.217 120 G C 1.343 176.094 174.900 -0.248 0.000 1.158 120 G CA 0.713 45.713 45.100 -0.167 0.000 0.771 120 G HN 0.329 nan 8.290 nan 0.000 0.545 121 L N 0.461 121.500 121.223 -0.306 0.000 2.017 121 L HA -0.026 4.315 4.340 0.000 0.000 0.208 121 L C 2.912 179.338 176.870 -0.741 0.000 1.073 121 L CA 1.717 56.230 54.840 -0.545 0.000 0.745 121 L CB -0.895 40.878 42.059 -0.475 0.000 0.894 121 L HN 0.316 nan 8.230 nan 0.000 0.432 122 C N -0.164 118.884 119.300 -0.419 0.000 2.398 122 C HA -0.221 4.239 4.460 0.000 0.000 0.276 122 C C 2.845 177.750 174.990 -0.141 0.000 1.222 122 C CA 1.310 60.201 59.018 -0.213 0.000 1.746 122 C CB -0.840 26.842 27.740 -0.097 0.000 2.039 122 C HN 0.505 nan 8.230 nan 0.000 0.470 123 K N -0.149 120.144 120.400 -0.179 0.000 2.147 123 K HA -0.101 4.220 4.320 0.000 0.000 0.205 123 K C 1.880 178.451 176.600 -0.049 0.000 1.049 123 K CA 1.443 57.656 56.287 -0.123 0.000 0.936 123 K CB -0.211 32.180 32.500 -0.183 0.000 0.722 123 K HN 0.467 nan 8.250 nan 0.000 0.446 124 V N 0.925 120.744 119.914 -0.158 0.000 2.307 124 V HA -0.223 3.897 4.120 0.000 0.000 0.245 124 V C 2.016 178.110 176.094 0.000 0.000 1.045 124 V CA 1.628 63.844 62.300 -0.141 0.000 1.024 124 V CB -0.485 31.164 31.823 -0.290 0.000 0.651 124 V HN 0.131 nan 8.190 nan 0.000 0.449 125 F N 0.803 120.717 119.950 -0.061 0.000 2.134 125 F HA -0.141 4.386 4.527 0.000 0.000 0.299 125 F C 2.479 178.322 175.800 0.071 0.000 1.097 125 F CA 1.356 59.361 58.000 0.008 0.000 1.264 125 F CB -1.081 37.922 39.000 0.005 0.000 1.001 125 F HN 0.256 nan 8.300 nan 0.000 0.479 126 E N -0.261 120.089 120.200 0.250 0.000 2.110 126 E HA -0.251 4.099 4.350 0.000 0.000 0.193 126 E C 2.260 178.965 176.600 0.175 0.000 0.988 126 E CA 1.177 57.694 56.400 0.196 0.000 0.804 126 E CB -0.325 29.494 29.700 0.198 0.000 0.745 126 E HN 0.365 nan 8.360 nan 0.000 0.458 127 M N 0.287 119.987 119.600 0.166 0.000 2.202 127 M HA -0.197 4.283 4.480 0.000 0.000 0.262 127 M C 1.631 178.028 176.300 0.161 0.000 1.063 127 M CA 1.662 57.047 55.300 0.142 0.000 1.097 127 M CB 0.099 32.766 32.600 0.112 0.000 1.382 127 M HN 0.096 nan 8.290 nan 0.000 0.413 128 I N -0.502 120.194 120.570 0.211 0.000 3.172 128 I HA 0.036 4.207 4.170 0.000 0.000 0.278 128 I C 0.285 176.539 176.117 0.228 0.000 1.174 128 I CA -0.249 61.211 61.300 0.267 0.000 1.445 128 I CB 0.462 38.694 38.000 0.387 0.000 1.175 128 I HN 0.062 nan 8.210 nan 0.000 0.447 129 I N 2.578 123.275 120.570 0.212 0.000 2.337 129 I HA 0.112 4.282 4.170 0.000 0.000 0.291 129 I C -0.315 175.847 176.117 0.075 0.000 1.046 129 I CA 0.118 61.499 61.300 0.135 0.000 1.324 129 I CB -0.269 37.803 38.000 0.120 0.000 1.409 129 I HN 0.187 nan 8.210 nan 0.000 0.494 130 N N 7.903 126.629 118.700 0.043 0.000 2.509 130 N HA 0.365 5.105 4.740 0.000 0.000 0.287 130 N C -2.540 172.966 175.510 -0.007 0.000 1.121 130 N CA -1.283 51.777 53.050 0.016 0.000 0.977 130 N CB 0.655 39.147 38.487 0.008 0.000 1.167 130 N HN 0.314 nan 8.380 nan 0.000 0.476 131 P HA 0.003 nan 4.420 nan 0.000 0.264 131 P C 0.818 178.102 177.300 -0.027 0.000 1.183 131 P CA 0.897 63.980 63.100 -0.028 0.000 0.763 131 P CB 0.461 32.145 31.700 -0.026 0.000 0.807 132 G N 1.700 110.480 108.800 -0.034 0.000 2.225 132 G HA2 -0.220 3.740 3.960 0.000 0.000 0.254 132 G HA3 -0.220 3.740 3.960 0.000 0.000 0.254 132 G C 0.106 174.985 174.900 -0.035 0.000 0.988 132 G CA -0.140 44.943 45.100 -0.028 0.000 0.625 132 G HN 0.504 nan 8.290 nan 0.000 0.527 133 D N 0.876 121.245 120.400 -0.051 0.000 2.423 133 D HA 0.315 4.956 4.640 0.000 0.000 0.238 133 D C 0.687 176.918 176.300 -0.116 0.000 1.142 133 D CA 0.267 54.220 54.000 -0.079 0.000 0.884 133 D CB 0.255 41.010 40.800 -0.075 0.000 1.199 133 D HN 0.511 nan 8.370 nan 0.000 0.438 134 N N -0.204 118.410 118.700 -0.144 0.000 2.438 134 N HA 0.463 5.203 4.740 0.000 0.000 0.282 134 N C -0.713 174.609 175.510 -0.313 0.000 1.037 134 N CA -0.700 52.254 53.050 -0.160 0.000 0.942 134 N CB 1.636 40.079 38.487 -0.072 0.000 1.136 134 N HN 0.168 nan 8.380 nan 0.000 0.481 135 V N 0.190 119.893 119.914 -0.351 0.000 3.007 135 V HA 0.645 4.766 4.120 0.000 0.000 0.311 135 V C -1.213 174.657 176.094 -0.373 0.000 1.120 135 V CA -0.959 60.993 62.300 -0.581 0.000 0.980 135 V CB 1.652 32.884 31.823 -0.985 0.000 1.033 135 V HN 0.428 nan 8.190 nan 0.000 0.429 136 L N 4.658 125.660 121.223 -0.367 0.000 2.322 136 L HA 0.893 5.233 4.340 0.000 0.000 0.281 136 L C -0.829 176.030 176.870 -0.019 0.000 1.014 136 L CA -0.658 54.066 54.840 -0.192 0.000 0.815 136 L CB 1.624 43.514 42.059 -0.282 0.000 1.247 136 L HN 0.834 nan 8.230 nan 0.000 0.421 137 L N -0.029 121.208 121.223 0.022 0.000 2.622 137 L HA 0.625 4.965 4.340 0.000 0.000 0.258 137 L C -1.497 175.418 176.870 0.074 0.000 0.996 137 L CA -0.977 53.936 54.840 0.121 0.000 0.858 137 L CB 1.581 43.775 42.059 0.225 0.000 1.449 137 L HN 0.461 nan 8.230 nan 0.000 0.411 138 D N -0.249 120.202 120.400 0.085 0.000 2.249 138 D HA 0.327 4.967 4.640 0.000 0.000 0.246 138 D C -0.620 175.692 176.300 0.019 0.000 1.114 138 D CA -0.183 53.845 54.000 0.047 0.000 0.854 138 D CB 1.529 42.352 40.800 0.038 0.000 1.132 138 D HN 0.739 nan 8.370 nan 0.000 0.461 139 E N 1.869 122.066 120.200 -0.004 0.000 2.277 139 E HA 0.287 4.638 4.350 0.000 0.000 0.274 139 E C -2.044 174.465 176.600 -0.151 0.000 1.022 139 E CA -1.873 54.465 56.400 -0.102 0.000 0.853 139 E CB 1.078 30.765 29.700 -0.021 0.000 1.086 139 E HN 0.380 nan 8.360 nan 0.000 0.397 140 P HA 0.102 nan 4.420 nan 0.000 0.271 140 P C -1.344 175.743 177.300 -0.353 0.000 1.216 140 P CA -0.069 62.635 63.100 -0.660 0.000 0.776 140 P CB 1.039 32.203 31.700 -0.894 0.000 0.881 141 A N 3.155 125.865 122.820 -0.184 0.000 2.430 141 A HA 0.461 4.781 4.320 0.000 0.000 0.300 141 A C -1.101 176.590 177.584 0.178 0.000 1.124 141 A CA -0.787 51.263 52.037 0.023 0.000 0.766 141 A CB 0.680 19.726 19.000 0.076 0.000 1.328 141 A HN 0.510 nan 8.150 nan 0.000 0.424 142 Y N 1.932 122.311 120.300 0.133 0.000 2.721 142 Y HA 0.138 4.688 4.550 0.000 0.000 0.329 142 Y C 1.694 177.675 175.900 0.136 0.000 1.211 142 Y CA 0.315 58.536 58.100 0.200 0.000 1.512 142 Y CB 0.602 39.172 38.460 0.185 0.000 1.249 142 Y HN 0.798 nan 8.280 nan 0.000 0.549 143 S N 3.166 118.748 115.700 -0.198 0.000 2.383 143 S HA -0.183 4.287 4.470 0.000 0.000 0.229 143 S C 2.129 176.371 174.600 -0.596 0.000 1.030 143 S CA 1.083 59.012 58.200 -0.451 0.000 1.002 143 S CB -1.209 61.643 63.200 -0.579 0.000 0.829 143 S HN 0.922 nan 8.310 nan 0.000 0.467 144 G N 1.417 109.505 108.800 -1.188 0.000 2.440 144 G HA2 -0.165 3.795 3.960 0.000 0.000 0.218 144 G HA3 -0.165 3.795 3.960 0.000 0.000 0.218 144 G C 1.491 176.154 174.900 -0.396 0.000 1.154 144 G CA 1.449 46.041 45.100 -0.847 0.000 0.767 144 G HN 0.545 nan 8.290 nan 0.000 0.552 145 T N 1.418 115.781 114.554 -0.318 0.000 2.720 145 T HA -0.056 4.294 4.350 0.000 0.000 0.268 145 T C 2.429 177.033 174.700 -0.160 0.000 1.037 145 T CA 0.998 63.049 62.100 -0.081 0.000 1.144 145 T CB -0.228 68.576 68.868 -0.106 0.000 0.864 145 T HN 0.162 nan 8.240 nan 0.000 0.444 146 L N 0.803 121.915 121.223 -0.185 0.000 2.042 146 L HA -0.142 4.198 4.340 0.000 0.000 0.210 146 L C 2.910 179.718 176.870 -0.103 0.000 1.076 146 L CA 1.154 55.907 54.840 -0.146 0.000 0.749 146 L CB -0.563 41.414 42.059 -0.137 0.000 0.893 146 L HN 0.205 nan 8.230 nan 0.000 0.432 147 Q N -0.992 118.734 119.800 -0.124 0.000 2.369 147 Q HA -0.115 4.225 4.340 0.000 0.000 0.206 147 Q C 2.369 178.373 176.000 0.006 0.000 0.963 147 Q CA 1.253 57.020 55.803 -0.061 0.000 0.894 147 Q CB -0.146 28.533 28.738 -0.098 0.000 0.965 147 Q HN 0.387 nan 8.270 nan 0.000 0.475 148 S N -0.150 115.546 115.700 -0.007 0.000 2.406 148 S HA 0.057 4.527 4.470 0.000 0.000 0.224 148 S C 1.872 176.481 174.600 0.015 0.000 1.030 148 S CA 0.151 58.384 58.200 0.054 0.000 0.958 148 S CB 0.117 63.410 63.200 0.155 0.000 0.811 148 S HN 0.282 nan 8.310 nan 0.000 0.489 149 L N 1.096 122.263 121.223 -0.093 0.000 2.109 149 L HA -0.029 4.311 4.340 0.000 0.000 0.207 149 L C 2.669 179.495 176.870 -0.073 0.000 1.086 149 L CA 1.435 56.169 54.840 -0.176 0.000 0.760 149 L CB -0.800 41.073 42.059 -0.310 0.000 0.910 149 L HN 0.523 nan 8.230 nan 0.000 0.437 150 H N 1.689 120.697 119.070 -0.102 0.000 2.289 150 H HA -0.148 4.408 4.556 0.000 0.000 0.296 150 H C -0.621 174.678 175.328 -0.048 0.000 1.091 150 H CA 2.063 58.068 56.048 -0.072 0.000 1.274 150 H CB -0.982 28.741 29.762 -0.065 0.000 1.364 150 H HN 0.197 nan 8.280 nan 0.000 0.490 151 P HA -0.049 nan 4.420 nan 0.000 0.226 151 P C 1.737 178.933 177.300 -0.173 0.000 1.153 151 P CA 0.639 63.562 63.100 -0.296 0.000 0.777 151 P CB -0.225 31.416 31.700 -0.098 0.000 0.794 152 L N -1.261 119.894 121.223 -0.112 0.000 2.376 152 L HA 0.081 4.421 4.340 0.000 0.000 0.219 152 L C 1.704 178.525 176.870 -0.081 0.000 1.133 152 L CA 1.036 55.837 54.840 -0.065 0.000 0.816 152 L CB -1.240 40.805 42.059 -0.022 0.000 0.933 152 L HN 0.129 nan 8.230 nan 0.000 0.449 153 G N 0.109 108.835 108.800 -0.123 0.000 2.136 153 G HA2 -0.288 3.672 3.960 0.000 0.000 0.242 153 G HA3 -0.288 3.672 3.960 0.000 0.000 0.242 153 G C 0.371 175.225 174.900 -0.076 0.000 0.989 153 G CA 0.093 45.131 45.100 -0.102 0.000 0.682 153 G HN 0.474 nan 8.290 nan 0.000 0.522 154 C N -0.635 118.613 119.300 -0.085 0.000 2.443 154 C HA 0.751 5.212 4.460 0.000 0.000 0.369 154 C C 0.580 175.519 174.990 -0.085 0.000 1.241 154 C CA -1.523 57.440 59.018 -0.092 0.000 2.413 154 C CB 0.355 28.016 27.740 -0.132 0.000 2.451 154 C HN 0.492 nan 8.230 nan 0.000 0.595 155 N N 0.614 119.267 118.700 -0.079 0.000 2.444 155 N HA 0.504 5.244 4.740 0.000 0.000 0.271 155 N C -0.825 174.629 175.510 -0.093 0.000 1.069 155 N CA -0.206 52.807 53.050 -0.061 0.000 0.965 155 N CB 0.679 39.147 38.487 -0.032 0.000 1.092 155 N HN 0.610 nan 8.380 nan 0.000 0.476 156 I N 3.042 123.565 120.570 -0.078 0.000 2.325 156 I HA 0.222 4.392 4.170 0.000 0.000 0.291 156 I C -0.255 175.828 176.117 -0.057 0.000 1.019 156 I CA -0.412 60.834 61.300 -0.091 0.000 1.302 156 I CB 0.607 38.564 38.000 -0.073 0.000 1.401 156 I HN 0.383 nan 8.210 nan 0.000 0.485 157 I N 6.289 126.817 120.570 -0.069 0.000 2.328 157 I HA 0.177 4.347 4.170 0.000 0.000 0.287 157 I C 0.094 176.194 176.117 -0.029 0.000 1.012 157 I CA -0.536 60.740 61.300 -0.040 0.000 1.195 157 I CB 1.095 39.073 38.000 -0.037 0.000 1.350 157 I HN 0.515 nan 8.210 nan 0.000 0.464 158 N N 5.934 124.633 118.700 -0.001 0.000 2.452 158 N HA 0.186 4.926 4.740 0.000 0.000 0.266 158 N C -0.916 174.606 