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 2gp5_1_A DATA FIRST_RESID 2 DATA SEQUENCE ASESETLNPS ARIMTFYPTM EEFRNFSRYI AYIESQGAHR AGLAKVVPPK DATA SEQUENCE EWKPRASYDD IDDLVIPAPI QQLVTGQSGL FTQYNIQKKA MTVREFRKIA DATA SEQUENCE NSDKYCTPRY SEFEELERKY WKNLTFNPPI YGADVNGTLY EKHVDEWNIG DATA SEQUENCE RLRTILDLVE KESGITIEGV NTPYLYFGMW KTSFAWHTED MDLYSINYLH DATA SEQUENCE FGEPKSWYSV PPEHGKRLER LAKGFFPGSA QSCEAFLRHK MTLISPLMLK DATA SEQUENCE KYGIPFDKVT QEAGEFMITF PYGYHAGFNH GFNCAESTNF ATRRWIEYGK DATA SEQUENCE QAVLCSCRKD MVKISMDVFV RKFQPERYKL WKAGKDNTVI DHTLPTP 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.586 177.584 0.004 0.000 1.274 2 A CA 0.000 52.039 52.037 0.004 0.000 0.836 2 A CB 0.000 19.002 19.000 0.002 0.000 0.831 3 S N 1.334 117.036 115.700 0.004 0.000 3.407 3 S HA -0.159 4.314 4.470 0.006 0.000 0.394 3 S C 0.565 175.169 174.600 0.007 0.000 0.801 3 S CA 1.071 59.273 58.200 0.004 0.000 1.347 3 S CB -0.905 62.296 63.200 0.002 0.000 1.257 3 S HN 1.082 nan 8.310 nan 0.000 0.618 4 E N 2.275 122.480 120.200 0.009 0.000 2.352 4 E HA -0.262 4.091 4.350 0.006 0.000 0.203 4 E C 2.306 178.914 176.600 0.014 0.000 1.024 4 E CA 1.364 57.771 56.400 0.012 0.000 0.842 4 E CB -0.782 28.927 29.700 0.014 0.000 0.753 4 E HN 1.141 nan 8.360 nan 0.000 0.508 5 S N 2.160 117.870 115.700 0.016 0.000 2.412 5 S HA -0.289 4.185 4.470 0.006 0.000 0.246 5 S C 1.364 175.965 174.600 0.002 0.000 1.073 5 S CA 1.832 60.044 58.200 0.020 0.000 1.186 5 S CB -0.773 62.435 63.200 0.013 0.000 1.084 5 S HN 0.335 nan 8.310 nan 0.000 0.434 6 E N 2.147 122.344 120.200 -0.005 0.000 3.265 6 E HA 0.142 4.495 4.350 0.006 0.000 0.262 6 E C 0.846 177.436 176.600 -0.016 0.000 1.480 6 E CA 0.705 57.097 56.400 -0.015 0.000 1.548 6 E CB -1.551 28.144 29.700 -0.008 0.000 1.330 6 E HN 0.587 nan 8.360 nan 0.000 0.431 7 T N 0.175 114.717 114.554 -0.019 0.000 2.770 7 T HA -0.059 4.294 4.350 0.006 0.000 0.263 7 T C 0.888 175.569 174.700 -0.031 0.000 1.039 7 T CA 0.438 62.528 62.100 -0.017 0.000 1.142 7 T CB -0.022 68.840 68.868 -0.009 0.000 0.868 7 T HN 0.378 nan 8.240 nan 0.000 0.435 8 L N 3.123 124.310 121.223 -0.059 0.000 2.423 8 L HA 0.251 4.594 4.340 0.006 0.000 0.249 8 L C -0.783 176.054 176.870 -0.055 0.000 1.276 8 L CA -0.462 54.337 54.840 -0.067 0.000 1.199 8 L CB -0.731 41.260 42.059 -0.113 0.000 1.407 8 L HN 0.139 nan 8.230 nan 0.000 0.410 9 N N 3.862 122.541 118.700 -0.035 0.000 2.220 9 N HA -0.184 4.559 4.740 0.006 0.000 0.294 9 N C -2.025 173.470 175.510 -0.024 0.000 1.243 9 N CA 0.021 53.056 53.050 -0.024 0.000 0.936 9 N CB -0.386 38.090 38.487 -0.018 0.000 1.228 9 N HN 0.361 nan 8.380 nan 0.000 0.527 10 P HA -0.287 nan 4.420 nan 0.000 0.049 10 P C 0.104 177.405 177.300 0.001 0.000 1.072 10 P CA 1.411 64.504 63.100 -0.012 0.000 1.019 10 P CB -0.720 30.981 31.700 0.001 0.000 1.867 11 S N -2.544 113.149 115.700 -0.013 0.000 2.535 11 S HA 0.363 4.836 4.470 0.006 0.000 0.214 11 S C 1.232 175.828 174.600 -0.007 0.000 0.980 11 S CA 0.230 58.426 58.200 -0.008 0.000 0.907 11 S CB -0.239 62.949 63.200 -0.019 0.000 0.790 11 S HN 0.319 nan 8.310 nan 0.000 0.510 12 A N 1.440 124.245 122.820 -0.025 0.000 2.500 12 A HA -0.262 4.061 4.320 0.006 0.000 0.296 12 A C 0.564 178.137 177.584 -0.019 0.000 1.469 12 A CA 1.168 53.180 52.037 -0.041 0.000 0.793 12 A CB -2.001 16.996 19.000 -0.005 0.000 1.042 12 A HN 0.753 nan 8.150 nan 0.000 0.409 13 R N -0.474 120.008 120.500 -0.029 0.000 2.490 13 R HA 0.566 4.910 4.340 0.006 0.000 0.278 13 R C 0.261 176.553 176.300 -0.014 0.000 1.069 13 R CA -0.697 55.393 56.100 -0.017 0.000 1.080 13 R CB 0.333 30.616 30.300 -0.028 0.000 1.030 13 R HN 0.494 nan 8.270 nan 0.000 0.491 14 I N 5.329 125.904 120.570 0.009 0.000 2.587 14 I HA 0.011 4.185 4.170 0.006 0.000 0.284 14 I C 0.381 176.489 176.117 -0.015 0.000 1.134 14 I CA 0.638 61.949 61.300 0.018 0.000 1.410 14 I CB 0.682 38.699 38.000 0.028 0.000 1.392 14 I HN 0.507 nan 8.210 nan 0.000 0.545 15 M N 5.240 124.838 119.600 -0.003 0.000 2.528 15 M HA 0.427 4.911 4.480 0.006 0.000 0.318 15 M C -0.287 175.935 176.300 -0.130 0.000 1.195 15 M CA -0.378 54.852 55.300 -0.117 0.000 1.000 15 M CB 1.912 34.411 32.600 -0.169 0.000 1.615 15 M HN 0.432 nan 8.290 nan 0.000 0.469 16 T N 1.625 115.985 114.554 -0.324 0.000 2.848 