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 1wdd_1_E DATA FIRST_RESID 12 DATA SEQUENCE GFKAGVKDYK LTYYTPEYET KDTDILAAFR VTPQPGVPPE EAGAAVAAES DATA SEQUENCE STGTWTTVWT DGLTSLDRYK GRCYHIEPVV GEDNQYIAYV AYPLDLFEEG DATA SEQUENCE SVTNMFTSIV GNVFGFKALR ALRLEDLRIP PTYSKTFQGP PHGIQVERDK DATA SEQUENCE LNKYGRPLLG CTIKPKLGLS AKNYGRACYE CLRGGLDFTX DDENVNSQPF DATA SEQUENCE MRWRDRFVFC AEAIYKSQAE TGEIKGHYLN ATAGTCEEMI KRAVFARELG DATA SEQUENCE VPIVMHDYLT GGFTANTSLA HYCRDNGLLL HIHRAMHAVI DRQKNHGMHF DATA SEQUENCE RVLAKALRMS GGDHIHAGTV VGKLEGEREM TLGFVDLLRD DFIEKDRARG DATA SEQUENCE IFFTQDWVSM PGVIPVASGG IHVWHMPALT EIFGDDSVLQ FGGGTLGHPW DATA SEQUENCE GNAPGAAANR VALEACVQAR NEGRDLAREG NEIIRSACKW SPELAAACEI DATA SEQUENCE WKAIKFEFEP VDKL 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 12 G HA2 0.000 nan 3.960 nan 0.000 0.244 12 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 12 G C 0.000 174.994 174.900 0.157 0.000 0.946 12 G CA 0.000 45.156 45.100 0.094 0.000 0.502 13 F N 1.630 121.600 119.950 0.033 0.000 2.467 13 F HA 0.739 5.268 4.527 0.003 0.000 0.362 13 F C 0.138 175.954 175.800 0.027 0.000 1.090 13 F CA -1.273 56.758 58.000 0.052 0.000 1.202 13 F CB 1.608 40.663 39.000 0.092 0.000 1.113 13 F HN 0.323 nan 8.300 nan 0.000 0.541 14 K N 5.940 126.119 120.400 -0.369 0.000 2.507 14 K HA 0.671 4.993 4.320 0.003 0.000 0.253 14 K C -0.882 175.310 176.600 -0.680 0.000 0.969 14 K CA -0.434 55.562 56.287 -0.485 0.000 0.908 14 K CB 0.874 33.260 32.500 -0.190 0.000 1.127 14 K HN 0.734 nan 8.250 nan 0.000 0.437 15 A N 2.731 124.982 122.820 -0.949 0.000 2.425 15 A HA 0.679 5.001 4.320 0.003 0.000 0.242 15 A C 0.548 177.976 177.584 -0.261 0.000 1.077 15 A CA 0.758 52.439 52.037 -0.593 0.000 0.781 15 A CB -0.235 18.505 19.000 -0.433 0.000 1.020 15 A HN 1.167 nan 8.150 nan 0.000 0.494 16 G N -1.251 107.453 108.800 -0.159 0.000 2.381 16 G HA2 0.325 4.287 3.960 0.003 0.000 0.672 16 G HA3 0.325 4.287 3.960 0.003 0.000 0.672 16 G C -0.975 173.856 174.900 -0.115 0.000 1.324 16 G CA -0.427 44.605 45.100 -0.112 0.000 0.975 16 G HN 1.425 nan 8.290 nan 0.000 0.593 17 V N 1.530 121.405 119.914 -0.065 0.000 2.465 17 V HA 0.654 4.776 4.120 0.003 0.000 0.279 17 V C 0.634 176.697 176.094 -0.052 0.000 1.045 17 V CA 0.501 62.769 62.300 -0.053 0.000 0.938 17 V CB 1.140 32.997 31.823 0.057 0.000 0.986 17 V HN 1.039 nan 8.190 nan 0.000 0.467 18 K N 2.029 122.379 120.400 -0.082 0.000 2.480 18 K HA 0.619 4.941 4.320 0.003 0.000 0.258 18 K C -1.377 175.167 176.600 -0.094 0.000 0.990 18 K CA -1.071 55.180 56.287 -0.060 0.000 0.857 18 K CB 1.837 34.315 32.500 -0.036 0.000 1.384 18 K HN 0.329 nan 8.250 nan 0.000 0.446 19 D N 1.010 121.386 120.400 -0.040 0.000 2.443 19 D HA 0.006 4.648 4.640 0.003 0.000 0.239 19 D C 0.593 176.910 176.300 0.027 0.000 1.136 19 D CA 0.213 54.203 54.000 -0.018 0.000 0.879 19 D CB 0.247 41.070 40.800 0.038 0.000 1.195 19 D HN 0.468 nan 8.370 nan 0.000 0.443 20 Y N 1.167 121.522 120.300 0.093 0.000 2.274 20 Y HA -0.203 4.349 4.550 0.003 0.000 0.290 20 Y C 2.307 178.326 175.900 0.199 0.000 1.145 20 Y CA 1.204 59.395 58.100 0.152 0.000 1.203 20 Y CB -0.259 38.219 38.460 0.029 0.000 0.984 20 Y HN 0.465 nan 8.280 nan 0.000 0.533 21 K N 0.437 121.000 120.400 0.272 0.000 2.280 21 K HA -0.145 4.176 4.320 0.003 0.000 0.202 21 K C 1.545 178.269 176.600 0.207 0.000 1.047 21 K CA 1.562 57.992 56.287 0.237 0.000 0.942 21 K CB -0.691 31.892 32.500 0.139 0.000 0.739 21 K HN 0.356 nan 8.250 nan 0.000 0.457 22 L N 1.085 122.396 121.223 0.148 0.000 2.275 22 L HA -0.080 4.262 4.340 0.003 0.000 0.215 22 L C 1.582 178.474 176.870 0.036 0.000 1.119 22 L CA 1.189 56.079 54.840 0.083 0.000 0.790 22 L CB -0.270 41.820 42.059 0.051 0.000 0.919 22 L HN 0.323 nan 8.230 nan 0.000 0.443 23 T N -3.152 111.422 114.554 0.034 0.000 2.987 23 T HA 0.067 4.419 4.350 0.003 0.000 0.248 23 T C 0.908 175.398 174.700 -0.349 0.000 0.997 23 T CA 0.177 62.154 62.100 -0.204 0.000 1.013 23 T CB 0.215 68.865 68.868 -0.363 0.000 1.077 23 T HN 0.124 nan 8.240 nan 0.000 0.483 24 Y N -0.107 120.240 120.300 0.078 0.000 2.467 24 Y HA 0.417 4.969 4.550 0.003 0.000 0.250 24 Y C -0.072 175.884 175.900 0.094 0.000 1.155 24 Y CA -1.115 57.014 58.100 0.048 0.000 1.249 24 Y CB 0.472 38.955 38.460 0.037 0.000 1.146 24 Y HN 0.166 nan 8.280 nan 0.000 0.524 25 Y N 2.134 122.485 120.300 0.085 0.000 2.369 25 Y HA 0.442 4.995 4.550 0.004 0.000 0.337 25 Y C -0.057 175.869 175.900 0.044 0.000 0.961 25 Y CA -1.646 56.485 58.100 0.053 0.000 1.186 25 Y CB 0.805 39.288 38.460 0.037 0.000 1.139 25 Y HN 0.042 nan 8.280 nan 0.000 0.494 26 T N 5.784 120.163 114.554 -0.293 0.000 3.410 26 T HA 0.266 4.618 4.350 0.003 0.000 0.328 26 T C -2.300 172.279 174.700 -0.201 0.000 1.567 26 T CA -1.732 60.228 62.100 -0.232 0.000 1.626 26 T CB 1.057 69.870 68.868 -0.092 0.000 0.939 26 T HN 0.485 nan 8.240 nan 0.000 0.656 27 P HA -0.118 nan 4.420 nan 0.000 0.225 27 P C 1.095 178.400 177.300 0.007 0.000 1.148 27 P CA 1.005 63.983 63.100 -0.203 0.000 0.779 27 P CB 0.343 31.846 31.700 -0.329 0.000 0.780 28 E N -0.665 119.530 120.200 -0.009 0.000 2.479 28 E HA -0.097 4.254 4.350 0.003 0.000 0.193 28 E C 0.239 176.875 176.600 0.060 0.000 1.049 28 E CA -0.626 55.789 56.400 0.025 0.000 0.870 28 E CB -1.120 28.580 29.700 -0.001 0.000 0.944 28 E HN 0.256 nan 8.360 nan 0.000 0.492 29 Y N 2.511 122.794 120.300 -0.028 0.000 2.511 29 Y HA 0.123 4.675 4.550 0.003 0.000 0.332 29 Y C -0.174 175.668 175.900 -0.097 0.000 1.177 29 Y CA -0.117 57.951 58.100 -0.054 0.000 1.422 29 Y CB 0.586 39.024 38.460 -0.036 0.000 1.271 29 Y HN -0.128 nan 8.280 nan 0.000 0.550 30 E N 4.029 123.778 120.200 -0.751 0.000 2.134 30 E HA 0.192 4.544 4.350 0.003 0.000 0.278 30 E C -0.354 175.572 176.600 -1.124 0.000 0.959 30 E CA -0.720 55.282 56.400 -0.662 0.000 0.783 30 E CB 0.831 30.290 29.700 -0.402 0.000 1.095 30 E HN 0.731 nan 8.360 nan 0.000 0.399 31 T N 0.999 115.058 114.554 -0.823 0.000 2.926 31 T HA 0.154 4.506 4.350 0.003 0.000 0.307 31 T C 0.179 174.660 174.700 -0.366 0.000 1.059 31 T CA -0.458 61.281 62.100 -0.600 0.000 1.122 31 T CB 0.792 69.402 68.868 -0.429 0.000 0.972 31 T HN 0.226 nan 8.240 nan 0.000 0.545 32 K N 1.505 121.792 120.400 -0.189 0.000 2.110 32 K HA 0.252 4.574 4.320 0.003 0.000 0.263 32 K C 0.433 176.995 176.600 -0.064 0.000 0.975 32 K CA -0.947 55.278 56.287 -0.103 0.000 0.895 32 K CB 1.029 33.513 32.500 -0.026 0.000 1.060 32 K HN 0.524 nan 8.250 nan 0.000 0.448 33 D N 0.890 121.259 120.400 -0.051 0.000 2.351 33 D HA -0.108 4.534 4.640 0.003 0.000 0.216 33 D C 1.347 177.638 176.300 -0.015 0.000 0.968 33 D CA 1.367 55.347 54.000 -0.033 0.000 0.899 33 D CB 0.064 40.853 40.800 -0.018 0.000 0.907 33 D HN 0.660 nan 8.370 nan 0.000 0.514 34 T N -2.549 112.007 114.554 0.003 0.000 3.060 34 T HA 0.028 4.380 4.350 0.003 0.000 0.249 34 T C 0.571 175.293 174.700 0.038 0.000 1.079 34 T CA -0.456 61.661 62.100 0.029 0.000 1.013 34 T CB 0.444 69.341 68.868 0.047 0.000 0.975 34 T HN -0.214 nan 8.240 nan 0.000 0.518 35 D N 1.455 121.874 120.400 0.031 0.000 2.372 35 D HA 0.324 4.966 4.640 0.003 0.000 0.243 35 D C 0.054 176.358 176.300 0.007 0.000 1.121 35 D CA -0.387 53.654 54.000 0.069 0.000 0.898 35 D CB 0.961 41.811 40.800 0.084 0.000 1.202 35 D HN 0.321 nan 8.370 nan 0.000 0.428 36 I N 2.252 122.850 120.570 0.048 0.000 2.395 36 I HA 0.152 4.324 4.170 0.003 0.000 0.289 36 I C 0.018 176.174 176.117 0.066 0.000 1.023 36 I CA -0.450 60.803 61.300 -0.079 0.000 1.350 36 I CB 0.592 38.406 38.000 -0.310 0.000 1.409 36 I HN 0.038 nan 8.210 nan 0.000 0.507 37 L N 6.254 127.378 121.223 -0.165 0.000 2.334 37 L HA 0.778 5.120 4.340 0.003 0.000 0.276 37 L C -0.086 176.665 176.870 -0.199 0.000 1.014 37 L CA -0.627 54.112 54.840 -0.168 0.000 0.815 37 L CB 1.759 43.474 42.059 -0.573 0.000 1.268 37 L HN 0.611 nan 8.230 nan 0.000 0.428 38 A N 1.982 124.904 122.820 0.170 0.000 2.386 38 A HA 0.886 5.208 4.320 0.003 0.000 0.311 38 A C -0.755 176.940 177.584 0.184 0.000 1.068 38 A CA -0.555 51.540 52.037 0.097 0.000 0.743 38 A CB 1.775 20.776 19.000 0.002 0.000 1.258 38 A HN 0.748 nan 8.150 nan 0.000 0.429 39 A N 1.640 124.413 122.820 -0.078 0.000 2.285 39 A HA 0.718 5.040 4.320 0.003 0.000 0.310 39 A C -1.180 176.049 177.584 -0.592 0.000 1.266 39 A CA -0.277 51.465 52.037 -0.492 0.000 0.832 39 A CB -0.137 18.332 19.000 -0.885 0.000 1.163 39 A HN 0.610 nan 8.150 nan 0.000 0.499 40 F N 1.301 121.034 119.950 -0.361 0.000 2.420 40 F HA 0.495 5.024 4.527 0.003 0.000 0.342 40 F C 0.929 176.573 175.800 -0.260 0.000 1.113 40 F CA -0.326 57.510 58.000 -0.273 0.000 1.059 40 F CB 1.706 40.565 39.000 -0.235 0.000 1.128 40 F HN 0.608 nan 8.300 nan 0.000 0.475 41 R N 3.421 123.922 120.500 0.001 0.000 2.205 41 R HA 0.542 4.884 4.340 0.003 0.000 0.342 41 R C -1.587 174.723 176.300 0.017 0.000 1.058 41 R CA -0.279 55.823 56.100 0.003 0.000 0.904 41 R CB 0.893 31.199 30.300 0.009 0.000 1.089 41 R HN 0.599 nan 8.270 nan 0.000 0.471 42 V N 4.445 124.376 119.914 0.027 0.000 2.459 42 V HA 0.443 4.565 4.120 0.003 0.000 0.295 42 V C -0.853 175.290 176.094 0.082 0.000 1.029 42 V CA -0.217 62.081 62.300 -0.003 0.000 0.874 42 V CB 2.243 34.020 31.823 -0.077 0.000 0.985 42 V HN 0.830 nan 8.190 nan 0.000 0.438 43 T N 9.281 123.866 114.554 0.052 0.000 2.893 43 T HA 0.468 4.820 4.350 0.003 0.000 0.324 43 T C -2.759 171.977 174.700 0.060 0.000 1.082 43 T CA -0.957 61.192 62.100 0.082 0.000 0.983 43 T CB 1.356 70.261 68.868 0.062 0.000 1.005 43 T HN 0.567 nan 8.240 nan 0.000 0.475 44 P HA 0.212 nan 4.420 nan 0.000 0.274 44 P C 0.075 177.394 177.300 0.032 0.000 1.246 44 P CA -0.734 62.379 63.100 0.021 0.000 0.795 44 P CB 0.600 32.292 31.700 -0.013 0.000 1.006 45 Q N 1.219 121.029 119.800 0.018 0.000 2.417 45 Q HA 0.202 4.544 4.340 0.003 0.000 0.241 45 Q C -2.036 173.976 176.000 0.019 0.000 1.008 45 Q CA -1.404 54.411 55.803 0.020 0.000 0.901 45 Q CB -0.811 27.937 28.738 0.017 0.000 1.259 45 Q HN 0.309 nan 8.270 nan 0.000 0.489 46 P HA 0.020 nan 4.420 nan 0.000 0.265 46 P C 0.446 177.753 177.300 0.011 0.000 1.193 46 P CA 1.014 64.125 63.100 0.018 0.000 0.765 46 P CB 0.371 32.080 31.700 0.015 0.000 0.823 47 G N 1.230 110.035 108.800 0.008 0.000 2.217 47 G HA2 -0.201 3.761 3.960 0.003 0.000 0.246 47 G HA3 -0.201 3.761 3.960 0.003 0.000 0.246 47 G C -0.034 174.862 174.900 -0.008 0.000 0.990 47 G CA -0.177 44.924 45.100 0.001 0.000 0.627 47 G HN 0.525 nan 8.290 nan 0.000 0.522 48 V N 2.867 122.773 119.914 -0.013 0.000 2.350 48 V HA 0.481 4.602 4.120 0.003 0.000 0.276 48 V C -1.640 174.409 176.094 -0.074 0.000 1.028 48 V CA -1.538 60.744 62.300 -0.030 0.000 0.860 48 V CB 1.496 33.307 31.823 -0.020 0.000 0.990 48 V HN 0.134 nan 8.190 nan 0.000 0.453 49 P HA 0.167 nan 4.420 nan 0.000 0.268 49 P C -1.918 175.217 177.300 -0.274 0.000 1.205 49 P CA -1.293 61.709 63.100 -0.163 0.000 0.771 49 P CB 0.240 31.855 31.700 -0.142 0.000 0.858 50 P HA -0.182 nan 4.420 nan 0.000 0.218 50 P C 0.954 177.936 177.300 -0.530 0.000 1.148 50 P CA 1.538 64.233 63.100 -0.676 0.000 0.822 50 P CB 0.170 31.029 31.700 -1.403 0.000 0.784 51 E N -0.097 119.783 120.200 -0.533 0.000 2.110 51 E HA -0.193 4.159 4.350 0.003 0.000 0.193 51 E C 2.083 178.424 176.600 -0.430 0.000 0.988 51 E CA 1.147 57.114 56.400 -0.720 0.000 0.804 51 E CB -0.625 28.554 29.700 -0.869 0.000 0.745 51 E HN 0.285 nan 8.360 nan 0.000 0.458 52 E N 0.426 120.468 120.200 -0.264 0.000 2.072 52 E HA -0.023 4.329 4.350 0.003 0.000 0.190 52 E C 1.856 178.371 176.600 -0.141 0.000 0.982 52 E CA 1.198 57.529 56.400 -0.115 0.000 0.803 52 E CB -0.317 29.356 29.700 -0.044 0.000 0.755 52 E HN 0.190 nan 8.360 nan 0.000 0.453 53 A N 0.343 123.044 122.820 -0.200 0.000 1.883 53 A HA -0.077 4.245 4.320 0.003 0.000 0.217 53 A C 2.472 179.874 177.584 -0.303 0.000 1.186 53 A CA 1.919 53.818 52.037 -0.229 0.000 0.624 53 A CB -1.423 17.448 19.000 -0.216 0.000 0.822 53 A HN 0.417 nan 8.150 nan 0.000 0.444 54 G N -0.777 107.848 108.800 -0.291 0.000 2.408 54 G HA2 0.049 4.011 3.960 0.003 0.000 0.217 54 G HA3 0.049 4.011 3.960 0.003 0.000 0.217 54 G C 1.718 176.480 174.900 -0.230 0.000 1.150 54 G CA 1.359 46.301 45.100 -0.263 0.000 0.776 54 G HN 0.804 nan 8.290 nan 0.000 0.542 55 A N 1.151 123.876 122.820 -0.157 0.000 1.933 55 A HA 0.303 4.625 4.320 0.003 0.000 0.218 55 A C 2.793 180.179 177.584 -0.330 0.000 1.175 55 A CA 2.125 54.127 52.037 -0.058 0.000 0.628 55 A CB -0.701 18.371 19.000 0.120 0.000 0.814 55 A HN 0.719 nan 8.150 nan 0.000 0.444 56 A N -0.555 121.956 122.820 -0.514 0.000 1.902 56 A HA 0.012 4.334 4.320 0.003 0.000 0.217 56 A C 2.227 179.200 177.584 -1.017 0.000 1.181 56 A CA 1.739 53.094 52.037 -1.138 0.000 0.623 56 A CB -0.900 17.586 19.000 -0.857 0.000 0.818 56 A HN 0.364 nan 8.150 nan 0.000 0.443 57 V N -0.137 119.323 119.914 -0.757 0.000 2.295 57 V HA -0.253 3.869 4.120 0.003 0.000 0.246 57 V C 3.068 178.829 176.094 -0.555 0.000 1.049 57 V CA 1.996 63.841 62.300 -0.757 0.000 1.024 57 V CB -1.212 30.085 31.823 -0.876 0.000 0.648 57 V HN 0.617 nan 8.190 nan 0.000 0.447 58 A N -0.146 122.423 122.820 -0.418 0.000 1.902 58 A HA -0.111 4.211 4.320 0.003 0.000 0.217 58 A C 2.415 179.796 177.584 -0.339 0.000 1.181 58 A CA 2.137 54.017 52.037 -0.262 0.000 0.623 58 A CB -0.780 18.151 19.000 -0.114 0.000 0.818 58 A HN 0.567 nan 8.150 nan 0.000 0.443 59 A N -0.383 122.021 122.820 -0.695 0.000 1.858 59 A HA -0.130 4.192 4.320 0.003 0.000 0.216 59 A C 1.816 179.055 177.584 -0.575 0.000 1.190 59 A CA 1.501 52.852 52.037 -1.143 0.000 0.617 59 A CB -0.414 17.712 19.000 -1.456 0.000 0.827 59 A HN 0.480 nan 8.150 nan 0.000 0.443 60 E N 0.408 120.267 120.200 -0.568 0.000 2.502 60 E HA -0.023 4.329 4.350 0.003 0.000 0.194 60 E C 1.081 177.582 176.600 -0.164 0.000 1.062 60 E CA 0.818 57.017 56.400 -0.335 0.000 0.867 60 E CB -0.073 29.317 29.700 -0.517 0.000 0.888 60 E HN 0.708 nan 8.360 nan 0.000 0.510 61 S N -1.130 114.502 115.700 -0.113 0.000 2.593 61 S HA 0.155 4.627 4.470 0.003 0.000 0.236 61 S C 1.264 175.961 174.600 0.161 0.000 0.991 61 S CA 0.148 58.392 58.200 0.072 0.000 0.963 61 S CB 0.381 63.703 63.200 0.204 0.000 0.865 61 S HN 0.139 nan 8.310 nan 0.000 0.488 62 S N 1.434 117.181 115.700 0.078 0.000 4.567 62 S HA 0.171 4.643 4.470 0.003 0.000 0.167 62 S C 1.313 175.943 174.600 0.050 0.000 1.007 62 S CA 0.598 58.866 58.200 0.113 0.000 1.212 62 S CB -0.214 63.109 63.200 0.205 0.000 1.741 62 S HN 0.524 nan 8.310 nan 0.000 0.689 63 T N -0.983 113.617 114.554 0.075 0.000 2.969 63 T HA 0.483 4.835 4.350 0.003 0.000 0.258 63 T C 0.826 175.581 174.700 0.091 0.000 0.962 63 T CA 0.399 62.556 62.100 0.094 0.000 0.903 63 T CB 0.145 69.127 68.868 0.189 0.000 1.177 63 T HN 0.732 nan 8.240 nan 0.000 0.511 64 G N 0.310 109.114 108.800 0.007 0.000 2.462 64 G HA2 0.569 4.530 3.960 0.003 0.000 0.319 64 G HA3 0.569 4.530 3.960 0.003 0.000 0.319 64 G C -0.822 174.127 174.900 0.082 0.000 1.171 64 G CA -0.237 44.887 45.100 0.040 0.000 0.920 64 G HN 0.281 nan 8.290 nan 0.000 0.499 65 T N -1.187 113.453 114.554 0.143 0.000 2.645 65 T HA 0.420 4.772 4.350 0.003 0.000 0.273 65 T C 0.554 175.391 174.700 0.227 0.000 0.960 65 T CA -0.433 61.800 62.100 0.221 0.000 1.051 65 T CB 0.788 69.736 68.868 0.134 0.000 1.366 65 T HN 0.685 nan 8.240 nan 0.000 0.536 66 W N 0.761 122.149 121.300 0.147 0.000 2.905 66 W HA 0.317 4.979 4.660 0.003 0.000 0.251 66 W C 0.258 176.744 176.519 -0.055 0.000 1.305 66 W CA 0.373 57.745 57.345 0.045 0.000 1.465 66 W CB -0.938 28.580 29.460 0.097 0.000 1.122 66 W HN 0.534 nan 8.180 nan 0.000 0.659 67 T N 0.955 115.033 114.554 -0.793 0.000 2.896 67 T HA 0.337 4.689 4.350 0.003 0.000 0.297 67 T C -0.468 174.003 174.700 -0.380 0.000 1.108 67 T CA -0.307 61.361 62.100 -0.720 0.000 1.004 67 T CB 1.818 69.865 68.868 -1.368 0.000 1.159 67 T HN -0.211 nan 8.240 nan 0.000 0.499 68 T N 2.572 117.020 114.554 -0.178 0.000 2.870 68 T HA 0.455 4.807 4.350 0.003 0.000 0.300 68 T C 0.159 174.942 174.700 0.138 0.000 0.989 68 T CA -0.361 61.747 62.100 0.012 0.000 1.139 68 T CB 0.167 69.085 68.868 0.085 0.000 0.920 68 T HN 0.675 nan 8.240 nan 0.000 0.537 69 V N 2.991 122.938 119.914 