175.510 0.019 0.000 1.175 158 N CA -0.024 53.039 53.050 0.020 0.000 0.945 158 N CB 0.840 39.355 38.487 0.048 0.000 1.063 158 N HN 0.278 nan 8.380 nan 0.000 0.472 159 V N 2.662 122.589 119.914 0.023 0.000 2.427 159 V HA 0.588 4.708 4.120 0.000 0.000 0.286 159 V C 0.613 176.733 176.094 0.044 0.000 1.034 159 V CA -1.170 61.146 62.300 0.027 0.000 0.893 159 V CB 0.954 32.792 31.823 0.025 0.000 0.982 159 V HN 0.876 nan 8.190 nan 0.000 0.452 160 A N 4.405 127.253 122.820 0.048 0.000 2.483 160 A HA 0.583 4.904 4.320 0.000 0.000 0.238 160 A C 0.581 178.199 177.584 0.057 0.000 1.070 160 A CA 0.320 52.393 52.037 0.059 0.000 0.770 160 A CB 0.076 19.111 19.000 0.059 0.000 1.008 160 A HN 1.192 nan 8.150 nan 0.000 0.497 161 S N 0.738 116.474 115.700 0.060 0.000 2.661 161 S HA 0.862 5.332 4.470 0.000 0.000 0.285 161 S C -0.989 173.647 174.600 0.059 0.000 1.138 161 S CA -0.140 58.090 58.200 0.049 0.000 0.855 161 S CB 2.071 65.288 63.200 0.028 0.000 1.136 161 S HN 1.032 nan 8.310 nan 0.000 0.484 162 D N -1.470 118.953 120.400 0.038 0.000 2.946 162 D HA 0.201 4.841 4.640 0.000 0.000 0.337 162 D C 0.615 176.888 176.300 -0.045 0.000 1.332 162 D CA -0.485 53.532 54.000 0.029 0.000 0.935 162 D CB -0.285 40.531 40.800 0.028 0.000 1.440 162 D HN 0.476 nan 8.370 nan 0.000 0.540 163 E N -0.105 119.988 120.200 -0.180 0.000 2.455 163 E HA -0.081 4.269 4.350 0.000 0.000 0.202 163 E C 0.169 176.697 176.600 -0.120 0.000 1.045 163 E CA 0.857 57.078 56.400 -0.299 0.000 0.872 163 E CB -0.478 28.802 29.700 -0.700 0.000 0.792 163 E HN 0.245 nan 8.360 nan 0.000 0.542 164 S N 0.093 115.755 115.700 -0.062 0.000 2.664 164 S HA 0.490 4.960 4.470 0.000 0.000 0.245 164 S C 0.586 175.185 174.600 -0.001 0.000 1.019 164 S CA -0.013 58.173 58.200 -0.024 0.000 0.996 164 S CB 0.766 63.959 63.200 -0.013 0.000 0.878 164 S HN 0.727 nan 8.310 nan 0.000 0.493 165 G N 2.112 110.911 108.800 -0.001 0.000 2.508 165 G HA2 -0.212 3.748 3.960 0.000 0.000 0.220 165 G HA3 -0.212 3.748 3.960 0.000 0.000 0.220 165 G C -0.372 174.550 174.900 0.035 0.000 1.287 165 G CA -0.825 44.285 45.100 0.017 0.000 0.916 165 G HN 0.356 nan 8.290 nan 0.000 0.574 166 I N 0.862 121.468 120.570 0.059 0.000 2.821 166 I HA 0.124 4.294 4.170 0.000 0.000 0.294 166 I C 0.971 177.132 176.117 0.073 0.000 1.210 166 I CA 0.124 61.468 61.300 0.073 0.000 1.430 166 I CB 0.543 38.607 38.000 0.106 0.000 1.356 166 I HN 0.361 nan 8.210 nan 0.000 0.563 167 V N 9.616 129.568 119.914 0.065 0.000 2.389 167 V HA 0.089 4.209 4.120 0.000 0.000 0.264 167 V C -1.441 174.697 176.094 0.073 0.000 1.049 167 V CA -1.043 61.294 62.300 0.062 0.000 0.932 167 V CB 0.871 32.727 31.823 0.053 0.000 1.011 167 V HN 0.674 nan 8.190 nan 0.000 0.475 168 P HA -0.086 nan 4.420 nan 0.000 0.218 168 P C 1.062 178.412 177.300 0.085 0.000 1.149 168 P CA 0.948 64.108 63.100 0.099 0.000 0.817 168 P CB 0.372 32.135 31.700 0.105 0.000 0.785 169 D N -1.306 119.135 120.400 0.069 0.000 2.123 169 D HA -0.157 4.483 4.640 0.000 0.000 0.196 169 D C 2.124 178.454 176.300 0.050 0.000 0.992 169 D CA 1.412 55.447 54.000 0.059 0.000 0.833 169 D CB -0.455 40.375 40.800 0.050 0.000 0.954 169 D HN 0.028 nan 8.370 nan 0.000 0.455 170 S N -0.610 115.119 115.700 0.048 0.000 2.382 170 S HA -0.131 4.339 4.470 0.000 0.000 0.228 170 S C 1.836 176.454 174.600 0.029 0.000 1.027 170 S CA 0.581 58.803 58.200 0.037 0.000 0.991 170 S CB -0.266 62.959 63.200 0.041 0.000 0.823 170 S HN 0.220 nan 8.310 nan 0.000 0.469 171 L N 2.103 123.353 121.223 0.045 0.000 2.056 171 L HA 0.131 4.471 4.340 0.000 0.000 0.207 171 L C 2.500 179.385 176.870 0.025 0.000 1.078 171 L CA 1.993 56.857 54.840 0.040 0.000 0.749 171 L CB -0.933 41.178 42.059 0.087 0.000 0.901 171 L HN 0.321 nan 8.230 nan 0.000 0.433 172 R N -0.573 119.960 120.500 0.055 0.000 2.083 172 R HA -0.241 4.099 4.340 0.000 0.000 0.237 172 R C 2.106 178.415 176.300 0.016 0.000 1.137 172 R CA 2.110 58.246 56.100 0.060 0.000 0.951 172 R CB -0.460 29.896 30.300 0.093 0.000 0.851 172 R HN 0.555 nan 8.270 nan 0.000 0.434 173 D N -0.275 120.133 120.400 0.013 0.000 2.117 173 D HA -0.128 4.512 4.640 0.000 0.000 0.198 173 D C 1.846 178.120 176.300 -0.043 0.000 0.982 173 D CA 1.326 55.322 54.000 -0.006 0.000 0.828 173 D CB 0.032 40.834 40.800 0.003 0.000 0.967 173 D HN 0.300 nan 8.370 nan 0.000 0.464 174 I N 0.002 120.545 120.570 -0.045 0.000 2.226 174 I HA -0.231 3.939 4.170 0.000 0.000 0.245 174 I C 2.204 178.263 176.117 -0.097 0.000 1.100 174 I CA 0.825 62.086 61.300 -0.066 0.000 1.374 174 I CB -0.141 37.835 38.000 -0.040 0.000 1.057 174 I HN 0.116 nan 8.210 nan 0.000 0.413 175 L N 0.140 121.283 121.223 -0.134 0.000 2.291 175 L HA -0.124 4.216 4.340 0.000 0.000 0.214 175 L C 2.564 179.301 176.870 -0.222 0.000 1.120 175 L CA 1.067 55.763 54.840 -0.240 0.000 0.799 175 L CB -0.637 40.941 42.059 -0.801 0.000 0.925 175 L HN 0.350 nan 8.230 nan 0.000 0.446 176 S N 0.550 116.173 115.700 -0.128 0.000 2.528 176 S HA -0.224 4.246 4.470 0.000 0.000 0.244 176 S C 1.974 176.521 174.600 -0.087 0.000 0.982 176 S CA 0.906 59.109 58.200 0.005 0.000 0.953 176 S CB -0.578 62.636 63.200 0.023 0.000 0.754 176 S HN 0.594 nan 8.310 nan 0.000 0.529 177 R N -0.149 120.165 120.500 -0.310 0.000 2.235 177 R HA 0.042 4.382 4.340 0.000 0.000 0.213 177 R C -0.185 175.728 176.300 -0.646 0.000 1.059 177 R CA 0.372 56.142 56.100 -0.550 0.000 0.997 177 R CB -0.196 29.648 30.300 -0.760 0.000 0.884 177 R HN 0.589 nan 8.270 nan 0.000 0.462 178 W N 1.331 122.660 121.300 0.047 0.000 2.703 178 W HA 0.477 5.138 4.660 0.000 0.000 0.359 178 W C -0.367 176.283 176.519 0.217 0.000 1.168 178 W CA -1.284 56.132 57.345 0.118 0.000 1.177 178 W CB 0.741 30.289 29.460 0.147 0.000 1.434 178 W HN -0.353 nan 8.180 nan 0.000 0.618 179 K N 0.896 121.559 120.400 0.437 0.000 2.110 179 K HA 0.237 4.557 4.320 0.000 0.000 0.263 179 K C -1.888 174.875 176.600 0.271 0.000 0.975 179 K CA -1.463 54.996 56.287 0.287 0.000 0.895 179 K CB 1.418 34.011 32.500 0.155 0.000 1.060 179 K HN -0.035 nan 8.250 nan 0.000 0.448 180 P HA -0.244 nan 4.420 nan 0.000 0.217 180 P C 0.620 177.891 177.300 -0.048 0.000 1.148 180 P CA 1.308 64.290 63.100 -0.196 0.000 0.828 180 P CB 0.185 31.642 31.700 -0.405 0.000 0.783 181 E N -0.693 119.500 120.200 -0.011 0.000 2.409 181 E HA -0.155 4.195 4.350 0.000 0.000 0.198 181 E C 0.892 177.502 176.600 0.017 0.000 1.024 181 E CA 0.874 57.271 56.400 -0.005 0.000 0.861 181 E CB -0.933 28.767 29.700 0.001 0.000 0.788 181 E HN 0.323 nan 8.360 nan 0.000 0.521 182 D N 1.541 121.978 120.400 0.061 0.000 2.269 182 D HA 0.014 4.654 4.640 0.000 0.000 0.208 182 D C 1.861 178.156 176.300 -0.009 0.000 0.963 182 D CA 1.122 55.158 54.000 0.061 0.000 0.864 182 D CB -0.037 40.860 40.800 0.162 0.000 0.936 182 D HN 0.270 nan 8.370 nan 0.000 0.505 183 A N 1.228 124.039 122.820 -0.015 0.000 1.883 183 A HA -0.202 4.118 4.320 0.000 0.000 0.217 183 A C 1.966 179.490 177.584 -0.099 0.000 1.186 183 A CA 1.390 53.394 52.037 -0.055 0.000 0.624 183 A CB -0.290 18.708 19.000 -0.003 0.000 0.822 183 A HN 0.128 nan 8.150 nan 0.000 0.444 184 K N -0.376 119.975 120.400 -0.082 0.000 2.404 184 K HA 0.032 4.352 4.320 0.000 0.000 0.194 184 K C 0.126 176.675 176.600 -0.086 0.000 1.023 184 K CA -0.189 56.036 56.287 -0.103 0.000 1.094 184 K CB 0.015 32.464 32.500 -0.084 0.000 0.841 184 K HN 0.363 nan 8.250 nan 0.000 0.523 185 N N 2.108 120.770 118.700 -0.064 0.000 2.401 185 N HA 0.043 4.784 4.740 0.000 0.000 0.255 185 N C -2.127 173.348 175.510 -0.059 0.000 1.110 185 N CA -1.944 51.079 53.050 -0.045 0.000 0.949 185 N CB 1.326 39.804 38.487 -0.016 0.000 1.110 185 N HN -0.140 nan 8.380 nan 0.000 0.490 186 P HA -0.035 nan 4.420 nan 0.000 0.230 186 P C 0.385 177.658 177.300 -0.045 0.000 1.158 186 P CA 0.920 63.981 63.100 -0.065 0.000 0.769 186 P CB 0.424 32.091 31.700 -0.055 0.000 0.807 187 Q N -0.860 118.925 119.800 -0.025 0.000 2.319 187 Q HA 0.129 4.469 4.340 0.000 0.000 0.202 187 Q C 0.222 176.230 176.000 0.013 0.000 0.896 187 Q CA 0.488 56.287 55.803 -0.006 0.000 0.942 187 Q CB 0.358 29.098 28.738 0.003 0.000 1.083 187 Q HN 0.274 nan 8.270 nan 0.000 0.510 188 K N 1.359 121.760 120.400 0.002 0.000 2.274 188 K HA 0.219 4.539 4.320 0.000 0.000 0.262 188 K C -0.226 176.343 176.600 -0.052 0.000 0.961 188 K CA -0.564 55.745 56.287 0.037 0.000 0.833 188 K CB 1.146 33.687 32.500 0.069 0.000 1.102 188 K HN -0.173 nan 8.250 nan 0.000 0.436 189 N N 2.344 121.038 118.700 -0.010 0.000 3.243 189 N HA -0.030 4.710 4.740 0.000 0.000 0.310 189 N C -0.576 174.627 175.510 -0.513 0.000 1.313 189 N CA 0.018 52.996 53.050 -0.119 0.000 1.204 189 N CB -0.085 38.422 38.487 0.033 0.000 1.483 189 N HN 0.510 nan 8.380 nan 0.000 0.553 190 T N -1.259 112.852 114.554 -0.738 0.000 2.900 190 T HA 0.260 4.611 4.350 0.000 0.000 0.307 190 T C -2.353 171.956 174.700 -0.652 0.000 1.065 190 T CA -1.431 59.954 62.100 -1.193 0.000 1.105 190 T CB 0.551 68.995 68.868 -0.707 0.000 0.979 190 T HN 0.106 nan 8.240 nan 0.000 0.544 191 P HA 0.089 nan 4.420 nan 0.000 0.262 191 P C 0.743 177.947 177.300 -0.160 0.000 1.182 191 P CA -0.265 62.607 63.100 -0.380 0.000 0.761 191 P CB 0.491 31.896 31.700 -0.492 0.000 0.795 192 K N 2.556 122.875 120.400 -0.135 0.000 2.076 192 K HA 0.049 4.369 4.320 0.000 0.000 0.204 192 K C 0.847 177.640 176.600 0.321 0.000 1.051 192 K CA 1.425 57.817 56.287 0.175 0.000 0.949 192 K CB -0.235 32.353 32.500 0.147 0.000 0.726 192 K HN 0.619 nan 8.250 nan 0.000 0.443 193 F N -1.870 118.112 119.950 0.054 0.000 2.713 193 F HA 0.492 5.019 4.527 0.000 0.000 0.311 193 F C -1.445 174.274 175.800 -0.135 0.000 1.141 193 F CA -1.973 56.058 58.000 0.052 0.000 0.939 193 F CB 0.561 39.620 39.000 0.099 0.000 1.325 193 F HN -0.264 nan 8.300 nan 0.000 0.453 194 L N 2.896 124.285 121.223 0.276 0.000 2.296 194 L HA 0.561 4.901 4.340 0.000 0.000 0.286 194 L C -1.532 175.578 176.870 0.401 0.000 1.023 194 L CA -0.749 54.197 54.840 0.177 0.000 0.812 194 L CB 1.269 43.382 42.059 0.091 0.000 1.223 194 L HN 0.740 nan 8.230 nan 0.000 0.421 195 Y N 4.156 124.642 120.300 0.310 0.000 2.342 195 Y HA 0.674 5.224 4.550 0.000 0.000 0.334 195 Y C -0.424 175.551 175.900 0.126 0.000 1.067 195 Y CA -0.021 58.214 58.100 0.224 0.000 1.128 195 Y CB 1.449 40.105 38.460 0.327 0.000 1.200 195 Y HN 0.759 nan 8.280 nan 0.000 0.464 196 T N 5.060 119.204 114.554 -0.684 0.000 2.932 196 T HA 0.455 4.806 4.350 0.000 0.000 0.318 196 T C -2.082 172.298 174.700 -0.533 0.000 1.265 196 T CA -0.636 61.184 62.100 -0.466 0.000 1.036 196 T CB 0.886 69.704 68.868 -0.083 0.000 1.209 196 T HN 0.423 nan 8.240 nan 0.000 0.484 197 V N 7.000 126.738 119.914 -0.293 0.000 2.277 197 V HA 0.325 4.445 4.120 0.000 0.000 0.269 197 V C -1.752 174.329 176.094 -0.022 0.000 1.036 197 V CA -1.474 60.744 62.300 -0.136 0.000 0.821 197 V CB 1.098 32.903 31.823 -0.030 0.000 1.052 197 V HN 0.721 nan 8.190 nan 0.000 0.462 198 P HA 0.012 nan 4.420 nan 0.000 0.222 198 P C 0.061 177.375 177.300 0.024 0.000 1.153 198 P CA 0.727 63.856 63.100 0.048 0.000 0.798 198 P CB 0.230 31.975 31.700 0.075 0.000 0.796 199 N N -0.515 118.208 118.700 0.037 0.000 2.446 199 N HA 0.485 5.225 4.740 0.000 0.000 0.265 199 N C 0.028 175.577 175.510 0.065 0.000 0.975 199 N CA -0.271 52.795 53.050 0.026 0.000 0.928 199 N CB 0.870 39.365 38.487 0.013 0.000 1.160 199 N HN -0.040 nan 8.380 nan 0.000 0.495 200 G N 1.788 110.585 108.800 -0.005 0.000 2.333 200 G HA2 -0.347 3.613 3.960 0.000 0.000 0.296 200 G HA3 -0.347 3.613 3.960 0.000 0.000 0.296 200 G C -0.152 174.726 174.900 -0.036 0.000 1.059 200 G CA -0.229 44.828 45.100 -0.072 0.000 1.050 200 G HN 0.794 nan 8.290 nan 0.000 0.508 201 N N -0.112 118.584 118.700 -0.006 0.000 2.353 201 N HA -0.012 4.729 4.740 0.000 0.000 0.248 201 N C 0.003 175.473 175.510 -0.068 0.000 1.240 201 N CA 0.059 53.104 53.050 -0.008 0.000 0.862 201 N CB 0.203 38.651 38.487 -0.066 0.000 1.086 201 N HN 0.330 nan 8.380 nan 0.000 0.453 202 N N 3.453 122.142 118.700 -0.019 0.000 2.437 202 N HA 0.258 4.999 4.740 0.000 0.000 0.259 202 N C -2.047 173.264 175.510 -0.332 0.000 0.983 202 N CA -2.180 50.775 53.050 -0.159 0.000 0.937 202 N CB 1.447 39.941 38.487 0.012 0.000 1.122 202 N HN 0.435 nan 8.380 nan 0.000 0.499 203 P HA 0.088 nan 4.420 nan 0.000 0.257 203 P C 0.801 177.648 177.300 -0.754 0.000 1.241 203 P CA 0.428 62.897 63.100 -1.052 0.000 0.816 203 P CB 0.208 30.802 31.700 -1.842 0.000 1.150 204 T N -4.377 109.741 114.554 -0.726 0.000 2.985 204 T HA 0.162 4.512 4.350 0.000 0.000 0.266 204 T C 1.803 176.471 174.700 -0.054 0.000 1.076 204 T CA 1.219 62.980 62.100 -0.566 0.000 1.135 204 T CB -1.235 67.361 68.868 -0.454 0.000 0.890 204 T HN 0.194 nan 8.240 nan 0.000 0.480 205 G N 1.659 110.445 108.800 -0.025 0.000 2.212 205 G HA2 -0.269 3.691 3.960 0.000 0.000 0.266 205 G HA3 -0.269 3.691 3.960 0.000 0.000 0.266 205 G C 0.048 174.992 174.900 0.073 0.000 0.978 205 G CA 0.063 45.214 45.100 0.085 0.000 0.632 205 G HN 0.640 nan 8.290 nan 0.000 0.537 206 N N 0.843 119.563 118.700 0.033 0.000 2.525 206 N HA 0.568 5.308 4.740 0.000 0.000 0.271 206 N C -0.095 175.417 175.510 0.005 0.000 1.194 206 N CA 0.433 53.498 53.050 0.026 0.000 0.964 206 N CB 1.364 39.851 38.487 0.001 0.000 1.126 206 N HN 0.266 nan 8.380 nan 0.000 0.452 207 S N 0.553 116.256 115.700 0.006 0.000 2.566 207 S HA 0.474 4.944 4.470 0.000 0.000 0.298 207 S C 0.198 174.795 174.600 -0.005 0.000 1.083 207 S CA -0.749 57.449 58.200 -0.002 0.000 0.978 207 S CB 1.491 64.684 63.200 -0.011 0.000 1.073 207 S HN 0.302 nan 8.310 nan 0.000 0.491 208 L N 2.520 123.739 121.223 -0.006 0.000 2.461 208 L HA 0.251 4.591 4.340 0.000 0.000 0.272 208 L C 1.147 177.995 176.870 -0.036 0.000 1.197 208 L CA -0.168 54.664 54.840 -0.014 0.000 0.836 208 L CB 0.584 42.630 42.059 -0.022 0.000 1.105 208 L HN 0.785 nan 8.230 nan 0.000 0.477 209 T N -1.936 112.599 114.554 -0.030 0.000 2.899 209 T HA 0.159 4.509 4.350 0.000 0.000 0.284 209 T C 1.169 175.827 174.700 -0.069 0.000 1.004 209 T CA -0.278 61.801 62.100 -0.036 0.000 1.043 209 T CB 1.440 70.298 68.868 -0.016 0.000 1.013 209 T HN 0.683 nan 8.240 nan 0.000 0.518 210 S N 0.664 116.322 115.700 -0.069 0.000 2.399 210 S HA -0.140 4.330 4.470 0.000 0.000 0.231 210 S C 1.589 176.149 174.600 -0.068 0.000 1.022 210 S CA 0.909 59.051 58.200 -0.096 0.000 0.983 210 S CB -0.657 62.498 63.200 -0.075 0.000 0.803 210 S HN 0.801 nan 8.310 nan 0.000 0.480 211 E N 1.636 121.816 120.200 -0.034 0.000 2.077 211 E HA -0.026 4.324 4.350 0.000 0.000 0.193 211 E C 2.407 179.014 176.600 0.011 0.000 0.989 211 E CA 1.135 57.531 56.400 -0.007 0.000 0.800 211 E CB -0.188 29.513 29.700 0.002 0.000 0.746 211 E HN 0.511 nan 8.360 nan 0.000 0.452 212 R N 0.574 121.078 120.500 0.007 0.000 2.066 212 R HA -0.036 4.304 4.340 0.000 0.000 0.232 212 R C 2.227 178.567 176.300 0.067 0.000 1.131 212 R CA 1.171 57.297 56.100 0.043 0.000 0.955 212 R CB -0.228 30.098 30.300 0.043 0.000 0.851 212 R HN 0.108 nan 8.270 nan 0.000 0.432 213 K N 0.917 121.289 120.400 -0.047 0.000 2.044 213 K HA -0.172 4.148 4.320 0.000 0.000 0.210 213 K C 2.108 178.756 176.600 0.080 0.000 1.049 213 K CA 1.447 57.631 56.287 -0.172 0.000 0.927 213 K CB -0.094 32.029 32.500 -0.630 0.000 0.713 213 K HN 0.131 nan 8.250 nan 0.000 0.443 214 K N 0.801 121.224 120.400 0.039 0.000 2.063 214 K HA -0.216 4.104 4.320 0.000 0.000 0.208 214 K C 2.212 178.922 176.600 0.183 0.000 1.048 214 K CA 1.465 57.818 56.287 0.110 0.000 0.928 214 K CB -0.044 32.485 32.500 0.049 0.000 0.713 214 K HN 0.265 nan 8.250 nan 0.000 0.442 215 E N 0.959 121.248 120.200 0.149 0.000 2.047 215 E HA -0.152 4.198 4.350 0.000 0.000 0.191 215 E C 1.995 178.712 176.600 0.196 0.000 0.987 215 E CA 0.828 57.317 56.400 0.149 0.000 0.799 215 E CB 0.006 29.773 29.700 0.112 0.000 0.752 215 E HN 0.184 nan 8.360 nan 0.000 0.449 216 I N 0.300 121.026 120.570 0.259 0.000 2.226 216 I HA -0.269 3.901 4.170 0.000 0.000 0.245 216 I C 2.222 178.502 176.117 0.271 0.000 1.100 216 I CA 1.132 62.614 61.300 0.304 0.000 1.374 216 I CB -0.318 37.936 38.000 0.423 0.000 1.057 216 I HN 0.243 nan 8.210 nan 0.000 0.413 217 Y N 1.702 122.166 120.300 0.273 0.000 2.165 217 Y HA -0.279 4.271 4.550 0.000 0.000 0.286 217 Y C 2.543 178.477 175.900 0.057 0.000 1.155 217 Y CA 1.668 59.870 58.100 0.171 0.000 1.164 217 Y CB -0.020 38.582 38.460 0.237 0.000 0.978 217 Y HN 0.120 nan 8.280 nan 0.000 0.513 218 E N 0.234 120.503 120.200 0.116 0.000 2.077 218 E HA -0.194 4.156 4.350 0.000 0.000 0.193 218 E C 2.351 178.936 176.600 -0.026 0.000 0.989 218 E CA 1.314 57.733 56.400 0.032 0.000 0.800 218 E CB -0.552 29.202 29.700 0.091 0.000 0.746 218 E HN 0.536 nan 8.360 nan 0.000 0.452 219 L N 0.428 121.681 121.223 0.049 0.000 2.042 219 L HA -0.197 4.143 4.340 0.000 0.000 0.210 219 L C 2.521 179.334 176.870 -0.096 0.000 1.076 219 L CA 1.305 56.223 54.840 0.130 0.000 0.749 219 L CB -0.518 41.690 42.059 0.249 0.000 0.893 219 L HN 0.070 nan 8.230 nan 0.000 0.432 220 A N -0.034 122.514 122.820 -0.453 0.000 1.930 220 A HA -0.224 4.096 4.320 0.000 0.000 0.217 220 A C 2.433 179.520 177.584 -0.829 0.000 1.175 220 A CA 1.623 52.914 52.037 -1.242 0.000 0.627 220 A CB -0.541 17.856 19.000 -1.004 0.000 0.815 220 A HN 0.392 nan 8.150 nan 0.000 0.443 221 R N 0.088 120.249 120.500 -0.565 0.000 2.075 221 R HA -0.143 4.197 4.340 0.000 0.000 0.232 221 R C 2.211 178.368 176.300 -0.239 0.000 1.126 221 R CA 1.905 57.786 56.100 -0.365 0.000 0.963 221 R CB -0.294 29.838 30.300 -0.280 0.000 0.858 221 R HN 0.498 nan 8.270 nan 0.000 0.435 222 K N -0.681 119.605 120.400 -0.191 0.000 2.097 222 K HA -0.157 4.163 4.320 0.000 0.000 0.205 222 K C 0.772 177.166 176.600 -0.344 0.000 1.050 222 K CA 1.387 57.537 56.287 -0.228 0.000 0.938 222 K CB 0.043 32.425 32.500 -0.198 0.000 0.718 222 K HN 0.294 nan 8.250 nan 0.000 0.442 223 Y N 0.411 120.663 120.300 -0.079 0.000 2.467 223 Y HA 0.144 4.694 4.550 0.000 0.000 0.250 223 Y C -0.373 175.519 175.900 -0.012 0.000 1.155 223 Y CA -0.297 57.820 58.100 0.028 0.000 1.249 223 Y CB 0.630 39.227 38.460 0.229 0.000 1.146 223 Y HN 0.121 nan 8.280 nan 0.000 0.524 224 D N 1.212 121.561 120.400 -0.085 0.000 2.812 224 D HA -0.223 4.417 4.640 0.000 0.000 0.237 224 D C -0.934 175.446 176.300 0.134 0.000 1.162 224 D CA 0.801 54.764 54.000 -0.060 0.000 0.740 224 D CB -1.237 39.565 40.800 0.003 0.000 1.000 224 D HN 0.335 nan 8.370 nan 0.000 0.416 225 F N -1.439 118.577 119.950 0.109 0.000 2.618 225 F HA 0.717 5.244 4.527 0.000 0.000 0.332 225 F C 0.029 175.811 175.800 -0.030 0.000 1.061 225 F CA -1.558 56.526 58.000 0.140 0.000 0.974 225 F CB 0.698 39.755 39.000 0.094 0.000 1.310 225 F HN -0.134 nan 8.300 nan 0.000 0.491 226 L N 1.929 123.261 121.223 0.182 0.000 2.399 226 L HA 0.457 4.797 4.340 0.000 0.000 0.266 226 L C -0.325 176.658 176.870 0.188 0.000 1.114 226 L CA -0.702 54.133 54.840 -0.007 0.000 0.804 226 L CB 1.195 43.145 42.059 -0.182 0.000 1.146 226 L HN 0.541 nan 8.230 nan 0.000 0.451 227 I N 3.100 123.674 120.570 0.005 0.000 2.339 227 I HA 0.338 4.508 4.170 0.000 0.000 0.290 227 I C -0.375 175.673 176.117 -0.116 0.000 0.994 227 I CA -0.313 60.941 61.300 -0.076 0.000 1.191 227 I CB 1.610 39.407 38.000 -0.339 0.000 1.343 227 I HN 0.398 nan 8.210 nan 0.000 0.458 228 I N 6.175 126.691 120.570 -0.090 0.000 2.307 228 I HA 0.210 4.380 4.170 0.000 0.000 0.289 228 I C 0.246 176.262 176.117 -0.168 0.000 1.021 228 I CA -0.220 61.003 61.300 -0.129 0.000 1.224 228 I CB 1.059 38.979 38.000 -0.133 0.000 1.376 228 I HN 0.618 nan 8.210 nan 0.000 0.470 229 E N 6.022 126.121 120.200 -0.169 0.000 2.070 229 E HA 0.118 4.468 4.350 0.000 0.000 0.261 229 E C -1.056 175.439 176.600 -0.175 0.000 0.926 229 E CA -0.630 55.682 56.400 -0.148 0.000 0.760 229 E CB 0.707 30.384 29.700 -0.038 0.000 1.133 229 E HN 0.433 nan 8.360 nan 0.000 0.420 230 D N 3.539 123.804 120.400 -0.224 0.000 2.347 230 D HA 0.118 4.758 4.640 0.000 0.000 0.235 230 D C -0.940 175.264 176.300 -0.161 0.000 1.149 230 D CA -0.250 53.650 54.000 -0.166 0.000 0.850 230 D CB 1.029 41.794 40.800 -0.058 0.000 1.061 230 D HN 0.245 nan 8.370 nan 0.000 0.487 231 D N 4.528 124.822 120.400 -0.177 0.000 2.861 231 D HA 0.186 4.826 4.640 0.000 0.000 0.357 231 D C -1.825 174.361 176.300 -0.190 0.000 1.250 231 D CA -1.398 52.516 54.000 -0.143 0.000 0.802 231 D CB 1.174 41.893 40.800 -0.135 0.000 1.141 231 D HN 0.267 nan 8.370 nan 0.000 0.489 232 P HA -0.082 nan 4.420 nan 0.000 0.230 232 P C 0.355 177.307 177.300 -0.579 0.000 1.158 232 P CA 0.618 63.436 63.100 -0.470 0.000 0.769 232 P CB 0.007 31.292 31.700 -0.693 0.000 0.807 233 Y N -3.236 117.041 120.300 -0.038 0.000 2.636 233 Y HA 0.202 4.752 4.550 0.000 0.000 0.260 233 Y C 2.036 177.868 175.900 -0.114 0.000 1.177 233 Y CA -1.078 56.968 58.100 -0.090 0.000 1.209 233 Y CB -1.117 37.246 38.460 -0.161 0.000 1.166 233 Y HN -0.170 nan 8.280 nan 0.000 0.531 234 Y N 0.262 120.479 120.300 -0.138 0.000 2.139 234 Y HA -0.310 4.241 4.550 0.000 0.000 0.282 234 Y C 1.111 176.837 175.900 -0.290 0.000 1.179 234 Y CA 1.732 59.664 58.100 -0.279 0.000 1.161 234 Y CB -0.512 37.657 