16 T HA 0.698 5.051 4.350 0.006 0.000 0.285 16 T C -1.226 173.245 174.700 -0.382 0.000 0.995 16 T CA -0.452 61.531 62.100 -0.196 0.000 0.970 16 T CB 0.791 69.618 68.868 -0.067 0.000 0.976 16 T HN 0.278 nan 8.240 nan 0.000 0.441 17 F N 1.413 121.371 119.950 0.014 0.000 2.561 17 F HA 0.580 5.111 4.527 0.006 0.000 0.321 17 F C -0.679 175.088 175.800 -0.055 0.000 1.065 17 F CA -1.181 56.910 58.000 0.151 0.000 0.934 17 F CB 1.514 40.677 39.000 0.271 0.000 1.215 17 F HN 0.492 nan 8.300 nan 0.000 0.471 18 Y N 2.337 122.813 120.300 0.293 0.000 2.787 18 Y HA 0.334 4.888 4.550 0.006 0.000 0.352 18 Y C -2.273 173.677 175.900 0.082 0.000 1.027 18 Y CA -2.579 55.589 58.100 0.114 0.000 1.219 18 Y CB 0.004 38.493 38.460 0.048 0.000 1.110 18 Y HN 0.281 nan 8.280 nan 0.000 0.614 19 P HA 0.120 nan 4.420 nan 0.000 0.272 19 P C 0.002 177.206 177.300 -0.160 0.000 1.230 19 P CA -0.184 62.837 63.100 -0.131 0.000 0.788 19 P CB 1.456 32.758 31.700 -0.662 0.000 0.949 20 T N -1.331 113.150 114.554 -0.122 0.000 2.922 20 T HA 0.200 4.553 4.350 0.006 0.000 0.285 20 T C 1.271 175.911 174.700 -0.100 0.000 1.005 20 T CA -0.733 61.314 62.100 -0.089 0.000 1.061 20 T CB 0.656 69.498 68.868 -0.044 0.000 1.007 20 T HN 0.261 nan 8.240 nan 0.000 0.502 21 M N 0.795 120.353 119.600 -0.070 0.000 2.255 21 M HA -0.131 4.353 4.480 0.006 0.000 0.259 21 M C 1.963 178.284 176.300 0.036 0.000 1.071 21 M CA 1.589 56.891 55.300 0.003 0.000 1.074 21 M CB -0.942 31.680 32.600 0.036 0.000 1.384 21 M HN 0.781 nan 8.290 nan 0.000 0.415 22 E N 0.243 120.440 120.200 -0.004 0.000 2.017 22 E HA -0.198 4.155 4.350 0.006 0.000 0.193 22 E C 1.884 178.465 176.600 -0.031 0.000 0.997 22 E CA 1.930 58.325 56.400 -0.010 0.000 0.804 22 E CB -0.290 29.399 29.700 -0.018 0.000 0.757 22 E HN 0.718 nan 8.360 nan 0.000 0.448 23 E N -0.224 119.929 120.200 -0.077 0.000 2.208 23 E HA -0.134 4.219 4.350 0.006 0.000 0.193 23 E C 1.853 178.338 176.600 -0.192 0.000 0.988 23 E CA 0.369 56.694 56.400 -0.126 0.000 0.828 23 E CB -0.249 29.341 29.700 -0.183 0.000 0.763 23 E HN 0.131 nan 8.360 nan 0.000 0.478 24 F N 2.006 121.721 119.950 -0.393 0.000 2.502 24 F HA 0.014 4.544 4.527 0.006 0.000 0.298 24 F C 2.193 177.913 175.800 -0.132 0.000 1.111 24 F CA 0.780 58.514 58.000 -0.443 0.000 1.445 24 F CB 0.080 38.715 39.000 -0.608 0.000 1.081 24 F HN -0.221 nan 8.300 nan 0.000 0.558 25 R N 0.299 120.753 120.500 -0.076 0.000 2.075 25 R HA -0.107 4.237 4.340 0.006 0.000 0.232 25 R C 0.546 176.815 176.300 -0.053 0.000 1.126 25 R CA 0.922 56.986 56.100 -0.059 0.000 0.963 25 R CB -0.283 30.020 30.300 0.004 0.000 0.858 25 R HN 0.069 nan 8.270 nan 0.000 0.435 26 N N 0.640 119.319 118.700 -0.034 0.000 2.500 26 N HA -0.046 4.697 4.740 0.006 0.000 0.236 26 N C 0.143 175.620 175.510 -0.055 0.000 1.022 26 N CA -0.079 52.948 53.050 -0.039 0.000 0.935 26 N CB 0.656 39.125 38.487 -0.031 0.000 1.147 26 N HN 0.035 nan 8.380 nan 0.000 0.512 27 F N 3.787 123.538 119.950 -0.332 0.000 2.046 27 F HA -0.255 4.276 4.527 0.006 0.000 0.297 27 F C 2.421 177.925 175.800 -0.493 0.000 1.123 27 F CA 2.260 59.873 58.000 -0.645 0.000 1.199 27 F CB -0.434 37.967 39.000 -0.999 0.000 0.972 27 F HN 0.576 nan 8.300 nan 0.000 0.474 28 S N 0.539 116.002 115.700 -0.397 0.000 2.383 28 S HA -0.283 4.190 4.470 0.006 0.000 0.229 28 S C 2.266 176.678 174.600 -0.313 0.000 1.030 28 S CA 1.283 59.240 58.200 -0.404 0.000 1.002 28 S CB -0.927 62.164 63.200 -0.182 0.000 0.829 28 S HN 0.562 nan 8.310 nan 0.000 0.467 29 R N -0.294 120.099 120.500 -0.179 0.000 2.073 29 R HA -0.136 4.207 4.340 0.006 0.000 0.234 29 R C 2.272 178.555 176.300 -0.028 0.000 1.134 29 R CA 1.563 57.618 56.100 -0.075 0.000 0.952 29 R CB -0.568 29.721 30.300 -0.019 0.000 0.850 29 R HN 0.501 nan 8.270 nan 0.000 0.433 30 Y N 0.968 121.152 120.300 -0.193 0.000 2.293 30 Y HA -0.149 4.405 4.550 0.006 0.000 0.291 30 Y C 2.014 177.797 175.900 -0.195 0.000 1.137 30 Y CA 0.958 58.999 58.100 -0.099 0.000 1.202 30 Y CB 0.008 38.472 38.460 0.007 0.000 0.990 30 Y HN 0.071 nan 8.280 nan 0.000 0.537 31 I N -0.380 119.924 120.570 -0.443 0.000 2.202 31 I HA -0.258 3.916 4.170 0.006 0.000 0.242 31 I C 2.594 178.547 176.117 -0.273 0.000 1.091 31 I CA 1.496 62.517 61.300 -0.464 0.000 1.368 31 I CB -1.856 35.763 38.000 -0.634 0.000 