0.054 0.000 2.555 69 V HA 0.469 4.591 4.120 0.003 0.000 0.302 69 V C 1.130 177.050 176.094 -0.289 0.000 1.038 69 V CA -1.199 61.038 62.300 -0.105 0.000 0.887 69 V CB 1.347 33.025 31.823 -0.243 0.000 0.991 69 V HN 1.050 nan 8.190 nan 0.000 0.434 70 W N 2.805 123.639 121.300 -0.776 0.000 2.465 70 W HA -0.099 4.563 4.660 0.003 0.000 0.268 70 W C 1.359 177.629 176.519 -0.414 0.000 1.242 70 W CA 1.416 58.149 57.345 -1.021 0.000 1.248 70 W CB -1.608 26.924 29.460 -1.547 0.000 1.118 70 W HN 0.760 nan 8.180 nan 0.000 0.587 71 T N -1.368 112.466 114.554 -1.200 0.000 3.051 71 T HA -0.173 4.179 4.350 0.003 0.000 0.269 71 T C 1.085 175.530 174.700 -0.426 0.000 1.127 71 T CA 1.419 62.902 62.100 -1.029 0.000 1.107 71 T CB -0.532 67.679 68.868 -1.094 0.000 0.898 71 T HN -0.092 nan 8.240 nan 0.000 0.517 72 D N 2.055 122.288 120.400 -0.279 0.000 2.182 72 D HA -0.017 4.625 4.640 0.003 0.000 0.201 72 D C 2.300 178.563 176.300 -0.061 0.000 0.986 72 D CA 1.266 55.196 54.000 -0.117 0.000 0.847 72 D CB -0.843 39.931 40.800 -0.043 0.000 0.942 72 D HN 0.605 nan 8.370 nan 0.000 0.467 73 G N 0.076 108.851 108.800 -0.042 0.000 2.559 73 G HA2 -0.124 3.838 3.960 0.003 0.000 0.216 73 G HA3 -0.124 3.838 3.960 0.003 0.000 0.216 73 G C 1.561 176.479 174.900 0.030 0.000 1.126 73 G CA 0.030 45.145 45.100 0.025 0.000 0.778 73 G HN 0.277 nan 8.290 nan 0.000 0.543 74 L N -0.447 120.767 121.223 -0.015 0.000 2.418 74 L HA 0.172 4.514 4.340 0.003 0.000 0.218 74 L C 1.725 178.599 176.870 0.006 0.000 1.125 74 L CA 0.532 55.373 54.840 0.002 0.000 0.835 74 L CB 0.035 42.063 42.059 -0.051 0.000 0.953 74 L HN 0.226 nan 8.230 nan 0.000 0.454 75 T N -2.473 112.084 114.554 0.005 0.000 2.633 75 T HA 0.313 4.665 4.350 0.003 0.000 0.262 75 T C -0.643 174.109 174.700 0.087 0.000 0.920 75 T CA -0.441 61.696 62.100 0.062 0.000 1.062 75 T CB 1.914 70.810 68.868 0.047 0.000 1.390 75 T HN -0.123 nan 8.240 nan 0.000 0.549 76 S N 1.379 117.179 115.700 0.166 0.000 2.667 76 S HA 0.407 4.879 4.470 0.003 0.000 0.304 76 S C 0.635 175.296 174.600 0.102 0.000 1.135 76 S CA -0.676 57.573 58.200 0.081 0.000 1.125 76 S CB 0.428 63.629 63.200 0.002 0.000 0.996 76 S HN 0.521 nan 8.310 nan 0.000 0.474 77 L N 4.001 125.255 121.223 0.052 0.000 2.201 77 L HA 0.065 4.407 4.340 0.003 0.000 0.212 77 L C 1.812 178.656 176.870 -0.043 0.000 1.105 77 L CA 1.636 56.494 54.840 0.031 0.000 0.775 77 L CB -0.495 41.546 42.059 -0.030 0.000 0.913 77 L HN 0.606 nan 8.230 nan 0.000 0.440 78 D N -0.972 119.386 120.400 -0.069 0.000 2.178 78 D HA -0.205 4.437 4.640 0.003 0.000 0.201 78 D C 2.334 178.555 176.300 -0.133 0.000 0.980 78 D CA 0.885 54.826 54.000 -0.098 0.000 0.842 78 D CB 0.031 40.785 40.800 -0.076 0.000 0.948 78 D HN 0.280 nan 8.370 nan 0.000 0.472 79 R N -0.910 119.466 120.500 -0.207 0.000 2.093 79 R HA -0.079 4.263 4.340 0.003 0.000 0.224 79 R C 1.414 177.451 176.300 -0.439 0.000 1.101 79 R CA 0.923 56.784 56.100 -0.398 0.000 0.979 79 R CB 0.040 29.919 30.300 -0.702 0.000 0.877 79 R HN 0.184 nan 8.270 nan 0.000 0.441 80 Y N 0.829 121.113 120.300 -0.026 0.000 2.481 80 Y HA 0.157 4.708 4.550 0.003 0.000 0.258 80 Y C 0.175 176.071 175.900 -0.006 0.000 1.103 80 Y CA -0.217 57.871 58.100 -0.019 0.000 1.287 80 Y CB 0.167 38.614 38.460 -0.023 0.000 1.108 80 Y HN -0.042 nan 8.280 nan 0.000 0.529 81 K N 1.167 121.627 120.400 0.100 0.000 2.382 81 K HA 0.342 4.664 4.320 0.003 0.000 0.275 81 K C 0.571 177.203 176.600 0.053 0.000 1.009 81 K CA 0.030 56.389 56.287 0.119 0.000 0.970 81 K CB 0.684 33.187 32.500 0.005 0.000 0.934 81 K HN 0.130 nan 8.250 nan 0.000 0.479 82 G N 2.308 111.176 108.800 0.113 0.000 2.503 82 G HA2 0.286 4.248 3.960 0.003 0.000 0.257 82 G HA3 0.286 4.248 3.960 0.003 0.000 0.257 82 G C -0.740 174.131 174.900 -0.048 0.000 1.214 82 G CA -1.001 44.041 45.100 -0.097 0.000 0.839 82 G HN 0.820 nan 8.290 nan 0.000 0.559 83 R N 0.045 120.442 120.500 -0.171 0.000 2.548 83 R HA 0.422 4.764 4.340 0.003 0.000 0.280 83 R C -1.428 174.900 176.300 0.046 0.000 1.061 83 R CA -0.794 55.266 56.100 -0.067 0.000 0.915 83 R CB 0.685 30.834 30.300 -0.253 0.000 1.210 83 R HN 0.480 nan 8.270 nan 0.000 0.442 84 C N 5.337 124.704 119.300 0.111 0.000 2.442 84 C HA 0.320 4.782 4.460 0.003 0.000 0.362 84 C C 0.688 175.818 174.990 0.233 0.000 1.242 84 C CA -0.467 58.646 59.018 0.158 0.000 1.741 84 C CB -1.502 26.342 27.740 0.174 0.000 2.378 84 C HN 0.950 nan 8.230 nan 0.000 0.549 85 Y N 3.097 123.533 120.300 0.226 0.000 2.467 85 Y HA 0.483 5.036 4.550 0.004 0.000 0.250 85 Y C 0.602 176.693 175.900 0.319 0.000 1.155 85 Y CA -0.285 57.941 58.100 0.208 0.000 1.249 85 Y CB -0.462 38.171 38.460 0.288 0.000 1.146 85 Y HN 0.796 nan 8.280 nan 0.000 0.524 86 H N 0.126 119.159 119.070 -0.063 0.000 3.123 86 H HA 0.534 5.092 4.556 0.004 0.000 0.346 86 H C -2.116 173.339 175.328 0.211 0.000 1.138 86 H CA -0.838 55.260 56.048 0.084 0.000 1.273 86 H CB 1.887 31.612 29.762 -0.062 0.000 1.926 86 H HN 0.163 nan 8.280 nan 0.000 0.524 87 I N 4.211 124.615 120.570 -0.277 0.000 2.619 87 I HA 0.225 4.397 4.170 0.003 0.000 0.292 87 I C -0.937 175.042 176.117 -0.230 0.000 1.100 87 I CA -0.513 60.703 61.300 -0.141 0.000 1.043 87 I CB 2.338 40.271 38.000 -0.113 0.000 1.239 87 I HN 0.553 nan 8.210 nan 0.000 0.420 88 E N 6.223 126.438 120.200 0.025 0.000 2.331 88 E HA 0.586 4.938 4.350 0.003 0.000 0.275 88 E C -3.001 173.713 176.600 0.191 0.000 0.895 88 E CA -2.259 54.197 56.400 0.093 0.000 0.753 88 E CB 2.459 32.247 29.700 0.147 0.000 1.216 88 E HN 0.082 nan 8.360 nan 0.000 0.434 89 P HA 0.076 nan 4.420 nan 0.000 0.274 89 P C -0.502 176.743 177.300 -0.091 0.000 1.231 89 P CA -0.528 62.515 63.100 -0.095 0.000 0.790 89 P CB 0.769 32.418 31.700 -0.085 0.000 0.951 90 V N 3.616 123.416 119.914 -0.190 0.000 2.406 90 V HA 0.066 4.188 4.120 0.003 0.000 0.272 90 V C 0.541 176.581 176.094 -0.089 0.000 1.043 90 V CA -0.561 61.685 62.300 -0.090 0.000 0.915 90 V CB 1.203 32.975 31.823 -0.084 0.000 0.988 90 V HN 0.271 nan 8.190 nan 0.000 0.466 91 V N 5.532 125.421 119.914 -0.041 0.000 2.599 91 V HA 0.366 4.488 4.120 0.003 0.000 0.300 91 V C 1.480 177.555 176.094 -0.031 0.000 1.034 91 V CA 1.640 63.920 62.300 -0.033 0.000 1.115 91 V CB 0.357 32.172 31.823 -0.014 0.000 0.934 91 V HN 1.262 nan 8.190 nan 0.000 0.485 92 G N 3.678 112.458 108.800 -0.033 0.000 2.176 92 G HA2 -0.172 3.790 3.960 0.003 0.000 0.253 92 G HA3 -0.172 3.790 3.960 0.003 0.000 0.253 92 G C 0.098 174.980 174.900 -0.029 0.000 0.979 92 G CA 0.093 45.179 45.100 -0.024 0.000 0.641 92 G HN 0.597 nan 8.290 nan 0.000 0.530 93 E N 0.582 120.750 120.200 -0.052 0.000 2.235 93 E HA 0.542 4.894 4.350 0.003 0.000 0.265 93 E C -1.149 175.402 176.600 -0.082 0.000 0.940 93 E CA -0.662 55.704 56.400 -0.057 0.000 0.819 93 E CB 1.351 31.012 29.700 -0.065 0.000 1.206 93 E HN 0.185 nan 8.360 nan 0.000 0.409 94 D N 1.087 121.449 120.400 -0.062 0.000 2.193 94 D HA 0.155 4.796 4.640 0.003 0.000 0.244 94 D C 0.443 176.697 176.300 -0.077 0.000 1.064 94 D CA -0.068 53.895 54.000 -0.062 0.000 0.845 94 D CB 0.599 41.384 40.800 -0.025 0.000 1.148 94 D HN 0.552 nan 8.370 nan 0.000 0.464 95 N N 1.643 120.280 118.700 -0.105 0.000 2.735 95 N HA -0.267 4.475 4.740 0.003 0.000 0.248 95 N C -0.788 174.651 175.510 -0.119 0.000 1.083 95 N CA 0.297 53.318 53.050 -0.049 0.000 0.703 95 N CB -0.277 38.236 38.487 0.044 0.000 1.005 95 N HN 0.544 nan 8.380 nan 0.000 0.550 96 Q N 0.405 119.959 119.800 -0.409 0.000 2.375 96 Q HA 0.556 4.898 4.340 0.003 0.000 0.271 96 Q C -1.691 173.898 176.000 -0.685 0.000 1.074 96 Q CA -0.651 54.966 55.803 -0.311 0.000 0.808 96 Q CB 1.282 29.932 28.738 -0.147 0.000 1.327 96 Q HN 0.280 nan 8.270 nan 0.000 0.441 97 Y N 1.205 121.493 120.300 -0.020 0.000 2.588 97 Y HA 0.466 5.019 4.550 0.004 0.000 0.343 97 Y C -0.553 175.329 175.900 -0.030 0.000 1.065 97 Y CA -1.087 56.998 58.100 -0.024 0.000 1.038 97 Y CB 1.450 39.877 38.460 -0.055 0.000 1.297 97 Y HN 0.450 nan 8.280 nan 0.000 0.467 98 I N 2.398 123.046 120.570 0.130 0.000 2.312 98 I HA 0.534 4.706 4.170 0.003 0.000 0.290 98 I C -0.061 176.035 176.117 -0.036 0.000 1.008 98 I CA -0.818 60.481 61.300 -0.002 0.000 1.226 98 I CB 0.653 38.658 38.000 0.009 0.000 1.371 98 I HN 0.711 nan 8.210 nan 0.000 0.468 99 A N 7.306 130.068 122.820 -0.096 0.000 2.288 99 A HA 0.673 4.995 4.320 0.003 0.000 0.320 99 A C -1.295 176.212 177.584 -0.128 0.000 1.217 99 A CA -0.392 51.617 52.037 -0.047 0.000 0.840 99 A CB 0.429 19.398 19.000 -0.052 0.000 1.179 99 A HN 0.529 nan 8.150 nan 0.000 0.504 100 Y N 1.448 121.730 120.300 -0.031 0.000 2.330 100 Y HA 0.503 5.054 4.550 0.003 0.000 0.336 100 Y C 0.146 175.919 175.900 -0.211 0.000 1.036 100 Y CA -0.338 57.685 58.100 -0.128 0.000 1.125 100 Y CB 1.900 40.081 38.460 -0.465 0.000 1.194 100 Y HN 0.398 nan 8.280 nan 0.000 0.469 101 V N 2.885 122.938 119.914 0.233 0.000 2.656 101 V HA 0.808 4.929 4.120 0.003 0.000 0.307 101 V C -0.488 175.764 176.094 0.263 0.000 1.051 101 V CA -1.066 61.340 62.300 0.177 0.000 0.893 101 V CB 1.738 33.607 31.823 0.077 0.000 0.999 101 V HN 0.844 nan 8.190 nan 0.000 0.426 102 A N 4.022 126.954 122.820 0.187 0.000 2.318 102 A HA 0.859 5.181 4.320 0.003 0.000 0.324 102 A C -1.494 175.992 177.584 -0.164 0.000 1.170 102 A CA -0.376 51.736 52.037 0.123 0.000 0.810 102 A CB 0.627 19.731 19.000 0.172 0.000 1.198 102 A HN 0.735 nan 8.150 nan 0.000 0.484 103 Y N 2.369 122.781 120.300 0.187 0.000 2.341 103 Y HA 0.431 4.983 4.550 0.003 0.000 0.338 103 Y C -2.335 173.694 175.900 0.215 0.000 0.965 103 Y CA -2.343 55.885 58.100 0.214 0.000 1.108 103 Y CB 1.717 40.426 38.460 0.415 0.000 1.180 103 Y HN 0.494 nan 8.280 nan 0.000 0.458 104 P HA -0.045 nan 4.420 nan 0.000 0.268 104 P C 0.761 178.217 177.300 0.261 0.000 1.205 104 P CA -0.134 63.082 63.100 0.193 0.000 0.771 104 P CB 0.910 32.671 31.700 0.102 0.000 0.858 105 L N 3.098 124.448 121.223 0.210 0.000 2.081 105 L HA -0.212 4.130 4.340 0.003 0.000 0.212 105 L C 1.281 178.284 176.870 0.221 0.000 1.080 105 L CA 2.101 57.077 54.840 0.226 0.000 0.754 105 L CB -1.004 41.142 42.059 0.145 0.000 0.893 105 L HN 0.271 nan 8.230 nan 0.000 0.433 106 D N -0.691 119.805 120.400 0.161 0.000 2.350 106 D HA -0.110 4.532 4.640 0.003 0.000 0.216 106 D C 2.139 178.472 176.300 0.056 0.000 0.968 106 D CA 0.808 54.900 54.000 0.154 0.000 0.894 106 D CB -0.084 40.868 40.800 0.254 0.000 0.909 106 D HN 0.410 nan 8.370 nan 0.000 0.520 107 L N -0.725 120.436 121.223 -0.103 0.000 2.465 107 L HA 0.017 4.359 4.340 0.003 0.000 0.224 107 L C 0.133 176.604 176.870 -0.664 0.000 1.145 107 L CA 0.374 54.944 54.840 -0.450 0.000 0.834 107 L CB -0.099 41.494 42.059 -0.777 0.000 0.944 107 L HN -0.103 nan 8.230 nan 0.000 0.451 108 F N -0.504 119.410 119.950 -0.059 0.000 2.480 108 F HA 0.308 4.836 4.527 0.003 0.000 0.329 108 F C 0.613 176.455 175.800 0.071 0.000 1.091 108 F CA -1.140 56.814 58.000 -0.078 0.000 0.972 108 F CB 1.118 39.861 39.000 -0.428 0.000 1.150 108 F HN -0.200 nan 8.300 nan 0.000 0.467 109 E N 1.815 122.194 120.200 0.299 0.000 2.290 109 E HA 0.140 4.492 4.350 0.003 0.000 0.277 109 E C -0.779 176.010 176.600 0.315 0.000 1.035 109 E CA -0.543 55.992 56.400 0.226 0.000 0.873 109 E CB 0.561 30.340 29.700 0.131 0.000 1.029 109 E HN 0.503 nan 8.360 nan 0.000 0.419 110 E N 2.406 122.720 120.200 0.189 0.000 2.452 110 E HA 0.164 4.516 4.350 0.003 0.000 0.261 110 E C 0.947 177.325 176.600 -0.369 0.000 0.987 110 E CA 1.307 57.701 56.400 -0.009 0.000 0.926 110 E CB 0.536 30.218 29.700 -0.030 0.000 0.934 110 E HN 0.810 nan 8.360 nan 0.000 0.452 111 G N 2.375 110.489 108.800 -1.145 0.000 2.168 111 G HA2 -0.333 3.629 3.960 0.003 0.000 0.263 111 G HA3 -0.333 3.629 3.960 0.003 0.000 0.263 111 G C 0.379 174.775 174.900 -0.840 0.000 0.977 111 G CA 0.502 44.669 45.100 -1.555 0.000 0.659 111 G HN 0.551 nan 8.290 nan 0.000 0.533 112 S N -0.318 115.199 115.700 -0.304 0.000 2.577 112 S HA 0.535 5.006 4.470 0.003 0.000 0.294 112 S C 1.512 176.252 174.600 0.234 0.000 1.161 112 S CA 0.139 58.383 58.200 0.073 0.000 1.143 112 S CB 1.148 64.391 63.200 0.072 0.000 0.991 112 S HN 0.547 nan 8.310 nan 0.000 0.475 113 V N 4.659 124.665 119.914 0.153 0.000 2.407 113 V HA -0.135 3.987 4.120 0.003 0.000 0.248 113 V C 2.582 178.432 176.094 -0.408 0.000 1.055 113 V CA 2.459 64.570 62.300 -0.316 0.000 1.049 113 V CB -0.989 30.294 31.823 -0.900 0.000 0.662 113 V HN 0.820 nan 8.190 nan 0.000 0.455 114 T N 0.103 114.536 114.554 -0.201 0.000 2.665 114 T HA -0.269 4.083 4.350 0.003 0.000 0.268 114 T C 1.930 176.661 174.700 0.053 0.000 1.035 114 T CA 2.000 64.070 62.100 -0.050 0.000 1.151 114 T CB -0.494 68.408 68.868 0.057 0.000 0.862 114 T HN 0.581 nan 8.240 nan 0.000 0.438 115 N N 0.554 119.315 118.700 0.102 0.000 2.142 115 N HA -0.082 4.660 4.740 0.003 0.000 0.186 115 N C 2.110 177.765 175.510 0.241 0.000 1.023 115 N CA 1.173 54.318 53.050 0.159 0.000 0.852 115 N CB -0.236 38.359 38.487 0.180 0.000 0.998 115 N HN 0.407 nan 8.380 nan 0.000 0.424 116 M N -0.250 119.524 119.600 0.291 0.000 2.080 116 M HA -0.181 4.300 4.480 0.003 0.000 0.260 116 M C 1.480 177.981 176.300 0.335 0.000 1.068 116 M CA 1.574 57.075 55.300 0.335 0.000 1.109 116 M CB -0.159 32.531 32.600 0.151 0.000 1.342 116 M HN 0.027 nan 8.290 nan 0.000 0.405 117 F N 0.517 120.462 119.950 -0.010 0.000 2.186 117 F HA -0.117 4.412 4.527 0.004 0.000 0.299 117 F C 2.567 178.382 175.800 0.025 0.000 1.090 117 F CA 1.527 59.511 58.000 -0.026 0.000 1.307 117 F CB -1.566 37.394 39.000 -0.066 0.000 1.019 117 F HN 0.199 nan 8.300 nan 0.000 0.489 118 T N -0.898 113.800 114.554 0.240 0.000 2.720 118 T HA -0.178 4.174 4.350 0.003 0.000 0.268 118 T C 2.372 177.142 174.700 0.117 0.000 1.037 118 T CA 1.809 63.999 62.100 0.151 0.000 1.144 118 T CB -0.382 68.556 68.868 0.116 0.000 0.864 118 T HN 0.148 nan 8.240 nan 0.000 0.444 119 S N 0.715 116.480 115.700 0.110 0.000 2.335 119 S HA 0.115 4.587 4.470 0.003 0.000 0.217 119 S C 2.060 176.701 174.600 0.068 0.000 1.032 119 S CA 0.757 58.986 58.200 0.048 0.000 0.985 119 S CB -0.284 62.884 63.200 -0.053 0.000 0.896 119 S HN 0.401 nan 8.310 nan 0.000 0.445 120 I N 1.491 122.095 120.570 0.058 0.000 2.439 120 I HA -0.049 4.122 4.170 0.003 0.000 0.251 120 I C 1.437 177.729 176.117 0.291 0.000 1.139 120 I CA 0.925 62.279 61.300 0.091 0.000 1.438 120 I CB -0.020 37.947 38.000 -0.053 0.000 1.085 120 I HN 0.239 nan 8.210 nan 0.000 0.427 121 V N -3.088 116.932 119.914 0.177 0.000 3.078 121 V HA 0.480 4.602 4.120 0.003 0.000 0.344 121 V C 1.469 177.648 176.094 0.141 0.000 1.409 121 V CA 0.207 62.644 62.300 0.228 0.000 1.146 121 V CB -0.321 31.371 31.823 -0.218 0.000 1.126 121 V HN 0.200 nan 8.190 nan 0.000 0.513 122 G N 1.696 110.589 108.800 0.155 0.000 2.414 122 G HA2 -0.123 3.839 3.960 0.003 0.000 0.215 122 G HA3 -0.123 3.839 3.960 0.003 0.000 0.215 122 G C 1.143 176.139 174.900 0.161 0.000 1.188 122 G CA 1.258 46.435 45.100 0.128 0.000 0.783 122 G HN 0.550 nan 8.290 nan 0.000 0.537 123 N N -0.581 118.240 118.700 0.202 0.000 2.211 123 N HA 0.011 4.753 4.740 0.003 0.000 0.216 123 N C 2.151 177.866 175.510 0.341 0.000 1.240 123 N CA 0.785 53.983 53.050 0.248 0.000 0.895 123 N CB 0.650 39.289 38.487 0.254 0.000 1.102 123 N HN 0.273 nan 8.380 nan 0.000 0.498 124 V N -1.384 118.668 119.914 0.231 0.000 2.759 124 V HA -0.004 4.118 4.120 0.003 0.000 0.256 124 V C 1.599 177.733 176.094 0.066 0.000 1.080 124 V CA 1.161 63.466 62.300 0.008 0.000 1.101 124 V CB -1.143 30.457 31.823 -0.371 0.000 0.698 124 V HN -0.089 nan 8.190 nan 0.000 0.477 125 F N 2.521 122.520 119.950 0.080 0.000 2.604 125 F HA 0.300 4.829 4.527 0.003 0.000 0.298 125 F C 2.284 178.203 175.800 0.198 0.000 1.131 125 F CA 1.021 59.092 58.000 0.117 0.000 1.457 125 F CB -0.677 38.381 39.000 0.096 0.000 1.095 125 F HN 0.343 nan 8.300 nan 0.000 0.574 126 G N -1.672 107.334 108.800 0.343 0.000 3.233 126 G HA2 0.045 4.007 3.960 0.003 0.000 0.234 126 G HA3 0.045 4.007 3.960 0.003 0.000 0.234 126 G C 0.140 175.119 174.900 0.133 0.000 1.137 126 G CA -0.206 45.017 45.100 0.205 0.000 0.763 126 G HN -0.002 nan 8.290 nan 0.000 0.549 127 F N 1.398 121.346 119.950 -0.003 0.000 2.578 127 F HA 0.201 