38.460 -0.485 0.000 0.970 234 Y HN 0.191 nan 8.280 nan 0.000 0.511 235 F N -0.643 119.318 119.950 0.018 0.000 2.732 235 F HA 0.174 4.701 4.527 0.000 0.000 0.303 235 F C 0.557 176.293 175.800 -0.107 0.000 1.110 235 F CA 0.080 58.061 58.000 -0.032 0.000 1.355 235 F CB 0.180 39.288 39.000 0.179 0.000 1.081 235 F HN -0.072 nan 8.300 nan 0.000 0.565 236 L N 0.828 122.020 121.223 -0.051 0.000 3.168 236 L HA 0.258 4.598 4.340 0.000 0.000 0.277 236 L C -0.301 176.271 176.870 -0.496 0.000 1.308 236 L CA -0.032 54.681 54.840 -0.211 0.000 0.976 236 L CB 0.012 41.931 42.059 -0.233 0.000 1.383 236 L HN 0.066 nan 8.230 nan 0.000 0.572 237 Q N -0.423 119.141 119.800 -0.393 0.000 2.267 237 Q HA 0.211 4.551 4.340 0.000 0.000 0.255 237 Q C 0.233 176.045 176.000 -0.313 0.000 0.923 237 Q CA -0.340 55.213 55.803 -0.416 0.000 0.925 237 Q CB 1.341 29.907 28.738 -0.285 0.000 1.195 237 Q HN 0.211 nan 8.270 nan 0.000 0.417 238 F N -0.102 119.838 119.950 -0.016 0.000 2.367 238 F HA -0.049 4.478 4.527 0.000 0.000 0.298 238 F C 1.250 177.030 175.800 -0.032 0.000 1.094 238 F CA 0.075 58.068 58.000 -0.012 0.000 1.409 238 F CB -0.091 38.913 39.000 0.007 0.000 1.064 238 F HN 0.494 nan 8.300 nan 0.000 0.528 239 N N 1.986 120.749 118.700 0.105 0.000 2.431 239 N HA -0.060 4.681 4.740 0.000 0.000 0.265 239 N C 1.058 176.548 175.510 -0.032 0.000 1.184 239 N CA 0.194 53.271 53.050 0.044 0.000 0.943 239 N CB 0.693 39.220 38.487 0.066 0.000 1.080 239 N HN 0.039 nan 8.380 nan 0.000 0.477 240 K N 2.774 123.098 120.400 -0.127 0.000 2.280 240 K HA -0.070 4.251 4.320 0.000 0.000 0.202 240 K C -0.036 176.363 176.600 -0.334 0.000 1.047 240 K CA 0.782 56.914 56.287 -0.258 0.000 0.942 240 K CB -0.090 32.193 32.500 -0.362 0.000 0.739 240 K HN 0.440 nan 8.250 nan 0.000 0.457 241 F N 1.873 121.815 119.950 -0.012 0.000 2.424 241 F HA 0.228 4.755 4.527 0.000 0.000 0.356 241 F C 0.828 176.604 175.800 -0.039 0.000 1.110 241 F CA -0.645 57.344 58.000 -0.017 0.000 1.161 241 F CB 0.474 39.469 39.000 -0.008 0.000 1.115 241 F HN -0.318 nan 8.300 nan 0.000 0.507 242 R N 1.902 122.465 120.500 0.106 0.000 2.543 242 R HA 0.361 4.701 4.340 0.000 0.000 0.277 242 R C -0.653 175.684 176.300 0.062 0.000 1.074 242 R CA -0.648 55.449 56.100 -0.005 0.000 1.076 242 R CB 0.718 30.943 30.300 -0.126 0.000 0.993 242 R HN 0.383 nan 8.270 nan 0.000 0.459 243 V N 5.309 125.238 119.914 0.025 0.000 2.655 243 V HA 0.049 4.169 4.120 0.000 0.000 0.300 243 V C -1.767 174.361 176.094 0.057 0.000 1.044 243 V CA -1.306 61.008 62.300 0.023 0.000 1.095 243 V CB 0.449 32.261 31.823 -0.019 0.000 0.952 243 V HN 0.666 nan 8.190 nan 0.000 0.485 244 P HA 0.110 nan 4.420 nan 0.000 0.266 244 P C 0.125 177.380 177.300 -0.075 0.000 1.193 244 P CA 0.189 63.288 63.100 -0.002 0.000 0.770 244 P CB 0.233 31.901 31.700 -0.052 0.000 0.836 245 T N -1.194 113.313 114.554 -0.078 0.000 2.912 245 T HA 0.338 4.688 4.350 0.000 0.000 0.280 245 T C 0.856 175.432 174.700 -0.206 0.000 0.989 245 T CA -0.374 61.612 62.100 -0.190 0.000 0.995 245 T CB 0.302 68.966 68.868 -0.339 0.000 1.077 245 T HN 0.060 nan 8.240 nan 0.000 0.531 246 F N -0.053 119.811 119.950 -0.144 0.000 2.216 246 F HA 0.070 4.598 4.527 0.000 0.000 0.300 246 F C 2.158 177.841 175.800 -0.195 0.000 1.085 246 F CA 0.531 58.454 58.000 -0.127 0.000 1.326 246 F CB -0.643 38.340 39.000 -0.027 0.000 1.027 246 F HN 0.407 nan 8.300 nan 0.000 0.497 247 L N 0.307 121.500 121.223 -0.050 0.000 2.079 247 L HA -0.217 4.123 4.340 0.000 0.000 0.210 247 L C 2.553 179.346 176.870 -0.129 0.000 1.081 247 L CA 2.108 56.866 54.840 -0.137 0.000 0.752 247 L CB -1.037 40.852 42.059 -0.283 0.000 0.896 247 L HN 0.189 nan 8.230 nan 0.000 0.433 248 S N -0.809 114.818 115.700 -0.122 0.000 2.474 248 S HA -0.187 4.284 4.470 0.000 0.000 0.235 248 S C 1.690 176.221 174.600 -0.115 0.000 0.997 248 S CA 1.043 59.204 58.200 -0.065 0.000 0.949 248 S CB -0.672 62.523 63.200 -0.008 0.000 0.766 248 S HN 0.690 nan 8.310 nan 0.000 0.517 249 M N -0.104 119.376 119.600 -0.199 0.000 2.356 249 M HA 0.414 4.894 4.480 0.000 0.000 0.262 249 M C -0.066 175.935 176.300 -0.497 0.000 1.097 249 M CA -0.045 55.067 55.300 -0.314 0.000 0.991 249 M CB -0.089 32.302 32.600 -0.349 0.000 1.450 249 M HN -0.079 nan 8.290 nan 0.000 0.495 250 D N 2.093 122.309 120.400 -0.307 0.000 2.671 250 D HA 0.123 4.764 4.640 0.000 0.000 0.228 250 D C 1.031 177.366 176.300 0.060 0.000 1.102 250 D CA -0.007 53.909 54.000 -0.140 0.000 1.044 250 D CB 0.282 41.083 40.800 0.001 0.000 1.113 250 D HN 0.151 nan 8.370 nan 0.000 0.480 251 V N 1.439 121.419 119.914 0.111 0.000 2.720 251 V HA -0.159 3.961 4.120 0.000 0.000 0.256 251 V C 1.308 177.623 176.094 0.369 0.000 1.082 251 V CA 1.401 63.851 62.300 0.249 0.000 1.101 251 V CB -0.178 31.771 31.823 0.211 0.000 0.693 251 V HN 0.381 nan 8.190 nan 0.000 0.479 252 D N -0.023 120.591 120.400 0.356 0.000 2.360 252 D HA 0.186 4.826 4.640 0.000 0.000 0.210 252 D C 1.690 178.152 176.300 0.270 0.000 1.047 252 D CA 0.906 55.063 54.000 0.262 0.000 0.854 252 D CB 0.231 41.126 40.800 0.157 0.000 0.936 252 D HN 0.441 nan 8.370 nan 0.000 0.514 253 G N 2.437 111.416 108.800 0.299 0.000 2.323 253 G HA2 -0.354 3.607 3.960 0.000 0.000 0.292 253 G HA3 -0.354 3.607 3.960 0.000 0.000 0.292 253 G C 0.795 175.846 174.900 0.252 0.000 1.040 253 G CA 0.597 45.859 45.100 0.270 0.000 0.942 253 G HN 0.515 nan 8.290 nan 0.000 0.506 254 R N -1.646 118.958 120.500 0.172 0.000 2.472 254 R HA 0.488 4.828 4.340 0.000 0.000 0.279 254 R C 0.084 176.394 176.300 0.016 0.000 0.953 254 R CA -0.221 55.916 56.100 0.063 0.000 1.088 254 R CB 0.653 30.921 30.300 -0.053 0.000 1.197 254 R HN 0.280 nan 8.270 nan 0.000 0.536 255 V N 2.322 122.262 119.914 0.044 0.000 2.459 255 V HA 0.433 4.553 4.120 0.000 0.000 0.295 255 V C -0.189 175.864 176.094 -0.068 0.000 1.029 255 V CA -0.744 61.549 62.300 -0.012 0.000 0.874 255 V CB 1.923 33.764 31.823 0.031 0.000 0.985 255 V HN 0.179 nan 8.190 nan 0.000 0.438 256 I N 5.055 125.559 120.570 -0.109 0.000 2.406 256 I HA 0.584 4.754 4.170 0.000 0.000 0.290 256 I C -0.068 175.957 176.117 -0.154 0.000 0.999 256 I CA -0.524 60.694 61.300 -0.137 0.000 1.124 256 I CB 1.683 39.586 38.000 -0.162 0.000 1.289 256 I HN 0.535 nan 8.210 nan 0.000 0.441 257 R N 5.106 125.506 120.500 -0.166 0.000 2.534 257 R HA 0.805 5.145 4.340 0.000 0.000 0.301 257 R C -1.274 174.881 176.300 -0.242 0.000 0.961 257 R CA -0.526 55.452 56.100 -0.203 0.000 0.871 257 R CB 1.843 32.004 30.300 -0.231 0.000 1.170 257 R HN 0.752 nan 8.270 nan 0.000 0.446 258 A N 4.067 126.728 122.820 -0.264 0.000 2.287 258 A HA 0.385 4.705 4.320 0.000 0.000 0.317 258 A C -1.259 176.081 177.584 -0.406 0.000 1.220 258 A CA -0.670 51.179 52.037 -0.314 0.000 0.835 258 A CB 1.008 19.861 19.000 -0.245 0.000 1.180 258 A HN 0.841 nan 8.150 nan 0.000 0.500 259 D N 0.626 120.628 120.400 -0.663 0.000 2.269 259 D HA 0.615 5.255 4.640 0.000 0.000 0.244 259 D C -0.393 175.488 176.300 -0.699 0.000 0.992 259 D CA 0.077 53.614 54.000 -0.771 0.000 0.894 259 D CB 1.790 41.800 40.800 -1.316 0.000 1.248 259 D HN 0.417 nan 8.370 nan 0.000 0.468 260 S N 1.041 116.542 115.700 -0.331 0.000 2.526 260 S HA 0.372 4.842 4.470 0.000 0.000 0.293 260 S C -0.632 174.048 174.600 0.134 0.000 1.092 260 S CA -0.607 57.508 58.200 -0.141 0.000 0.980 260 S CB 0.471 63.605 63.200 -0.110 0.000 1.048 260 S HN 0.329 nan 8.310 nan 0.000 0.483 261 F N 2.054 122.121 119.950 0.195 0.000 2.765 261 F HA 0.370 4.897 4.527 0.000 0.000 0.302 261 F C 1.610 177.507 175.800 0.161 0.000 1.111 261 F CA -0.458 57.680 58.000 0.230 0.000 1.359 261 F CB -0.578 38.555 39.000 0.221 0.000 1.097 261 F HN 0.386 nan 8.300 nan 0.000 0.577 265 I N -0.403 120.290 120.570 0.204 0.000 3.570 265 I HA 0.285 4.455 4.170 0.000 0.000 0.270 265 I C 0.728 176.883 176.117 0.063 0.000 1.162 265 I CA 0.749 62.076 61.300 0.046 0.000 1.413 265 I CB 0.477 38.349 38.000 -0.213 0.000 1.437 265 I HN 0.181 nan 8.210 nan 0.000 0.457 266 S N -0.216 115.553 115.700 0.116 0.000 2.579 266 S HA 0.228 4.699 4.470 0.000 0.000 0.290 266 S C 0.556 175.233 174.600 0.129 0.000 1.123 266 S CA 0.129 58.389 58.200 0.101 0.000 0.894 266 S CB 1.114 64.349 63.200 0.058 0.000 1.095 266 S HN 0.259 nan 8.310 nan 0.000 0.450 267 S N 3.078 118.845 115.700 0.112 0.000 2.406 267 S HA 0.152 4.623 4.470 0.000 0.000 0.224 267 S C 1.908 176.558 174.600 0.082 0.000 1.030 267 S CA 0.877 59.140 58.200 0.104 0.000 0.958 267 S CB -0.694 62.566 63.200 0.100 0.000 0.811 267 S HN 1.049 nan 8.310 nan 0.000 0.489 268 G N 1.679 110.519 108.800 0.067 0.000 2.511 268 G HA2 0.127 4.087 3.960 0.000 0.000 0.217 268 G HA3 0.127 4.087 3.960 0.000 0.000 0.217 268 G C 1.328 176.255 174.900 0.044 0.000 1.133 268 G CA 0.262 45.391 45.100 0.049 0.000 0.792 268 G HN 0.476 nan 8.290 nan 0.000 0.539 269 L N -0.540 120.717 121.223 0.056 0.000 2.275 269 L HA 0.050 4.390 4.340 0.000 0.000 0.215 269 L C 0.842 177.755 176.870 0.071 0.000 1.119 269 L CA 0.084 54.960 54.840 0.060 0.000 0.790 269 L CB -0.181 41.916 42.059 0.064 0.000 0.919 269 L HN 0.141 nan 8.230 nan 0.000 0.443 270 R N 0.641 121.187 120.500 0.077 0.000 3.209 270 R HA -0.140 4.200 4.340 0.000 0.000 0.252 270 R C -0.933 175.420 176.300 0.089 0.000 0.958 270 R CA 0.557 56.700 56.100 0.071 0.000 0.651 270 R CB -2.469 27.858 30.300 0.044 0.000 1.142 270 R HN 0.176 nan 8.270 nan 0.000 0.441 271 I N -0.330 120.319 120.570 0.131 0.000 2.447 271 I HA 0.630 4.801 4.170 0.000 0.000 0.287 271 I C 1.085 177.300 176.117 0.164 0.000 1.023 271 I CA -0.365 61.032 61.300 0.162 0.000 1.083 271 I CB 1.899 40.029 38.000 0.218 0.000 1.245 271 I HN 0.342 nan 8.210 nan 0.000 0.434 272 G N 5.568 114.433 108.800 0.107 0.000 2.921 272 G HA2 0.878 4.839 3.960 0.000 0.000 0.291 272 G HA3 0.878 4.839 3.960 0.000 0.000 0.291 272 G C -1.670 173.322 174.900 0.153 0.000 1.370 272 G CA -0.578 44.537 45.100 0.025 0.000 0.847 272 G HN 0.458 nan 8.290 nan 0.000 0.532 273 F N -2.135 117.713 119.950 -0.171 0.000 2.665 273 F HA 0.778 5.305 4.527 0.000 0.000 0.308 273 F C -1.790 173.936 175.800 -0.124 0.000 1.112 273 F CA -1.362 56.557 58.000 -0.134 0.000 0.972 273 F CB 1.771 40.690 39.000 -0.135 0.000 1.295 273 F HN 0.524 nan 8.300 nan 0.000 0.440 274 L N 1.796 123.012 121.223 -0.012 0.000 2.346 274 L HA 0.856 5.196 4.340 0.000 0.000 0.276 274 L C -0.734 176.125 176.870 -0.018 0.000 1.006 274 L CA 0.023 54.808 54.840 -0.092 0.000 0.817 274 L CB 2.272 44.278 42.059 -0.089 0.000 1.272 274 L HN 0.881 nan 8.230 nan 0.000 0.421 275 T N 3.156 117.671 114.554 -0.065 0.000 2.886 275 T HA 0.897 5.247 4.350 0.000 0.000 0.292 275 T C -0.317 174.333 174.700 -0.083 0.000 1.012 275 T CA -0.219 61.860 62.100 -0.036 0.000 0.982 275 T CB 1.685 70.547 68.868 -0.010 0.000 1.018 275 T HN 0.959 nan 8.240 nan 0.000 0.451 276 G N 2.675 111.426 108.800 -0.081 0.000 2.348 276 G HA2 0.545 4.505 3.960 0.000 0.000 0.296 276 G HA3 0.545 4.505 3.960 0.000 0.000 0.296 276 G C -3.394 171.440 174.900 -0.111 0.000 1.258 276 G CA -0.866 44.173 45.100 -0.103 0.000 0.868 276 G HN 0.472 nan 8.290 nan 0.000 0.488 277 P HA 0.193 nan 4.420 nan 0.000 0.267 277 P C 0.726 177.897 177.300 -0.216 0.000 1.209 277 P CA 0.008 62.985 63.100 -0.205 0.000 0.763 277 P CB 1.251 32.671 31.700 -0.466 0.000 0.816 278 K N 5.705 126.032 120.400 -0.122 0.000 2.077 278 K HA -0.198 4.122 4.320 0.000 0.000 0.213 278 K C -0.848 175.687 176.600 -0.109 0.000 1.051 278 K CA 2.209 58.444 56.287 -0.087 0.000 0.929 278 K CB -1.279 31.203 32.500 -0.031 0.000 0.715 278 K HN 0.427 nan 8.250 nan 0.000 0.451 279 P HA -0.116 nan 4.420 nan 0.000 0.223 279 P C 1.012 178.227 177.300 -0.140 0.000 1.151 279 P CA 1.104 64.138 63.100 -0.110 0.000 0.787 279 P CB 0.070 31.738 31.700 -0.055 0.000 0.788 280 L N -1.377 119.695 121.223 -0.252 0.000 2.127 280 L HA -0.036 4.305 4.340 0.000 0.000 0.203 280 L C 2.308 179.115 176.870 -0.105 0.000 1.080 280 L CA 0.747 55.481 54.840 -0.176 0.000 0.768 280 L CB -0.735 41.171 42.059 -0.254 0.000 0.924 280 L HN -0.124 nan 8.230 nan 0.000 0.444 281 I N 0.462 120.966 120.570 -0.112 0.000 2.208 281 I HA -0.318 3.853 4.170 0.000 0.000 0.245 281 I C 2.531 178.626 176.117 -0.037 0.000 1.097 281 I CA 1.607 62.866 61.300 -0.068 0.000 1.363 281 I CB -0.985 36.977 38.000 -0.063 0.000 1.051 281 I HN 0.471 nan 8.210 nan 0.000 0.413 282 E N 0.909 121.088 120.200 -0.035 0.000 2.077 282 E HA -0.252 4.098 4.350 0.000 0.000 0.193 282 E C 2.291 178.894 176.600 0.005 0.000 0.989 282 E CA 1.159 57.553 56.400 -0.011 0.000 0.800 282 E CB 0.117 29.812 29.700 -0.008 0.000 0.746 282 E HN 0.228 nan 8.360 nan 0.000 0.452 283 R N 0.369 120.871 120.500 0.003 0.000 2.083 283 R HA -0.112 4.228 4.340 0.000 0.000 0.237 283 R C 2.428 178.758 176.300 0.051 0.000 1.137 283 R CA 0.958 57.073 56.100 0.026 0.000 0.951 283 R CB -1.345 28.974 30.300 0.031 0.000 0.851 283 R HN 0.180 nan 8.270 nan 0.000 0.434 284 V N 1.206 121.138 119.914 0.030 0.000 2.295 284 V HA -0.211 3.909 4.120 0.000 0.000 0.246 284 V C 2.313 178.437 176.094 0.049 0.000 1.049 284 V CA 1.736 64.057 62.300 0.036 0.000 1.024 284 V CB -0.426 31.385 31.823 -0.020 0.000 0.648 284 V HN 0.182 nan 8.190 nan 0.000 0.447 285 I N -0.466 120.122 120.570 0.030 0.000 2.286 285 I HA -0.262 3.908 4.170 0.000 0.000 0.248 285 I C 2.286 178.436 176.117 0.055 0.000 1.115 285 I CA 1.514 62.835 61.300 0.036 0.000 1.392 285 I CB -0.354 37.659 38.000 0.023 0.000 1.065 285 I HN 0.252 nan 8.210 nan 0.000 0.418 286 L N -0.403 120.853 121.223 0.055 0.000 2.131 286 L HA -0.254 4.086 4.340 0.000 0.000 0.210 286 L C 2.598 179.523 176.870 0.092 0.000 1.092 286 L CA 1.542 56.413 54.840 0.052 0.000 0.759 286 L CB -0.865 41.212 42.059 0.029 0.000 0.903 286 L HN 0.399 nan 8.230 nan 0.000 0.435 287 H N 0.214 119.285 119.070 0.002 0.000 2.333 287 H HA -0.114 4.443 4.556 0.000 0.000 0.302 287 H C 2.464 177.793 175.328 0.001 0.000 1.075 287 H CA 1.251 57.300 56.048 0.002 0.000 1.348 287 H CB 0.246 30.008 29.762 0.000 0.000 1.393 287 H HN 0.159 nan 8.280 nan 0.000 0.509 288 I N 1.004 121.648 120.570 0.123 0.000 2.185 288 I HA -0.357 3.813 4.170 0.000 0.000 0.246 288 I C 2.296 178.451 176.117 0.064 0.000 1.088 288 I CA 1.487 62.817 61.300 0.050 0.000 1.347 288 I CB -0.354 37.662 38.000 0.027 0.000 1.041 288 I HN 0.461 nan 8.210 nan 0.000 0.415 289 Q N -0.069 119.772 119.800 0.067 0.000 2.368 289 Q HA -0.161 4.179 4.340 0.000 0.000 0.210 289 Q C 1.789 177.812 176.000 0.040 0.000 0.982 289 Q CA 1.659 57.490 55.803 0.046 0.000 0.884 289 Q CB -0.017 28.741 28.738 0.034 0.000 0.933 289 Q HN 0.674 nan 8.270 nan 0.000 0.460 290 V N -3.941 116.014 119.914 0.068 0.000 3.427 290 V HA 0.218 4.338 4.120 0.000 0.000 0.305 290 V C 1.007 177.146 176.094 0.074 0.000 1.412 290 V CA 0.483 62.817 62.300 0.058 0.000 1.086 290 V CB 0.455 32.305 31.823 0.045 0.000 0.964 290 V HN 0.205 nan 8.190 nan 0.000 0.439 291 S N 1.237 116.982 115.700 0.075 0.000 3.248 291 S HA 0.057 4.528 4.470 0.000 0.000 0.173 291 S C 1.719 176.323 174.600 0.007 0.000 0.749 291 S CA 0.913 59.141 58.200 0.047 0.000 0.898 291 S CB -0.087 63.135 63.200 0.036 0.000 1.027 291 S HN 0.577 nan 8.310 nan 0.000 0.781 292 T N 0.429 114.973 114.554 -0.016 0.000 3.055 292 T HA 0.316 4.666 4.350 0.000 0.000 0.265 292 T C 1.368 176.018 174.700 -0.082 0.000 1.111 292 T CA 0.861 62.933 62.100 -0.047 0.000 1.118 292 T CB -0.849 67.987 68.868 -0.054 0.000 0.909 292 T HN 0.588 nan 8.240 nan 0.000 0.501 293 L N -0.829 120.377 121.223 -0.029 0.000 3.417 293 L HA -0.297 4.043 4.340 0.000 0.000 0.368 293 L C 0.455 177.390 176.870 0.109 0.000 0.810 293 L CA 2.131 56.979 54.840 0.014 0.000 3.108 293 L CB -2.035 40.025 42.059 0.000 0.000 0.687 293 L HN 0.904 nan 8.230 nan 0.000 0.756 294 H N -4.373 114.735 119.070 0.063 0.000 2.921 294 H HA 0.603 5.159 4.556 0.000 0.000 0.287 294 H C -3.156 172.208 175.328 0.060 0.000 1.434 294 H CA -1.477 54.607 56.048 0.060 0.000 1.178 294 H CB 0.479 30.287 29.762 0.077 0.000 1.836 294 H HN -0.219 nan 8.280 nan 0.000 0.495 295 P HA 0.125 nan 4.420 nan 0.000 0.274 295 P C -0.043 177.403 177.300 0.243 0.000 1.231 295 P CA -0.398 62.787 63.100 0.142 0.000 0.790 295 P CB 0.927 32.705 31.700 0.130 0.000 0.951 296 S N 1.212 116.993 115.700 0.136 0.000 2.931 296 S HA -0.079 4.391 4.470 0.000 0.000 0.342 296 S C 1.242 175.976 174.600 0.224 0.000 1.220 296 S CA 0.518 58.814 58.200 0.161 0.000 1.045 296 S CB -0.657 62.604 63.200 0.102 0.000 0.758 296 S HN 0.456 nan 8.310 nan 0.000 0.508 297 T N 6.501 121.215 114.554 0.266 0.000 2.746 297 T HA -0.115 4.235 4.350 0.000 0.000 0.267 297 T C 1.251 176.061 174.700 0.183 0.000 1.039 297 T CA 1.654 63.861 62.100 0.179 0.000 1.142 297 T CB -0.479 68.471 68.868 0.136 0.000 0.866 297 T HN 0.740 nan 8.240 nan 0.000 0.444 298 F N 2.991 122.972 119.950 0.051 0.000 2.065 298 F HA -0.215 4.312 4.527 0.000 0.000 0.298 298 F C 2.070 177.886 175.800 0.028 0.000 1.112 298 F CA 1.461 59.477 58.000 0.027 0.000 1.212 298 F CB -0.312 38.620 39.000 -0.113 0.000 0.975 298 F HN 0.062 nan 8.300 nan 0.000 0.476 299 N N 0.139 118.958 118.700 0.198 0.000 2.188 299 N HA -0.149 4.591 4.740 0.000 0.000 0.184 299 N C 1.771 177.299 175.510 0.030 0.000 1.018 299 N CA 1.243 54.348 53.050 0.093 0.000 0.858 299 N CB -0.587 37.969 38.487 0.116 0.000 0.989 299 N HN 0.506 nan 8.380 nan 0.000 0.426 300 Q N 0.288 120.122 119.800 0.057 0.000 2.084 300 Q HA -0.022 4.319 4.340 0.000 0.000 0.202 300 Q C 2.067 178.048 176.000 -0.031 0.000 0.978 300 Q CA 0.896 56.715 55.803 0.026 0.000 0.844 300 Q CB -0.131 28.634 28.738 0.046 0.000 0.898 300 Q HN 0.354 nan 8.270 nan 0.000 0.426 301 L N -0.123 121.083 121.223 -0.028 0.000 2.027 301 L HA -0.208 4.132 4.340 0.000 0.000 0.206 301 L C 2.487 179.309 176.870 -0.080 0.000 1.074 301 L CA 0.988 55.776 54.840 -0.085 0.000 0.745 301 L CB -0.345 41.663 42.059 -0.085 0.000 0.898 301 L HN 0.318 nan 8.230 nan 0.000 0.433 302 M N -0.611 118.994 119.600 0.007 0.000 2.088 302 M HA -0.294 4.186 4.480 0.000 0.000 0.256 302 M C 2.251 178.443 176.300 -0.180 0.000 1.071 302 M CA 1.811 57.072 55.300 -0.066 0.000 1.097 302 M CB -0.470 32.029 32.600 -0.168 0.000 1.315 302 M HN 0.180 nan 8.290 nan 0.000 0.406 303 I N -0.765 119.698 120.570 -0.179 0.000 2.202 303 I HA -0.208 3.962 4.170 0.000 0.000 0.242 303 I C 2.670 178.581 176.117 -0.343 0.000 1.091 303 I CA 1.358 62.497 61.300 -0.268 0.000 1.368 303 I CB -1.550 36.349 38.000 -0.168 0.000 1.058 303 I HN 0.303 nan 8.210 nan 0.000 0.410 304 S N 0.129 115.687 115.700 -0.237 0.000 2.370 304 S HA -0.227 4.243 4.470 0.000 0.000 0.226 304 S C 1.981 176.483 174.600 -0.165 0.000 1.033 304 S CA 1.446 59.529 58.200 -0.195 0.000 1.011 304 S CB -0.063 63.078 63.200 -0.097 0.000 0.852 304 S HN 0.451 nan 8.310 nan 0.000 0.457 305 Q N -0.125 119.534 119.800 -0.236 0.000 2.084 305 Q HA -0.121 4.219 4.340 0.000 0.000 0.202 305 Q C 2.270 178.087 176.000 -0.304 0.000 0.978 305 Q CA 1.502 57.155 55.803 -0.250 0.000 0.844 305 Q CB -0.361 28.208 28.738 -0.281 0.000 0.898 305 Q HN 0.498 nan 8.270 nan 0.000 0.426 306 L N 0.627 121.592 121.223 -0.429 0.000 2.043 306 L HA -0.212 4.128 4.340 0.000 0.000 0.212 306 L C 1.941 178.372 176.870 -0.731 0.000 1.075 306 L CA 1.699 56.125 54.840 -0.690 0.000 0.752 306 L CB -0.249 41.298 42.059 -0.853 0.000 0.891 306 L HN 0.165 nan 8.230 nan 0.000 0.432 307 L N -2.122 118.690 121.223 -0.685 0.000 2.162 307 L HA -0.100 4.240 4.340 0.000 0.000 0.205 307 L C 2.405 178.905 176.870 -0.617 0.000 1.086 307 L CA 0.624 54.950 54.840 -0.856 0.000 0.778 307 L CB -0.666 40.311 42.059 -1.804 0.000 0.928 307 L HN 0.288 nan 8.230 nan 0.000 0.446 308 H N -0.523 118.268 119.070 -0.465 0.000 2.387 308 H HA -0.185 4.372 4.556 0.000 0.000 0.299 308 H C 2.163 177.492 175.328 0.002 0.000 1.090 308 H CA 1.545 57.526 56.048 -0.110 0.000 1.332 308 H CB 0.168 29.868 29.762 -0.102 0.000 1.386 308 H HN 0.213 nan 8.280 nan 0.000 0.516 309 E N -0.240 119.979 120.200 0.032 0.000 2.106 309 E HA -0.153 4.197 4.350 0.000 0.000 0.192 309 E C 1.485 178.200 176.600 0.191 0.000 0.984 309 E CA 0.983 57.416 56.400 0.054 0.000 0.806 309 E CB -0.229 29.442 29.700 -0.050 0.000 0.750 309 E HN 0.412 nan 8.360 nan 0.000 0.458 310 W N 0.827 122.124 121.300 -0.005 0.000 2.388 310 W HA 0.219 4.880 4.660 0.000 0.000 0.294 310 W C 1.170 177.765 176.519 0.128 0.000 1.212 310 W CA 1.752 59.123 57.345 0.043 0.000 1.271 310 W CB -1.047 28.431 29.460 0.029 0.000 1.126 310 W HN 0.268 nan 8.180 nan 0.000 0.535 311 G N 0.219 109.278 108.800 0.432 0.000 2.856 311 G HA2 -0.334 3.626 3.960 0.000 0.000 0.674 311 G HA3 -0.334 3.626 3.960 0.000 0.000 0.674 311 G C 0.759 175.950 174.900 0.484 0.000 1.519 311 G CA 0.035 45.383 45.100 0.412 0.000 0.940 311 G HN 0.184 nan 8.290 nan 0.000 0.564 312 E N 0.017 120.399 120.200 0.303 0.000 2.114 312 E HA -0.214 4.136 4.350 0.000 0.000 0.199 312 E C 2.079 178.828 176.600 0.248 0.000 1.008 312 E CA 2.248 58.783 56.400 0.226 0.000 0.810 312 E CB -0.123 29.555 29.700 -0.036 0.000 0.739 312 E HN 0.728 nan 8.360 nan 0.000 0.456 313 E N -0.981 119.309 120.200 0.149 