1.058 31 I HN 0.225 nan 8.210 nan 0.000 0.410 32 A N -0.059 122.633 122.820 -0.213 0.000 1.972 32 A HA -0.274 4.049 4.320 0.006 0.000 0.219 32 A C 2.341 179.855 177.584 -0.117 0.000 1.169 32 A CA 1.411 53.372 52.037 -0.127 0.000 0.635 32 A CB -1.022 17.929 19.000 -0.082 0.000 0.810 32 A HN 0.494 nan 8.150 nan 0.000 0.446 33 Y N 1.536 121.686 120.300 -0.250 0.000 2.163 33 Y HA -0.184 4.370 4.550 0.006 0.000 0.288 33 Y C 2.035 177.732 175.900 -0.338 0.000 1.136 33 Y CA 1.696 59.642 58.100 -0.258 0.000 1.147 33 Y CB -0.403 37.894 38.460 -0.271 0.000 0.987 33 Y HN 0.420 nan 8.280 nan 0.000 0.509 34 I N -1.836 118.224 120.570 -0.850 0.000 2.493 34 I HA -0.142 4.031 4.170 0.006 0.000 0.254 34 I C 1.709 177.580 176.117 -0.411 0.000 1.160 34 I CA 1.660 62.377 61.300 -0.972 0.000 1.445 34 I CB -0.581 36.686 38.000 -1.221 0.000 1.086 34 I HN 0.206 nan 8.210 nan 0.000 0.433 35 E N 1.980 122.036 120.200 -0.239 0.000 2.150 35 E HA -0.149 4.205 4.350 0.006 0.000 0.193 35 E C 2.410 178.971 176.600 -0.065 0.000 0.985 35 E CA 1.592 57.943 56.400 -0.082 0.000 0.814 35 E CB -0.103 29.483 29.700 -0.191 0.000 0.752 35 E HN 0.739 nan 8.360 nan 0.000 0.466 36 S N 0.760 116.362 115.700 -0.164 0.000 2.474 36 S HA -0.090 4.383 4.470 0.006 0.000 0.235 36 S C 1.683 176.218 174.600 -0.109 0.000 0.997 36 S CA 0.617 58.753 58.200 -0.106 0.000 0.949 36 S CB 0.083 63.230 63.200 -0.089 0.000 0.766 36 S HN 0.093 nan 8.310 nan 0.000 0.517 37 Q N 0.484 120.173 119.800 -0.185 0.000 2.319 37 Q HA 0.294 4.638 4.340 0.006 0.000 0.202 37 Q C 1.404 177.396 176.000 -0.014 0.000 0.896 37 Q CA 0.621 56.368 55.803 -0.093 0.000 0.942 37 Q CB 0.162 28.860 28.738 -0.066 0.000 1.083 37 Q HN 0.782 nan 8.270 nan 0.000 0.510 38 G N 0.632 109.431 108.800 -0.002 0.000 2.143 38 G HA2 -0.361 3.602 3.960 0.006 0.000 0.249 38 G HA3 -0.361 3.602 3.960 0.006 0.000 0.249 38 G C 1.056 175.829 174.900 -0.211 0.000 0.981 38 G CA 0.644 45.686 45.100 -0.097 0.000 0.665 38 G HN 0.469 nan 8.290 nan 0.000 0.528 39 A N 0.860 123.643 122.820 -0.061 0.000 1.948 39 A HA -0.115 4.209 4.320 0.006 0.000 0.220 39 A C 2.090 179.327 177.584 -0.579 0.000 1.177 39 A CA 2.354 54.334 52.037 -0.095 0.000 0.636 39 A CB -0.816 18.270 19.000 0.144 0.000 0.815 39 A HN 1.333 nan 8.150 nan 0.000 0.449 40 H N -0.661 117.789 119.070 -1.034 0.000 2.489 40 H HA -0.057 4.503 4.556 0.006 0.000 0.293 40 H C 1.681 176.624 175.328 -0.642 0.000 1.066 40 H CA 1.252 56.358 56.048 -1.571 0.000 1.305 40 H CB -0.503 28.652 29.762 -1.011 0.000 1.386 40 H HN 0.372 nan 8.280 nan 0.000 0.551 41 R N 1.218 121.193 120.500 -0.875 0.000 2.103 41 R HA -0.038 4.306 4.340 0.006 0.000 0.242 41 R C 2.455 178.616 176.300 -0.233 0.000 1.142 41 R CA 1.369 57.179 56.100 -0.484 0.000 0.960 41 R CB -0.938 29.133 30.300 -0.383 0.000 0.858 41 R HN 0.523 nan 8.270 nan 0.000 0.439 42 A N -0.513 122.191 122.820 -0.194 0.000 2.119 42 A HA 0.200 4.524 4.320 0.006 0.000 0.216 42 A C 1.719 179.331 177.584 0.046 0.000 1.152 42 A CA 1.374 53.390 52.037 -0.035 0.000 0.708 42 A CB -0.172 18.827 19.000 -0.002 0.000 0.805 42 A HN 0.469 nan 8.150 nan 0.000 0.460 43 G N -1.927 106.878 108.800 0.008 0.000 2.284 43 G HA2 -0.219 3.745 3.960 0.006 0.000 0.247 43 G HA3 -0.219 3.745 3.960 0.006 0.000 0.247 43 G C 0.128 175.237 174.900 0.348 0.000 1.012 43 G CA 0.467 45.669 45.100 0.170 0.000 0.618 43 G HN 0.724 nan 8.290 nan 0.000 0.521 44 L N 0.206 121.599 121.223 0.283 0.000 2.409 44 L HA 0.790 5.134 4.340 0.006 0.000 0.262 44 L C -0.525 176.494 176.870 0.249 0.000 0.992 44 L CA -0.364 54.597 54.840 0.202 0.000 0.817 44 L CB 2.141 44.235 42.059 0.059 0.000 1.350 44 L HN 0.777 nan 8.230 nan 0.000 0.411 45 A N 3.283 126.227 122.820 0.208 0.000 2.574 45 A HA 0.584 4.907 4.320 0.006 0.000 0.297 45 A C -1.757 175.892 177.584 0.108 0.000 1.062 45 A CA -0.667 51.521 52.037 0.252 0.000 0.686 45 A CB 2.204 21.516 19.000 0.519 0.000 1.285 45 A HN 0.597 nan 8.150 nan 0.000 0.403 46 K N 1.280 121.756 120.400 0.127 0.000 2.221 46 K HA 0.714 5.038 4.320 0.006 0.000 0.258 46 K C -1.741 174.963 176.600 0.174 0.000 0.944 46 K CA -0.431 55.891 56.287 0.058 0.000 0.823 46 K CB 1.771 34.239 32.500 -0.054 0.000 1.113 46 K HN 0.451 nan 8.250 nan 0.000 0.431 47 V N 4.563 124.579 119.914 0.170 0.000 2.443 47 