4.729 4.527 0.002 0.000 0.376 127 F C 1.750 177.535 175.800 -0.025 0.000 1.085 127 F CA 0.077 58.058 58.000 -0.032 0.000 1.260 127 F CB 1.122 40.072 39.000 -0.083 0.000 1.095 127 F HN -0.049 nan 8.300 nan 0.000 0.573 128 K N 2.605 122.978 120.400 -0.044 0.000 2.147 128 K HA -0.137 4.185 4.320 0.003 0.000 0.205 128 K C 1.897 178.521 176.600 0.040 0.000 1.049 128 K CA 1.202 57.478 56.287 -0.018 0.000 0.936 128 K CB -0.127 32.332 32.500 -0.068 0.000 0.722 128 K HN 0.701 nan 8.250 nan 0.000 0.446 129 A N 0.925 123.807 122.820 0.102 0.000 2.209 129 A HA 0.041 4.362 4.320 0.003 0.000 0.212 129 A C 0.709 178.323 177.584 0.050 0.000 1.158 129 A CA 0.567 52.655 52.037 0.085 0.000 0.742 129 A CB -0.219 18.857 19.000 0.126 0.000 0.790 129 A HN 0.094 nan 8.150 nan 0.000 0.472 130 L N -1.782 119.476 121.223 0.058 0.000 2.334 130 L HA 0.459 4.801 4.340 0.003 0.000 0.273 130 L C 1.161 178.054 176.870 0.038 0.000 1.013 130 L CA -0.733 54.121 54.840 0.023 0.000 0.816 130 L CB 1.607 43.660 42.059 -0.011 0.000 1.278 130 L HN 0.118 nan 8.230 nan 0.000 0.431 131 R N 1.156 121.678 120.500 0.037 0.000 2.156 131 R HA 0.401 4.743 4.340 0.003 0.000 0.207 131 R C 0.027 176.369 176.300 0.071 0.000 1.040 131 R CA 0.510 56.634 56.100 0.040 0.000 1.013 131 R CB 0.546 30.866 30.300 0.035 0.000 0.931 131 R HN 0.742 nan 8.270 nan 0.000 0.465 132 A N 0.474 123.359 122.820 0.109 0.000 2.605 132 A HA 0.593 4.915 4.320 0.003 0.000 0.294 132 A C -2.133 175.535 177.584 0.140 0.000 1.062 132 A CA -0.632 51.558 52.037 0.254 0.000 0.682 132 A CB 1.610 20.737 19.000 0.212 0.000 1.278 132 A HN 0.029 nan 8.150 nan 0.000 0.410 133 L N 0.573 121.869 121.223 0.123 0.000 2.526 133 L HA 0.786 5.128 4.340 0.003 0.000 0.263 133 L C -0.721 176.028 176.870 -0.203 0.000 0.943 133 L CA -0.074 54.620 54.840 -0.243 0.000 0.859 133 L CB 1.944 43.574 42.059 -0.715 0.000 1.313 133 L HN 0.867 nan 8.230 nan 0.000 0.406 134 R N 4.048 124.544 120.500 -0.007 0.000 2.575 134 R HA 0.625 4.967 4.340 0.003 0.000 0.293 134 R C -1.814 174.573 176.300 0.144 0.000 0.983 134 R CA -0.889 55.295 56.100 0.141 0.000 0.887 134 R CB 1.728 32.079 30.300 0.085 0.000 1.184 134 R HN 0.680 nan 8.270 nan 0.000 0.445 135 L N 4.440 125.778 121.223 0.193 0.000 2.278 135 L HA 0.251 4.593 4.340 0.003 0.000 0.287 135 L C 0.664 177.427 176.870 -0.178 0.000 1.072 135 L CA 0.485 55.237 54.840 -0.146 0.000 0.819 135 L CB 1.173 43.134 42.059 -0.164 0.000 1.176 135 L HN 0.731 nan 8.230 nan 0.000 0.435 136 E N 2.276 122.271 120.200 -0.342 0.000 2.140 136 E HA 0.086 4.438 4.350 0.003 0.000 0.191 136 E C -0.253 176.143 176.600 -0.340 0.000 0.973 136 E CA 0.510 56.688 56.400 -0.369 0.000 0.829 136 E CB 0.408 29.600 29.700 -0.848 0.000 0.781 136 E HN 0.695 nan 8.360 nan 0.000 0.466 137 D N -1.104 119.084 120.400 -0.354 0.000 2.648 137 D HA 0.371 5.013 4.640 0.003 0.000 0.244 137 D C -1.560 174.796 176.300 0.094 0.000 1.244 137 D CA -0.452 53.511 54.000 -0.061 0.000 0.772 137 D CB 1.331 42.134 40.800 0.005 0.000 1.379 137 D HN -0.153 nan 8.370 nan 0.000 0.428 138 L N 1.452 122.748 121.223 0.122 0.000 2.408 138 L HA 0.512 4.854 4.340 0.003 0.000 0.268 138 L C -0.207 176.580 176.870 -0.139 0.000 0.986 138 L CA -0.933 53.885 54.840 -0.038 0.000 0.820 138 L CB 2.199 44.199 42.059 -0.099 0.000 1.303 138 L HN 0.203 nan 8.230 nan 0.000 0.411 139 R N 4.165 124.347 120.500 -0.531 0.000 2.198 139 R HA 0.381 4.723 4.340 0.003 0.000 0.339 139 R C -1.004 175.083 176.300 -0.355 0.000 1.020 139 R CA -0.613 55.194 56.100 -0.488 0.000 0.864 139 R CB 0.608 30.425 30.300 -0.806 0.000 1.105 139 R HN 0.421 nan 8.270 nan 0.000 0.463 140 I N 8.110 128.479 120.570 -0.334 0.000 2.297 140 I HA 0.277 4.449 4.170 0.003 0.000 0.291 140 I C -1.897 174.073 176.117 -0.246 0.000 1.033 140 I CA -2.891 58.243 61.300 -0.276 0.000 1.253 140 I CB 1.140 38.941 38.000 -0.331 0.000 1.396 140 I HN 0.318 nan 8.210 nan 0.000 0.476 141 P HA 0.260 nan 4.420 nan 0.000 0.274 141 P C -2.348 174.945 177.300 -0.012 0.000 1.231 141 P CA -1.541 61.514 63.100 -0.075 0.000 0.790 141 P CB 0.675 32.358 31.700 -0.028 0.000 0.951 142 P HA -0.165 nan 4.420 nan 0.000 0.216 142 P C 1.618 178.974 177.300 0.094 0.000 1.150 142 P CA 2.237 65.365 63.100 0.047 0.000 0.837 142 P CB -0.599 31.131 31.700 0.051 0.000 0.786 143 T N -4.499 110.114 114.554 0.099 0.000 2.881 143 T HA -0.219 4.133 4.350 0.003 0.000 0.270 143 T C 1.731 176.563 174.700 0.220 0.000 1.068 143 T CA 1.031 63.209 62.100 0.131 0.000 1.131 143 T CB -1.067 67.868 68.868 0.112 0.000 0.871 143 T HN 0.054 nan 8.240 nan 0.000 0.479 144 Y N 2.385 122.728 120.300 0.073 0.000 2.343 144 Y HA 0.149 4.700 4.550 0.003 0.000 0.294 144 Y C 2.753 178.813 175.900 0.267 0.000 1.122 144 Y CA 0.587 58.770 58.100 0.138 0.000 1.173 144 Y CB -0.322 38.171 38.460 0.056 0.000 1.077 144 Y HN 0.346 nan 8.280 nan 0.000 0.542 145 S N -0.275 115.521 115.700 0.160 0.000 2.419 145 S HA -0.139 4.333 4.470 0.003 0.000 0.233 145 S C 1.818 176.556 174.600 0.230 0.000 1.016 145 S CA 0.878 59.164 58.200 0.144 0.000 0.974 145 S CB -0.348 62.942 63.200 0.150 0.000 0.786 145 S HN 0.235 nan 8.310 nan 0.000 0.492 146 K N 1.714 122.211 120.400 0.161 0.000 2.442 146 K HA -0.007 4.315 4.320 0.003 0.000 0.198 146 K C 1.957 178.603 176.600 0.076 0.000 1.042 146 K CA 1.405 57.763 56.287 0.119 0.000 0.958 146 K CB -0.886 31.667 32.500 0.088 0.000 0.766 146 K HN 0.814 nan 8.250 nan 0.000 0.474 147 T N -2.037 112.544 114.554 0.045 0.000 3.129 147 T HA 0.129 4.481 4.350 0.003 0.000 0.251 147 T C 0.384 174.879 174.700 -0.341 0.000 1.117 147 T CA -0.228 61.780 62.100 -0.154 0.000 1.034 147 T CB -0.272 68.433 68.868 -0.270 0.000 0.968 147 T HN -0.186 nan 8.240 nan 0.000 0.526 148 F N 1.161 121.039 119.950 -0.119 0.000 2.480 148 F HA 0.492 5.021 4.527 0.003 0.000 0.329 148 F C 1.493 177.271 175.800 -0.036 0.000 1.091 148 F CA -1.430 56.520 58.000 -0.083 0.000 0.972 148 F CB 2.005 40.933 39.000 -0.119 0.000 1.150 148 F HN -0.112 nan 8.300 nan 0.000 0.467 149 Q N 2.271 122.171 119.800 0.168 0.000 2.079 149 Q HA 0.172 4.514 4.340 0.003 0.000 0.200 149 Q C 1.100 177.142 176.000 0.071 0.000 0.974 149 Q CA 1.383 57.237 55.803 0.085 0.000 0.840 149 Q CB -0.134 28.667 28.738 0.104 0.000 0.898 149 Q HN 1.018 nan 8.270 nan 0.000 0.430 150 G N 0.183 109.040 108.800 0.096 0.000 2.593 150 G HA2 -0.246 3.716 3.960 0.003 0.000 0.237 150 G HA3 -0.246 3.716 3.960 0.003 0.000 0.237 150 G C -2.502 172.369 174.900 -0.049 0.000 1.312 150 G CA -0.409 44.684 45.100 -0.012 0.000 0.896 150 G HN 0.340 nan 8.290 nan 0.000 0.574 151 P HA 0.200 nan 4.420 nan 0.000 0.264 151 P C -1.743 175.477 177.300 -0.133 0.000 1.183 151 P CA -0.324 62.712 63.100 -0.107 0.000 0.763 151 P CB 0.432 32.069 31.700 -0.105 0.000 0.807 152 P HA -0.154 nan 4.420 nan 0.000 0.218 152 P C 0.450 177.294 177.300 -0.761 0.000 1.148 152 P CA 1.848 64.724 63.100 -0.374 0.000 0.822 152 P CB 0.128 31.654 31.700 -0.290 0.000 0.784 153 H N -3.699 115.352 119.070 -0.031 0.000 1.955 153 H HA 0.444 5.002 4.556 0.003 0.000 0.196 153 H C 0.867 176.188 175.328 -0.013 0.000 0.891 153 H CA 0.704 56.742 56.048 -0.017 0.000 1.001 153 H CB -0.012 29.741 29.762 -0.014 0.000 1.195 153 H HN 0.054 nan 8.280 nan 0.000 0.384 154 G N 0.503 109.355 108.800 0.086 0.000 2.699 154 G HA2 -0.200 3.762 3.960 0.003 0.000 0.686 154 G HA3 -0.200 3.762 3.960 0.003 0.000 0.686 154 G C 0.633 175.580 174.900 0.079 0.000 1.301 154 G CA -0.185 44.940 45.100 0.042 0.000 0.816 154 G HN 0.248 nan 8.290 nan 0.000 0.595 155 I N 0.324 120.928 120.570 0.057 0.000 2.118 155 I HA -0.314 3.858 4.170 0.003 0.000 0.241 155 I C 2.979 179.147 176.117 0.085 0.000 1.070 155 I CA 2.554 63.897 61.300 0.071 0.000 1.327 155 I CB -0.409 37.624 38.000 0.055 0.000 1.034 155 I HN 0.681 nan 8.210 nan 0.000 0.405 156 Q N 0.215 120.066 119.800 0.085 0.000 2.050 156 Q HA -0.141 4.201 4.340 0.003 0.000 0.202 156 Q C 2.329 178.396 176.000 0.111 0.000 0.980 156 Q CA 1.540 57.407 55.803 0.107 0.000 0.840 156 Q CB -0.387 28.407 28.738 0.093 0.000 0.898 156 Q HN 0.352 nan 8.270 nan 0.000 0.424 157 V N 0.807 120.783 119.914 0.103 0.000 2.407 157 V HA -0.275 3.847 4.120 0.003 0.000 0.248 157 V C 2.194 178.335 176.094 0.078 0.000 1.055 157 V CA 2.064 64.428 62.300 0.107 0.000 1.049 157 V CB -0.521 31.391 31.823 0.149 0.000 0.662 157 V HN 0.444 nan 8.190 nan 0.000 0.455 158 E N 0.287 120.537 120.200 0.084 0.000 2.051 158 E HA -0.242 4.110 4.350 0.003 0.000 0.192 158 E C 2.453 179.064 176.600 0.018 0.000 0.991 158 E CA 1.348 57.781 56.400 0.055 0.000 0.799 158 E CB -0.094 29.675 29.700 0.116 0.000 0.748 158 E HN 0.502 nan 8.360 nan 0.000 0.449 159 R N 0.342 120.845 120.500 0.005 0.000 2.096 159 R HA -0.131 4.211 4.340 0.003 0.000 0.235 159 R C 1.963 178.125 176.300 -0.230 0.000 1.127 159 R CA 1.530 57.538 56.100 -0.153 0.000 0.968 159 R CB -0.166 30.080 30.300 -0.091 0.000 0.861 159 R HN 0.288 nan 8.270 nan 0.000 0.440 160 D N 0.384 120.792 120.400 0.014 0.000 2.144 160 D HA -0.111 4.531 4.640 0.003 0.000 0.200 160 D C 1.738 178.056 176.300 0.030 0.000 0.978 160 D CA 1.023 55.085 54.000 0.104 0.000 0.833 160 D CB 0.023 40.915 40.800 0.153 0.000 0.961 160 D HN 0.061 nan 8.370 nan 0.000 0.470 161 K N 0.312 120.710 120.400 -0.003 0.000 2.155 161 K HA 0.029 4.351 4.320 0.003 0.000 0.203 161 K C 2.069 178.653 176.600 -0.026 0.000 1.052 161 K CA 0.380 56.657 56.287 -0.017 0.000 0.948 161 K CB -0.036 32.430 32.500 -0.056 0.000 0.728 161 K HN 0.266 nan 8.250 nan 0.000 0.448 162 L N 0.248 121.437 121.223 -0.058 0.000 2.567 162 L HA 0.079 4.421 4.340 0.003 0.000 0.225 162 L C -0.067 176.727 176.870 -0.128 0.000 1.119 162 L CA -0.187 54.614 54.840 -0.065 0.000 0.871 162 L CB -0.374 41.656 42.059 -0.048 0.000 1.036 162 L HN 0.167 nan 8.230 nan 0.000 0.459 163 N N 1.560 120.145 118.700 -0.192 0.000 2.740 163 N HA -0.185 4.557 4.740 0.003 0.000 0.248 163 N C -0.547 174.730 175.510 -0.389 0.000 1.062 163 N CA 0.935 53.859 53.050 -0.210 0.000 0.704 163 N CB -0.781 37.700 38.487 -0.009 0.000 0.968 163 N HN 0.357 nan 8.380 nan 0.000 0.547 164 K N 0.935 120.920 120.400 -0.693 0.000 2.413 164 K HA 0.456 4.777 4.320 0.003 0.000 0.257 164 K C -1.106 175.114 176.600 -0.633 0.000 0.946 164 K CA -0.473 55.535 56.287 -0.465 0.000 0.823 164 K CB 1.236 33.574 32.500 -0.269 0.000 1.109 164 K HN 0.077 nan 8.250 nan 0.000 0.427 165 Y N -0.565 119.742 120.300 0.011 0.000 2.562 165 Y HA 0.431 4.982 4.550 0.003 0.000 0.345 165 Y C 0.986 176.896 175.900 0.016 0.000 1.045 165 Y CA -0.718 57.393 58.100 0.018 0.000 1.028 165 Y CB 2.573 41.044 38.460 0.018 0.000 1.297 165 Y HN 0.761 nan 8.280 nan 0.000 0.463 166 G N 1.507 110.422 108.800 0.192 0.000 2.175 166 G HA2 -0.183 3.779 3.960 0.003 0.000 0.244 166 G HA3 -0.183 3.779 3.960 0.003 0.000 0.244 166 G C -0.224 174.725 174.900 0.082 0.000 0.982 166 G CA 0.164 45.335 45.100 0.118 0.000 0.641 166 G HN 0.906 nan 8.290 nan 0.000 0.527 167 R N -1.816 118.727 120.500 0.072 0.000 2.728 167 R HA 0.606 4.948 4.340 0.003 0.000 0.274 167 R C -3.522 172.807 176.300 0.047 0.000 1.032 167 R CA -1.788 54.346 56.100 0.057 0.000 0.866 167 R CB 0.344 30.671 30.300 0.044 0.000 1.263 167 R HN 0.028 nan 8.270 nan 0.000 0.475 168 P HA 0.112 nan 4.420 nan 0.000 0.269 168 P C -0.510 176.804 177.300 0.023 0.000 1.215 168 P CA -0.257 62.869 63.100 0.043 0.000 0.780 168 P CB 0.491 32.228 31.700 0.063 0.000 0.898 169 L N 1.775 123.006 121.223 0.014 0.000 2.439 169 L HA 0.384 4.726 4.340 0.003 0.000 0.261 169 L C 0.268 177.163 176.870 0.042 0.000 1.153 169 L CA -0.470 54.369 54.840 -0.002 0.000 0.808 169 L CB 0.103 42.201 42.059 0.065 0.000 1.126 169 L HN 0.176 nan 8.230 nan 0.000 0.460 170 L N 0.729 121.961 121.223 0.016 0.000 2.362 170 L HA 0.696 5.038 4.340 0.003 0.000 0.275 170 L C 0.141 177.085 176.870 0.123 0.000 0.998 170 L CA -0.264 54.632 54.840 0.093 0.000 0.820 170 L CB 1.878 43.973 42.059 0.060 0.000 1.270 170 L HN 0.723 nan 8.230 nan 0.000 0.415 171 G N 0.684 109.582 108.800 0.165 0.000 3.105 171 G HA2 0.662 4.624 3.960 0.003 0.000 0.277 171 G HA3 0.662 4.624 3.960 0.003 0.000 0.277 171 G C -1.836 173.098 174.900 0.057 0.000 1.375 171 G CA -0.553 44.619 45.100 0.120 0.000 0.962 171 G HN 0.685 nan 8.290 nan 0.000 0.541 172 C N -0.261 119.010 119.300 -0.047 0.000 3.234 172 C HA 0.591 5.053 4.460 0.003 0.000 0.439 172 C C -0.381 174.560 174.990 -0.081 0.000 0.946 172 C CA -0.488 58.518 59.018 -0.020 0.000 1.193 172 C CB 0.372 28.125 27.740 0.022 0.000 1.579 172 C HN 0.857 nan 8.230 nan 0.000 0.614 173 T N 7.108 121.636 114.554 -0.043 0.000 2.817 173 T HA 0.415 4.767 4.350 0.003 0.000 0.293 173 T C 0.586 175.276 174.700 -0.017 0.000 0.964 173 T CA -0.267 61.818 62.100 -0.024 0.000 1.085 173 T CB 0.391 69.280 68.868 0.036 0.000 0.921 173 T HN 0.578 nan 8.240 nan 0.000 0.502 174 I N 3.821 124.365 120.570 -0.044 0.000 2.692 174 I HA 0.210 4.382 4.170 0.003 0.000 0.284 174 I C 0.684 176.773 176.117 -0.046 0.000 1.159 174 I CA 0.199 61.411 61.300 -0.146 0.000 1.423 174 I CB -0.036 37.620 38.000 -0.573 0.000 1.380 174 I HN 0.460 nan 8.210 nan 0.000 0.580 175 K N 5.834 126.209 120.400 -0.042 0.000 2.482 175 K HA 0.538 4.860 4.320 0.003 0.000 0.257 175 K C -2.490 174.115 176.600 0.007 0.000 0.969 175 K CA -1.581 54.715 56.287 0.015 0.000 0.842 175 K CB 1.719 34.240 32.500 0.034 0.000 1.359 175 K HN 0.282 nan 8.250 nan 0.000 0.441 176 P HA 0.128 nan 4.420 nan 0.000 0.270 176 P C 0.241 177.565 177.300 0.040 0.000 1.223 176 P CA -0.120 62.991 63.100 0.019 0.000 0.785 176 P CB 0.880 32.573 31.700 -0.011 0.000 0.923 177 K N 0.293 120.713 120.400 0.033 0.000 2.032 177 K HA -0.054 4.267 4.320 0.003 0.000 0.209 177 K C 0.859 177.498 176.600 0.065 0.000 1.048 177 K CA 1.203 57.528 56.287 0.064 0.000 0.927 177 K CB -0.244 32.279 32.500 0.039 0.000 0.712 177 K HN 0.396 nan 8.250 nan 0.000 0.441 178 L N -2.145 119.036 121.223 -0.070 0.000 2.309 178 L HA 0.415 4.757 4.340 0.003 0.000 0.261 178 L C 0.797 177.304 176.870 -0.605 0.000 1.021 178 L CA -0.375 54.267 54.840 -0.330 0.000 0.823 178 L CB 2.148 44.026 42.059 -0.303 0.000 1.366 178 L HN 0.464 nan 8.230 nan 0.000 0.423 179 G N 0.754 108.694 108.800 -1.433 0.000 2.213 179 G HA2 -0.195 3.767 3.960 0.003 0.000 0.226 179 G HA3 -0.195 3.767 3.960 0.003 0.000 0.226 179 G C -0.148 174.587 174.900 -0.276 0.000 0.992 179 G CA -0.470 44.108 45.100 -0.870 0.000 0.632 179 G HN 0.306 nan 8.290 nan 0.000 0.511 180 L N 2.379 123.577 121.223 -0.042 0.000 2.371 180 L HA 0.553 4.895 4.340 0.003 0.000 0.272 180 L C 1.507 178.585 176.870 0.347 0.000 1.124 180 L CA -0.065 54.891 54.840 0.193 0.000 0.816 180 L CB 1.411 43.659 42.059 0.314 0.000 1.129 180 L HN 0.457 nan 8.230 nan 0.000 0.448 181 S N 1.618 117.466 115.700 0.247 0.000 2.600 181 S HA 0.279 4.751 4.470 0.003 0.000 0.265 181 S C 1.107 175.836 174.600 0.215 0.000 1.325 181 S CA -0.155 58.174 58.200 0.215 0.000 1.002 181 S CB 1.490 64.756 63.200 0.110 0.000 0.921 181 S HN 0.706 nan 8.310 nan 0.000 0.554 182 A N 1.461 124.391 122.820 0.183 0.000 1.908 182 A HA -0.136 4.186 4.320 0.003 0.000 0.218 182 A C 2.117 179.774 177.584 0.122 0.000 1.181 182 A CA 2.153 54.340 52.037 0.250 0.000 0.627 182 A CB -1.078 18.155 19.000 0.388 0.000 0.818 182 A HN 0.895 nan 8.150 nan 0.000 0.445 183 K N 0.169 120.419 120.400 -0.249 0.000 2.097 183 K HA -0.086 4.236 4.320 0.003 0.000 0.205 183 K C 1.639 178.097 176.600 -0.236 0.000 1.050 183 K CA 1.712 57.567 56.287 -0.719 0.000 0.938 183 K CB -0.266 31.785 32.500 -0.749 0.000 0.718 183 K HN 0.438 nan 8.250 nan 0.000 0.442 184 N N -0.518 118.147 118.700 -0.058 0.000 2.309 184 N HA -0.133 4.609 4.740 0.003 0.000 0.182 184 N C 1.438 176.986 175.510 0.063 0.000 1.018 184 N CA 0.845 53.901 53.050 0.009 0.000 0.876 184 N CB -0.256 38.256 38.487 0.042 0.000 0.972 184 N HN 0.224 nan 8.380 nan 0.000 0.434 185 Y N 1.356 121.666 120.300 0.017 0.000 2.145 185 Y HA -0.111 4.441 4.550 0.003 0.000 0.286 185 Y C 2.477 178.379 175.900 0.003 0.000 1.145 185 Y CA 1.801 59.927 58.100 0.043 0.000 1.148 185 Y CB -0.685 37.831 38.460 0.093 0.000 0.981 185 Y HN 0.064 nan 8.280 nan 0.000 0.507 186 G N -0.603 