0.000 2.051 313 E HA -0.136 4.214 4.350 0.000 0.000 0.192 313 E C 2.021 178.623 176.600 0.003 0.000 0.991 313 E CA 0.967 57.409 56.400 0.070 0.000 0.799 313 E CB -0.294 29.433 29.700 0.045 0.000 0.748 313 E HN 0.388 nan 8.360 nan 0.000 0.449 314 G N 0.503 109.305 108.800 0.002 0.000 2.422 314 G HA2 -0.279 3.681 3.960 0.000 0.000 0.218 314 G HA3 -0.279 3.681 3.960 0.000 0.000 0.218 314 G C 1.335 175.880 174.900 -0.590 0.000 1.146 314 G CA 0.523 45.449 45.100 -0.289 0.000 0.769 314 G HN 0.291 nan 8.290 nan 0.000 0.547 315 F N 1.188 120.987 119.950 -0.252 0.000 2.095 315 F HA -0.070 4.458 4.527 0.000 0.000 0.298 315 F C 2.556 178.245 175.800 -0.186 0.000 1.104 315 F CA 1.551 59.451 58.000 -0.166 0.000 1.232 315 F CB -0.013 39.171 39.000 0.307 0.000 0.987 315 F HN 0.011 nan 8.300 nan 0.000 0.475 316 M N 0.104 119.597 119.600 -0.178 0.000 2.319 316 M HA -0.029 4.451 4.480 0.000 0.000 0.265 316 M C 2.428 178.572 176.300 -0.260 0.000 1.068 316 M CA 1.304 56.464 55.300 -0.233 0.000 1.118 316 M CB -1.857 30.737 32.600 -0.009 0.000 1.395 316 M HN 0.339 nan 8.290 nan 0.000 0.435 317 A N -0.770 121.891 122.820 -0.265 0.000 1.930 317 A HA -0.196 4.124 4.320 0.000 0.000 0.217 317 A C 2.150 179.559 177.584 -0.292 0.000 1.175 317 A CA 1.575 53.466 52.037 -0.244 0.000 0.627 317 A CB -1.045 17.818 19.000 -0.228 0.000 0.815 317 A HN 0.581 nan 8.150 nan 0.000 0.443 318 H N -0.269 118.466 119.070 -0.558 0.000 2.357 318 H HA -0.066 4.490 4.556 0.000 0.000 0.301 318 H C 1.996 177.111 175.328 -0.354 0.000 1.082 318 H CA 1.860 57.602 56.048 -0.509 0.000 1.342 318 H CB 0.003 29.267 29.762 -0.829 0.000 1.389 318 H HN 0.209 nan 8.280 nan 0.000 0.511 319 V N 1.520 121.126 119.914 -0.513 0.000 2.255 319 V HA -0.273 3.847 4.120 0.000 0.000 0.247 319 V C 2.033 177.989 176.094 -0.231 0.000 1.051 319 V CA 2.325 64.381 62.300 -0.407 0.000 1.018 319 V CB -0.637 30.909 31.823 -0.463 0.000 0.641 319 V HN 0.418 nan 8.190 nan 0.000 0.445 320 D N -0.568 119.715 120.400 -0.196 0.000 2.133 320 D HA -0.199 4.441 4.640 0.000 0.000 0.192 320 D C 2.429 178.674 176.300 -0.092 0.000 1.001 320 D CA 1.479 55.410 54.000 -0.115 0.000 0.844 320 D CB -0.196 40.540 40.800 -0.107 0.000 0.944 320 D HN 0.341 nan 8.370 nan 0.000 0.447 321 R N -0.033 120.378 120.500 -0.148 0.000 2.091 321 R HA -0.100 4.241 4.340 0.000 0.000 0.238 321 R C 2.286 178.553 176.300 -0.055 0.000 1.136 321 R CA 0.905 56.941 56.100 -0.108 0.000 0.959 321 R CB -0.485 29.728 30.300 -0.145 0.000 0.856 321 R HN 0.165 nan 8.270 nan 0.000 0.437 322 V N 1.295 121.125 119.914 -0.140 0.000 2.358 322 V HA -0.201 3.919 4.120 0.000 0.000 0.246 322 V C 2.253 178.529 176.094 0.303 0.000 1.047 322 V CA 1.542 63.873 62.300 0.051 0.000 1.035 322 V CB -0.360 31.430 31.823 -0.054 0.000 0.658 322 V HN 0.266 nan 8.190 nan 0.000 0.452 323 I N 0.185 120.864 120.570 0.181 0.000 2.208 323 I HA -0.245 3.925 4.170 0.000 0.000 0.245 323 I C 2.290 178.575 176.117 0.280 0.000 1.097 323 I CA 1.558 63.021 61.300 0.270 0.000 1.363 323 I CB -0.472 37.615 38.000 0.144 0.000 1.051 323 I HN 0.321 nan 8.210 nan 0.000 0.413 324 D N 0.664 121.158 120.400 0.156 0.000 2.084 324 D HA -0.222 4.418 4.640 0.000 0.000 0.194 324 D C 1.915 178.274 176.300 0.098 0.000 0.990 324 D CA 1.265 55.322 54.000 0.095 0.000 0.826 324 D CB -0.495 40.334 40.800 0.047 0.000 0.971 324 D HN 0.220 nan 8.370 nan 0.000 0.453 325 F N 0.854 120.806 119.950 0.004 0.000 2.043 325 F HA -0.332 4.195 4.527 0.000 0.000 0.297 325 F C 2.200 177.965 175.800 -0.058 0.000 1.118 325 F CA 1.606 59.564 58.000 -0.069 0.000 1.202 325 F CB -0.760 38.145 39.000 -0.157 0.000 0.965 325 F HN -0.014 nan 8.300 nan 0.000 0.482 326 Y N -0.513 119.820 120.300 0.055 0.000 2.274 326 Y HA -0.174 4.376 4.550 0.000 0.000 0.290 326 Y C 3.002 178.817 175.900 -0.142 0.000 1.145 326 Y CA 1.627 59.780 58.100 0.088 0.000 1.203 326 Y CB -1.118 37.625 38.460 0.472 0.000 0.984 326 Y HN 0.144 nan 8.280 nan 0.000 0.533 327 S N -0.019 115.639 115.700 -0.071 0.000 2.356 327 S HA -0.189 4.281 4.470 0.000 0.000 0.223 327 S C 1.953 176.300 174.600 -0.421 0.000 1.032 327 S CA 1.493 59.418 58.200 -0.459 0.000 1.005 327 S CB -0.311 62.768 63.200 -0.202 0.000 0.867 327 S HN 0.492 nan 8.310 nan 0.000 0.449 328 N N 1.200 119.712 118.700 -0.315 0.000 2.149 328 N HA -0.069 4.671 4.740 0.000 0.000 0.188 328 N C 1.825 177.100 175.510 -0.391 0.000 1.019 328 N CA 0.940 53.802 53.050 -0.313 0.000 0.857 328 N CB -0.439 37.893 38.487 -0.259 0.000 0.997 328 N HN 0.474 nan 8.380 nan 0.000 0.426 329 Q N 0.771 120.267 119.800 -0.508 0.000 2.119 329 Q HA -0.069 4.271 4.340 0.000 0.000 0.201 329 Q C 1.993 177.669 176.000 -0.540 0.000 0.972 329 Q CA 0.857 56.400 55.803 -0.435 0.000 0.847 329 Q CB -0.144 28.389 28.738 -0.343 0.000 0.903 329 Q HN 0.483 nan 8.270 nan 0.000 0.433 330 K N 0.816 120.720 120.400 -0.827 0.000 2.025 330 K HA -0.164 4.157 4.320 0.000 0.000 0.207 330 K C 1.346 177.556 176.600 -0.649 0.000 1.049 330 K CA 1.507 57.056 56.287 -1.230 0.000 0.933 330 K CB 0.100 31.836 32.500 -1.272 0.000 0.714 330 K HN 0.011 nan 8.250 nan 0.000 0.438 331 D N 0.731 120.852 120.400 -0.464 0.000 2.123 331 D HA -0.168 4.472 4.640 0.000 0.000 0.196 331 D C 1.842 178.013 176.300 -0.216 0.000 0.992 331 D CA 1.412 55.244 54.000 -0.281 0.000 0.833 331 D CB -0.307 40.359 40.800 -0.224 0.000 0.954 331 D HN 0.391 nan 8.370 nan 0.000 0.455 332 A N 1.089 123.771 122.820 -0.231 0.000 1.883 332 A HA -0.179 4.142 4.320 0.000 0.000 0.217 332 A C 2.357 179.858 177.584 -0.138 0.000 1.186 332 A CA 1.072 53.011 52.037 -0.164 0.000 0.624 332 A CB -0.837 18.063 19.000 -0.166 0.000 0.822 332 A HN 0.271 nan 8.150 nan 0.000 0.444 333 I N -0.654 119.801 120.570 -0.192 0.000 2.439 333 I HA -0.172 3.998 4.170 0.000 0.000 0.251 333 I C 2.105 178.209 176.117 -0.021 0.000 1.139 333 I CA 0.872 62.111 61.300 -0.102 0.000 1.438 333 I CB -0.029 37.929 38.000 -0.070 0.000 1.085 333 I HN 0.329 nan 8.210 nan 0.000 0.427 334 L N 0.226 121.385 121.223 -0.106 0.000 2.109 334 L HA -0.119 4.221 4.340 0.000 0.000 0.207 334 L C 2.727 179.613 176.870 0.028 0.000 1.086 334 L CA 1.109 55.923 54.840 -0.043 0.000 0.760 334 L CB -0.669 41.382 42.059 -0.013 0.000 0.910 334 L HN 0.217 nan 8.230 nan 0.000 0.437 335 A N 0.036 122.859 122.820 0.004 0.000 1.930 335 A HA -0.103 4.217 4.320 0.000 0.000 0.217 335 A C 2.518 180.145 177.584 0.071 0.000 1.175 335 A CA 1.533 53.584 52.037 0.023 0.000 0.627 335 A CB -0.598 18.394 19.000 -0.015 0.000 0.815 335 A HN 0.370 nan 8.150 nan 0.000 0.443 336 A N -0.185 122.708 122.820 0.122 0.000 1.930 336 A HA 0.214 4.534 4.320 0.000 0.000 0.217 336 A C 2.448 180.322 177.584 0.482 0.000 1.175 336 A CA 1.886 54.101 52.037 0.297 0.000 0.627 336 A CB -0.837 18.263 19.000 0.166 0.000 0.815 336 A HN 0.958 nan 8.150 nan 0.000 0.443 337 A N -0.050 122.943 122.820 0.288 0.000 1.897 337 A HA -0.122 4.198 4.320 0.000 0.000 0.215 337 A C 1.779 179.353 177.584 -0.016 0.000 1.181 337 A CA 1.688 53.597 52.037 -0.213 0.000 0.620 337 A CB -0.502 17.895 19.000 -1.005 0.000 0.821 337 A HN 0.429 nan 8.150 nan 0.000 0.443 338 D N 0.064 120.552 120.400 0.147 0.000 2.104 338 D HA -0.148 4.492 4.640 0.000 0.000 0.194 338 D C 1.881 178.217 176.300 0.060 0.000 0.994 338 D CA 1.089 55.214 54.000 0.207 0.000 0.830 338 D CB -0.187 40.698 40.800 0.143 0.000 0.959 338 D HN 0.143 nan 8.370 nan 0.000 0.452 339 K N -0.224 120.150 120.400 -0.044 0.000 2.015 339 K HA -0.176 4.144 4.320 0.000 0.000 0.216 339 K C 2.192 178.556 176.600 -0.393 0.000 1.052 339 K CA 1.306 57.400 56.287 -0.323 0.000 0.937 339 K CB -0.600 31.596 32.500 -0.507 0.000 0.719 339 K HN 0.348 nan 8.250 nan 0.000 0.446 340 W N -0.527 120.817 121.300 0.073 0.000 2.808 340 W HA 0.223 4.883 4.660 0.000 0.000 0.266 340 W C 1.656 178.186 176.519 0.018 0.000 1.247 340 W CA -0.274 57.104 57.345 0.055 0.000 1.440 340 W CB 0.255 29.777 29.460 0.104 0.000 1.040 340 W HN -0.077 nan 8.180 nan 0.000 0.606 341 L N -0.268 121.065 121.223 0.185 0.000 2.731 341 L HA 0.234 4.574 4.340 0.000 0.000 0.240 341 L C 0.439 177.462 176.870 0.255 0.000 1.120 341 L CA 0.134 55.051 54.840 0.129 0.000 0.913 341 L CB -0.367 41.614 42.059 -0.130 0.000 1.213 341 L HN -0.358 nan 8.230 nan 0.000 0.515 342 T N 1.019 115.729 114.554 0.261 0.000 2.866 342 T HA 0.228 4.578 4.350 0.000 0.000 0.293 342 T C 1.290 176.029 174.700 0.066 0.000 1.005 342 T CA 1.173 63.374 62.100 0.168 0.000 1.162 342 T CB 0.858 69.786 68.868 0.100 0.000 0.968 342 T HN 0.595 nan 8.240 nan 0.000 0.530 343 G N 2.550 111.355 108.800 0.008 0.000 2.284 343 G HA2 -0.271 3.689 3.960 0.000 0.000 0.247 343 G HA3 -0.271 3.689 3.960 0.000 0.000 0.247 343 G C 0.776 175.677 174.900 0.001 0.000 1.012 343 G CA 0.331 45.423 45.100 -0.013 0.000 0.618 343 G HN 0.660 nan 8.290 nan 0.000 0.521 344 L N 0.455 121.702 121.223 0.040 0.000 2.585 344 L HA 0.681 5.022 4.340 0.000 0.000 0.226 344 L C 1.211 178.093 176.870 0.021 0.000 1.113 344 L CA 0.808 55.665 54.840 0.028 0.000 0.876 344 L CB 0.150 42.235 42.059 0.042 0.000 1.072 344 L HN 0.739 nan 8.230 nan 0.000 0.468 345 A N -0.255 122.604 122.820 0.064 0.000 2.586 345 A HA 0.714 5.034 4.320 0.000 0.000 0.290 345 A C -1.456 176.168 177.584 0.067 0.000 1.086 345 A CA -0.591 51.493 52.037 0.079 0.000 0.665 345 A CB 1.300 20.378 19.000 0.130 0.000 1.279 345 A HN 0.055 nan 8.150 nan 0.000 0.423 346 E N -0.700 119.523 120.200 0.038 0.000 2.317 346 E HA 0.642 4.992 4.350 0.000 0.000 0.270 346 E C -1.579 175.063 176.600 0.069 0.000 0.885 346 E CA -0.376 55.921 56.400 -0.171 0.000 0.760 346 E CB 2.236 31.803 29.700 -0.221 0.000 1.227 346 E HN 0.775 nan 8.360 nan 0.000 0.434 347 W N -0.141 121.056 121.300 -0.173 0.000 3.248 347 W HA 0.494 5.155 4.660 0.000 0.000 0.311 347 W C -1.530 174.875 176.519 -0.189 0.000 1.258 347 W CA -0.835 56.436 57.345 -0.124 0.000 1.191 347 W CB 0.254 29.709 29.460 -0.009 0.000 1.389 347 W HN 0.424 nan 8.180 nan 0.000 0.561 348 H N 0.690 119.950 119.070 0.316 0.000 2.463 348 H HA 0.522 5.078 4.556 0.000 0.000 0.332 348 H C -0.073 175.453 175.328 0.329 0.000 1.127 348 H CA -1.027 55.155 56.048 0.224 0.000 1.238 348 H CB 1.777 31.655 29.762 0.194 0.000 1.478 348 H HN 0.354 nan 8.280 nan 0.000 0.499 349 V N 4.861 125.001 119.914 0.377 0.000 2.540 349 V HA 0.009 4.129 4.120 0.000 0.000 0.297 349 V C -1.870 174.396 176.094 0.286 0.000 1.024 349 V CA -1.102 61.377 62.300 0.298 0.000 1.105 349 V CB -0.108 31.830 31.823 0.192 0.000 0.938 349 V HN 0.712 nan 8.190 nan 0.000 0.482 350 P HA 0.195 nan 4.420 