V HA 0.235 4.359 4.120 0.006 0.000 0.293 47 V C -0.688 175.415 176.094 0.014 0.000 1.021 47 V CA -0.952 61.446 62.300 0.163 0.000 0.848 47 V CB 1.721 33.708 31.823 0.273 0.000 0.998 47 V HN 0.564 nan 8.190 nan 0.000 0.424 48 V N 8.151 127.926 119.914 -0.232 0.000 2.385 48 V HA 0.324 4.448 4.120 0.006 0.000 0.269 48 V C -2.116 173.790 176.094 -0.313 0.000 1.043 48 V CA -1.781 60.346 62.300 -0.288 0.000 0.906 48 V CB 1.384 32.853 31.823 -0.591 0.000 0.995 48 V HN 0.709 nan 8.190 nan 0.000 0.467 49 P HA 0.221 nan 4.420 nan 0.000 0.272 49 P C -2.554 174.442 177.300 -0.506 0.000 1.223 49 P CA -1.535 61.107 63.100 -0.764 0.000 0.784 49 P CB -0.211 31.174 31.700 -0.524 0.000 0.923 50 P HA -0.030 nan 4.420 nan 0.000 0.267 50 P C 0.773 178.019 177.300 -0.090 0.000 1.205 50 P CA 0.010 62.938 63.100 -0.286 0.000 0.765 50 P CB 0.679 32.200 31.700 -0.298 0.000 0.828 51 K N 3.295 123.685 120.400 -0.016 0.000 2.117 51 K HA -0.248 4.076 4.320 0.006 0.000 0.215 51 K C 0.601 177.240 176.600 0.064 0.000 1.053 51 K CA 2.114 58.423 56.287 0.037 0.000 0.935 51 K CB -0.871 31.649 32.500 0.033 0.000 0.719 51 K HN 0.393 nan 8.250 nan 0.000 0.460 52 E N -0.053 120.183 120.200 0.061 0.000 2.330 52 E HA 0.059 4.412 4.350 0.006 0.000 0.210 52 E C -0.829 175.854 176.600 0.139 0.000 1.256 52 E CA -0.018 56.427 56.400 0.075 0.000 1.346 52 E CB -0.582 29.152 29.700 0.056 0.000 1.308 52 E HN 0.459 nan 8.360 nan 0.000 0.441 53 W N 1.387 122.655 121.300 -0.054 0.000 2.739 53 W HA 0.518 5.181 4.660 0.006 0.000 0.331 53 W C -1.091 175.425 176.519 -0.006 0.000 1.049 53 W CA -0.857 56.467 57.345 -0.035 0.000 1.234 53 W CB 1.349 30.736 29.460 -0.121 0.000 1.404 53 W HN -0.326 nan 8.180 nan 0.000 0.477 54 K N 6.534 126.421 120.400 -0.855 0.000 2.513 54 K HA 0.276 4.599 4.320 0.006 0.000 0.251 54 K C -2.124 173.770 176.600 -1.176 0.000 0.939 54 K CA -1.523 54.280 56.287 -0.807 0.000 0.793 54 K CB 2.749 35.039 32.500 -0.349 0.000 1.241 54 K HN 0.301 nan 8.250 nan 0.000 0.431 55 P HA 0.012 nan 4.420 nan 0.000 0.230 55 P C -0.132 176.840 177.300 -0.547 0.000 1.168 55 P CA 0.479 63.000 63.100 -0.965 0.000 0.793 55 P CB 1.096 32.050 31.700 -1.244 0.000 0.851 56 R N -1.361 118.877 120.500 -0.436 0.000 2.668 56 R HA 0.606 4.950 4.340 0.006 0.000 0.272 56 R C 0.648 176.721 176.300 -0.379 0.000 1.019 56 R CA -0.246 55.617 56.100 -0.395 0.000 0.894 56 R CB 1.189 31.158 30.300 -0.552 0.000 1.228 56 R HN -0.231 nan 8.270 nan 0.000 0.460 57 A N 1.905 124.562 122.820 -0.272 0.000 1.845 57 A HA 0.033 4.356 4.320 0.006 0.000 0.215 57 A C 0.459 177.891 177.584 -0.253 0.000 1.195 57 A CA 1.656 53.573 52.037 -0.201 0.000 0.616 57 A CB -0.364 18.563 19.000 -0.123 0.000 0.832 57 A HN 0.823 nan 8.150 nan 0.000 0.443 58 S N -3.292 112.207 115.700 -0.334 0.000 2.537 58 S HA 0.571 5.045 4.470 0.006 0.000 0.270 58 S C -0.925 173.447 174.600 -0.380 0.000 1.142 58 S CA -0.591 57.427 58.200 -0.303 0.000 0.870 58 S CB 0.477 63.600 63.200 -0.127 0.000 1.112 58 S HN 0.270 nan 8.310 nan 0.000 0.466 59 Y N 1.412 121.682 120.300 -0.050 0.000 2.867 59 Y HA 0.334 4.888 4.550 0.006 0.000 0.351 59 Y C 0.796 176.645 175.900 -0.085 0.000 1.046 59 Y CA -0.655 57.413 58.100 -0.054 0.000 1.520 59 Y CB -0.025 38.375 38.460 -0.100 0.000 1.337 59 Y HN 0.652 nan 8.280 nan 0.000 0.525 60 D N -0.026 120.391 120.400 0.028 0.000 2.301 60 D HA -0.068 4.575 4.640 0.006 0.000 0.206 60 D C 0.180 176.498 176.300 0.030 0.000 0.979 60 D CA 0.757 54.767 54.000 0.015 0.000 0.874 60 D CB 0.074 40.870 40.800 -0.006 0.000 0.968 60 D HN 0.567 nan 8.370 nan 0.000 0.510 61 D N 1.014 121.431 120.400 0.029 0.000 3.057 61 D HA 0.113 4.757 4.640 0.006 0.000 0.246 61 D C 1.272 177.609 176.300 0.062 0.000 1.238 61 D CA -0.156 53.864 54.000 0.032 0.000 0.949 61 D CB -0.632 40.176 40.800 0.013 0.000 1.086 61 D HN 0.379 nan 8.370 nan 0.000 0.487 62 I N -4.954 115.668 120.570 0.087 0.000 4.665 62 I HA 0.252 4.425 4.170 0.006 0.000 0.360 62 I C 0.043 176.212 176.117 0.085 0.000 1.259 62 I CA -0.360 61.008 61.300 0.113 0.000 1.301 62 I CB 0.537 38.661 38.000 0.208 0.000 1.746 62 I HN -0.297 nan 8.210 nan 0.000 0.598 63 D N 2.565 123.007 120.400 0.069 0.000 2.271 63 D HA -0.177 4.467 4.640 0.006 0.000 0.207 63 D C 1.023 177.331 176.300 0.014 0.000 0.983 63 D CA 