108.288 108.800 0.152 0.000 2.422 186 G HA2 -0.296 3.666 3.960 0.003 0.000 0.218 186 G HA3 -0.296 3.666 3.960 0.003 0.000 0.218 186 G C 1.759 176.700 174.900 0.068 0.000 1.146 186 G CA 0.873 46.030 45.100 0.094 0.000 0.769 186 G HN 0.359 nan 8.290 nan 0.000 0.547 187 R N 0.602 121.121 120.500 0.033 0.000 2.073 187 R HA 0.040 4.382 4.340 0.003 0.000 0.234 187 R C 2.778 179.119 176.300 0.068 0.000 1.134 187 R CA 1.637 57.779 56.100 0.071 0.000 0.952 187 R CB -0.478 29.834 30.300 0.019 0.000 0.850 187 R HN 0.240 nan 8.270 nan 0.000 0.433 188 A N 0.804 123.618 122.820 -0.010 0.000 1.902 188 A HA -0.208 4.114 4.320 0.003 0.000 0.217 188 A C 2.588 180.141 177.584 -0.051 0.000 1.181 188 A CA 1.472 53.476 52.037 -0.054 0.000 0.623 188 A CB -1.321 17.597 19.000 -0.137 0.000 0.818 188 A HN 0.700 nan 8.150 nan 0.000 0.443 189 C N -1.380 117.889 119.300 -0.052 0.000 2.413 189 C HA -0.198 4.264 4.460 0.003 0.000 0.277 189 C C 2.524 177.540 174.990 0.043 0.000 1.228 189 C CA 1.551 60.567 59.018 -0.004 0.000 1.731 189 C CB -1.471 26.234 27.740 -0.058 0.000 2.042 189 C HN 0.723 nan 8.230 nan 0.000 0.468 190 Y N 2.026 122.313 120.300 -0.021 0.000 2.128 190 Y HA -0.094 4.458 4.550 0.003 0.000 0.284 190 Y C 2.373 178.272 175.900 -0.002 0.000 1.154 190 Y CA 2.356 60.453 58.100 -0.004 0.000 1.149 190 Y CB -0.684 37.779 38.460 0.004 0.000 0.976 190 Y HN 0.383 nan 8.280 nan 0.000 0.505 191 E N -0.420 119.578 120.200 -0.337 0.000 2.110 191 E HA -0.194 4.158 4.350 0.003 0.000 0.193 191 E C 2.462 178.901 176.600 -0.268 0.000 0.988 191 E CA 1.373 57.523 56.400 -0.416 0.000 0.804 191 E CB -0.830 28.769 29.700 -0.167 0.000 0.745 191 E HN 0.559 nan 8.360 nan 0.000 0.458 192 C N 0.719 119.929 119.300 -0.151 0.000 2.462 192 C HA -0.055 4.407 4.460 0.003 0.000 0.278 192 C C 2.868 177.796 174.990 -0.103 0.000 1.253 192 C CA 0.305 59.264 59.018 -0.098 0.000 1.713 192 C CB -1.145 26.567 27.740 -0.046 0.000 2.049 192 C HN 0.357 nan 8.230 nan 0.000 0.477 193 L N 1.336 122.506 121.223 -0.089 0.000 2.083 193 L HA -0.161 4.181 4.340 0.003 0.000 0.209 193 L C 2.898 179.710 176.870 -0.096 0.000 1.083 193 L CA 1.759 56.562 54.840 -0.062 0.000 0.752 193 L CB -0.746 41.312 42.059 -0.002 0.000 0.899 193 L HN 0.495 nan 8.230 nan 0.000 0.433 194 R N 0.449 120.834 120.500 -0.191 0.000 2.237 194 R HA -0.050 4.292 4.340 0.003 0.000 0.219 194 R C 1.902 178.124 176.300 -0.131 0.000 1.080 194 R CA 1.213 57.206 56.100 -0.179 0.000 0.995 194 R CB -0.622 29.462 30.300 -0.360 0.000 0.875 194 R HN 0.241 nan 8.270 nan 0.000 0.462 195 G N -0.517 108.202 108.800 -0.136 0.000 2.813 195 G HA2 0.231 4.193 3.960 0.003 0.000 0.209 195 G HA3 0.231 4.193 3.960 0.003 0.000 0.209 195 G C 0.911 175.767 174.900 -0.074 0.000 1.150 195 G CA 0.322 45.362 45.100 -0.100 0.000 0.785 195 G HN 0.579 nan 8.290 nan 0.000 0.535 196 G N -0.824 107.934 108.800 -0.070 0.000 2.425 196 G HA2 -0.157 3.805 3.960 0.003 0.000 0.177 196 G HA3 -0.157 3.805 3.960 0.003 0.000 0.177 196 G C 0.292 175.153 174.900 -0.066 0.000 0.999 196 G CA -0.343 44.722 45.100 -0.059 0.000 0.723 196 G HN 0.307 nan 8.290 nan 0.000 0.491 197 L N 1.327 122.511 121.223 -0.066 0.000 2.417 197 L HA 0.338 4.680 4.340 0.003 0.000 0.268 197 L C 1.076 177.876 176.870 -0.117 0.000 1.158 197 L CA -0.572 54.230 54.840 -0.063 0.000 0.819 197 L CB 0.530 42.574 42.059 -0.025 0.000 1.112 197 L HN -0.006 nan 8.230 nan 0.000 0.458 198 D N 1.136 121.409 120.400 -0.212 0.000 2.162 198 D HA 0.036 4.678 4.640 0.003 0.000 0.203 198 D C -0.137 175.881 176.300 -0.470 0.000 0.967 198 D CA 1.522 55.244 54.000 -0.463 0.000 0.840 198 D CB 0.286 40.591 40.800 -0.825 0.000 0.972 198 D HN 0.147 nan 8.370 nan 0.000 0.482 199 F N -0.325 119.609 119.950 -0.026 0.000 2.613 199 F HA 0.327 4.856 4.527 0.003 0.000 0.314 199 F C 0.582 176.258 175.800 -0.206 0.000 1.075 199 F CA -1.100 56.835 58.000 -0.108 0.000 0.945 199 F CB 1.649 40.563 39.000 -0.143 0.000 1.310 199 F HN -0.349 nan 8.300 nan 0.000 0.467 203 D N 1.021 121.570 120.400 0.247 0.000 2.378 203 D HA -0.020 4.621 4.640 0.003 0.000 0.238 203 D C 1.534 177.835 176.300 0.002 0.000 1.180 203 D CA 0.055 54.124 54.000 0.114 0.000 0.895 203 D CB 1.013 41.893 40.800 0.132 0.000 1.192 203 D HN 0.406 nan 8.370 nan 0.000 0.438 204 E N 2.167 122.249 120.200 -0.197 0.000 2.160 204 E HA -0.262 4.090 4.350 0.003 0.000 0.195 204 E C 0.738 177.237 176.600 -0.168 0.000 0.991 204 E CA 1.230 57.393 56.400 -0.395 0.000 0.810 204 E CB -0.440 28.609 29.700 -1.084 0.000 0.742 204 E HN 0.505 nan 8.360 nan 0.000 0.466 205 N N 1.018 119.673 118.700 -0.075 0.000 2.336 205 N HA 0.003 4.745 4.740 0.003 0.000 0.189 205 N C 0.059 175.614 175.510 0.074 0.000 1.113 205 N CA -0.067 52.982 53.050 -0.003 0.000 0.858 205 N CB 0.093 38.587 38.487 0.012 0.000 0.970 205 N HN -0.044 nan 8.380 nan 0.000 0.471 206 V N 1.862 121.834 119.914 0.097 0.000 2.387 206 V HA 0.178 4.300 4.120 0.003 0.000 0.260 206 V C 0.242 176.393 176.094 0.095 0.000 1.054 206 V CA -0.124 62.256 62.300 0.133 0.000 0.967 206 V CB -0.353 31.549 31.823 0.132 0.000 1.036 206 V HN 0.323 nan 8.190 nan 0.000 0.481 207 N N 2.639 121.382 118.700 0.071 0.000 3.153 207 N HA 0.256 4.998 4.740 0.003 0.000 0.177 207 N C -0.252 175.297 175.510 0.065 0.000 1.389 207 N CA -0.336 52.751 53.050 0.061 0.000 1.117 207 N CB 0.682 39.179 38.487 0.016 0.000 1.201 207 N HN 0.502 nan 8.380 nan 0.000 0.503 208 S N 0.148 115.854 115.700 0.011 0.000 2.614 208 S HA 0.481 4.953 4.470 0.003 0.000 0.275 208 S C -1.819 172.705 174.600 -0.126 0.000 1.161 208 S CA -0.392 57.813 58.200 0.008 0.000 0.969 208 S CB 1.350 64.663 63.200 0.189 0.000 1.059 208 S HN 0.279 nan 8.310 nan 0.000 0.482 209 Q N 3.052 122.659 119.800 -0.321 0.000 2.565 209 Q HA 0.464 4.806 4.340 0.003 0.000 0.294 209 Q C -2.166 173.558 176.000 -0.459 0.000 1.005 209 Q CA -1.698 53.847 55.803 -0.431 0.000 0.771 209 Q CB 1.740 30.029 28.738 -0.748 0.000 1.486 209 Q HN 0.279 nan 8.270 nan 0.000 0.422 210 P HA -0.153 nan 4.420 nan 0.000 0.216 210 P C 0.549 177.765 177.300 -0.141 0.000 1.150 210 P CA 1.287 64.301 63.100 -0.143 0.000 0.837 210 P CB 0.066 31.758 31.700 -0.013 0.000 0.786 211 F N -2.432 117.531 119.950 0.023 0.000 2.661 211 F HA 0.309 4.838 4.527 0.003 0.000 0.298 211 F C 0.850 176.668 175.800 0.030 0.000 1.137 211 F CA 0.024 58.041 58.000 0.028 0.000 1.454 211 F CB -0.575 38.447 39.000 0.036 0.000 1.103 211 F HN -0.182 nan 8.300 nan 0.000 0.577 212 M N 1.264 120.573 119.600 -0.486 0.000 2.396 212 M HA 0.313 4.795 4.480 0.003 0.000 0.222 212 M C -1.540 174.592 176.300 -0.280 0.000 0.972 212 M CA -0.492 54.678 55.300 -0.217 0.000 0.887 212 M CB 0.989 33.573 32.600 -0.027 0.000 2.378 212 M HN -0.187 nan 8.290 nan 0.000 0.446 213 R N 3.696 124.095 120.500 -0.169 0.000 2.459 213 R HA 0.305 4.647 4.340 0.003 0.000 0.281 213 R C 1.029 177.233 176.300 -0.160 0.000 1.050 213 R CA -0.223 55.773 56.100 -0.174 0.000 1.055 213 R CB 0.634 30.805 30.300 -0.215 0.000 1.045 213 R HN 0.959 nan 8.270 nan 0.000 0.495 214 W N 3.928 125.122 121.300 -0.177 0.000 2.363 214 W HA -0.126 4.536 4.660 0.003 0.000 0.296 214 W C 1.115 177.470 176.519 -0.274 0.000 1.212 214 W CA 0.682 57.904 57.345 -0.205 0.000 1.260 214 W CB -0.446 28.808 29.460 -0.343 0.000 1.131 214 W HN 0.567 nan 8.180 nan 0.000 0.530 215 R N 1.010 120.602 120.500 -1.514 0.000 2.092 215 R HA -0.130 4.212 4.340 0.003 0.000 0.231 215 R C 1.807 177.828 176.300 -0.466 0.000 1.119 215 R CA 1.913 57.168 56.100 -1.409 0.000 0.970 215 R CB -0.344 28.863 30.300 -1.822 0.000 0.864 215 R HN -0.032 nan 8.270 nan 0.000 0.440 216 D N 0.004 120.190 120.400 -0.355 0.000 2.117 216 D HA -0.192 4.450 4.640 0.003 0.000 0.197 216 D C 1.857 178.203 176.300 0.076 0.000 0.987 216 D CA 1.019 54.933 54.000 -0.142 0.000 0.829 216 D CB -0.205 40.580 40.800 -0.025 0.000 0.961 216 D HN 0.242 nan 8.370 nan 0.000 0.460 217 R N -0.263 120.337 120.500 0.167 0.000 2.081 217 R HA -0.138 4.204 4.340 0.003 0.000 0.235 217 R C 2.179 178.719 176.300 0.400 0.000 1.131 217 R CA 0.954 57.237 56.100 0.304 0.000 0.960 217 R CB -0.254 30.194 30.300 0.247 0.000 0.856 217 R HN 0.037 nan 8.270 nan 0.000 0.436 218 F N 0.209 120.249 119.950 0.150 0.000 2.134 218 F HA -0.151 4.378 4.527 0.003 0.000 0.299 218 F C 2.346 178.192 175.800 0.076 0.000 1.097 218 F CA 0.774 58.884 58.000 0.184 0.000 1.264 218 F CB -0.858 38.374 39.000 0.386 0.000 1.001 218 F HN -0.155 nan 8.300 nan 0.000 0.479 219 V N -0.706 119.347 119.914 0.233 0.000 2.261 219 V HA -0.295 3.827 4.120 0.003 0.000 0.246 219 V C 2.281 178.337 176.094 -0.065 0.000 1.047 219 V CA 1.783 64.084 62.300 0.003 0.000 1.015 219 V CB -0.759 30.929 31.823 -0.225 0.000 0.642 219 V HN 0.132 nan 8.190 nan 0.000 0.446 220 F N -0.762 119.248 119.950 0.099 0.000 2.259 220 F HA -0.098 4.431 4.527 0.003 0.000 0.298 220 F C 2.491 178.301 175.800 0.016 0.000 1.088 220 F CA 1.135 59.170 58.000 0.057 0.000 1.358 220 F CB -1.144 37.896 39.000 0.066 0.000 1.040 220 F HN 0.151 nan 8.300 nan 0.000 0.505 221 C N -0.300 119.093 119.300 0.156 0.000 2.457 221 C HA -0.020 4.442 4.460 0.003 0.000 0.278 221 C C 3.107 178.052 174.990 -0.076 0.000 1.309 221 C CA 0.858 59.855 59.018 -0.034 0.000 1.735 221 C CB -1.473 26.132 27.740 -0.225 0.000 1.992 221 C HN 0.497 nan 8.230 nan 0.000 0.493 222 A N 0.443 123.218 122.820 -0.074 0.000 1.902 222 A HA -0.249 4.073 4.320 0.003 0.000 0.217 222 A C 2.131 179.631 177.584 -0.140 0.000 1.181 222 A CA 1.971 53.884 52.037 -0.207 0.000 0.623 222 A CB -0.709 18.235 19.000 -0.095 0.000 0.818 222 A HN 0.712 nan 8.150 nan 0.000 0.443 223 E N -0.116 120.108 120.200 0.039 0.000 2.085 223 E HA -0.178 4.174 4.350 0.003 0.000 0.194 223 E C 2.117 178.755 176.600 0.063 0.000 0.994 223 E CA 1.199 57.663 56.400 0.106 0.000 0.801 223 E CB -0.265 29.517 29.700 0.137 0.000 0.743 223 E HN 0.545 nan 8.360 nan 0.000 0.453 224 A N 0.894 123.743 122.820 0.047 0.000 1.898 224 A HA -0.135 4.187 4.320 0.003 0.000 0.216 224 A C 2.158 179.791 177.584 0.081 0.000 1.181 224 A CA 1.180 53.267 52.037 0.083 0.000 0.620 224 A CB -0.544 18.521 19.000 0.109 0.000 0.819 224 A HN 0.330 nan 8.150 nan 0.000 0.442 225 I N -1.695 118.838 120.570 -0.061 0.000 2.179 225 I HA -0.281 3.891 4.170 0.003 0.000 0.242 225 I C 2.291 178.382 176.117 -0.044 0.000 1.088 225 I CA 1.419 62.648 61.300 -0.118 0.000 1.357 225 I CB -0.375 37.401 38.000 -0.374 0.000 1.051 225 I HN 0.383 nan 8.210 nan 0.000 0.409 226 Y N 0.632 120.974 120.300 0.069 0.000 2.314 226 Y HA -0.146 4.406 4.550 0.003 0.000 0.293 226 Y C 2.492 178.424 175.900 0.054 0.000 1.129 226 Y CA 0.822 58.953 58.100 0.050 0.000 1.201 226 Y CB -0.683 37.794 38.460 0.029 0.000 0.999 226 Y HN 0.101 nan 8.280 nan 0.000 0.541 227 K N 0.409 120.920 120.400 0.185 0.000 2.025 227 K HA -0.155 4.167 4.320 0.003 0.000 0.207 227 K C 2.310 179.036 176.600 0.210 0.000 1.049 227 K CA 1.618 57.969 56.287 0.106 0.000 0.933 227 K CB -0.151 32.289 32.500 -0.100 0.000 0.714 227 K HN 0.361 nan 8.250 nan 0.000 0.438 228 S N 0.354 116.232 115.700 0.297 0.000 2.383 228 S HA -0.227 4.245 4.470 0.003 0.000 0.227 228 S C 2.115 176.808 174.600 0.153 0.000 1.026 228 S CA 1.224 59.586 58.200 0.269 0.000 0.981 228 S CB -0.318 63.004 63.200 0.203 0.000 0.818 228 S HN 0.476 nan 8.310 nan 0.000 0.472 229 Q N 1.364 121.252 119.800 0.146 0.000 2.079 229 Q HA 0.002 4.344 4.340 0.003 0.000 0.200 229 Q C 2.265 178.328 176.000 0.105 0.000 0.974 229 Q CA 1.319 57.193 55.803 0.119 0.000 0.840 229 Q CB -0.574 28.260 28.738 0.161 0.000 0.898 229 Q HN 0.709 nan 8.270 nan 0.000 0.430 230 A N 0.796 123.688 122.820 0.120 0.000 1.930 230 A HA -0.228 4.094 4.320 0.003 0.000 0.217 230 A C 1.902 179.533 177.584 0.078 0.000 1.175 230 A CA 1.604 53.692 52.037 0.086 0.000 0.627 230 A CB -0.633 18.413 19.000 0.077 0.000 0.815 230 A HN 0.624 nan 8.150 nan 0.000 0.443 231 E N -0.393 119.869 120.200 0.103 0.000 2.107 231 E HA -0.153 4.199 4.350 0.003 0.000 0.191 231 E C 1.980 178.619 176.600 0.066 0.000 0.982 231 E CA 1.713 58.170 56.400 0.095 0.000 0.809 231 E CB -0.055 29.735 29.700 0.149 0.000 0.756 231 E HN 0.730 nan 8.360 nan 0.000 0.459 232 T N -3.953 110.637 114.554 0.059 0.000 3.044 232 T HA 0.244 4.596 4.350 0.003 0.000 0.255 232 T C 1.572 176.288 174.700 0.027 0.000 1.073 232 T CA 0.690 62.810 62.100 0.033 0.000 1.125 232 T CB 0.490 69.369 68.868 0.018 0.000 0.908 232 T HN 0.314 nan 8.240 nan 0.000 0.480 233 G N 1.141 109.962 108.800 0.035 0.000 2.179 233 G HA2 -0.208 3.754 3.960 0.003 0.000 0.260 233 G HA3 -0.208 3.754 3.960 0.003 0.000 0.260 233 G C -0.235 174.677 174.900 0.021 0.000 0.977 233 G CA 0.170 45.287 45.100 0.029 0.000 0.641 233 G HN 0.665 nan 8.290 nan 0.000 0.533 234 E N -0.420 119.789 120.200 0.015 0.000 2.202 234 E HA 0.580 4.932 4.350 0.003 0.000 0.272 234 E C 0.417 177.018 176.600 0.002 0.000 0.951 234 E CA -1.045 55.352 56.400 -0.004 0.000 0.813 234 E CB 1.652 31.335 29.700 -0.028 0.000 1.151 234 E HN 0.297 nan 8.360 nan 0.000 0.398 235 I N 3.077 123.641 120.570 -0.009 0.000 2.618 235 I HA -0.019 4.153 4.170 0.003 0.000 0.284 235 I C 0.391 176.496 176.117 -0.020 0.000 1.146 235 I CA 0.524 61.829 61.300 0.009 0.000 1.425 235 I CB 0.101 38.104 38.000 0.005 0.000 1.383 235 I HN 0.164 nan 8.210 nan 0.000 0.562 236 K N 4.312 124.729 120.400 0.030 0.000 2.350 236 K HA 0.800 5.122 4.320 0.003 0.000 0.241 236 K C -0.286 176.379 176.600 0.109 0.000 0.994 236 K CA -0.739 55.562 56.287 0.023 0.000 0.839 236 K CB 2.185 34.708 32.500 0.039 0.000 1.244 236 K HN 0.771 nan 8.250 nan 0.000 0.443 237 G N -0.155 108.776 108.800 0.218 0.000 2.692 237 G HA2 0.465 4.427 3.960 0.003 0.000 0.291 237 G HA3 0.465 4.427 3.960 0.003 0.000 0.291 237 G C -2.002 173.075 174.900 0.296 0.000 1.423 237 G CA -0.400 44.886 45.100 0.310 0.000 0.843 237 G HN 0.615 nan 8.290 nan 0.000 0.486 238 H N -0.174 118.946 119.070 0.083 0.000 2.840 238 H HA 0.549 5.107 4.556 0.003 0.000 0.340 238 H C -1.240 174.093 175.328 0.009 0.000 1.004 238 H CA -0.794 55.244 56.048 -0.016 0.000 1.288 238 H CB 0.801 30.548 29.762 -0.024 0.000 1.607 238 H HN 0.373 nan 8.280 nan 0.000 0.522 239 Y N 5.388 125.383 120.300 -0.509 0.000 2.587 239 Y HA 0.143 4.695 4.550 0.003 0.000 0.344 239 Y C 0.133 175.864 175.900 -0.281 0.000 1.061 239 Y CA -0.656 57.225 58.100 -0.366 0.000 1.370 239 Y CB -0.394 37.837 38.460 -0.382 0.000 1.163 239 Y HN 0.469 nan 8.280 nan 0.000 0.527 240 L N 4.430 125.621 121.223 -0.054 0.000 2.290 240 L HA 0.242 4.584 4.340 0.003 0.000 0.284 240 L C 0.545 177.398 176.870 -0.028 0.000 1.078 240 L CA -0.461 54.258 54.840 -0.202 0.000 0.815 240 L CB 0.523 42.064 42.059 -0.864 0.000 1.162 240 L HN 0.549 nan 8.230 nan 0.000 0.435 241 N N 2.094 120.883 118.700 0.148 0.000 2.442 241 N HA 0.163 4.905 4.740 0.003 0.000 0.265 241 N C 0.391 176.061 175.510 0.266 0.000 1.138 241 N CA 0.077 53.248 53.050 0.202 0.000 0.956 241 N CB 1.845 40.441 38.487 0.181 0.000 1.067 241 N HN 0.720 nan 8.380 nan 0.000 0.474 242 A N 2.658 125.587 122.820 0.182 0.000 2.238 242 A HA 0.090 4.412 4.320 0.003 0.000 0.210 242 A C 0.744 178.365 177.584 0.062 0.000 1.179 242 A CA 0.040 52.129 52.037 0.088 0.000 0.827 242 A CB -0.229 18.779 19.000 0.013 0.000 0.856 242 A HN 0.575 nan 8.150 nan 0.000 0.488 243 T N 1.761 116.415 114.554 0.167 0.000 2.905 243 T HA 0.435 4.787 4.350 0.003 0.000 0.299 243 T C 0.219 174.929 174.700 0.016 0.000 1.024 243 T CA 0.981 63.175 62.100 0.158 0.000 1.151 243 T CB 0.610 69.501 68.868 0.038 0.000 0.987 243 T HN 0.764 nan 8.240 nan 0.000 0.535 244 A N 2.315 125.136 122.820 0.002 0.000 2.588 244 A HA 0.788 5.110 4.320 0.003 0.000 0.290 244 A C 1.245 178.803 177.584 -0.044 0.000 1.136 244 A CA -0.279 51.718 52.037 -0.066 0.000 0.681 244 A CB 0.578 19.485 19.000 -0.153 0.000 1.282 244 A HN 0.762 nan 8.150 nan 0.000 0.421 245 G N -0.773 107.993 108.800 -0.056 0.000 2.511 245 G HA2 0.354 4.316 3.960 0.003 0.000 0.217 245 G HA3 0.354 4.316 3.960 0.003 0.000 0.217 245 G C 0.667 175.545 174.900 -0.038 0.000 1.133 245 G CA 1.772 46.848 45.100 -0.039 0.000 0.792 245 G HN 1.617 nan 8.290 nan 0.000 0.539 246 T N -4.374 110.147 114.554 -0.054 0.000 2.883 