nan 0.000 0.268 350 P C 0.251 177.769 177.300 0.364 0.000 1.204 350 P CA -0.049 63.259 63.100 0.347 0.000 0.768 350 P CB 0.920 32.911 31.700 0.484 0.000 0.842 351 A N 2.223 125.192 122.820 0.248 0.000 2.147 351 A HA 0.548 4.869 4.320 0.000 0.000 0.211 351 A C 0.802 178.401 177.584 0.026 0.000 1.160 351 A CA 1.169 53.318 52.037 0.187 0.000 0.781 351 A CB -0.187 18.863 19.000 0.083 0.000 0.842 351 A HN 0.641 nan 8.150 nan 0.000 0.475 352 A N -3.221 119.528 122.820 -0.118 0.000 2.586 352 A HA 0.657 4.977 4.320 0.000 0.000 0.291 352 A C 0.470 177.792 177.584 -0.436 0.000 1.062 352 A CA 0.095 51.771 52.037 -0.602 0.000 0.666 352 A CB -0.227 18.565 19.000 -0.346 0.000 1.281 352 A HN 2.081 nan 8.150 nan 0.000 0.421 353 G N -0.389 108.035 108.800 -0.627 0.000 2.527 353 G HA2 0.152 4.112 3.960 0.000 0.000 0.227 353 G HA3 0.152 4.112 3.960 0.000 0.000 0.227 353 G C 0.358 174.915 174.900 -0.571 0.000 1.291 353 G CA 0.885 45.509 45.100 -0.793 0.000 0.904 353 G HN 2.324 nan 8.290 nan 0.000 0.577 354 M N -2.125 116.871 119.600 -1.007 0.000 2.687 354 M HA 0.670 5.151 4.480 0.000 0.000 0.413 354 M C -0.715 174.485 176.300 -1.833 0.000 1.216 354 M CA -0.174 54.209 55.300 -1.527 0.000 0.871 354 M CB 0.675 32.599 32.600 -1.127 0.000 1.481 354 M HN 0.271 nan 8.290 nan 0.000 0.521 355 F N 1.607 121.197 119.950 -0.599 0.000 2.551 355 F HA 0.718 5.245 4.527 0.000 0.000 0.316 355 F C -0.832 175.125 175.800 0.261 0.000 1.089 355 F CA -1.326 56.579 58.000 -0.157 0.000 0.915 355 F CB 1.908 40.825 39.000 -0.138 0.000 1.186 355 F HN -0.015 nan 8.300 nan 0.000 0.456 356 L N 3.824 125.383 121.223 0.560 0.000 2.296 356 L HA 0.421 4.761 4.340 0.000 0.000 0.286 356 L C -1.371 175.783 176.870 0.473 0.000 1.023 356 L CA -0.750 54.381 54.840 0.485 0.000 0.812 356 L CB 1.169 43.455 42.059 0.380 0.000 1.223 356 L HN 0.747 nan 8.230 nan 0.000 0.421 357 W N 8.294 129.730 121.300 0.227 0.000 2.294 357 W HA 0.516 5.177 4.660 0.000 0.000 0.314 357 W C -1.472 175.224 176.519 0.296 0.000 1.044 357 W CA -0.843 56.625 57.345 0.205 0.000 1.284 357 W CB 1.256 30.805 29.460 0.148 0.000 1.231 357 W HN 0.408 nan 8.180 nan 0.000 0.419 358 I N 6.428 127.033 120.570 0.059 0.000 2.389 358 I HA 0.191 4.361 4.170 0.000 0.000 0.288 358 I C 0.170 176.159 176.117 -0.213 0.000 0.999 358 I CA -0.687 60.614 61.300 0.002 0.000 1.129 358 I CB 1.857 39.821 38.000 -0.061 0.000 1.288 358 I HN 0.220 nan 8.210 nan 0.000 0.444 359 K N 6.317 126.576 120.400 -0.235 0.000 2.267 359 K HA 0.409 4.729 4.320 0.000 0.000 0.282 359 K C -0.898 175.509 176.600 -0.322 0.000 1.078 359 K CA -0.439 55.495 56.287 -0.590 0.000 0.903 359 K CB 1.059 33.202 32.500 -0.594 0.000 1.111 359 K HN 0.383 nan 8.250 nan 0.000 0.475 360 V N 5.618 125.343 119.914 -0.316 0.000 2.530 360 V HA 0.101 4.221 4.120 0.000 0.000 0.282 360 V C 0.335 176.327 176.094 -0.169 0.000 1.048 360 V CA -0.373 61.819 62.300 -0.180 0.000 0.997 360 V CB 1.031 32.772 31.823 -0.137 0.000 0.987 360 V HN 0.713 nan 8.190 nan 0.000 0.477 361 K N 3.264 123.597 120.400 -0.111 0.000 2.270 361 K HA 0.397 4.717 4.320 0.000 0.000 0.276 361 K C 1.179 177.734 176.600 -0.074 0.000 1.023 361 K CA 0.610 56.841 56.287 -0.094 0.000 0.955 361 K CB 0.802 33.261 32.500 -0.068 0.000 0.975 361 K HN 1.064 nan 8.250 nan 0.000 0.471 362 G N 2.116 110.874 108.800 -0.070 0.000 2.168 362 G HA2 -0.265 3.695 3.960 0.000 0.000 0.257 362 G HA3 -0.265 3.695 3.960 0.000 0.000 0.257 362 G C -0.139 174.732 174.900 -0.049 0.000 0.997 362 G CA 0.095 45.164 45.100 -0.051 0.000 0.708 362 G HN 0.509 nan 8.290 nan 0.000 0.520 363 I N -0.487 120.045 120.570 -0.063 0.000 2.534 363 I HA 0.360 4.530 4.170 0.000 0.000 0.288 363 I C 0.738 176.817 176.117 -0.064 0.000 1.077 363 I CA -1.006 60.261 61.300 -0.055 0.000 1.051 363 I CB 1.892 39.861 38.000 -0.053 0.000 1.234 363 I HN -0.052 nan 8.210 nan 0.000 0.425 364 N N 2.149 120.821 118.700 -0.047 0.000 2.135 364 N HA -0.061 4.679 4.740 0.000 0.000 0.186 364 N C -0.188 175.298 175.510 -0.041 0.000 1.027 364 N CA 1.071 54.095 53.050 -0.043 0.000 0.849 364 N CB 0.107 38.576 38.487 -0.030 0.000 1.002 364 N HN 0.620 nan 8.380 nan 0.000 0.425 365 D N -1.439 118.943 120.400 -0.030 0.000 2.649 365 D HA 0.321 4.961 4.640 0.000 0.000 0.249 365 D C -0.102 176.188 176.300 -0.016 0.000 1.112 365 D CA -0.432 53.557 54.000 -0.019 0.000 0.850 365 D CB 1.934 42.728 40.800 -0.010 0.000 1.399 365 D HN -0.245 nan 8.370 nan 0.000 0.503 366 V N 4.100 124.010 119.914 -0.007 0.000 3.660 366 V HA 0.070 4.190 4.120 0.000 0.000 0.276 366 V C 2.103 178.207 176.094 0.017 0.000 1.317 366 V CA 0.312 62.609 62.300 -0.005 0.000 1.097 366 V CB -0.165 31.645 31.823 -0.022 0.000 0.863 366 V HN 0.598 nan 8.190 nan 0.000 0.438 367 K N 1.268 121.684 120.400 0.026 0.000 2.026 367 K HA -0.244 4.077 4.320 0.000 0.000 0.208 367 K C 2.071 178.685 176.600 0.024 0.000 1.048 367 K CA 2.099 58.407 56.287 0.034 0.000 0.929 367 K CB 0.035 32.555 32.500 0.034 0.000 0.713 367 K HN 0.760 nan 8.250 nan 0.000 0.439 368 E N 0.919 121.128 120.200 0.014 0.000 2.035 368 E HA -0.287 4.063 4.350 0.000 0.000 0.204 368 E C 2.052 178.658 176.600 0.010 0.000 1.025 368 E CA 1.624 58.030 56.400 0.009 0.000 0.835 368 E CB -0.756 28.946 29.700 0.003 0.000 0.764 368 E HN 0.205 nan 8.360 nan 0.000 0.457 369 L N 0.614 121.842 121.223 0.008 0.000 2.137 369 L HA -0.184 4.157 4.340 0.000 0.000 0.213 369 L C 2.165 179.044 176.870 0.015 0.000 1.085 369 L CA 1.711 56.555 54.840 0.007 0.000 0.760 369 L CB -0.163 41.896 42.059 0.001 0.000 0.893 369 L HN 0.261 nan 8.230 nan 0.000 0.434 370 I N -1.512 119.073 120.570 0.024 0.000 2.512 370 I HA -0.123 4.047 4.170 0.000 0.000 0.247 370 I C 2.330 178.467 176.117 0.033 0.000 1.094 370 I CA 0.690 62.011 61.300 0.035 0.000 1.427 370 I CB -0.235 37.797 38.000 0.053 0.000 1.149 370 I HN 0.180 nan 8.210 nan 0.000 0.438 371 E N 0.492 120.711 120.200 0.031 0.000 2.047 371 E HA -0.250 4.100 4.350 0.000 0.000 0.191 371 E C 1.869 178.481 176.600 0.020 0.000 0.987 371 E CA 1.319 57.736 56.400 0.028 0.000 0.799 371 E CB 0.015 29.731 29.700 0.026 0.000 0.752 371 E HN 0.369 nan 8.360 nan 0.000 0.449 372 E N 0.970 121.179 120.200 0.016 0.000 2.004 372 E HA -0.120 4.230 4.350 0.000 0.000 0.192 372 E C 2.003 178.609 176.600 0.010 0.000 0.987 372 E CA 1.155 57.562 56.400 0.011 0.000 0.822 372 E CB 0.224 29.929 29.700 0.008 0.000 0.779 372 E HN -0.059 nan 8.360 nan 0.000 0.458 373 K N 0.141 120.546 120.400 0.009 0.000 2.021 373 K HA 0.045 4.365 4.320 0.000 0.000 0.205 373 K C 2.186 178.789 176.600 0.006 0.000 1.047 373 K CA 1.036 57.327 56.287 0.005 0.000 0.943 373 K CB -0.544 31.957 32.500 0.003 0.000 0.725 373 K HN 0.188 nan 8.250 nan 0.000 0.439 374 A N 1.754 124.580 122.820 0.011 0.000 1.883 374 A HA -0.129 4.192 4.320 0.000 0.000 0.217 374 A C 2.568 180.159 177.584 0.012 0.000 1.186 374 A CA 1.701 53.745 52.037 0.012 0.000 0.624 374 A CB -0.881 18.134 19.000 0.025 0.000 0.822 374 A HN 0.052 nan 8.150 nan 0.000 0.444 375 V N 0.540 120.464 119.914 0.017 0.000 2.282 375 V HA -0.345 3.775 4.120 0.000 0.000 0.249 375 V C 2.572 178.671 176.094 0.008 0.000 1.057 375 V CA 2.639 64.949 62.300 0.016 0.000 1.032 375 V CB -0.784 31.050 31.823 0.019 0.000 0.645 375 V HN 0.778 nan 8.190 nan 0.000 0.447 376 K N -0.136 120.268 120.400 0.006 0.000 2.089 376 K HA -0.255 4.065 4.320 0.000 0.000 0.210 376 K C 1.875 178.474 176.600 -0.003 0.000 1.048 376 K CA 2.278 58.566 56.287 0.002 0.000 0.926 376 K CB -0.324 32.177 32.500 0.001 0.000 0.714 376 K HN 0.372 nan 8.250 nan 0.000 0.448 377 M N -0.684 118.913 119.600 -0.005 0.000 2.561 377 M HA 0.199 4.679 4.480 0.000 0.000 0.238 377 M C 0.517 176.808 176.300 -0.016 0.000 1.131 377 M CA 1.069 56.361 55.300 -0.014 0.000 1.046 377 M CB 0.886 33.474 32.600 -0.019 0.000 1.532 377 M HN 0.450 nan 8.290 nan 0.000 0.497 378 G N 0.046 108.842 108.800 -0.007 0.000 2.132 378 G HA2 -0.151 3.810 3.960 0.000 0.000 0.228 378 G HA3 -0.151 3.810 3.960 0.000 0.000 0.228 378 G C -0.369 174.527 174.900 -0.007 0.000 1.000 378 G CA 0.057 45.153 45.100 -0.007 0.000 0.693 378 G HN 0.364 nan 8.290 nan 0.000 0.515 379 V N 0.258 120.172 119.914 -0.000 0.000 2.709 379 V HA 0.772 4.892 4.120 0.000 0.000 0.308 379 V C -0.632 175.479 176.094 0.028 0.000 1.062 379 V CA -1.033 61.271 62.300 0.006 0.000 0.901 379 V CB 1.987 33.808 31.823 -0.004 0.000 1.003 379 V HN 0.276 nan 8.190 nan 0.000 0.425 380 L N 5.851 127.099 121.223 0.042 0.000 2.377 380 L HA 0.653 4.994 4.340 0.000 0.000 0.270 380 L C -0.324 176.599 176.870 0.089 0.000 0.991 380 L CA 0.028 54.905 54.840 0.062 0.000 0.851 380 L CB 1.365 43.460 42.059 0.060 0.000 1.218 380 L HN 0.608 nan 8.230 nan 0.000 0.420 381 M N 3.505 123.166 119.600 0.103 0.000 2.762 381 M HA 0.501 4.981 4.480 0.000 0.000 0.306 381 M C -1.099 175.291 176.300 0.151 0.000 1.223 381 M CA -1.127 54.257 55.300 0.140 0.000 0.896 381 M CB 2.264 34.952 32.600 0.146 0.000 1.684 381 M HN 0.348 nan 8.290 nan 0.000 0.491 382 L N 2.596 123.937 121.223 0.196 0.000 2.287 382 L HA 0.538 4.878 4.340 0.000 0.000 0.287 382 L C -2.523 174.508 176.870 0.268 0.000 1.022 382 L CA -1.495 53.483 54.840 0.230 0.000 0.814 382 L CB 1.349 43.582 42.059 0.290 0.000 1.217 382 L HN 0.267 nan 8.230 nan 0.000 0.420 383 P HA 0.244 nan 4.420 nan 0.000 0.274 383 P C 0.380 177.920 177.300 0.401 0.000 1.231 383 P CA -0.272 62.968 63.100 0.232 0.000 0.790 383 P CB 0.849 32.638 31.700 0.149 0.000 0.951 384 G N 1.574 110.644 108.800 0.451 0.000 2.650 384 G HA2 -0.164 3.796 3.960 0.000 0.000 0.214 384 G HA3 -0.164 3.796 3.960 0.000 0.000 0.214 384 G C 1.122 176.501 174.900 0.797 0.000 1.136 384 G CA 0.027 45.628 45.100 0.836 0.000 0.789 384 G HN 0.479 nan 8.290 nan 0.000 0.536 385 N N 1.635 120.589 118.700 0.423 0.000 2.060 385 N HA -0.226 4.514 4.740 0.000 0.000 0.195 385 N C 2.344 177.992 175.510 0.230 0.000 1.028 385 N CA 1.498 54.719 53.050 0.284 0.000 0.861 385 N CB -0.218 38.341 38.487 0.119 0.000 1.029 385 N HN 0.348 nan 8.380 nan 0.000 0.428 386 A N 0.199 123.002 122.820 -0.028 0.000 2.239 386 A HA 0.022 4.342 4.320 0.000 0.000 0.209 386 A C 0.980 178.263 177.584 -0.501 0.000 1.171 386 A CA 0.462 52.306 52.037 -0.323 0.000 0.768 386 A CB -0.560 18.144 19.000 -0.493 0.000 0.790 386 A HN 0.201 nan 8.150 nan 0.000 0.478 387 F N -2.002 118.005 119.950 0.095 0.000 2.660 387 F HA 0.314 4.841 4.527 0.000 0.000 0.302 387 F C -0.056 175.532 175.800 -0.354 0.000 1.103 387 F CA -0.250 57.663 58.000 -0.144 0.000 1.340 387 F CB -0.293 38.557 39.000 -0.249 0.000 