1.651 55.679 54.000 0.046 0.000 0.878 63 D CB -0.126 40.695 40.800 0.035 0.000 0.920 63 D HN 0.519 nan 8.370 nan 0.000 0.479 64 D N -0.647 119.762 120.400 0.016 0.000 2.348 64 D HA 0.042 4.686 4.640 0.006 0.000 0.211 64 D C 0.401 176.696 176.300 -0.008 0.000 0.998 64 D CA -0.174 53.828 54.000 0.004 0.000 0.873 64 D CB 0.078 40.884 40.800 0.010 0.000 0.925 64 D HN 0.110 nan 8.370 nan 0.000 0.524 65 L N 1.367 122.584 121.223 -0.009 0.000 2.525 65 L HA 0.058 4.401 4.340 0.006 0.000 0.278 65 L C -0.431 176.391 176.870 -0.080 0.000 1.218 65 L CA 0.065 54.892 54.840 -0.022 0.000 0.878 65 L CB 0.630 42.694 42.059 0.009 0.000 1.127 65 L HN -0.218 nan 8.230 nan 0.000 0.492 66 V N 6.908 126.787 119.914 -0.059 0.000 2.481 66 V HA 0.322 4.446 4.120 0.006 0.000 0.286 66 V C 0.407 176.439 176.094 -0.103 0.000 1.042 66 V CA -0.378 61.877 62.300 -0.075 0.000 0.928 66 V CB 1.349 33.148 31.823 -0.040 0.000 0.986 66 V HN 0.596 nan 8.190 nan 0.000 0.462 67 I N 7.470 127.958 120.570 -0.136 0.000 2.377 67 I HA 0.252 4.426 4.170 0.006 0.000 0.282 67 I C -1.116 174.942 176.117 -0.098 0.000 1.091 67 I CA -1.587 59.623 61.300 -0.151 0.000 1.207 67 I CB 1.731 39.589 38.000 -0.236 0.000 1.429 67 I HN 0.524 nan 8.210 nan 0.000 0.491 68 P HA -0.162 nan 4.420 nan 0.000 0.216 68 P C 0.575 177.841 177.300 -0.057 0.000 1.150 68 P CA 1.120 64.185 63.100 -0.058 0.000 0.837 68 P CB 0.435 32.105 31.700 -0.051 0.000 0.786 69 A N 0.321 123.091 122.820 -0.084 0.000 3.248 69 A HA 0.450 4.774 4.320 0.006 0.000 0.315 69 A C -2.398 175.140 177.584 -0.077 0.000 0.974 69 A CA -1.573 50.421 52.037 -0.072 0.000 0.939 69 A CB -0.060 18.891 19.000 -0.081 0.000 1.061 69 A HN 0.101 nan 8.150 nan 0.000 0.481 70 P HA 0.313 nan 4.420 nan 0.000 0.269 70 P C -0.519 176.793 177.300 0.021 0.000 1.215 70 P CA 0.356 63.446 63.100 -0.016 0.000 0.780 70 P CB 1.146 32.870 31.700 0.040 0.000 0.898 71 I N 1.233 121.839 120.570 0.061 0.000 2.498 71 I HA 0.267 4.440 4.170 0.006 0.000 0.290 71 I C 0.357 176.542 176.117 0.114 0.000 1.032 71 I CA -0.843 60.504 61.300 0.078 0.000 1.073 71 I CB 2.341 40.383 38.000 0.069 0.000 1.251 71 I HN 0.324 nan 8.210 nan 0.000 0.426 72 Q N 5.856 125.706 119.800 0.084 0.000 2.274 72 Q HA 0.319 4.662 4.340 0.006 0.000 0.256 72 Q C -1.097 174.948 176.000 0.075 0.000 0.927 72 Q CA -0.567 55.278 55.803 0.070 0.000 0.939 72 Q CB 1.141 29.912 28.738 0.055 0.000 1.201 72 Q HN 0.520 nan 8.270 nan 0.000 0.426 73 Q N 4.139 123.974 119.800 0.058 0.000 2.421 73 Q HA 0.307 4.651 4.340 0.006 0.000 0.242 73 Q C -1.008 175.014 176.000 0.035 0.000 1.024 73 Q CA -0.268 55.564 55.803 0.050 0.000 0.891 73 Q CB 1.053 29.801 28.738 0.016 0.000 1.222 73 Q HN 0.559 nan 8.270 nan 0.000 0.483 74 L N 3.239 124.513 121.223 0.084 0.000 2.265 74 L HA 0.365 4.709 4.340 0.006 0.000 0.288 74 L C -0.647 176.300 176.870 0.128 0.000 1.058 74 L CA -0.617 54.275 54.840 0.088 0.000 0.809 74 L CB 1.254 43.372 42.059 0.098 0.000 1.179 74 L HN 0.320 nan 8.230 nan 0.000 0.429 75 V N 2.352 122.291 119.914 0.041 0.000 2.459 75 V HA 0.526 4.649 4.120 0.006 0.000 0.295 75 V C 0.064 176.215 176.094 0.094 0.000 1.029 75 V CA -0.534 61.793 62.300 0.045 0.000 0.874 75 V CB 1.775 33.502 31.823 -0.160 0.000 0.985 75 V HN 0.736 nan 8.190 nan 0.000 0.438 76 T N 2.750 117.445 114.554 0.234 0.000 2.861 76 T HA 0.866 5.220 4.350 0.006 0.000 0.287 76 T C -0.209 174.697 174.700 0.345 0.000 1.003 76 T CA 0.452 62.695 62.100 0.238 0.000 0.977 76 T CB 1.343 70.341 68.868 0.217 0.000 0.996 76 T HN 1.532 nan 8.240 nan 0.000 0.448 77 G N 2.740 111.715 108.800 0.291 0.000 2.356 77 G HA2 0.475 4.438 3.960 0.006 0.000 0.300 77 G HA3 0.475 4.438 3.960 0.006 0.000 0.300 77 G C -1.913 172.974 174.900 -0.023 0.000 1.331 77 G CA -0.219 44.953 45.100 0.119 0.000 0.905 77 G HN 1.021 nan 8.290 nan 0.000 0.587 78 Q N -1.775 117.775 119.800 -0.416 0.000 2.575 78 Q HA 0.592 4.936 4.340 0.006 0.000 0.290 78 Q C 0.089 175.816 176.000 -0.456 0.000 0.963 78 Q CA -0.174 55.456 55.803 -0.288 0.000 0.783 78 Q CB 1.396 30.063 28.738 -0.118 0.000 1.467 78 Q HN 2.434 nan 8.270 nan 0.000 0.402 79 S N -0.921 114.640 115.700 -0.233 0.000 3.378 79 S HA -0.193 4.281 4.470 0.006 0.000 0.365 79 S C 1.054 175.457 174.600 -0.329 0.000 0.951 79 S CA 1.376 59.453 58.200 -0.206 