246 T HA 0.304 4.656 4.350 0.003 0.000 0.296 246 T C 0.805 175.464 174.700 -0.069 0.000 1.117 246 T CA -0.332 61.738 62.100 -0.051 0.000 1.006 246 T CB 1.428 70.266 68.868 -0.051 0.000 1.191 246 T HN -0.104 nan 8.240 nan 0.000 0.508 247 C N 0.545 119.809 119.300 -0.061 0.000 2.440 247 C HA 0.014 4.476 4.460 0.003 0.000 0.278 247 C C 2.607 177.534 174.990 -0.105 0.000 1.295 247 C CA 0.810 59.780 59.018 -0.080 0.000 1.738 247 C CB -1.302 26.402 27.740 -0.059 0.000 1.987 247 C HN 1.014 nan 8.230 nan 0.000 0.492 248 E N 0.819 120.966 120.200 -0.089 0.000 2.106 248 E HA -0.136 4.216 4.350 0.003 0.000 0.192 248 E C 2.210 178.728 176.600 -0.138 0.000 0.984 248 E CA 0.877 57.219 56.400 -0.097 0.000 0.806 248 E CB -0.256 29.404 29.700 -0.066 0.000 0.750 248 E HN 0.523 nan 8.360 nan 0.000 0.458 249 E N 0.105 120.215 120.200 -0.149 0.000 2.107 249 E HA -0.132 4.220 4.350 0.003 0.000 0.191 249 E C 1.983 178.394 176.600 -0.315 0.000 0.982 249 E CA 0.651 56.917 56.400 -0.225 0.000 0.809 249 E CB -0.196 29.382 29.700 -0.203 0.000 0.756 249 E HN 0.340 nan 8.360 nan 0.000 0.459 250 M N 0.310 119.765 119.600 -0.241 0.000 2.086 250 M HA -0.166 4.316 4.480 0.003 0.000 0.261 250 M C 1.836 177.957 176.300 -0.298 0.000 1.067 250 M CA 1.389 56.538 55.300 -0.251 0.000 1.116 250 M CB 0.034 32.518 32.600 -0.193 0.000 1.348 250 M HN -0.010 nan 8.290 nan 0.000 0.407 251 I N 0.711 121.110 120.570 -0.286 0.000 2.315 251 I HA -0.265 3.907 4.170 0.003 0.000 0.248 251 I C 2.367 178.283 176.117 -0.335 0.000 1.117 251 I CA 1.376 62.457 61.300 -0.365 0.000 1.404 251 I CB -1.393 36.431 38.000 -0.293 0.000 1.071 251 I HN 0.471 nan 8.210 nan 0.000 0.419 252 K N 1.254 121.495 120.400 -0.265 0.000 2.063 252 K HA -0.194 4.128 4.320 0.003 0.000 0.208 252 K C 2.260 178.704 176.600 -0.261 0.000 1.048 252 K CA 1.453 57.619 56.287 -0.201 0.000 0.928 252 K CB 0.054 32.444 32.500 -0.182 0.000 0.713 252 K HN 0.251 nan 8.250 nan 0.000 0.442 253 R N -0.172 120.004 120.500 -0.540 0.000 2.073 253 R HA -0.039 4.303 4.340 0.003 0.000 0.229 253 R C 2.450 178.774 176.300 0.041 0.000 1.120 253 R CA 1.123 56.847 56.100 -0.626 0.000 0.967 253 R CB -0.352 29.436 30.300 -0.854 0.000 0.862 253 R HN 0.210 nan 8.270 nan 0.000 0.436 254 A N 0.846 123.619 122.820 -0.078 0.000 1.940 254 A HA -0.120 4.202 4.320 0.003 0.000 0.219 254 A C 2.342 179.979 177.584 0.089 0.000 1.176 254 A CA 1.375 53.406 52.037 -0.010 0.000 0.631 254 A CB -0.540 18.283 19.000 -0.295 0.000 0.814 254 A HN 0.121 nan 8.150 nan 0.000 0.446 255 V N -1.419 118.484 119.914 -0.019 0.000 2.407 255 V HA -0.205 3.917 4.120 0.003 0.000 0.248 255 V C 2.232 178.526 176.094 0.335 0.000 1.055 255 V CA 2.006 64.410 62.300 0.174 0.000 1.049 255 V CB -0.810 31.070 31.823 0.096 0.000 0.662 255 V HN 0.634 nan 8.190 nan 0.000 0.455 256 F N 1.388 121.476 119.950 0.230 0.000 2.206 256 F HA 0.023 4.552 4.527 0.003 0.000 0.298 256 F C 2.255 178.276 175.800 0.368 0.000 1.090 256 F CA 0.870 59.062 58.000 0.319 0.000 1.323 256 F CB -0.671 38.595 39.000 0.442 0.000 1.028 256 F HN 0.084 nan 8.300 nan 0.000 0.492 257 A N 0.745 123.786 122.820 0.369 0.000 1.908 257 A HA -0.210 4.112 4.320 0.003 0.000 0.218 257 A C 2.437 180.069 177.584 0.080 0.000 1.181 257 A CA 1.568 53.689 52.037 0.139 0.000 0.627 257 A CB -0.766 18.322 19.000 0.147 0.000 0.818 257 A HN 0.295 nan 8.150 nan 0.000 0.445 258 R N 0.140 120.745 120.500 0.175 0.000 2.081 258 R HA -0.157 4.185 4.340 0.003 0.000 0.235 258 R C 2.061 178.424 176.300 0.105 0.000 1.131 258 R CA 2.005 58.200 56.100 0.159 0.000 0.960 258 R CB -0.642 29.813 30.300 0.257 0.000 0.856 258 R HN 0.787 nan 8.270 nan 0.000 0.436 259 E N 0.162 120.429 120.200 0.112 0.000 2.110 259 E HA -0.154 4.198 4.350 0.003 0.000 0.193 259 E C 2.050 178.649 176.600 -0.002 0.000 0.988 259 E CA 0.976 57.428 56.400 0.087 0.000 0.804 259 E CB -0.065 29.752 29.700 0.195 0.000 0.745 259 E HN 0.323 nan 8.360 nan 0.000 0.458 260 L N -0.545 120.599 121.223 -0.132 0.000 2.362 260 L HA 0.005 4.347 4.340 0.003 0.000 0.219 260 L C 1.623 178.544 176.870 0.085 0.000 1.134 260 L CA 0.688 55.469 54.840 -0.098 0.000 0.807 260 L CB -0.137 41.767 42.059 -0.258 0.000 0.927 260 L HN 0.470 nan 8.230 nan 0.000 0.447 261 G N 0.195 109.039 108.800 0.074 0.000 2.143 261 G HA2 -0.257 3.705 3.960 0.003 0.000 0.249 261 G HA3 -0.257 3.705 3.960 0.003 0.000 0.249 261 G C 0.394 175.397 174.900 0.170 0.000 0.981 261 G CA 0.215 45.386 45.100 0.119 0.000 0.665 261 G HN 0.266 nan 8.290 nan 0.000 0.528 262 V N -2.045 117.934 119.914 0.107 0.000 3.185 262 V HA 0.685 4.807 4.120 0.003 0.000 0.305 262 V C 0.011 176.135 176.094 0.051 0.000 1.090 262 V CA -0.649 61.684 62.300 0.054 0.000 1.107 262 V CB 1.134 32.923 31.823 -0.057 0.000 1.061 262 V HN 0.079 nan 8.190 nan 0.000 0.480 263 P HA 0.303 nan 4.420 nan 0.000 0.239 263 P C 0.076 177.373 177.300 -0.005 0.000 1.188 263 P CA 0.653 63.775 63.100 0.037 0.000 0.794 263 P CB 0.629 32.379 31.700 0.083 0.000 0.937 264 I N 0.089 120.656 120.570 -0.006 0.000 2.775 264 I HA 0.314 4.486 4.170 0.003 0.000 0.295 264 I C -1.211 174.868 176.117 -0.062 0.000 1.287 264 I CA -1.258 59.997 61.300 -0.075 0.000 1.029 264 I CB 2.524 40.437 38.000 -0.145 0.000 1.282 264 I HN -0.295 nan 8.210 nan 0.000 0.426 265 V N 4.372 124.236 119.914 -0.084 0.000 3.155 265 V HA 0.733 4.855 4.120 0.003 0.000 0.313 265 V C -0.464 175.598 176.094 -0.053 0.000 1.162 265 V CA -0.812 61.463 62.300 -0.041 0.000 1.048 265 V CB 1.848 33.678 31.823 0.011 0.000 1.092 265 V HN 0.893 nan 8.190 nan 0.000 0.447 266 M N 0.541 120.166 119.600 0.042 0.000 2.658 266 M HA 0.712 5.194 4.480 0.003 0.000 0.295 266 M C -1.040 175.367 176.300 0.178 0.000 1.248 266 M CA -0.565 54.798 55.300 0.104 0.000 0.843 266 M CB 2.430 35.173 32.600 0.239 0.000 1.749 266 M HN 1.017 nan 8.290 nan 0.000 0.464 267 H N -0.003 119.088 119.070 0.035 0.000 2.974 267 H HA 0.312 4.870 4.556 0.003 0.000 0.366 267 H C -1.832 173.530 175.328 0.057 0.000 1.155 267 H CA -0.611 55.450 56.048 0.022 0.000 1.186 267 H CB 2.170 31.924 29.762 -0.013 0.000 1.799 267 H HN 0.839 nan 8.280 nan 0.000 0.541 268 D N 4.941 125.060 120.400 -0.468 0.000 2.441 268 D HA 0.002 4.644 4.640 0.003 0.000 0.221 268 D C 0.957 176.935 176.300 -0.535 0.000 1.156 268 D CA -0.180 53.636 54.000 -0.307 0.000 0.896 268 D CB 0.123 40.783 40.800 -0.233 0.000 1.028 268 D HN 0.518 nan 8.370 nan 0.000 0.509 269 Y N 1.237 121.255 120.300 -0.470 0.000 2.352 269 Y HA -0.056 4.496 4.550 0.003 0.000 0.292 269 Y C 1.252 176.853 175.900 -0.498 0.000 1.136 269 Y CA 0.923 58.752 58.100 -0.453 0.000 1.227 269 Y CB -0.478 37.786 38.460 -0.326 0.000 0.991 269 Y HN 0.246 nan 8.280 nan 0.000 0.545 270 L N 0.323 121.075 121.223 -0.785 0.000 2.202 270 L HA -0.030 4.312 4.340 0.003 0.000 0.205 270 L C 2.590 179.239 176.870 -0.367 0.000 1.083 270 L CA 1.371 55.778 54.840 -0.722 0.000 0.790 270 L CB -0.744 40.934 42.059 -0.636 0.000 0.942 270 L HN 0.399 nan 8.230 nan 0.000 0.452 271 T N -3.307 111.078 114.554 -0.282 0.000 2.896 271 T HA -0.014 4.338 4.350 0.003 0.000 0.263 271 T C 1.920 176.525 174.700 -0.158 0.000 1.050 271 T CA 0.850 62.842 62.100 -0.180 0.000 1.140 271 T CB -0.574 68.210 68.868 -0.139 0.000 0.877 271 T HN 0.308 nan 8.240 nan 0.000 0.457 272 G N 1.437 110.108 108.800 -0.216 0.000 2.394 272 G HA2 0.414 4.376 3.960 0.003 0.000 0.215 272 G HA3 0.414 4.376 3.960 0.003 0.000 0.215 272 G C 0.876 175.756 174.900 -0.034 0.000 1.165 272 G CA 0.255 45.305 45.100 -0.084 0.000 0.784 272 G HN 1.251 nan 8.290 nan 0.000 0.535 273 G N -2.022 106.704 108.800 -0.124 0.000 2.587 273 G HA2 -0.024 3.938 3.960 0.003 0.000 0.686 273 G HA3 -0.024 3.938 3.960 0.003 0.000 0.686 273 G C 0.119 174.977 174.900 -0.069 0.000 1.236 273 G CA -0.181 44.849 45.100 -0.117 0.000 0.820 273 G HN 0.084 nan 8.290 nan 0.000 0.645 274 F N 0.543 120.507 119.950 0.023 0.000 2.234 274 F HA 0.010 4.539 4.527 0.003 0.000 0.299 274 F C 3.080 178.887 175.800 0.011 0.000 1.087 274 F CA 2.250 60.264 58.000 0.023 0.000 1.340 274 F CB -0.374 38.591 39.000 -0.058 0.000 1.031 274 F HN 0.549 nan 8.300 nan 0.000 0.500 275 T N -0.304 114.358 114.554 0.179 0.000 2.737 275 T HA -0.163 4.189 4.350 0.003 0.000 0.265 275 T C 2.325 177.045 174.700 0.034 0.000 1.038 275 T CA 1.352 63.504 62.100 0.087 0.000 1.144 275 T CB -0.632 68.274 68.868 0.064 0.000 0.866 275 T HN 0.276 nan 8.240 nan 0.000 0.434 276 A N 1.722 124.564 122.820 0.037 0.000 1.898 276 A HA -0.128 4.194 4.320 0.003 0.000 0.216 276 A C 2.147 179.683 177.584 -0.080 0.000 1.181 276 A CA 1.986 54.010 52.037 -0.021 0.000 0.620 276 A CB -0.899 18.113 19.000 0.021 0.000 0.819 276 A HN 0.521 nan 8.150 nan 0.000 0.442 277 N N -0.585 118.146 118.700 0.052 0.000 2.120 277 N HA -0.126 4.616 4.740 0.003 0.000 0.188 277 N C 1.649 177.128 175.510 -0.052 0.000 1.024 277 N CA 2.246 55.318 53.050 0.037 0.000 0.852 277 N CB -0.293 38.316 38.487 0.202 0.000 1.003 277 N HN 0.400 nan 8.380 nan 0.000 0.424 278 T N -1.073 113.457 114.554 -0.040 0.000 2.777 278 T HA -0.053 4.299 4.350 0.003 0.000 0.266 278 T C 1.997 176.445 174.700 -0.420 0.000 1.040 278 T CA 1.292 63.275 62.100 -0.195 0.000 1.141 278 T CB -0.418 68.369 68.868 -0.136 0.000 0.868 278 T HN 0.161 nan 8.240 nan 0.000 0.444 279 S N 1.366 116.913 115.700 -0.254 0.000 2.359 279 S HA -0.066 4.406 4.470 0.003 0.000 0.224 279 S C 1.945 176.483 174.600 -0.103 0.000 1.035 279 S CA 0.862 58.956 58.200 -0.176 0.000 1.018 279 S CB -0.511 62.635 63.200 -0.091 0.000 0.876 279 S HN 0.275 nan 8.310 nan 0.000 0.448 280 L N 1.784 122.919 121.223 -0.147 0.000 2.083 280 L HA 0.024 4.366 4.340 0.003 0.000 0.209 280 L C 2.312 179.178 176.870 -0.007 0.000 1.083 280 L CA 1.816 56.593 54.840 -0.104 0.000 0.752 280 L CB -0.983 40.896 42.059 -0.300 0.000 0.899 280 L HN 0.245 nan 8.230 nan 0.000 0.433 281 A N -1.435 121.348 122.820 -0.062 0.000 1.933 281 A HA -0.248 4.074 4.320 0.003 0.000 0.218 281 A C 2.142 179.785 177.584 0.099 0.000 1.175 281 A CA 1.858 53.890 52.037 -0.008 0.000 0.628 281 A CB -1.056 17.923 19.000 -0.035 0.000 0.814 281 A HN 0.725 nan 8.150 nan 0.000 0.444 282 H N -3.409 115.664 119.070 0.005 0.000 2.357 282 H HA -0.158 4.400 4.556 0.003 0.000 0.301 282 H C 2.052 177.382 175.328 0.004 0.000 1.082 282 H CA 1.539 57.583 56.048 -0.007 0.000 1.342 282 H CB -0.162 29.603 29.762 0.005 0.000 1.389 282 H HN 0.671 nan 8.280 nan 0.000 0.511 283 Y N 0.966 121.318 120.300 0.087 0.000 2.181 283 Y HA -0.287 4.265 4.550 0.003 0.000 0.288 283 Y C 2.468 178.389 175.900 0.035 0.000 1.146 283 Y CA 1.272 59.397 58.100 0.040 0.000 1.164 283 Y CB -0.588 37.877 38.460 0.008 0.000 0.982 283 Y HN 0.207 nan 8.280 nan 0.000 0.515 284 C N 0.181 119.547 119.300 0.110 0.000 2.440 284 C HA -0.116 4.346 4.460 0.003 0.000 0.278 284 C C 2.748 177.738 174.990 0.001 0.000 1.295 284 C CA 1.357 60.416 59.018 0.069 0.000 1.738 284 C CB -1.184 26.621 27.740 0.108 0.000 1.987 284 C HN 0.597 nan 8.230 nan 0.000 0.492 285 R N 1.891 122.353 120.500 -0.064 0.000 2.081 285 R HA -0.103 4.239 4.340 0.003 0.000 0.235 285 R C 1.374 177.610 176.300 -0.108 0.000 1.131 285 R CA 2.065 58.072 56.100 -0.155 0.000 0.960 285 R CB -0.912 29.303 30.300 -0.142 0.000 0.856 285 R HN 0.386 nan 8.270 nan 0.000 0.436 286 D N -0.326 119.988 120.400 -0.143 0.000 2.371 286 D HA -0.020 4.622 4.640 0.003 0.000 0.221 286 D C 0.255 176.433 176.300 -0.204 0.000 0.986 286 D CA 0.723 54.623 54.000 -0.166 0.000 0.899 286 D CB 0.043 40.735 40.800 -0.180 0.000 0.902 286 D HN 0.340 nan 8.370 nan 0.000 0.530 287 N N -0.830 117.723 118.700 -0.245 0.000 2.194 287 N HA 0.125 4.867 4.740 0.003 0.000 0.231 287 N C 0.809 176.286 175.510 -0.055 0.000 1.247 287 N CA 0.306 53.227 53.050 -0.215 0.000 0.884 287 N CB 1.817 40.027 38.487 -0.461 0.000 1.146 287 N HN 0.061 nan 8.380 nan 0.000 0.516 288 G N 1.482 110.305 108.800 0.039 0.000 2.153 288 G HA2 -0.274 3.688 3.960 0.003 0.000 0.252 288 G HA3 -0.274 3.688 3.960 0.003 0.000 0.252 288 G C -0.098 174.810 174.900 0.013 0.000 0.994 288 G CA 0.152 45.306 45.100 0.090 0.000 0.698 288 G HN 0.260 nan 8.290 nan 0.000 0.521 289 L N 0.315 121.599 121.223 0.102 0.000 2.275 289 L HA 0.544 4.886 4.340 0.003 0.000 0.288 289 L C 1.120 178.031 176.870 0.068 0.000 1.046 289 L CA -1.005 53.864 54.840 0.050 0.000 0.805 289 L CB 1.245 43.360 42.059 0.094 0.000 1.193 289 L HN 0.056 nan 8.230 nan 0.000 0.426 290 L N 3.843 125.011 121.223 -0.092 0.000 2.439 290 L HA 0.184 4.525 4.340 0.003 0.000 0.269 290 L C -0.332 176.459 176.870 -0.132 0.000 1.179 290 L CA -0.174 54.608 54.840 -0.097 0.000 0.828 290 L CB 0.782 42.714 42.059 -0.212 0.000 1.106 290 L HN 0.400 nan 8.230 nan 0.000 0.467 291 L N 2.754 123.879 121.223 -0.163 0.000 2.377 291 L HA 0.336 4.678 4.340 0.003 0.000 0.270 291 L C -0.511 176.155 176.870 -0.339 0.000 0.991 291 L CA -0.269 54.459 54.840 -0.186 0.000 0.851 291 L CB 0.939 42.949 42.059 -0.082 0.000 1.218 291 L HN 0.458 nan 8.230 nan 0.000 0.420 292 H N 5.264 123.995 119.070 -0.565 0.000 2.646 292 H HA 0.539 5.097 4.556 0.003 0.000 0.325 292 H C -0.816 174.376 175.328 -0.226 0.000 1.075 292 H CA -0.258 55.419 56.048 -0.619 0.000 1.421 292 H CB 0.705 29.807 29.762 -1.100 0.000 1.461 292 H HN 0.507 nan 8.280 nan 0.000 0.525 293 I N 5.760 125.947 120.570 -0.639 0.000 2.378 293 I HA 0.120 4.292 4.170 0.003 0.000 0.291 293 I C 0.026 175.938 176.117 -0.342 0.000 0.992 293 I CA -0.464 60.620 61.300 -0.359 0.000 1.154 293 I CB 1.024 38.794 38.000 -0.382 0.000 1.315 293 I HN 0.728 nan 8.210 nan 0.000 0.448 294 H N 7.355 126.315 119.070 -0.183 0.000 2.473 294 H HA 0.317 4.875 4.556 0.003 0.000 0.327 294 H C 0.330 175.615 175.328 -0.073 0.000 1.105 294 H CA -0.444 55.468 56.048 -0.226 0.000 1.280 294 H CB 1.414 31.097 29.762 -0.133 0.000 1.450 294 H HN 0.579 nan 8.280 nan 0.000 0.492 295 R N 3.161 123.472 120.500 -0.314 0.000 2.568 295 R HA 0.409 4.751 4.340 0.003 0.000 0.288 295 R C 0.160 176.507 176.300 0.078 0.000 1.077 295 R CA -0.431 55.680 56.100 0.018 0.000 1.102 295 R CB -0.065 30.201 30.300 -0.057 0.000 1.278 295 R HN 0.365 nan 8.270 nan 0.000 0.560 296 A N 1.620 124.587 122.820 0.244 0.000 2.598 296 A HA 0.037 4.359 4.320 0.003 0.000 0.239 296 A C 0.954 178.557 177.584 0.032 0.000 1.032 296 A CA 0.939 53.092 52.037 0.194 0.000 0.760 296 A CB -0.179 18.889 19.000 0.114 0.000 0.946 296 A HN 0.871 nan 8.150 nan 0.000 0.512 297 M N 0.624 120.224 119.600 -0.001 0.000 3.019 297 M HA -0.291 4.191 4.480 0.003 0.000 0.214 297 M C 0.940 177.182 176.300 -0.097 0.000 0.577 297 M CA 1.869 57.126 55.300 -0.073 0.000 0.816 297 M CB -2.095 30.454 32.600 -0.084 0.000 2.911 297 M HN 1.267 nan 8.290 nan 0.000 0.302 298 H N -0.802 118.215 119.070 -0.088 0.000 2.387 298 H HA 0.258 4.816 4.556 0.003 0.000 0.299 298 H C 1.733 177.030 175.328 -0.052 0.000 1.099 298 H CA 1.906 57.923 56.048 -0.052 0.000 1.315 298 H CB -0.533 29.238 29.762 0.014 0.000 1.380 298 H HN 0.491 nan 8.280 nan 0.000 0.513 299 A N 1.161 123.433 122.820 -0.913 0.000 2.172 299 A HA 0.009 4.331 4.320 0.003 0.000 0.216 299 A C 2.407 179.836 177.584 -0.259 0.000 1.154 299 A CA 0.997 52.682 52.037 -0.586 0.000 0.701 299 A CB -0.686 17.959 19.000 -0.592 0.000 0.789 299 A HN 0.365 nan 8.150 nan 0.000 0.465 300 V N -0.255 119.541 119.914 -0.197 0.000 2.490 300 V HA -0.223 3.899 4.120 0.003 0.000 0.250 300 V C 2.181 178.233 176.094 -0.071 0.000 1.061 300 V CA 2.024 64.259 62.300 -0.109 0.000 1.064 300 V CB -0.485 31.285 31.823 -0.088 0.000 0.670 300 V HN 0.627 nan 8.190 nan 0.000 0.461 301 I N 0.540 121.066 120.570 -0.075 0.000 2.927 301 I HA -0.002 4.170 4.170 0.003 0.000 0.268 301 I C 1.639 177.738 176.117 -0.031 0.000 1.153 301 I CA 1.024 62.295 61.300 -0.049 0.000 1.459 301 I CB -0.054 37.916 38.000 -0.049 0.000 1.149 301 I HN 0.445 nan 8.210 nan 0.000 0.443 302 D N -0.334 120.043 120.400 -0.039 0.000 2.431 302 D HA -0.026 4.616 4.640 0.003 0.000 0.213 302 D C 1.785 178.057 176.300 -0.046 0.000 1.130 302 D CA -0.038 53.947 54.000 -0.025 0.000 0.834 302 D CB 0.092 40.921 40.800 0.049 0.000 0.985 302 D HN -0.062 nan 8.370 nan 0.000 0.504 303 R N 0.188 120.659 120.500 -0.048 0.000 2.075 