1.048 387 F HN 0.148 nan 8.300 nan 0.000 0.551 388 Y N -2.024 118.333 120.300 0.094 0.000 2.562 388 Y HA 0.381 4.931 4.550 0.000 0.000 0.343 388 Y C 1.005 176.907 175.900 0.004 0.000 1.025 388 Y CA -1.060 57.081 58.100 0.068 0.000 1.082 388 Y CB 1.333 39.850 38.460 0.095 0.000 1.264 388 Y HN -0.338 nan 8.280 nan 0.000 0.478 389 V N 0.036 120.043 119.914 0.155 0.000 2.295 389 V HA -0.211 3.909 4.120 0.000 0.000 0.246 389 V C 0.402 176.529 176.094 0.055 0.000 1.049 389 V CA 1.960 64.297 62.300 0.063 0.000 1.024 389 V CB -0.271 31.579 31.823 0.047 0.000 0.648 389 V HN 0.719 nan 8.190 nan 0.000 0.447 390 D N -0.214 120.240 120.400 0.090 0.000 2.441 390 D HA 0.127 4.767 4.640 0.000 0.000 0.221 390 D C 1.111 177.445 176.300 0.056 0.000 1.156 390 D CA 0.423 54.451 54.000 0.047 0.000 0.896 390 D CB 0.931 41.749 40.800 0.030 0.000 1.028 390 D HN 0.323 nan 8.370 nan 0.000 0.509 391 S N 1.168 116.887 115.700 0.033 0.000 2.593 391 S HA -0.073 4.397 4.470 0.000 0.000 0.217 391 S C 1.659 176.265 174.600 0.010 0.000 0.966 391 S CA 0.333 58.558 58.200 0.041 0.000 0.914 391 S CB -0.131 63.068 63.200 -0.003 0.000 0.776 391 S HN 0.339 nan 8.310 nan 0.000 0.523 392 S N 1.609 117.306 115.700 -0.005 0.000 2.458 392 S HA 0.439 4.910 4.470 0.000 0.000 0.223 392 S C 1.036 175.627 174.600 -0.015 0.000 1.019 392 S CA 0.120 58.313 58.200 -0.010 0.000 0.937 392 S CB -0.666 62.526 63.200 -0.013 0.000 0.788 392 S HN 0.743 nan 8.310 nan 0.000 0.511 393 A N 3.522 126.328 122.820 -0.024 0.000 2.587 393 A HA 0.411 4.731 4.320 0.000 0.000 0.233 393 A C -2.262 175.291 177.584 -0.052 0.000 1.049 393 A CA -0.790 51.219 52.037 -0.046 0.000 0.754 393 A CB -0.735 18.220 19.000 -0.075 0.000 0.977 393 A HN 0.362 nan 8.150 nan 0.000 0.509 394 P HA 0.165 nan 4.420 nan 0.000 0.267 394 P C -0.360 176.911 177.300 -0.049 0.000 1.200 394 P CA 0.280 63.359 63.100 -0.035 0.000 0.772 394 P CB 0.751 32.432 31.700 -0.031 0.000 0.855 395 S N 2.418 118.112 115.700 -0.010 0.000 2.672 395 S HA 0.458 4.928 4.470 0.000 0.000 0.291 395 S C -2.150 172.458 174.600 0.013 0.000 1.145 395 S CA -1.686 56.533 58.200 0.031 0.000 1.013 395 S CB 1.109 64.384 63.200 0.126 0.000 1.017 395 S HN 0.260 nan 8.310 nan 0.000 0.487 396 P HA 0.109 nan 4.420 nan 0.000 0.249 396 P C -0.508 176.603 177.300 -0.316 0.000 1.229 396 P CA 0.184 63.165 63.100 -0.198 0.000 0.788 396 P CB -0.097 31.417 31.700 -0.310 0.000 1.072 397 Y N 1.096 121.259 120.300 -0.228 0.000 2.376 397 Y HA 0.444 4.994 4.550 0.000 0.000 0.325 397 Y C 0.932 176.603 175.900 -0.381 0.000 1.199 397 Y CA -0.986 56.792 58.100 -0.536 0.000 1.206 397 Y CB 0.987 38.728 38.460 -1.198 0.000 1.229 397 Y HN -0.230 nan 8.280 nan 0.000 0.480 398 L N 0.112 121.203 121.223 -0.219 0.000 2.409 398 L HA 0.707 5.047 4.340 0.000 0.000 0.262 398 L C -0.828 176.116 176.870 0.123 0.000 0.992 398 L CA -1.304 53.542 54.840 0.010 0.000 0.817 398 L CB 2.029 44.121 42.059 0.056 0.000 1.350 398 L HN 0.523 nan 8.230 nan 0.000 0.411 399 R N 1.944 122.633 120.500 0.315 0.000 2.229 399 R HA 0.840 5.180 4.340 0.000 0.000 0.328 399 R C -0.973 175.509 176.300 0.302 0.000 1.009 399 R CA -0.214 56.100 56.100 0.356 0.000 0.864 399 R CB 1.237 31.634 30.300 0.161 0.000 1.085 399 R HN 1.005 nan 8.270 nan 0.000 0.453 400 A N 3.375 126.405 122.820 0.349 0.000 2.303 400 A HA 0.330 4.650 4.320 0.000 0.000 0.320 400 A C -0.558 177.271 177.584 0.409 0.000 1.192 400 A CA -0.535 51.712 52.037 0.351 0.000 0.821 400 A CB 1.662 20.888 19.000 0.378 0.000 1.188 400 A HN 0.674 nan 8.150 nan 0.000 0.492 401 S N 1.400 117.312 115.700 0.353 0.000 2.513 401 S HA 0.508 4.978 4.470 0.000 0.000 0.276 401 S C 0.146 174.831 174.600 0.141 0.000 1.254 401 S CA -0.444 57.890 58.200 0.223 0.000 1.053 401 S CB -0.123 63.202 63.200 0.209 0.000 0.958 401 S HN 1.031 nan 8.310 nan 0.000 0.491 402 F N 2.843 122.820 119.950 0.045 0.000 2.668 402 F HA 0.345 4.872 4.527 0.000 0.000 0.301 402 F C 1.564 177.367 175.800 0.005 0.000 1.106 402 F CA -0.229 57.773 58.000 0.003 0.000 1.289 402 F CB -0.780 38.208 39.000 -0.020 0.000 1.006 402 F HN 0.530 nan 8.300 nan 0.000 0.535 403 S N -0.978 114.722 115.700 0.000 0.000 2.428 403 S HA -0.047 4.423 4.470 0.000 0.000 0.230 403 S C 1.486 176.186 174.600 0.167 0.000 1.014 403 S CA 1.258 59.546 58.200 0.147 0.000 0.957 403 S CB -0.419 62.898 63.200 0.194 0.000 0.784 403 S HN 0.358 nan 8.310 nan 0.000 0.499 404 S N 0.617 116.392 115.700 0.126 0.000 2.930 404 S HA 0.585 5.056 4.470 0.000 0.000 0.253 404 S C 0.821 175.474 174.600 0.088 0.000 1.083 404 S CA 0.037 58.310 58.200 0.122 0.000 0.836 404 S CB -0.090 63.165 63.200 0.092 0.000 0.814 404 S HN 0.749 nan 8.310 nan 0.000 0.467 405 A N 3.016 125.869 122.820 0.056 0.000 2.555 405 A HA 0.429 4.750 4.320 0.000 0.000 0.233 405 A C 0.696 178.280 177.584 0.000 0.000 1.060 405 A CA 0.004 52.050 52.037 0.014 0.000 0.759 405 A CB -0.100 18.888 19.000 -0.021 0.000 0.995 405 A HN 0.535 nan 8.150 nan 0.000 0.506 406 S N 2.305 117.998 115.700 -0.011 0.000 2.617 406 S HA 0.403 4.874 4.470 0.000 0.000 0.269 406 S C -1.899 172.671 174.600 -0.049 0.000 1.292 406 S CA -0.844 57.345 58.200 -0.019 0.000 1.010 406 S CB 0.588 63.782 63.200 -0.010 0.000 0.944 406 S HN 0.460 nan 8.310 nan 0.000 0.536 407 P HA -0.175 nan 4.420 nan 0.000 0.216 407 P C 1.269 178.546 177.300 -0.039 0.000 1.154 407 P CA 1.554 64.623 63.100 -0.052 0.000 0.865 407 P CB -0.015 31.662 31.700 -0.039 0.000 0.789 408 E N -0.458 119.726 120.200 -0.027 0.000 2.049 408 E HA -0.259 4.092 4.350 0.000 0.000 0.198 408 E C 2.169 178.738 176.600 -0.053 0.000 1.007 408 E CA 1.339 57.725 56.400 -0.023 0.000 0.809 408 E CB -0.446 29.243 29.700 -0.017 0.000 0.749 408 E HN 0.439 nan 8.360 nan 0.000 0.450 409 Q N -0.186 119.574 119.800 -0.067 0.000 2.167 409 Q HA -0.090 4.250 4.340 0.000 0.000 0.202 409 Q C 2.175 178.076 176.000 -0.166 0.000 0.970 409 Q CA 1.068 56.816 55.803 -0.093 0.000 0.855 409 Q CB -0.031 28.667 28.738 -0.066 0.000 0.911 409 Q HN 0.337 nan 8.270 nan 0.000 0.438 410 M N 0.563 120.042 119.600 -0.202 0.000 2.099 410 M HA -0.185 4.295 4.480 0.000 0.000 0.262 410 M C 2.010 178.088 176.300 -0.371 0.000 1.067 410 M CA 1.322 56.390 55.300 -0.386 0.000 1.124 410 M CB -0.355 32.049 32.600 -0.326 0.000 1.353 410 M HN 0.256 nan 8.290 nan 0.000 0.410 411 D N 0.434 120.751 120.400 -0.138 0.000 2.092 411 D HA -0.161 4.479 4.640 0.000 0.000 0.193 411 D C 1.846 178.015 176.300 -0.219 0.000 0.994 411 D CA 1.644 55.647 54.000 0.005 0.000 0.828 411 D CB 0.131 41.015 40.800 0.141 0.000 0.963 411 D HN 0.137 nan 8.370 nan 0.000 0.450 412 V N 1.697 121.495 119.914 -0.193 0.000 2.287 412 V HA -0.266 3.854 4.120 0.000 0.000 0.248 412 V C 2.830 178.778 176.094 -0.244 0.000 1.053 412 V CA 2.012 64.175 62.300 -0.228 0.000 1.027 412 V CB -1.011 30.729 31.823 -0.137 0.000 0.646 412 V HN 0.334 nan 8.190 nan 0.000 0.447 413 A N -0.349 122.338 122.820 -0.223 0.000 1.908 413 A HA -0.198 4.122 4.320 0.000 0.000 0.218 413 A C 2.035 179.608 177.584 -0.018 0.000 1.181 413 A CA 1.996 53.939 52.037 -0.157 0.000 0.627 413 A CB -0.640 18.228 19.000 -0.221 0.000 0.818 413 A HN 0.472 nan 8.150 nan 0.000 0.445 414 F N 0.149 119.977 119.950 -0.203 0.000 2.293 414 F HA -0.052 4.475 4.527 0.000 0.000 0.297 414 F C 2.590 178.173 175.800 -0.362 0.000 1.089 414 F CA 0.735 58.625 58.000 -0.184 0.000 1.377 414 F CB -1.191 37.804 39.000 -0.008 0.000 1.051 414 F HN 0.364 nan 8.300 nan 0.000 0.511 415 Q N -0.071 119.304 119.800 -0.709 0.000 2.061 415 Q HA -0.173 4.167 4.340 0.000 0.000 0.204 415 Q C 2.394 178.184 176.000 -0.349 0.000 0.984 415 Q CA 1.953 57.206 55.803 -0.917 0.000 0.846 415 Q CB -0.645 27.385 28.738 -1.180 0.000 0.902 415 Q HN 0.228 nan 8.270 nan 0.000 0.421 416 V N 0.980 120.752 119.914 -0.237 0.000 2.295 416 V HA -0.250 3.870 4.120 0.000 0.000 0.246 416 V C 2.185 178.251 176.094 -0.046 0.000 1.049 416 V CA 1.547 63.780 62.300 -0.112 0.000 1.024 416 V CB -0.559 31.216 31.823 -0.080 0.000 0.648 416 V HN 0.310 nan 8.190 nan 0.000 0.447 417 L N 0.890 122.113 121.223 -0.001 0.000 2.017 417 L HA -0.092 4.249 4.340 0.000 0.000 0.208 417 L C 2.471 179.343 176.870 0.003 0.000 1.073 417 L CA 2.381 57.234 54.840 0.022 0.000 0.745 417 L CB -1.021 41.078 42.059 0.066 0.000 0.894 417 L HN 0.219 nan 8.230 nan 0.000 0.432 418 A N -0.880 121.950 122.820 0.017 0.000 1.873 418 A HA -0.334 3.987 4.320 0.000 0.000 0.218 418 A C 2.277 179.883 177.584 0.036 0.000 1.193 418 A CA 2.036 54.108 52.037 0.057 0.000 0.629 418 A CB -0.935 18.164 19.000 0.165 0.000 0.826 418 A HN 0.598 nan 8.150 nan 0.000 0.447 419 Q N -0.034 119.769 119.800 0.005 0.000 2.045 419 Q HA -0.153 4.187 4.340 0.000 0.000 0.206 419 Q C 1.862 177.863 176.000 0.002 0.000 0.991 419 Q CA 2.199 58.002 55.803 0.001 0.000 0.851 419 Q CB -0.568 28.153 28.738 -0.028 0.000 0.911 419 Q HN 0.661 nan 8.270 nan 0.000 0.418 420 L N -0.603 120.617 121.223 -0.005 0.000 2.109 420 L HA -0.099 4.241 4.340 0.000 0.000 0.207 420 L C 2.369 179.237 176.870 -0.003 0.000 1.086 420 L CA 0.684 55.521 54.840 -0.004 0.000 0.760 420 L CB -0.366 41.691 42.059 -0.004 0.000 0.910 420 L HN 0.272 nan 8.230 nan 0.000 0.437 421 I N -0.098 120.470 120.570 -0.002 0.000 2.127 421 I HA -0.333 3.837 4.170 0.000 0.000 0.241 421 I C 2.578 178.694 176.117 -0.002 0.000 1.075 421 I CA 1.534 62.830 61.300 -0.007 0.000 1.334 421 I CB -0.264 37.731 38.000 -0.009 0.000 1.040 421 I HN 0.193 nan 8.210 nan 0.000 0.405 422 K N 0.601 121.006 120.400 0.009 0.000 2.026 422 K HA -0.198 4.122 4.320 0.000 0.000 0.208 422 K C 1.971 178.574 176.600 0.006 0.000 1.048 422 K CA 1.526 57.820 56.287 0.011 0.000 0.929 422 K CB -0.143 32.371 32.500 0.024 0.000 0.713 422 K HN 0.345 nan 8.250 nan 0.000 0.439 423 E N 0.056 120.259 120.200 0.005 0.000 2.265 423 E HA -0.093 4.258 4.350 0.000 0.000 0.196 423 E C 1.285 177.884 176.600 -0.002 0.000 0.996 423 E CA 0.836 57.237 56.400 0.002 0.000 0.832 423 E CB 0.167 29.868 29.700 0.001 0.000 0.756 423 E HN 0.145 nan 8.360 nan 0.000 0.491 424 S N -0.084 115.614 115.700 -0.004 0.000 2.556 424 S HA 0.171 4.642 4.470 0.000 0.000 0.216 424 S C 0.235 174.829 174.600 -0.010 0.000 0.970 424 S CA -0.069 58.126 58.200 -0.008 0.000 0.912 424 S CB 0.075 63.269 63.200 -0.010 0.000 0.790 424 S HN 0.162 nan 8.310 nan 0.000 0.504 425 L N 0.000 121.218 121.223 -0.008 0.000 2.949 425 L HA 0.000 4.340 4.340 0.000 0.000 0.249 425 L CA 0.000 54.835 54.840 -0.009 0.000 0.813 425 L CB 0.000 42.054 42.059 -0.008 0.000 0.961 425 L HN 0.000 nan 8.230 nan 0.000 0.502