0.000 1.274 79 S CB -2.425 60.672 63.200 -0.172 0.000 0.915 79 S HN 2.361 nan 8.310 nan 0.000 0.513 80 G N -0.226 108.374 108.800 -0.332 0.000 2.234 80 G HA2 -0.277 3.687 3.960 0.006 0.000 0.260 80 G HA3 -0.277 3.687 3.960 0.006 0.000 0.260 80 G C -0.013 174.588 174.900 -0.498 0.000 0.987 80 G CA 0.310 45.226 45.100 -0.307 0.000 0.625 80 G HN 1.190 nan 8.290 nan 0.000 0.532 81 L N 0.145 120.835 121.223 -0.888 0.000 2.325 81 L HA 0.817 5.160 4.340 0.006 0.000 0.281 81 L C -0.400 176.035 176.870 -0.725 0.000 1.004 81 L CA -0.988 53.503 54.840 -0.582 0.000 0.823 81 L CB 1.214 42.912 42.059 -0.602 0.000 1.236 81 L HN 0.054 nan 8.230 nan 0.000 0.415 82 F N -0.114 119.982 119.950 0.243 0.000 2.643 82 F HA 0.615 5.145 4.527 0.005 0.000 0.314 82 F C 0.046 175.942 175.800 0.159 0.000 1.096 82 F CA -0.769 57.344 58.000 0.188 0.000 0.953 82 F CB 2.395 41.453 39.000 0.097 0.000 1.345 82 F HN 0.146 nan 8.300 nan 0.000 0.468 83 T N 0.907 115.651 114.554 0.316 0.000 2.848 83 T HA 0.339 4.693 4.350 0.006 0.000 0.285 83 T C -1.229 173.495 174.700 0.039 0.000 0.995 83 T CA -0.712 61.431 62.100 0.072 0.000 0.970 83 T CB 1.686 70.587 68.868 0.056 0.000 0.976 83 T HN 0.559 nan 8.240 nan 0.000 0.441 84 Q N 2.559 122.295 119.800 -0.106 0.000 2.325 84 Q HA 0.442 4.785 4.340 0.006 0.000 0.262 84 Q C -1.576 174.301 176.000 -0.206 0.000 0.968 84 Q CA -0.663 55.105 55.803 -0.059 0.000 0.877 84 Q CB 0.744 29.466 28.738 -0.026 0.000 1.253 84 Q HN 0.631 nan 8.270 nan 0.000 0.448 85 Y N 2.292 122.615 120.300 0.037 0.000 2.360 85 Y HA 0.372 4.926 4.550 0.006 0.000 0.337 85 Y C 0.085 176.005 175.900 0.033 0.000 1.039 85 Y CA -0.826 57.295 58.100 0.036 0.000 1.109 85 Y CB 1.322 39.803 38.460 0.035 0.000 1.201 85 Y HN 0.583 nan 8.280 nan 0.000 0.458 86 N N 3.262 122.050 118.700 0.148 0.000 2.487 86 N HA 0.534 5.278 4.740 0.006 0.000 0.292 86 N C -1.084 174.489 175.510 0.105 0.000 1.108 86 N CA -0.402 52.712 53.050 0.107 0.000 0.956 86 N CB 1.706 40.235 38.487 0.070 0.000 1.176 86 N HN 0.552 nan 8.380 nan 0.000 0.484 87 I N 1.309 121.928 120.570 0.083 0.000 2.497 87 I HA 0.092 4.266 4.170 0.006 0.000 0.284 87 I C 0.007 176.155 176.117 0.051 0.000 1.060 87 I CA -0.639 60.701 61.300 0.066 0.000 1.071 87 I CB 1.855 39.893 38.000 0.064 0.000 1.216 87 I HN 0.139 nan 8.210 nan 0.000 0.442 88 Q N 5.749 125.572 119.800 0.039 0.000 2.242 88 Q HA 0.057 4.401 4.340 0.006 0.000 0.284 88 Q C 0.255 176.272 176.000 0.029 0.000 1.130 88 Q CA 0.534 56.353 55.803 0.026 0.000 0.940 88 Q CB 0.962 29.710 28.738 0.017 0.000 1.146 88 Q HN 0.464 nan 8.270 nan 0.000 0.388 89 K N 2.709 123.127 120.400 0.031 0.000 3.206 89 K HA 0.276 4.600 4.320 0.006 0.000 0.284 89 K C 0.182 176.796 176.600 0.022 0.000 1.082 89 K CA 0.221 56.528 56.287 0.034 0.000 1.536 89 K CB 0.150 32.677 32.500 0.045 0.000 1.993 89 K HN 0.565 nan 8.250 nan 0.000 0.646 90 K N -0.818 119.595 120.400 0.021 0.000 2.546 90 K HA 0.623 4.947 4.320 0.006 0.000 0.264 90 K C -0.977 175.628 176.600 0.009 0.000 0.937 90 K CA -0.908 55.386 56.287 0.011 0.000 0.833 90 K CB 1.654 34.162 32.500 0.013 0.000 1.378 90 K HN 0.385 nan 8.250 nan 0.000 0.432 91 A N 3.230 126.048 122.820 -0.004 0.000 2.641 91 A HA 0.120 4.443 4.320 0.006 0.000 0.228 91 A C 0.232 177.816 177.584 -0.000 0.000 1.049 91 A CA 1.056 53.087 52.037 -0.011 0.000 0.779 91 A CB -0.549 18.441 19.000 -0.017 0.000 0.947 91 A HN 0.893 nan 8.150 nan 0.000 0.498 92 M N 0.598 120.193 119.600 -0.008 0.000 2.732 92 M HA 0.635 5.119 4.480 0.006 0.000 0.272 92 M C -0.350 175.937 176.300 -0.022 0.000 1.203 92 M CA -0.214 55.091 55.300 0.007 0.000 0.841 92 M CB 1.593 34.224 32.600 0.051 0.000 1.685 92 M HN 0.942 nan 8.290 nan 0.000 0.492 93 T N -0.854 113.692 114.554 -0.013 0.000 2.902 93 T HA 0.481 4.835 4.350 0.006 0.000 0.280 93 T C 0.944 175.614 174.700 -0.050 0.000 0.992 93 T CA -0.655 61.419 62.100 -0.043 0.000 1.015 93 T CB 1.497 70.353 68.868 -0.021 0.000 1.044 93 T HN 0.520 nan 8.240 nan 0.000 0.520 94 V N 1.373 121.212 119.914 -0.125 0.000 2.287 94 V HA -0.143 3.981 4.120 0.006 0.000 0.248 94 V C 3.015 179.142 176.094 0.055 0.000 1.053 94 V CA 2.324 64.543 62.300 -0.135 0.000 1.027 94 V CB -1.039 30.668 31.823 -0.194 0.000 0.646 94 V HN 0.972 nan 8.190 nan 0.000 0.447 95 R N 0.236 