303 R HA 0.090 4.432 4.340 0.003 0.000 0.226 303 R C 0.424 176.733 176.300 0.015 0.000 1.114 303 R CA 1.048 57.127 56.100 -0.034 0.000 0.972 303 R CB -0.072 30.192 30.300 -0.059 0.000 0.869 303 R HN 0.043 nan 8.270 nan 0.000 0.437 304 Q N 0.618 120.440 119.800 0.037 0.000 2.261 304 Q HA 0.059 4.400 4.340 0.003 0.000 0.252 304 Q C 0.083 176.140 176.000 0.097 0.000 0.915 304 Q CA 0.022 55.865 55.803 0.067 0.000 0.915 304 Q CB 1.596 30.380 28.738 0.076 0.000 1.204 304 Q HN 0.156 nan 8.270 nan 0.000 0.421 305 K N 2.320 122.781 120.400 0.101 0.000 2.211 305 K HA -0.130 4.192 4.320 0.003 0.000 0.203 305 K C 1.099 177.768 176.600 0.115 0.000 1.050 305 K CA 1.270 57.628 56.287 0.119 0.000 0.945 305 K CB 0.348 32.913 32.500 0.108 0.000 0.732 305 K HN 0.548 nan 8.250 nan 0.000 0.451 306 N N -0.714 118.057 118.700 0.118 0.000 2.424 306 N HA -0.106 4.636 4.740 0.003 0.000 0.178 306 N C -0.225 175.401 175.510 0.193 0.000 1.060 306 N CA 0.681 53.808 53.050 0.129 0.000 0.901 306 N CB 0.006 38.561 38.487 0.114 0.000 0.979 306 N HN 0.219 nan 8.380 nan 0.000 0.451 307 H N -1.652 117.479 119.070 0.100 0.000 3.038 307 H HA 0.564 5.121 4.556 0.003 0.000 0.362 307 H C 0.127 175.546 175.328 0.152 0.000 1.167 307 H CA 0.367 56.504 56.048 0.149 0.000 1.197 307 H CB 1.489 31.326 29.762 0.124 0.000 1.840 307 H HN 0.311 nan 8.280 nan 0.000 0.540 308 G N 2.153 110.882 108.800 -0.118 0.000 2.301 308 G HA2 -0.022 3.940 3.960 0.003 0.000 0.194 308 G HA3 -0.022 3.940 3.960 0.003 0.000 0.194 308 G C -1.418 173.455 174.900 -0.045 0.000 1.266 308 G CA -0.327 44.739 45.100 -0.056 0.000 1.210 308 G HN 0.645 nan 8.290 nan 0.000 0.524 309 M N 0.813 120.371 119.600 -0.069 0.000 2.326 309 M HA 0.383 4.865 4.480 0.003 0.000 0.292 309 M C -0.291 176.014 176.300 0.009 0.000 1.081 309 M CA -0.806 54.454 55.300 -0.066 0.000 0.919 309 M CB 2.339 34.819 32.600 -0.200 0.000 1.634 309 M HN 0.757 nan 8.290 nan 0.000 0.451 310 H N 1.959 121.024 119.070 -0.008 0.000 2.771 310 H HA 0.045 4.603 4.556 0.003 0.000 0.364 310 H C 0.156 175.521 175.328 0.062 0.000 1.133 310 H CA 0.831 56.919 56.048 0.066 0.000 1.423 310 H CB 0.826 30.636 29.762 0.080 0.000 1.425 310 H HN 0.783 nan 8.280 nan 0.000 0.606 311 F N 4.956 124.674 119.950 -0.385 0.000 2.250 311 F HA -0.194 4.334 4.527 0.003 0.000 0.301 311 F C 2.583 178.322 175.800 -0.101 0.000 1.077 311 F CA 1.643 59.495 58.000 -0.246 0.000 1.348 311 F CB -0.129 38.574 39.000 -0.495 0.000 1.040 311 F HN 0.679 nan 8.300 nan 0.000 0.509 312 R N -0.360 120.221 120.500 0.136 0.000 2.159 312 R HA -0.117 4.225 4.340 0.003 0.000 0.237 312 R C 1.776 178.031 176.300 -0.075 0.000 1.131 312 R CA 1.843 57.941 56.100 -0.003 0.000 0.982 312 R CB -1.423 29.056 30.300 0.299 0.000 0.868 312 R HN 0.302 nan 8.270 nan 0.000 0.453 313 V N 1.988 121.892 119.914 -0.016 0.000 2.323 313 V HA -0.169 3.953 4.120 0.003 0.000 0.244 313 V C 2.489 178.609 176.094 0.043 0.000 1.041 313 V CA 1.519 63.826 62.300 0.011 0.000 1.025 313 V CB -0.399 31.409 31.823 -0.025 0.000 0.656 313 V HN 0.269 nan 8.190 nan 0.000 0.451 314 L N 0.159 121.356 121.223 -0.043 0.000 2.131 314 L HA -0.148 4.194 4.340 0.003 0.000 0.210 314 L C 2.667 179.475 176.870 -0.103 0.000 1.092 314 L CA 1.412 56.303 54.840 0.085 0.000 0.759 314 L CB -0.790 41.311 42.059 0.069 0.000 0.903 314 L HN 0.367 nan 8.230 nan 0.000 0.435 315 A N 0.266 122.737 122.820 -0.582 0.000 1.872 315 A HA -0.166 4.156 4.320 0.003 0.000 0.214 315 A C 2.345 179.834 177.584 -0.157 0.000 1.187 315 A CA 1.315 53.051 52.037 -0.503 0.000 0.614 315 A CB -0.263 18.343 19.000 -0.658 0.000 0.826 315 A HN 0.276 nan 8.150 nan 0.000 0.442 316 K N -0.146 120.239 120.400 -0.024 0.000 2.097 316 K HA -0.078 4.244 4.320 0.003 0.000 0.206 316 K C 2.229 178.860 176.600 0.051 0.000 1.049 316 K CA 1.108 57.488 56.287 0.154 0.000 0.933 316 K CB -0.319 32.321 32.500 0.232 0.000 0.717 316 K HN 0.438 nan 8.250 nan 0.000 0.442 317 A N 1.745 124.579 122.820 0.024 0.000 1.972 317 A HA -0.127 4.195 4.320 0.003 0.000 0.219 317 A C 2.031 179.617 177.584 0.003 0.000 1.169 317 A CA 0.928 52.904 52.037 -0.101 0.000 0.635 317 A CB -0.421 18.473 19.000 -0.176 0.000 0.810 317 A HN 0.219 nan 8.150 nan 0.000 0.446 318 L N -0.370 120.886 121.223 0.055 0.000 2.072 318 L HA -0.076 4.266 4.340 0.003 0.000 0.205 318 L C 2.443 179.198 176.870 -0.193 0.000 1.079 318 L CA 2.150 56.913 54.840 -0.128 0.000 0.752 318 L CB -0.819 40.928 42.059 -0.521 0.000 0.906 318 L HN 0.536 nan 8.230 nan 0.000 0.436 319 R N -0.542 119.817 120.500 -0.234 0.000 2.120 319 R HA -0.180 4.162 4.340 0.003 0.000 0.234 319 R C 2.262 178.383 176.300 -0.298 0.000 1.123 319 R CA 1.631 57.528 56.100 -0.339 0.000 0.975 319 R CB -0.068 29.883 30.300 -0.582 0.000 0.866 319 R HN 0.365 nan 8.270 nan 0.000 0.446 320 M N -1.011 118.430 119.600 -0.265 0.000 2.098 320 M HA -0.103 4.379 4.480 0.003 0.000 0.262 320 M C 2.502 178.742 176.300 -0.100 0.000 1.072 320 M CA 1.729 56.816 55.300 -0.355 0.000 1.133 320 M CB -0.224 31.872 32.600 -0.841 0.000 1.344 320 M HN 0.124 nan 8.290 nan 0.000 0.414 321 S N -0.339 115.335 115.700 -0.042 0.000 2.368 321 S HA 0.089 4.561 4.470 0.003 0.000 0.224 321 S C 0.830 175.463 174.600 0.056 0.000 1.029 321 S CA 1.258 59.531 58.200 0.122 0.000 0.988 321 S CB -0.334 63.034 63.200 0.281 0.000 0.838 321 S HN 0.660 nan 8.310 nan 0.000 0.462 322 G N -1.541 107.244 108.800 -0.024 0.000 2.957 322 G HA2 0.429 4.391 3.960 0.003 0.000 0.636 322 G HA3 0.429 4.391 3.960 0.003 0.000 0.636 322 G C -0.345 174.489 174.900 -0.111 0.000 1.401 322 G CA -0.454 44.609 45.100 -0.061 0.000 0.941 322 G HN 1.041 nan 8.290 nan 0.000 0.610 323 G N 0.419 109.134 108.800 -0.142 0.000 2.655 323 G HA2 0.601 4.563 3.960 0.003 0.000 0.296 323 G HA3 0.601 4.563 3.960 0.003 0.000 0.296 323 G C -0.190 174.628 174.900 -0.137 0.000 1.485 323 G CA 0.169 45.171 45.100 -0.164 0.000 0.869 323 G HN 0.354 nan 8.290 nan 0.000 0.540 324 D N -0.441 119.881 120.400 -0.130 0.000 2.301 324 D HA 0.107 4.749 4.640 0.003 0.000 0.206 324 D C 0.394 176.729 176.300 0.060 0.000 0.979 324 D CA 1.050 55.017 54.000 -0.054 0.000 0.874 324 D CB 0.336 41.096 40.800 -0.066 0.000 0.968 324 D HN 0.583 nan 8.370 nan 0.000 0.510 325 H N -0.890 118.063 119.070 -0.194 0.000 2.821 325 H HA 0.623 5.181 4.556 0.003 0.000 0.373 325 H C -0.768 174.373 175.328 -0.313 0.000 1.165 325 H CA -0.862 55.057 56.048 -0.214 0.000 1.154 325 H CB 3.090 32.731 29.762 -0.201 0.000 1.765 325 H HN -0.153 nan 8.280 nan 0.000 0.549 326 I N 1.279 121.789 120.570 -0.101 0.000 2.752 326 I HA 0.169 4.341 4.170 0.003 0.000 0.295 326 I C -0.614 175.484 176.117 -0.032 0.000 1.219 326 I CA -0.581 60.637 61.300 -0.137 0.000 1.030 326 I CB 1.971 39.894 38.000 -0.127 0.000 1.259 326 I HN 0.693 nan 8.210 nan 0.000 0.423 327 H N 5.651 124.585 119.070 -0.227 0.000 2.848 327 H HA 0.239 4.797 4.556 0.003 0.000 0.341 327 H C 0.143 175.352 175.328 -0.199 0.000 1.060 327 H CA 0.454 56.370 56.048 -0.221 0.000 1.444 327 H CB 1.344 30.908 29.762 -0.330 0.000 1.446 327 H HN 0.687 nan 8.280 nan 0.000 0.583 328 A N 2.816 125.609 122.820 -0.045 0.000 2.635 328 A HA 0.423 4.745 4.320 0.003 0.000 0.279 328 A C 0.924 178.594 177.584 0.143 0.000 1.122 328 A CA 0.371 52.475 52.037 0.113 0.000 0.965 328 A CB 0.440 19.665 19.000 0.375 0.000 1.221 328 A HN 1.007 nan 8.150 nan 0.000 0.566 329 G N -0.961 107.817 108.800 -0.038 0.000 2.661 329 G HA2 0.102 4.064 3.960 0.003 0.000 0.685 329 G HA3 0.102 4.064 3.960 0.003 0.000 0.685 329 G C 0.416 175.343 174.900 0.044 0.000 1.298 329 G CA 0.327 45.434 45.100 0.012 0.000 0.855 329 G HN 1.268 nan 8.290 nan 0.000 0.560 330 T N -3.397 111.182 114.554 0.042 0.000 2.959 330 T HA 0.460 4.812 4.350 0.003 0.000 0.254 330 T C 1.834 176.609 174.700 0.126 0.000 1.003 330 T CA 1.359 63.498 62.100 0.065 0.000 0.950 330 T CB 0.467 69.260 68.868 -0.125 0.000 1.090 330 T HN 2.276 nan 8.240 nan 0.000 0.503 331 V N 0.909 120.868 119.914 0.075 0.000 0.481 331 V HA -0.334 3.787 4.120 0.003 0.000 0.092 331 V C 2.077 178.172 176.094 0.003 0.000 2.400 331 V CA 2.072 64.393 62.300 0.035 0.000 3.646 331 V CB -1.946 29.880 31.823 0.006 0.000 0.927 331 V HN 0.745 nan 8.190 nan 0.000 0.973 332 V N -1.181 118.700 119.914 -0.054 0.000 3.650 332 V HA 0.656 4.778 4.120 0.003 0.000 0.271 332 V C 1.292 177.275 176.094 -0.185 0.000 1.281 332 V CA 1.359 63.599 62.300 -0.100 0.000 1.120 332 V CB -0.067 31.658 31.823 -0.164 0.000 0.856 332 V HN 0.887 nan 8.190 nan 0.000 0.443 333 G N 1.445 110.095 108.800 -0.251 0.000 2.582 333 G HA2 0.252 4.214 3.960 0.003 0.000 0.232 333 G HA3 0.252 4.214 3.960 0.003 0.000 0.232 333 G C 0.761 175.311 174.900 -0.585 0.000 1.458 333 G CA 0.074 44.946 45.100 -0.379 0.000 1.062 333 G HN 0.498 nan 8.290 nan 0.000 0.566 334 K N -1.150 118.709 120.400 -0.901 0.000 2.365 334 K HA 0.179 4.501 4.320 0.003 0.000 0.197 334 K C 0.170 176.554 176.600 -0.361 0.000 1.042 334 K CA 0.281 55.989 56.287 -0.965 0.000 0.987 334 K CB -0.186 31.781 32.500 -0.887 0.000 0.779 334 K HN 0.175 nan 8.250 nan 0.000 0.484 335 L N 1.839 122.917 121.223 -0.241 0.000 2.334 335 L HA 0.295 4.637 4.340 0.003 0.000 0.272 335 L C -0.011 176.821 176.870 -0.062 0.000 1.020 335 L CA -0.963 53.801 54.840 -0.126 0.000 0.812 335 L CB 1.768 43.770 42.059 -0.094 0.000 1.264 335 L HN 0.112 nan 8.230 nan 0.000 0.439 336 E N 0.758 120.940 120.200 -0.029 0.000 2.398 336 E HA 0.437 4.789 4.350 0.003 0.000 0.263 336 E C -0.307 176.322 176.600 0.049 0.000 1.046 336 E CA -0.031 56.381 56.400 0.020 0.000 0.908 336 E CB 0.769 30.482 29.700 0.021 0.000 0.963 336 E HN 0.739 nan 8.360 nan 0.000 0.431 337 G N 4.293 113.139 108.800 0.076 0.000 2.718 337 G HA2 -0.026 3.936 3.960 0.003 0.000 0.302 337 G HA3 -0.026 3.936 3.960 0.003 0.000 0.302 337 G C -0.923 174.032 174.900 0.092 0.000 2.393 337 G CA -0.676 44.493 45.100 0.115 0.000 0.854 337 G HN 0.492 nan 8.290 nan 0.000 0.388 338 E N 1.903 122.168 120.200 0.109 0.000 2.414 338 E HA 0.070 4.422 4.350 0.003 0.000 0.263 338 E C 1.446 178.055 176.600 0.015 0.000 1.000 338 E CA -0.367 56.076 56.400 0.071 0.000 0.914 338 E CB 0.951 30.709 29.700 0.097 0.000 0.948 338 E HN 0.578 nan 8.360 nan 0.000 0.444 339 R N 3.502 123.993 120.500 -0.016 0.000 2.080 339 R HA -0.180 4.162 4.340 0.003 0.000 0.236 339 R C 1.511 177.743 176.300 -0.113 0.000 1.137 339 R CA 1.701 57.756 56.100 -0.076 0.000 0.943 339 R CB 0.088 30.349 30.300 -0.065 0.000 0.846 339 R HN 0.496 nan 8.270 nan 0.000 0.431 340 E N 0.780 120.937 120.200 -0.071 0.000 2.072 340 E HA -0.217 4.135 4.350 0.003 0.000 0.191 340 E C 2.009 178.546 176.600 -0.104 0.000 0.985 340 E CA 1.761 58.112 56.400 -0.083 0.000 0.801 340 E CB -0.326 29.345 29.700 -0.049 0.000 0.750 340 E HN 0.614 nan 8.360 nan 0.000 0.452 341 M N -0.406 119.159 119.600 -0.059 0.000 2.229 341 M HA -0.015 4.467 4.480 0.003 0.000 0.264 341 M C 1.865 177.953 176.300 -0.352 0.000 1.063 341 M CA 1.599 56.877 55.300 -0.036 0.000 1.114 341 M CB -0.613 32.098 32.600 0.185 0.000 1.387 341 M HN -0.215 nan 8.290 nan 0.000 0.420 342 T N 2.274 116.528 114.554 -0.501 0.000 2.737 342 T HA 0.033 4.385 4.350 0.003 0.000 0.265 342 T C 1.926 176.171 174.700 -0.757 0.000 1.038 342 T CA 1.454 62.918 62.100 -1.060 0.000 1.144 342 T CB -0.391 68.232 68.868 -0.407 0.000 0.866 342 T HN 0.394 nan 8.240 nan 0.000 0.434 343 L N 0.760 121.743 121.223 -0.401 0.000 2.127 343 L HA -0.052 4.290 4.340 0.003 0.000 0.211 343 L C 2.933 179.693 176.870 -0.182 0.000 1.089 343 L CA 1.296 55.980 54.840 -0.261 0.000 0.757 343 L CB -0.936 41.010 42.059 -0.189 0.000 0.899 343 L HN 0.359 nan 8.230 nan 0.000 0.434 344 G N 0.850 109.538 108.800 -0.186 0.000 2.404 344 G HA2 -0.297 3.665 3.960 0.003 0.000 0.215 344 G HA3 -0.297 3.665 3.960 0.003 0.000 0.215 344 G C 1.298 176.238 174.900 0.067 0.000 1.174 344 G CA 0.923 45.994 45.100 -0.048 0.000 0.780 344 G HN 0.479 nan 8.290 nan 0.000 0.537 345 F N 0.592 120.634 119.950 0.152 0.000 2.456 345 F HA 0.234 4.763 4.527 0.003 0.000 0.298 345 F C 2.186 178.089 175.800 0.172 0.000 1.104 345 F CA -0.079 58.028 58.000 0.178 0.000 1.435 345 F CB -0.889 38.256 39.000 0.243 0.000 1.078 345 F HN -0.015 nan 8.300 nan 0.000 0.546 346 V N 1.328 121.374 119.914 0.220 0.000 2.343 346 V HA -0.256 3.866 4.120 0.003 0.000 0.247 346 V C 2.082 178.280 176.094 0.174 0.000 1.051 346 V CA 2.321 64.764 62.300 0.239 0.000 1.036 346 V CB -0.653 31.262 31.823 0.154 0.000 0.654 346 V HN 0.250 nan 8.190 nan 0.000 0.451 347 D N -0.029 120.447 120.400 0.126 0.000 2.144 347 D HA -0.088 4.554 4.640 0.003 0.000 0.200 347 D C 2.119 178.526 176.300 0.179 0.000 0.978 347 D CA 0.997 55.072 54.000 0.125 0.000 0.833 347 D CB -0.246 40.609 40.800 0.093 0.000 0.961 347 D HN 0.330 nan 8.370 nan 0.000 0.470 348 L N 0.134 121.495 121.223 0.229 0.000 2.187 348 L HA -0.144 4.198 4.340 0.003 0.000 0.213 348 L C 2.338 179.355 176.870 0.245 0.000 1.100 348 L CA 0.619 55.654 54.840 0.326 0.000 0.765 348 L CB -0.202 42.056 42.059 0.332 0.000 0.904 348 L HN 0.059 nan 8.230 nan 0.000 0.437 349 L N -1.231 120.076 121.223 0.140 0.000 2.209 349 L HA -0.057 4.285 4.340 0.003 0.000 0.207 349 L C 2.612 179.433 176.870 -0.081 0.000 1.094 349 L CA 0.853 55.688 54.840 -0.008 0.000 0.790 349 L CB -0.151 41.950 42.059 0.070 0.000 0.932 349 L HN 0.157 nan 8.230 nan 0.000 0.447 350 R N -1.124 119.383 120.500 0.012 0.000 2.195 350 R HA 0.098 4.440 4.340 0.003 0.000 0.197 350 R C -0.060 176.252 176.300 0.021 0.000 0.990 350 R CA -0.011 56.092 56.100 0.006 0.000 1.048 350 R CB 0.247 30.581 30.300 0.057 0.000 0.997 350 R HN 0.198 nan 8.270 nan 0.000 0.502 351 D N 0.332 120.783 120.400 0.085 0.000 2.348 351 D HA 0.001 4.643 4.640 0.003 0.000 0.249 351 D C 0.349 176.780 176.300 0.219 0.000 1.110 351 D CA -0.039 54.048 54.000 0.144 0.000 0.967 351 D CB 1.059 41.963 40.800 0.173 0.000 1.139 351 D HN -0.121 nan 8.370 nan 0.000 0.466 352 D N -0.942 119.605 120.400 0.245 0.000 2.240 352 D HA -0.003 4.639 4.640 0.003 0.000 0.206 352 D C -0.588 175.975 176.300 0.438 0.000 0.963 352 D CA 0.370 54.564 54.000 0.324 0.000 0.863 352 D CB 0.262 41.205 40.800 0.238 0.000 0.973 352 D HN 0.197 nan 8.370 nan 0.000 0.501 353 F N 0.131 120.193 119.950 0.186 0.000 2.585 353 F HA 0.442 4.971 4.527 0.003 0.000 0.319 353 F C -1.716 174.150 175.800 0.110 0.000 1.165 353 F CA -0.988 57.085 58.000 0.121 0.000 0.949 353 F CB 1.149 40.194 39.000 0.076 0.000 1.218 353 F HN -0.330 nan 8.300 nan 0.000 0.453 354 I N 5.464 125.866 120.570 -0.281 0.000 2.411 354 I HA 0.270 4.441 4.170 0.003 0.000 0.284 354 I C -0.437 175.517 176.117 -0.273 0.000 1.012 354 I CA -0.400 60.829 61.300 -0.119 0.000 1.119 354 I CB 1.692 39.693 38.000 0.001 0.000 1.261 354 I HN 0.472 nan 8.210 nan 0.000 0.448 355 E N 4.967 125.102 120.200 -0.108 0.000 2.383 355 E HA 0.119 4.471 4.350 0.003 0.000 0.264 355 E C -0.033 176.536 176.600 -0.051 0.000 1.050 355 E CA -0.710 55.646 56.400 -0.073 0.000 0.896 355 E CB 0.972 30.719 29.700 0.078 0.000 0.982 355 E HN 0.371 nan 8.360 nan 0.000 0.424 356 K N 2.185 122.559 120.400 -0.044 0.000 2.550 356 K HA -0.144 4.178 4.320 0.003 0.000 0.280 356 K C -0.691 175.878 176.600 -0.052 0.000 0.987 356 K CA 0.754 57.019 56.287 -0.037 0.000 1.048 356 K CB 0.304 32.789 32.500 -0.025 0.000 0.879 356 K HN 0.382 nan 8.250 nan 0.000 0.491 357 D N 3.671 124.020 120.400 -0.085 0.000 2.362 357 D HA 0.141 4.783 4.640 0.003 0.000 0.232 357 D C 0.157 176.364 176.300 -0.155 0.000 1.329 357 D CA -0.482 53.462 54.000 -0.092 0.000 0.944 357 D CB 0.587 41.354 40.800 -0.055 0.000 1.471 357 D HN 0.497 nan 8.370 nan 0.000 0.533 358 R N 1.798 122.173 120.500 -0.209 0.000 2.237 358 R HA 0.037 4.379 4.340 0.003 0.000 0.219 358 R C 1.539 177.711 176.300 -0.214 0.000 1.080 358 R CA 0.948 56.860 56.100 -0.314 0.000 0.995 358 R CB -0.284 29.809 30.300 -0.346 0.000 0.875 358 R HN 0.433 nan 8.270 nan 0.000 0.462 359 A N 0.649 123.388 122.820 -0.135 0.000 2.209 359 A HA -0.048 4.273 4.320 0.003 0.000 0.212 359 A C 1.584 179.118 177.584 -0.082 0.000 1.158 359 A CA 0.784 52.765 52.037 -0.094 0.000 0.742 359 A CB -0.031 18.929 19.000 -0.067 0.000 0.790 359 A HN 0.154 