120.751 120.500 0.026 0.000 2.096 95 R HA -0.244 4.099 4.340 0.006 0.000 0.240 95 R C 2.259 178.571 176.300 0.019 0.000 1.139 95 R CA 2.322 58.435 56.100 0.022 0.000 0.952 95 R CB -0.302 30.003 30.300 0.008 0.000 0.854 95 R HN 0.639 nan 8.270 nan 0.000 0.436 96 E N -0.661 119.560 120.200 0.035 0.000 2.110 96 E HA -0.216 4.137 4.350 0.006 0.000 0.193 96 E C 1.748 178.387 176.600 0.065 0.000 0.988 96 E CA 1.289 57.712 56.400 0.038 0.000 0.804 96 E CB -0.210 29.516 29.700 0.044 0.000 0.745 96 E HN 0.343 nan 8.360 nan 0.000 0.458 97 F N 2.315 122.246 119.950 -0.033 0.000 2.113 97 F HA -0.151 4.379 4.527 0.005 0.000 0.297 97 F C 2.428 178.224 175.800 -0.005 0.000 1.103 97 F CA 1.796 59.803 58.000 0.011 0.000 1.248 97 F CB -0.002 39.025 39.000 0.045 0.000 0.999 97 F HN -0.166 nan 8.300 nan 0.000 0.475 98 R N 0.474 120.954 120.500 -0.033 0.000 2.152 98 R HA -0.110 4.233 4.340 0.006 0.000 0.232 98 R C 1.851 177.933 176.300 -0.363 0.000 1.117 98 R CA 1.187 56.975 56.100 -0.520 0.000 0.981 98 R CB -0.648 29.162 30.300 -0.818 0.000 0.870 98 R HN 0.110 nan 8.270 nan 0.000 0.451 99 K N 1.538 121.821 120.400 -0.195 0.000 1.991 99 K HA -0.113 4.210 4.320 0.006 0.000 0.212 99 K C 2.192 178.727 176.600 -0.109 0.000 1.049 99 K CA 1.794 58.008 56.287 -0.123 0.000 0.932 99 K CB -0.545 31.917 32.500 -0.063 0.000 0.717 99 K HN 0.316 nan 8.250 nan 0.000 0.441 100 I N 1.395 121.890 120.570 -0.125 0.000 2.163 100 I HA -0.263 3.911 4.170 0.006 0.000 0.243 100 I C 2.601 178.678 176.117 -0.067 0.000 1.085 100 I CA 1.326 62.586 61.300 -0.067 0.000 1.347 100 I CB -0.611 37.292 38.000 -0.161 0.000 1.044 100 I HN 0.085 nan 8.210 nan 0.000 0.408 101 A N 1.031 123.689 122.820 -0.269 0.000 1.940 101 A HA -0.193 4.130 4.320 0.006 0.000 0.219 101 A C 1.998 179.593 177.584 0.018 0.000 1.176 101 A CA 1.894 53.846 52.037 -0.142 0.000 0.631 101 A CB -0.564 18.353 19.000 -0.140 0.000 0.814 101 A HN 0.468 nan 8.150 nan 0.000 0.446 102 N N 0.259 118.923 118.700 -0.059 0.000 2.373 102 N HA -0.000 4.743 4.740 0.006 0.000 0.181 102 N C 0.619 176.137 175.510 0.013 0.000 1.082 102 N CA 0.751 53.793 53.050 -0.013 0.000 0.885 102 N CB -0.088 38.352 38.487 -0.078 0.000 0.977 102 N HN 0.571 nan 8.380 nan 0.000 0.462 103 S N 0.612 116.327 115.700 0.024 0.000 2.568 103 S HA 0.055 4.529 4.470 0.006 0.000 0.282 103 S C 0.608 175.224 174.600 0.026 0.000 1.338 103 S CA -0.333 57.881 58.200 0.023 0.000 1.045 103 S CB 0.983 64.206 63.200 0.038 0.000 0.873 103 S HN -0.014 nan 8.310 nan 0.000 0.516 104 D N 0.877 121.273 120.400 -0.007 0.000 2.309 104 D HA -0.048 4.595 4.640 0.006 0.000 0.212 104 D C 1.667 177.938 176.300 -0.048 0.000 0.968 104 D CA 0.935 54.925 54.000 -0.018 0.000 0.882 104 D CB -0.058 40.725 40.800 -0.029 0.000 0.918 104 D HN 0.638 nan 8.370 nan 0.000 0.503 105 K N -0.385 119.950 120.400 -0.108 0.000 2.148 105 K HA -0.080 4.244 4.320 0.006 0.000 0.204 105 K C 0.485 176.850 176.600 -0.392 0.000 1.050 105 K CA 1.272 57.380 56.287 -0.298 0.000 0.942 105 K CB -0.095 32.139 32.500 -0.443 0.000 0.724 105 K HN 0.331 nan 8.250 nan 0.000 0.446 106 Y N -1.560 118.777 120.300 0.062 0.000 2.626 106 Y HA 0.268 4.821 4.550 0.006 0.000 0.248 106 Y C 0.404 176.411 175.900 0.178 0.000 1.147 106 Y CA -1.028 57.143 58.100 0.118 0.000 1.219 106 Y CB 0.450 38.946 38.460 0.059 0.000 1.279 106 Y HN -0.053 nan 8.280 nan 0.000 0.541 107 C N 1.485 120.917 119.300 0.220 0.000 2.580 107 C HA 0.293 4.757 4.460 0.006 0.000 0.371 107 C C 1.110 176.126 174.990 0.044 0.000 1.308 107 C CA 0.109 59.221 59.018 0.157 0.000 2.428 107 C CB 0.200 27.984 27.740 0.073 0.000 2.529 107 C HN 0.352 nan 8.230 nan 0.000 0.657 108 T N 6.079 120.605 114.554 -0.047 0.000 2.940 108 T HA 0.225 4.578 4.350 0.006 0.000 0.309 108 T C -1.975 172.492 174.700 -0.389 0.000 1.056 108 T CA -0.099 61.748 62.100 -0.423 0.000 1.137 108 T CB 0.262 69.028 68.868 -0.170 0.000 0.976 108 T HN 0.702 nan 8.240 nan 0.000 0.547 109 P HA 0.271 nan 4.420 nan 0.000 0.279 109 P C -0.540 176.684 177.300 -0.127 0.000 1.276 109 P CA -0.896 62.037 63.100 -0.278 0.000 0.801 109 P CB 0.670 32.204 31.700 -0.276 0.000 1.127 110 R N 1.277 121.738 120.500 -0.064 0.000 2.438 110 R HA 0.309 4.653 4.340 0.006 0.000 0.287 110 R C -0.555 175.770 176.300 0.040 0.000 1.077 110 R