nan 8.150 nan 0.000 0.472 360 R N -1.931 118.513 120.500 -0.093 0.000 2.600 360 R HA 0.250 4.592 4.340 0.003 0.000 0.392 360 R C 0.912 177.174 176.300 -0.064 0.000 1.032 360 R CA 0.424 56.482 56.100 -0.070 0.000 1.139 360 R CB 0.387 30.652 30.300 -0.059 0.000 1.400 360 R HN 0.571 nan 8.270 nan 0.000 0.566 361 G N 1.809 110.538 108.800 -0.119 0.000 2.168 361 G HA2 -0.277 3.685 3.960 0.003 0.000 0.257 361 G HA3 -0.277 3.685 3.960 0.003 0.000 0.257 361 G C 0.144 175.029 174.900 -0.025 0.000 0.997 361 G CA 0.044 45.075 45.100 -0.115 0.000 0.708 361 G HN 0.292 nan 8.290 nan 0.000 0.520 362 I N 0.758 121.282 120.570 -0.078 0.000 2.281 362 I HA 0.331 4.503 4.170 0.003 0.000 0.293 362 I C 1.206 177.286 176.117 -0.061 0.000 1.085 362 I CA -0.820 60.493 61.300 0.023 0.000 1.257 362 I CB 0.306 38.310 38.000 0.006 0.000 1.430 362 I HN -0.011 nan 8.210 nan 0.000 0.489 363 F N 5.046 124.885 119.950 -0.186 0.000 2.456 363 F HA 0.119 4.648 4.527 0.002 0.000 0.298 363 F C 0.454 175.923 175.800 -0.552 0.000 1.104 363 F CA 0.598 58.356 58.000 -0.405 0.000 1.435 363 F CB -0.106 38.503 39.000 -0.651 0.000 1.078 363 F HN 0.190 nan 8.300 nan 0.000 0.546 364 F N -1.540 118.520 119.950 0.183 0.000 2.588 364 F HA 0.373 4.902 4.527 0.004 0.000 0.310 364 F C 0.346 176.117 175.800 -0.048 0.000 1.082 364 F CA -1.666 56.376 58.000 0.070 0.000 0.929 364 F CB 0.815 39.850 39.000 0.059 0.000 1.254 364 F HN -0.539 nan 8.300 nan 0.000 0.455 365 T N 1.765 116.381 114.554 0.104 0.000 2.901 365 T HA 0.265 4.617 4.350 0.003 0.000 0.301 365 T C -0.485 174.076 174.700 -0.231 0.000 1.012 365 T CA -0.002 62.015 62.100 -0.138 0.000 1.135 365 T CB 0.636 69.405 68.868 -0.165 0.000 0.936 365 T HN 0.436 nan 8.240 nan 0.000 0.539 366 Q N 2.624 122.180 119.800 -0.407 0.000 2.325 366 Q HA 0.380 4.722 4.340 0.003 0.000 0.270 366 Q C -1.605 174.020 176.000 -0.626 0.000 1.020 366 Q CA -0.694 54.818 55.803 -0.486 0.000 0.785 366 Q CB 1.369 29.853 28.738 -0.424 0.000 1.259 366 Q HN 0.496 nan 8.270 nan 0.000 0.452 367 D N 3.270 123.364 120.400 -0.510 0.000 2.425 367 D HA 0.223 4.865 4.640 0.003 0.000 0.240 367 D C -0.608 175.583 176.300 -0.182 0.000 1.080 367 D CA -0.355 53.535 54.000 -0.184 0.000 0.836 367 D CB 0.578 41.428 40.800 0.084 0.000 1.125 367 D HN 0.740 nan 8.370 nan 0.000 0.525 368 W N 2.897 124.239 121.300 0.071 0.000 3.290 368 W HA 0.064 4.726 4.660 0.003 0.000 0.287 368 W C 1.080 177.633 176.519 0.056 0.000 1.288 368 W CA -0.364 57.007 57.345 0.043 0.000 1.725 368 W CB 0.124 29.601 29.460 0.028 0.000 1.103 368 W HN 0.381 nan 8.180 nan 0.000 0.670 369 V N -0.049 120.026 119.914 0.268 0.000 5.562 369 V HA -0.401 3.721 4.120 0.003 0.000 0.232 369 V C 0.641 176.834 176.094 0.165 0.000 0.694 369 V CA 0.689 63.101 62.300 0.186 0.000 0.574 369 V CB -2.439 29.466 31.823 0.136 0.000 0.230 369 V HN 0.499 nan 8.190 nan 0.000 0.568 370 S N -2.025 113.776 115.700 0.169 0.000 3.084 370 S HA -0.309 4.162 4.470 0.003 0.000 0.277 370 S C 0.451 175.102 174.600 0.086 0.000 1.295 370 S CA 1.408 59.676 58.200 0.113 0.000 1.170 370 S CB -1.456 61.792 63.200 0.081 0.000 1.412 370 S HN 1.569 nan 8.310 nan 0.000 0.669 371 M N 2.613 122.281 119.600 0.114 0.000 2.251 371 M HA 0.125 4.607 4.480 0.003 0.000 0.343 371 M C -2.264 174.001 176.300 -0.058 0.000 1.245 371 M CA -0.865 54.449 55.300 0.024 0.000 1.061 371 M CB 0.335 32.938 32.600 0.005 0.000 1.723 371 M HN -0.123 nan 8.290 nan 0.000 0.449 372 P HA 0.109 nan 4.420 nan 0.000 0.268 372 P C -0.504 176.709 177.300 -0.146 0.000 1.208 372 P CA -0.081 62.975 63.100 -0.072 0.000 0.777 372 P CB 0.427 32.093 31.700 -0.056 0.000 0.875 373 G N 0.814 109.553 108.800 -0.103 0.000 2.537 373 G HA2 0.454 4.416 3.960 0.003 0.000 0.273 373 G HA3 0.454 4.416 3.960 0.003 0.000 0.273 373 G C -0.897 173.944 174.900 -0.099 0.000 1.189 373 G CA -0.387 44.634 45.100 -0.132 0.000 0.881 373 G HN 0.359 nan 8.290 nan 0.000 0.535 374 V N 1.399 121.247 119.914 -0.109 0.000 2.513 374 V HA 0.302 4.424 4.120 0.003 0.000 0.299 374 V C 0.303 176.384 176.094 -0.022 0.000 1.035 374 V CA -0.625 61.632 62.300 -0.071 0.000 0.889 374 V CB 1.657 33.408 31.823 -0.119 0.000 0.988 374 V HN 0.562 nan 8.190 nan 0.000 0.440 375 I N 7.680 128.255 120.570 0.009 0.000 2.452 375 I HA 0.219 4.391 4.170 0.003 0.000 0.287 375 I C -1.931 174.142 176.117 -0.073 0.000 1.079 375 I CA -1.421 59.859 61.300 -0.032 0.000 1.387 375 I CB 1.269 39.212 38.000 -0.096 0.000 1.404 375 I HN 0.417 nan 8.210 nan 0.000 0.522 376 P HA 0.133 nan 4.420 nan 0.000 0.275 376 P C -0.781 176.382 177.300 -0.229 0.000 1.227 376 P CA -0.152 62.915 63.100 -0.055 0.000 0.781 376 P CB 1.599 33.348 31.700 0.081 0.000 0.906 377 V N 2.776 122.520 119.914 -0.284 0.000 2.409 377 V HA 0.525 4.647 4.120 0.003 0.000 0.291 377 V C 0.379 176.151 176.094 -0.537 0.000 1.020 377 V CA -0.771 61.275 62.300 -0.424 0.000 0.848 377 V CB 1.341 32.900 31.823 -0.440 0.000 0.990 377 V HN 0.712 nan 8.190 nan 0.000 0.430 378 A N 3.810 126.253 122.820 -0.627 0.000 2.260 378 A HA 0.850 5.172 4.320 0.003 0.000 0.314 378 A C -0.067 177.227 177.584 -0.482 0.000 1.257 378 A CA -0.313 51.359 52.037 -0.609 0.000 0.871 378 A CB 1.181 19.681 19.000 -0.834 0.000 1.166 378 A HN 0.839 nan 8.150 nan 0.000 0.522 379 S N 1.449 116.930 115.700 -0.365 0.000 2.533 379 S HA 0.746 5.218 4.470 0.003 0.000 0.271 379 S C -0.552 173.926 174.600 -0.203 0.000 1.143 379 S CA 0.388 58.403 58.200 -0.309 0.000 0.891 379 S CB 1.350 64.410 63.200 -0.232 0.000 1.105 379 S HN 2.590 nan 8.310 nan 0.000 0.468 380 G N 1.670 110.338 108.800 -0.221 0.000 2.881 380 G HA2 0.453 4.415 3.960 0.003 0.000 0.597 380 G HA3 0.453 4.415 3.960 0.003 0.000 0.597 380 G C 0.825 175.567 174.900 -0.262 0.000 1.188 380 G CA 0.332 45.322 45.100 -0.183 0.000 1.218 380 G HN 2.127 nan 8.290 nan 0.000 0.544 381 G N 0.226 108.900 108.800 -0.210 0.000 2.160 381 G HA2 -0.032 3.930 3.960 0.003 0.000 0.251 381 G HA3 -0.032 3.930 3.960 0.003 0.000 0.251 381 G C 0.605 175.476 174.900 -0.047 0.000 1.008 381 G CA 1.009 45.981 45.100 -0.212 0.000 0.724 381 G HN 2.248 nan 8.290 nan 0.000 0.514 382 I N -2.157 118.361 120.570 -0.087 0.000 2.707 382 I HA 0.972 5.144 4.170 0.003 0.000 0.309 382 I C 0.193 176.505 176.117 0.326 0.000 1.001 382 I CA -1.383 59.955 61.300 0.063 0.000 1.129 382 I CB 1.743 39.629 38.000 -0.190 0.000 1.308 382 I HN 0.333 nan 8.210 nan 0.000 0.466 383 H N 0.925 120.342 119.070 0.578 0.000 2.942 383 H HA 0.440 4.998 4.556 0.003 0.000 0.316 383 H C 0.577 175.996 175.328 0.152 0.000 1.323 383 H CA -0.451 55.692 56.048 0.159 0.000 1.144 383 H CB 0.584 30.136 29.762 -0.350 0.000 1.866 383 H HN 0.368 nan 8.280 nan 0.000 0.545 384 V N -2.826 117.184 119.914 0.161 0.000 2.380 384 V HA -0.257 3.865 4.120 0.003 0.000 0.251 384 V C 1.315 177.411 176.094 0.004 0.000 1.063 384 V CA 1.885 64.149 62.300 -0.060 0.000 1.055 384 V CB -1.240 30.451 31.823 -0.220 0.000 0.657 384 V HN 0.784 nan 8.190 nan 0.000 0.455 385 W N 0.357 121.788 121.300 0.218 0.000 2.525 385 W HA 0.063 4.725 4.660 0.004 0.000 0.259 385 W C 2.413 178.910 176.519 -0.037 0.000 1.253 385 W CA 1.213 58.594 57.345 0.060 0.000 1.262 385 W CB -0.585 28.934 29.460 0.098 0.000 1.122 385 W HN 0.401 nan 8.180 nan 0.000 0.607 386 H N -1.203 117.989 119.070 0.203 0.000 2.551 386 H HA -0.016 4.542 4.556 0.003 0.000 0.266 386 H C 2.009 177.431 175.328 0.156 0.000 0.977 386 H CA 0.578 56.697 56.048 0.119 0.000 1.163 386 H CB 0.027 29.799 29.762 0.017 0.000 1.381 386 H HN -0.009 nan 8.280 nan 0.000 0.581 387 M N 1.301 121.051 119.600 0.251 0.000 2.106 387 M HA -0.082 4.400 4.480 0.003 0.000 0.259 387 M C -1.057 175.343 176.300 0.166 0.000 1.068 387 M CA 1.675 57.091 55.300 0.194 0.000 1.100 387 M CB -0.412 32.230 32.600 0.070 0.000 1.351 387 M HN 0.095 nan 8.290 nan 0.000 0.404 388 P HA -0.046 nan 4.420 nan 0.000 0.216 388 P C 1.098 178.475 177.300 0.128 0.000 1.153 388 P CA 2.073 65.248 63.100 0.125 0.000 0.848 388 P CB -0.268 31.506 31.700 0.123 0.000 0.787 389 A N -0.611 122.299 122.820 0.151 0.000 1.902 389 A HA -0.155 4.167 4.320 0.003 0.000 0.217 389 A C 2.192 179.851 177.584 0.125 0.000 1.181 389 A CA 1.436 53.546 52.037 0.122 0.000 0.623 389 A CB -1.688 17.396 19.000 0.140 0.000 0.818 389 A HN 0.095 nan 8.150 nan 0.000 0.443 390 L N -0.781 120.557 121.223 0.192 0.000 2.046 390 L HA -0.156 4.186 4.340 0.003 0.000 0.208 390 L C 2.757 179.792 176.870 0.274 0.000 1.077 390 L CA 1.750 56.761 54.840 0.285 0.000 0.747 390 L CB -0.903 41.319 42.059 0.272 0.000 0.896 390 L HN 0.324 nan 8.230 nan 0.000 0.432 391 T N -1.179 113.489 114.554 0.189 0.000 2.788 391 T HA -0.191 4.161 4.350 0.003 0.000 0.268 391 T C 1.858 176.622 174.700 0.107 0.000 1.044 391 T CA 1.172 63.362 62.100 0.151 0.000 1.139 391 T CB -0.122 68.817 68.868 0.117 0.000 0.867 391 T HN 0.280 nan 8.240 nan 0.000 0.454 392 E N 0.943 121.187 120.200 0.074 0.000 2.072 392 E HA -0.043 4.309 4.350 0.003 0.000 0.190 392 E C 2.176 178.753 176.600 -0.038 0.000 0.982 392 E CA 0.852 57.267 56.400 0.025 0.000 0.803 392 E CB -0.212 29.502 29.700 0.023 0.000 0.755 392 E HN 0.495 nan 8.360 nan 0.000 0.453 393 I N -0.328 120.179 120.570 -0.104 0.000 2.202 393 I HA -0.232 3.939 4.170 0.003 0.000 0.242 393 I C 1.923 177.766 176.117 -0.457 0.000 1.091 393 I CA 1.063 62.155 61.300 -0.346 0.000 1.368 393 I CB -0.169 37.483 38.000 -0.580 0.000 1.058 393 I HN 0.022 nan 8.210 nan 0.000 0.410 394 F N 0.257 120.209 119.950 0.004 0.000 2.582 394 F HA 0.352 4.881 4.527 0.003 0.000 0.290 394 F C 1.545 177.354 175.800 0.015 0.000 1.115 394 F CA 0.566 58.568 58.000 0.004 0.000 1.445 394 F CB -0.633 38.365 39.000 -0.002 0.000 1.126 394 F HN 0.125 nan 8.300 nan 0.000 0.574 395 G N 0.687 109.587 108.800 0.166 0.000 2.741 395 G HA2 -0.265 3.697 3.960 0.003 0.000 0.222 395 G HA3 -0.265 3.697 3.960 0.003 0.000 0.222 395 G C 0.130 175.106 174.900 0.128 0.000 1.364 395 G CA -0.035 45.135 45.100 0.117 0.000 0.866 395 G HN 0.123 nan 8.290 nan 0.000 0.555 396 D N 0.329 120.787 120.400 0.097 0.000 2.178 396 D HA 0.031 4.673 4.640 0.003 0.000 0.202 396 D C 0.903 177.249 176.300 0.078 0.000 0.974 396 D CA 1.308 55.359 54.000 0.086 0.000 0.841 396 D CB -0.063 40.785 40.800 0.080 0.000 0.953 396 D HN 0.383 nan 8.370 nan 0.000 0.478 397 D N 0.678 121.128 120.400 0.084 0.000 2.558 397 D HA 0.181 4.823 4.640 0.003 0.000 0.221 397 D C -0.105 176.224 176.300 0.049 0.000 1.143 397 D CA 0.064 54.102 54.000 0.064 0.000 1.010 397 D CB 0.014 40.855 40.800 0.069 0.000 1.068 397 D HN 0.008 nan 8.370 nan 0.000 0.511 398 S N -1.155 114.550 115.700 0.008 0.000 2.587 398 S HA 0.583 5.055 4.470 0.003 0.000 0.269 398 S C -0.948 173.587 174.600 -0.109 0.000 1.154 398 S CA -0.925 57.230 58.200 -0.074 0.000 0.824 398 S CB 1.635 64.797 63.200 -0.064 0.000 1.118 398 S HN -0.079 nan 8.310 nan 0.000 0.462 399 V N 1.849 121.644 119.914 -0.198 0.000 2.448 399 V HA 0.514 4.636 4.120 0.003 0.000 0.295 399 V C -0.686 175.292 176.094 -0.193 0.000 1.025 399 V CA -0.657 61.564 62.300 -0.133 0.000 0.859 399 V CB 1.188 32.930 31.823 -0.136 0.000 0.988 399 V HN 0.821 nan 8.190 nan 0.000 0.431 400 L N 5.140 126.304 121.223 -0.098 0.000 2.287 400 L HA 0.581 4.922 4.340 0.003 0.000 0.287 400 L C -0.191 176.553 176.870 -0.210 0.000 1.022 400 L CA -0.349 54.380 54.840 -0.185 0.000 0.814 400 L CB 1.341 43.432 42.059 0.054 0.000 1.217 400 L HN 0.625 nan 8.230 nan 0.000 0.420 401 Q N 3.582 123.093 119.800 -0.482 0.000 2.316 401 Q HA 0.538 4.880 4.340 0.003 0.000 0.264 401 Q C -1.505 174.112 176.000 -0.638 0.000 0.987 401 Q CA -0.481 55.110 55.803 -0.353 0.000 0.852 401 Q CB 2.551 31.155 28.738 -0.222 0.000 1.287 401 Q HN 0.405 nan 8.270 nan 0.000 0.448 402 F N 0.866 120.784 119.950 -0.053 0.000 2.532 402 F HA 0.362 4.891 4.527 0.003 0.000 0.365 402 F C 0.838 176.614 175.800 -0.040 0.000 1.112 402 F CA -0.644 57.323 58.000 -0.054 0.000 1.082 402 F CB 1.355 40.325 39.000 -0.050 0.000 1.319 402 F HN 0.743 nan 8.300 nan 0.000 0.457 403 G N 1.561 110.394 108.800 0.054 0.000 2.655 403 G HA2 0.083 4.045 3.960 0.003 0.000 0.217 403 G HA3 0.083 4.045 3.960 0.003 0.000 0.217 403 G C 1.772 176.719 174.900 0.079 0.000 1.279 403 G CA 0.568 45.698 45.100 0.049 0.000 0.870 403 G HN 0.744 nan 8.290 nan 0.000 0.560 404 G N 0.709 109.548 108.800 0.065 0.000 2.469 404 G HA2 0.013 3.975 3.960 0.003 0.000 0.220 404 G HA3 0.013 3.975 3.960 0.003 0.000 0.220 404 G C 1.677 176.631 174.900 0.090 0.000 1.136 404 G CA 1.438 46.596 45.100 0.095 0.000 0.759 404 G HN 0.719 nan 8.290 nan 0.000 0.562 405 G N -0.890 107.911 108.800 0.001 0.000 2.679 405 G HA2 0.136 4.098 3.960 0.003 0.000 0.212 405 G HA3 0.136 4.098 3.960 0.003 0.000 0.212 405 G C 1.488 176.459 174.900 0.118 0.000 1.137 405 G CA 1.564 46.569 45.100 -0.158 0.000 0.787 405 G HN 0.422 nan 8.290 nan 0.000 0.534 406 T N 0.264 114.934 114.554 0.192 0.000 3.114 406 T HA 0.095 4.447 4.350 0.003 0.000 0.240 406 T C 1.903 176.727 174.700 0.206 0.000 0.983 406 T CA -0.068 62.141 62.100 0.182 0.000 1.151 406 T CB -0.033 68.899 68.868 0.107 0.000 0.974 406 T HN 0.039 nan 8.240 nan 0.000 0.442 407 L N 1.635 122.956 121.223 0.163 0.000 2.551 407 L HA 0.270 4.612 4.340 0.003 0.000 0.228 407 L C 2.198 179.187 176.870 0.198 0.000 1.153 407 L CA 0.846 55.770 54.840 0.140 0.000 0.851 407 L CB -0.435 41.674 42.059 0.083 0.000 0.959 407 L HN 0.369 nan 8.230 nan 0.000 0.451 408 G N -3.084 105.906 108.800 0.316 0.000 3.088 408 G HA2 -0.070 3.892 3.960 0.003 0.000 0.217 408 G HA3 -0.070 3.892 3.960 0.003 0.000 0.217 408 G C 0.561 175.660 174.900 0.331 0.000 1.159 408 G CA -0.290 45.039 45.100 0.382 0.000 0.760 408 G HN 0.295 nan 8.290 nan 0.000 0.550 409 H N 1.896 121.100 119.070 0.222 0.000 2.815 409 H HA 0.080 4.638 4.556 0.003 0.000 0.350 409 H C -1.151 174.114 175.328 -0.105 0.000 1.080 409 H CA -1.004 55.021 56.048 -0.039 0.000 1.433 409 H CB 2.060 31.819 29.762 -0.005 0.000 1.432 409 H HN 0.004 nan 8.280 nan 0.000 0.592 410 P HA -0.118 nan 4.420 nan 0.000 0.225 410 P C 0.606 178.094 177.300 0.313 0.000 1.148 410 P CA 1.018 64.056 63.100 -0.103 0.000 0.779 410 P CB 0.109 31.637 31.700 -0.288 0.000 0.780 411 W N 0.287 121.762 121.300 0.293 0.000 3.127 411 W HA 0.506 5.168 4.660 0.004 0.000 0.344 411 W C 1.076 177.650 176.519 0.091 0.000 1.151 411 W CA 0.408 57.856 57.345 0.173 0.000 1.765 411 W CB -0.524 29.033 29.460 0.163 0.000 1.085 411 W HN 0.039 nan 8.180 nan 0.000 0.596 412 G N 0.978 109.964 108.800 0.310 0.000 2.566 412 G HA2 -0.282 3.680 3.960 0.003 0.000 0.599 412 G HA3 -0.282 3.680 3.960 0.003 0.000 0.599 412 G C 0.619 175.562 174.900 0.071 0.000 1.292 412 G CA -0.179 45.013 45.100 0.152 0.000 0.922 412 G HN -0.041 nan 8.290 nan 0.000 0.514 413 N N -0.013 118.704 118.700 0.027 0.000 2.142 413 N HA 0.044 4.786 4.740 0.003 0.000 0.186 413 N C 2.688 178.152 175.510 -0.076 0.000 1.023 413 N CA 2.494 55.534 53.050 -0.016 0.000 0.852 413 N CB -0.633 37.835 38.487 -0.031 0.000 0.998 413 N HN 1.065 nan 8.380 nan 0.000 0.424 414 A N 1.338 124.102 122.820 -0.093 0.000 1.873 414 A HA -0.011 4.311 4.320 0.003 0.000 0.215 414 A C -0.187 177.319 177.584 -0.131 0.000 1.186 414 A CA 1.221 53.185 52.037 -0.120 0.000 0.616 414 A CB -1.445 17.482 19.000 -0.122 0.000 0.823 414 A HN 0.211 nan 8.150 nan 0.000 0.442 415 P HA -0.058 nan 4.420 nan 0.000 0.217 415 P C 1.700 178.644 177.300 -0.594 0.000 1.150 415 P CA 1.629 64.565 63.100 -0.273 0.000 0.832 415 P CB -0.283 31.336 31.700 -0.135 0.000 0.787 416 G N 0.097 108.566 108.800 -0.553 0.000 2.422 416 G HA2 -0.230 3.732 3.960 0.003 0.000 0.218 416 G HA3 -0.230 3.732 3.960 0.003 0.000 0.218 416 G C 1.618 176.427 174.900 -0.153 0.000 1.146 416 G CA 0.875 45.787 45.100 -0.314 0.000 0.769 416 G HN 0.301 nan 8.290 nan 0.000 0.547 417 A N 1.111 123.851 122.820 -0.133 0.000 1.898 417 A HA 0.346 4.668 4.320 0.003 0.000 0.216 417 A C 2.792 180.303 177.584 -0.122 0.000 1.181 417 A CA 2.054 54.029 52.037 -0.103 0.000 0.620 417 A CB -0.698 18.250 19.000 -0.086 0.000 0.819 417 A HN 0.714 nan 8.150 nan 0.000 0.442 418 A N -0.068 122.673 122.820 -0.132 0.000 1.930 418 A HA 0.186 4.508 4.320 0.003 0.000 0.217 418 A C 2.482 179.991 177.584 -0.127 0.000 1.175 418 A CA 1.946 53.922 52.037 -0.101 0.000 0.627 418 A CB -0.960 17.995 19.000 -0.075 0.000 0.815 418 A HN 1.011 nan 8.150 nan 0.000 0.443 419 A N 0.440 123.156 122.820 -0.174 0.000 1.908 419 A HA -0.216 4.106 4.320 0.003 0.000 0.218 419 A C 1.962 179.423 177.584 -0.205 0.000 1.181 419 A CA 1.794 53.725 52.037 -0.177 0.000 0.627 419 A CB -0.621 18.315 19.000 -0.107 0.000 0.818 419 A HN 0.562 nan 8.150 nan 0.000 0.445 420 N N -0.688 117.871 118.700 -0.234 0.000 2.188 420 N HA -0.143 4.599 4.740 0.003 0.000 0.184 420 N C 1.886 177.259 175.510 -0.228 0.000 1.018 420 N CA 1.496 54.328 53.050 -0.363 0.000 0.858 420 N CB -0.367 37.804 38.487 -0.528 0.000 0.989 420 N HN 0.473 nan 8.380 nan 0.000 0.426 421 R N 1.267 121.682 120.500 -0.141 0.000 2.092 421 R HA 0.034 4.376 4.340 0.003 0.000 0.231 421 R C 1.950 178.226 176.300 -0.039 0.000 1.119 421 R CA 0.872 56.929 56.100 -0.071 0.000 0.970 421 R CB -0.717 29.554 30.300 -0.049 0.000 0.864 421 R HN -0.031 nan 8.270 nan 0.000 0.440 422 V N 0.693 120.576 119.914 -0.052 0.000 2.358 422 V HA -0.159 3.963 4.120 0.003 0.000 0.246 422 V C 2.321 178.380 176.094 -0.058 0.000 1.047 422 V CA 1.838 64.132 62.300 -0.009 0.000 1.035 422 V CB -0.845 30.913 31.823 -0.108 0.000 0.658 422 V HN 0.531 nan 8.190 nan 0.000 0.452 423 A N -0.156 122.577 122.820 -0.145 0.000 1.883 423 A HA -0.233 4.089 4.320 0.003 0.000 0.217 423 A C 2.173 179.720 177.584 -0.060 0.000 1.186 423 A CA 2.261 54.209 52.037 -0.148 0.000 0.624 423 A CB -0.645 18.227 19.000 -0.213 0.000 0.822 423 A HN 0.454 nan 8.150 nan 0.000 0.444 424 L N 0.077 121.270 121.223 -0.051 0.000 2.017 424 L HA -0.151 4.191 4.340 0.003 0.000 0.208 424 L C 2.199 179.090 176.870 0.034 0.000 1.073 424 L CA 2.433 57.276 54.840 0.006 0.000 0.745 424 L CB -0.626 41.441 42.059 0.013 0.000 0.894 424 L HN 0.519 nan 8.230 nan 0.000 0.432 425 E N -0.615 119.610 120.200 0.042 0.000 2.204 425 E HA -0.157 4.195 4.350 0.003 0.000 0.194 425 E C 2.116 178.772 176.600 0.093 0.000 0.989 425 E CA 0.875 57.316 56.400 0.069 0.000 0.824 425 E CB -0.205 29.543 29.700 0.081 0.000 0.756 425 E HN 0.661 nan 8.360 nan 0.000 0.477 426 A N 0.770 123.655 122.820 0.109 0.000 1.930 426 A HA -0.164 4.158 4.320 0.003 0.000 0.217 426 A C 2.401 180.035 177.584 0.083 0.000 1.175 426 A CA 0.947 53.062 52.037 0.130 0.000 0.627 426 A CB -0.710 18.360 19.000 0.116 0.000 0.815 426 A HN 0.324 nan 8.150 nan 0.000 0.443 427 C N -1.356 117.979 119.300 0.059 0.000 2.429 427 C HA -0.051 4.411 4.460 0.003 0.000 0.277 427 C C 2.737 177.765 174.990 0.063 0.000 1.262 427 C CA 1.018 60.072 59.018 0.060 0.000 1.733 427 C CB -1.197 26.581 27.740 0.062 0.000 2.010 427 C HN 0.453 nan 8.230 nan 0.000 0.483 428 V N 0.590 120.541 119.914 0.062 0.000 2.295 428 V HA -0.291 3.831 4.120 0.003 0.000 0.246 428 V C 2.530 178.656 176.094 0.054 0.000 1.049 428 V CA 2.282 64.617 62.300 0.058 0.000 1.024 428 V CB -0.875 30.982 31.823 0.056 0.000 0.648 428 V HN 0.636 nan 8.190 nan 0.000 0.447 429 Q N -0.159 119.675 119.800 0.056 0.000 2.061 429 Q HA -0.233 4.109 4.340 0.003 0.000 0.204 429 Q C 2.243 178.272 176.000 0.048 0.000 0.984 429 Q CA 2.154 57.987 55.803 0.049 0.000 0.846 429 Q CB -0.292 28.477 28.738 0.053 0.000 0.902 429 Q HN 0.629 nan 8.270 nan 0.000 0.421 430 A N 1.319 124.173 122.820 0.057 0.000 1.902 430 A HA -0.217 4.105 4.320 0.003 0.000 0.217 430 A C 2.153 179.764 177.584 0.046 0.000 1.181 430 A CA 1.522 53.590 52.037 0.053 0.000 0.623 430 A CB -0.741 18.295 19.000 0.059 0.000 0.818 430 A HN 0.442 nan 8.150 nan 0.000 0.443 431 R N -0.248 120.281 120.500 0.048 0.000 2.083 431 R HA -0.190 4.152 4.340 0.003 0.000 0.237 431 R C 1.659 177.981 176.300 0.037 0.000 1.137 431 R CA 1.938 58.064 56.100 0.044 0.000 0.951 431 R CB -0.404 29.925 30.300 0.048 0.000 0.851 431 R HN 0.508 nan 8.270 nan 0.000 0.434 432 N N 0.987 119.709 118.700 0.037 0.000 2.223 432 N HA -0.143 4.599 4.740 0.003 0.000 0.185 432 N C 1.164 176.690 175.510 0.027 0.000 1.016 432 N CA 1.333 54.402 53.050 0.032 0.000 0.863 432 N CB -0.127 38.379 38.487 0.031 0.000 0.983 432 N HN 0.437 nan 8.380 nan 0.000 0.429 433 E N -0.766 119.451 120.200 0.028 0.000 2.482 433 E HA 0.093 4.445 4.350 0.003 0.000 0.196 433 E C 0.710 177.325 176.600 0.024 0.000 1.047 433 E CA 0.434 56.849 56.400 0.024 0.000 0.869 433 E CB 0.110 29.826 29.700 0.025 0.000 0.836 433 E HN 0.451 nan 8.360 nan 0.000 0.520 434 G N 1.702 110.518 108.800 0.026 0.000 2.184 434 G HA2 -0.225 3.736 3.960 0.003 0.000 0.206 434 G HA3 -0.225 3.736 3.960 0.003 0.000 0.206 434 G C 0.133 175.049 174.900 0.026 0.000 0.995 434 G CA -0.458 44.657 45.100 0.024 0.000 0.651 434 G HN 0.083 nan 8.290 nan 0.000 0.511 435 R N 0.496 121.015 120.500 0.031 0.000 2.679 435 R HA 0.411 4.753 4.340 0.003 0.000 0.269 435 R C -0.675 175.646 176.300 0.034 0.000 1.076 435 R CA -0.230 55.891 56.100 0.034 0.000 1.160 435 R CB 0.597 30.922 30.300 0.040 0.000 1.054 435 R HN 0.169 nan 8.270 nan 0.000 0.507 436 D N 2.602 123.022 120.400 0.034 0.000 2.396 436 D HA 0.072 4.714 4.640 0.003 0.000 0.225 436 D C 1.000 177.324 176.300 0.040 0.000 1.121 436 D CA -0.213 53.807 54.000 0.032 0.000 0.853 436 D CB 0.867 41.683 40.800 0.027 0.000 1.043 436 D HN 0.434 nan 8.370 nan 0.000 0.500 437 L N 3.106 124.355 121.223 0.043 0.000 2.131 437 L HA -0.139 4.203 4.340 0.003 0.000 0.210 437 L C 2.398 179.302 176.870 0.056 0.000 1.092 437 L CA 1.193 56.066 54.840 0.055 0.000 0.759 437 L CB -0.319 41.775 42.059 0.058 0.000 0.903 437 L HN 0.437 nan 8.230 nan 0.000 0.435 438 A N 0.162 123.007 122.820 0.043 0.000 1.969 438 A HA -0.150 4.172 4.320 0.003 0.000 0.218 438 A C 2.364 179.973 177.584 0.041 0.000 1.169 438 A CA 1.379 53.439 52.037 0.039 0.000 0.635 438 A CB -0.271 18.742 19.000 0.023 0.000 0.810 438 A HN 0.384 nan 8.150 nan 0.000 0.445 439 R N -1.167 119.356 120.500 0.038 0.000 2.225 439 R HA 0.136 4.478 4.340 0.003 0.000 0.194 439 R C 0.958 177.284 176.300 0.045 0.000 0.957 439 R CA 0.790 56.911 56.100 0.036 0.000 1.042 439 R CB 0.177 30.494 30.300 0.028 0.000 1.004 439 R HN 0.525 nan 8.270 nan 0.000 0.509 440 E N -0.050 120.181 120.200 0.052 0.000 2.501 440 E HA 0.106 4.458 4.350 0.003 0.000 0.201 440 E C 1.402 178.049 176.600 0.078 0.000 1.016 440 E CA -0.032 56.403 56.400 0.059 0.000 0.920 440 E CB 0.989 30.720 29.700 0.052 0.000 1.023 440 E HN 0.348 nan 8.360 nan 0.000 0.474 441 G N 1.996 110.849 108.800 0.088 0.000 2.440 441 G HA2 -0.327 3.635 3.960 0.003 0.000 0.218 441 G HA3 -0.327 3.635 3.960 0.003 0.000 0.218 441 G C 1.332 176.327 174.900 0.158 0.000 1.154 441 G CA 0.991 46.159 45.100 0.114 0.000 0.767 441 G HN 0.222 nan 8.290 nan 0.000 0.552 442 N N 0.330 119.143 118.700 0.187 0.000 2.120 442 N HA -0.086 4.656 4.740 0.003 0.000 0.188 442 N C 2.159 177.810 175.510 0.235 0.000 1.024 442 N CA 1.160 54.386 53.050 0.294 0.000 0.852 442 N CB -0.117 38.482 38.487 0.186 0.000 1.003 442 N HN 0.474 nan 8.380 nan 0.000 0.424 443 E N 0.706 120.989 120.200 0.139 0.000 2.106 443 E HA -0.126 4.226 4.350 0.003 0.000 0.192 443 E C 1.862 178.511 176.600 0.082 0.000 0.984 443 E CA 0.718 57.180 56.400 0.102 0.000 0.806 443 E CB -0.017 29.728 29.700 0.074 0.000 0.750 443 E HN 0.411 nan 8.360 nan 0.000 0.458 444 I N 0.925 121.542 120.570 0.078 0.000 2.252 444 I HA -0.242 3.929 4.170 0.003 0.000 0.245 444 I C 2.130 178.253 176.117 0.010 0.000 1.102 444 I CA 0.629 61.963 61.300 0.056 0.000 1.385 444 I CB -0.094 37.943 38.000 0.061 0.000 1.064 444 I HN 0.144 nan 8.210 nan 0.000 0.414 445 I N 0.654 121.219 120.570 -0.008 0.000 2.252 445 I HA -0.218 3.953 4.170 0.003 0.000 0.245 445 I C 2.603 178.606 176.117 -0.190 0.000 1.102 445 I CA 1.553 62.756 61.300 -0.162 0.000 1.385 445 I CB -1.152 36.680 38.000 -0.279 0.000 1.064 445 I HN 0.242 nan 8.210 nan 0.000 0.414 446 R N 0.173 120.651 120.500 -0.038 0.000 2.120 446 R HA -0.089 4.253 4.340 0.003 0.000 0.234 446 R C 2.431 178.702 176.300 -0.049 0.000 1.123 446 R CA 1.448 57.539 56.100 -0.015 0.000 0.975 446 R CB -0.244 30.117 30.300 0.102 0.000 0.866 446 R HN 0.263 nan 8.270 nan 0.000 0.446 447 S N 0.658 116.348 115.700 -0.016 0.000 2.383 447 S HA -0.087 4.385 4.470 0.003 0.000 0.227 447 S C 1.989 176.553 174.600 -0.061 0.000 1.026 447 S CA 1.138 59.347 58.200 0.015 0.000 0.981 447 S CB -0.000 63.248 63.200 0.080 0.000 0.818 447 S HN 0.462 nan 8.310 nan 0.000 0.472 448 A N 0.207 122.915 122.820 -0.185 0.000 2.014 448 A HA -0.068 4.254 4.320 0.003 0.000 0.218 448 A C 2.198 179.258 177.584 -0.873 0.000 1.163 448 A CA 0.911 52.596 52.037 -0.587 0.000 0.652 448 A CB -1.035 17.694 19.000 -0.450 0.000 0.808 448 A HN 0.606 nan 8.150 nan 0.000 0.449 449 C N -0.172 118.840 119.300 -0.481 0.000 2.419 449 C HA -0.055 4.407 4.460 0.003 0.000 0.283 449 C C 2.476 177.290 174.990 -0.293 0.000 1.373 449 C CA 1.078 59.862 59.018 -0.390 0.000 1.781 449 C CB -1.128 26.463 27.740 -0.250 0.000 1.886 449 C HN 0.589 nan 8.230 nan 0.000 0.520 450 K N 0.399 120.663 120.400 -0.226 0.000 2.283 450 K HA -0.104 4.218 4.320 0.003 0.000 0.202 450 K C 1.622 178.249 176.600 0.046 0.000 1.048 450 K CA 1.267 57.530 56.287 -0.040 0.000 0.948 450 K CB -0.092 32.451 32.500 0.072 0.000 0.742 450 K HN 0.845 nan 8.250 nan 0.000 0.458 451 W N -1.155 120.142 121.300 -0.004 0.000 2.714 451 W HA 0.355 5.017 4.660 0.003 0.000 0.353 451 W C -0.152 176.370 176.519 0.004 0.000 0.999 451 W CA -0.451 56.895 57.345 0.002 0.000 1.629 451 W CB 0.015 29.474 29.460 -0.001 0.000 1.106 451 W HN -0.205 nan 8.180 nan 0.000 0.545 452 S N 2.660 118.119 115.700 -0.402 0.000 2.667 452 S HA 0.413 4.884 4.470 0.003 0.000 0.304 452 S C -1.692 172.802 174.600 -0.176 0.000 1.135 452 S CA -1.195 56.825 58.200 -0.300 0.000 1.125 452 S CB 1.457 64.249 63.200 -0.679 0.000 0.996 452 S HN -0.300 nan 8.310 nan 0.000 0.474 453 P HA -0.041 nan 4.420 nan 0.000 0.218 453 P C 0.903 178.166 177.300 -0.061 0.000 1.149 453 P CA 0.927 64.082 63.100 0.091 0.000 0.817 453 P CB 0.255 32.146 31.700 0.318 0.000 0.785 454 E N -0.598 119.587 120.200 -0.024 0.000 2.051 454 E HA -0.161 4.191 4.350 0.003 0.000 0.192 454 E C 1.832 178.309 176.600 -0.206 0.000 0.991 454 E CA 0.847 57.138 56.400 -0.182 0.000 0.799 454 E CB -1.248 28.404 29.700 -0.080 0.000 0.748 454 E HN 0.112 nan 8.360 nan 0.000 0.449 455 L N 0.436 121.513 121.223 -0.244 0.000 2.056 455 L HA -0.030 4.312 4.340 0.003 0.000 0.207 455 L C 2.030 178.697 176.870 -0.337 0.000 1.078 455 L CA 1.994 56.656 54.840 -0.297 0.000 0.749 455 L CB -0.854 40.971 42.059 -0.391 0.000 0.901 455 L HN 0.111 nan 8.230 nan 0.000 0.433 456 A N -0.351 122.281 122.820 -0.314 0.000 1.908 456 A HA -0.128 4.194 4.320 0.003 0.000 0.218 456 A C 2.463 179.854 177.584 -0.323 0.000 1.181 456 A CA 1.878 53.751 52.037 -0.273 0.000 0.627 456 A CB -1.171 17.723 19.000 -0.176 0.000 0.818 456 A HN 0.584 nan 8.150 nan 0.000 0.445 457 A N -0.221 122.313 122.820 -0.477 0.000 1.902 457 A HA 0.169 4.491 4.320 0.003 0.000 0.217 457 A C 2.498 179.637 177.584 -0.742 0.000 1.181 457 A CA 2.065 53.686 52.037 -0.694 0.000 0.623 457 A CB -0.969 17.241 19.000 -1.317 0.000 0.818 457 A HN 1.051 nan 8.150 nan 0.000 0.443 458 A N -1.066 121.368 122.820 -0.643 0.000 1.898 458 A HA -0.151 4.171 4.320 0.003 0.000 0.216 458 A C 2.282 179.672 177.584 -0.322 0.000 1.181 458 A CA 1.613 53.334 52.037 -0.527 0.000 0.620 458 A CB -1.252 17.713 19.000 -0.060 0.000 0.819 458 A HN 0.590 nan 8.150 nan 0.000 0.442 459 C N -1.028 118.092 119.300 -0.299 0.000 2.425 459 C HA -0.058 4.404 4.460 0.003 0.000 0.277 459 C C 2.687 177.776 174.990 0.165 0.000 1.280 459 C CA 1.419 60.341 59.018 -0.160 0.000 1.744 459 C CB -0.963 26.532 27.740 -0.408 0.000 1.989 459 C HN 0.766 nan 8.230 nan 0.000 0.491 460 E N 1.024 121.170 120.200 -0.089 0.000 2.106 460 E HA -0.109 4.243 4.350 0.003 0.000 0.192 460 E C 1.918 178.403 176.600 -0.191 0.000 0.984 460 E CA 1.168 57.510 56.400 -0.097 0.000 0.806 460 E CB -0.209 29.391 29.700 -0.166 0.000 0.750 460 E HN 0.407 nan 8.360 nan 0.000 0.458 461 I N -0.421 119.896 120.570 -0.423 0.000 2.353 461 I HA -0.182 3.990 4.170 0.003 0.000 0.248 461 I C 1.195 177.009 176.117 -0.504 0.000 1.119 461 I CA 0.999 61.925 61.300 -0.623 0.000 1.417 461 I CB -0.805 36.461 38.000 -1.224 0.000 1.078 461 I HN 0.337 nan 8.210 nan 0.000 0.421 462 W N 1.893 123.114 121.300 -0.131 0.000 3.132 462 W HA 0.149 4.811 4.660 0.003 0.000 0.364 462 W C 1.965 178.363 176.519 -0.202 0.000 1.129 462 W CA -0.360 56.823 57.345 -0.271 0.000 1.815 462 W CB -0.418 28.649 29.460 -0.656 0.000 1.099 462 W HN 0.291 nan 8.180 nan 0.000 0.605 463 K N 0.745 121.215 120.400 0.117 0.000 2.152 463 K HA -0.057 4.265 4.320 0.003 0.000 0.206 463 K C 1.565 178.002 176.600 -0.271 0.000 1.048 463 K CA 1.834 57.986 56.287 -0.224 0.000 0.933 463 K CB -0.353 32.052 32.500 -0.160 0.000 0.721 463 K HN -0.071 nan 8.250 nan 0.000 0.447 464 A N 1.369 124.106 122.820 -0.137 0.000 2.379 464 A HA 0.240 4.562 4.320 0.003 0.000 0.236 464 A C 0.200 177.727 177.584 -0.095 0.000 1.272 464 A CA -0.414 51.544 52.037 -0.131 0.000 0.886 464 A CB 0.074 19.012 19.000 -0.103 0.000 0.962 464 A HN 0.177 nan 8.150 nan 0.000 0.504 465 I N 0.995 121.537 120.570 -0.045 0.000 2.304 465 I HA 0.376 4.548 4.170 0.003 0.000 0.291 465 I C -0.093 176.030 176.117 0.011 0.000 1.018 465 I CA 0.132 61.413 61.300 -0.033 0.000 1.260 465 I CB 0.453 38.489 38.000 0.060 0.000 1.390 465 I HN 0.154 nan 8.210 nan 0.000 0.475 466 K N 5.465 125.753 120.400 -0.187 0.000 2.508 466 K HA 0.562 4.884 4.320 0.003 0.000 0.260 466 K C -1.520 174.888 176.600 -0.320 0.000 0.949 466 K CA -0.634 55.602 56.287 -0.086 0.000 0.834 466 K CB 2.755 35.238 32.500 -0.028 0.000 1.365 466 K HN 0.151 nan 8.250 nan 0.000 0.437 467 F N 1.857 121.882 119.950 0.126 0.000 2.359 467 F HA 0.266 4.795 4.527 0.003 0.000 0.369 467 F C -0.236 175.589 175.800 0.041 0.000 1.084 467 F CA -0.506 57.566 58.000 0.120 0.000 1.096 467 F CB 1.329 40.440 39.000 0.185 0.000 1.335 467 F HN 0.269 nan 8.300 nan 0.000 0.457 468 E N 4.185 124.338 120.200 -0.079 0.000 2.207 468 E HA 0.475 4.827 4.350 0.003 0.000 0.250 468 E C -1.293 175.076 176.600 -0.385 0.000 0.890 468 E CA -0.450 55.874 56.400 -0.127 0.000 0.749 468 E CB 1.547 31.163 29.700 -0.141 0.000 1.193 468 E HN 0.293 nan 8.360 nan 0.000 0.423 469 F N 0.603 120.607 119.950 0.089 0.000 2.588 469 F HA 0.249 4.777 4.527 0.002 0.000 0.310 469 F C 0.482 176.315 175.800 0.055 0.000 1.082 469 F CA -1.001 57.041 58.000 0.070 0.000 0.929 469 F CB 1.688 40.736 39.000 0.080 0.000 1.254 469 F HN 0.178 nan 8.300 nan 0.000 0.455 470 E N 3.964 124.315 120.200 0.250 0.000 2.344 470 E HA 0.168 4.520 4.350 0.003 0.000 0.270 470 E C -2.162 174.523 176.600 0.143 0.000 1.021 470 E CA -1.566 54.925 56.400 0.151 0.000 0.887 470 E CB 0.383 30.151 29.700 0.115 0.000 0.997 470 E HN 0.176 nan 8.360 nan 0.000 0.429 471 P HA -0.004 nan 4.420 nan 0.000 0.274 471 P C 0.520 177.867 177.300 0.079 0.000 1.231 471 P CA -0.148 63.009 63.100 0.095 0.000 0.790 471 P CB 1.119 32.875 31.700 0.092 0.000 0.951 472 V N 0.197 120.149 119.914 0.064 0.000 2.591 472 V HA -0.071 4.051 4.120 0.003 0.000 0.249 472 V C 0.867 177.003 176.094 0.070 0.000 1.053 472 V CA 1.669 64.002 62.300 0.055 0.000 1.068 472 V CB -0.817 31.026 31.823 0.033 0.000 0.689 472 V HN 0.604 nan 8.190 nan 0.000 0.462 473 D N 0.648 121.101 120.400 0.087 0.000 2.303 473 D HA 0.376 5.018 4.640 0.003 0.000 0.236 473 D C -0.445 175.930 176.300 0.125 0.000 1.068 473 D CA -0.292 53.779 54.000 0.118 0.000 0.830 473 D CB 0.806 41.693 40.800 0.146 0.000 1.109 473 D HN 0.249 nan 8.370 nan 0.000 0.496 474 K N 2.864 123.331 120.400 0.111 0.000 2.385 474 K HA 0.481 4.803 4.320 0.003 0.000 0.248 474 K C -0.103 176.552 176.600 0.091 0.000 0.955 474 K CA -0.957 55.386 56.287 0.093 0.000 0.816 474 K CB 2.159 34.699 32.500 0.066 0.000 1.250 474 K HN 0.298 nan 8.250 nan 0.000 0.434 475 L N 0.000 121.265 121.223 0.070 0.000 2.949 475 L HA 0.000 4.342 4.340 0.003 0.000 0.249 475 L CA 0.000 54.869 54.840 0.049 0.000 0.813 475 L CB 0.000 42.066 42.059 0.012 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502