CA -0.261 55.814 56.100 -0.043 0.000 1.034 110 R CB -0.882 29.387 30.300 -0.052 0.000 0.993 110 R HN 0.705 nan 8.270 nan 0.000 0.459 111 Y N -2.108 118.147 120.300 -0.075 0.000 2.689 111 Y HA 0.478 5.031 4.550 0.006 0.000 0.333 111 Y C -0.195 175.699 175.900 -0.010 0.000 1.208 111 Y CA -0.733 57.336 58.100 -0.051 0.000 1.055 111 Y CB 0.906 39.317 38.460 -0.081 0.000 1.304 111 Y HN 0.531 nan 8.280 nan 0.000 0.455 112 S N -0.013 115.763 115.700 0.128 0.000 2.783 112 S HA 0.181 4.654 4.470 0.006 0.000 0.205 112 S C -0.031 174.729 174.600 0.265 0.000 0.910 112 S CA 0.402 58.630 58.200 0.046 0.000 0.861 112 S CB -0.563 62.678 63.200 0.069 0.000 0.830 112 S HN 0.802 nan 8.310 nan 0.000 0.630 113 E N 0.482 120.880 120.200 0.331 0.000 2.318 113 E HA 0.205 4.558 4.350 0.006 0.000 0.265 113 E C 0.605 177.435 176.600 0.383 0.000 1.069 113 E CA -0.579 56.026 56.400 0.342 0.000 0.893 113 E CB 0.461 30.298 29.700 0.228 0.000 1.076 113 E HN 0.436 nan 8.360 nan 0.000 0.414 114 F N 1.517 121.594 119.950 0.212 0.000 2.171 114 F HA -0.161 4.369 4.527 0.006 0.000 0.300 114 F C 2.078 177.919 175.800 0.070 0.000 1.090 114 F CA 1.955 59.997 58.000 0.069 0.000 1.293 114 F CB -0.008 39.073 39.000 0.136 0.000 1.013 114 F HN 0.726 nan 8.300 nan 0.000 0.486 115 E N 0.215 120.459 120.200 0.073 0.000 2.171 115 E HA -0.323 4.031 4.350 0.006 0.000 0.197 115 E C 2.147 178.690 176.600 -0.095 0.000 0.997 115 E CA 1.629 58.024 56.400 -0.010 0.000 0.810 115 E CB -0.304 29.497 29.700 0.168 0.000 0.738 115 E HN 0.742 nan 8.360 nan 0.000 0.467 116 E N 0.052 120.222 120.200 -0.050 0.000 2.076 116 E HA -0.128 4.226 4.350 0.006 0.000 0.190 116 E C 2.241 178.759 176.600 -0.137 0.000 0.979 116 E CA 0.324 56.713 56.400 -0.019 0.000 0.807 116 E CB -0.016 29.744 29.700 0.099 0.000 0.761 116 E HN 0.285 nan 8.360 nan 0.000 0.454 117 L N 1.330 122.326 121.223 -0.378 0.000 2.141 117 L HA -0.167 4.177 4.340 0.006 0.000 0.209 117 L C 2.335 179.030 176.870 -0.292 0.000 1.094 117 L CA 1.710 56.236 54.840 -0.524 0.000 0.763 117 L CB -0.483 40.923 42.059 -1.087 0.000 0.908 117 L HN 0.296 nan 8.230 nan 0.000 0.437 118 E N -0.094 119.847 120.200 -0.431 0.000 2.072 118 E HA -0.246 4.108 4.350 0.006 0.000 0.191 118 E C 2.224 178.887 176.600 0.104 0.000 0.985 118 E CA 0.943 57.239 56.400 -0.174 0.000 0.801 118 E CB 0.019 29.526 29.700 -0.322 0.000 0.750 118 E HN 0.404 nan 8.360 nan 0.000 0.452 119 R N 0.300 120.842 120.500 0.070 0.000 2.096 119 R HA -0.085 4.258 4.340 0.006 0.000 0.235 119 R C 2.442 178.805 176.300 0.106 0.000 1.127 119 R CA 1.395 57.580 56.100 0.141 0.000 0.968 119 R CB -0.084 30.271 30.300 0.092 0.000 0.861 119 R HN 0.105 nan 8.270 nan 0.000 0.440 120 K N -0.449 119.988 120.400 0.061 0.000 2.148 120 K HA -0.176 4.148 4.320 0.006 0.000 0.204 120 K C 1.916 178.553 176.600 0.062 0.000 1.050 120 K CA 1.138 57.479 56.287 0.090 0.000 0.942 120 K CB -0.162 32.398 32.500 0.100 0.000 0.724 120 K HN 0.171 nan 8.250 nan 0.000 0.446 121 Y N 0.013 120.199 120.300 -0.191 0.000 2.114 121 Y HA -0.240 4.313 4.550 0.006 0.000 0.284 121 Y C 1.515 176.990 175.900 -0.710 0.000 1.143 121 Y CA 1.548 59.230 58.100 -0.696 0.000 1.135 121 Y CB -0.467 37.110 38.460 -1.472 0.000 0.980 121 Y HN 0.061 nan 8.280 nan 0.000 0.499 122 W N 1.015 122.088 121.300 -0.379 0.000 2.525 122 W HA -0.021 4.642 4.660 0.006 0.000 0.259 122 W C 2.468 178.803 176.519 -0.307 0.000 1.253 122 W CA 1.074 58.188 57.345 -0.385 0.000 1.262 122 W CB -0.025 29.389 29.460 -0.077 0.000 1.122 122 W HN 0.027 nan 8.180 nan 0.000 0.607 123 K N 0.199 120.560 120.400 -0.066 0.000 2.211 123 K HA -0.018 4.305 4.320 0.006 0.000 0.201 123 K C 0.979 177.499 176.600 -0.134 0.000 1.052 123 K CA 1.015 57.292 56.287 -0.016 0.000 0.973 123 K CB -0.019 32.524 32.500 0.073 0.000 0.766 123 K HN 0.026 nan 8.250 nan 0.000 0.466 124 N N 1.471 120.026 118.700 -0.242 0.000 2.200 124 N HA 0.029 4.772 4.740 0.006 0.000 0.224 124 N C 1.401 176.567 175.510 -0.575 0.000 1.179 124 N CA 0.067 52.965 53.050 -0.253 0.000 0.877 124 N CB 0.725 39.297 38.487 0.142 0.000 1.072 124 N HN 0.262 nan 8.380 nan 0.000 0.519 125 L N -0.315 120.392 121.223 -0.860 0.000 2.265 125 L HA 0.016 4.360 4.340 0.006 0.000 0.215 125 L C 1.833 178.268 176.870 -0.725 0.000 1.117 125 L CA 1.476 55.737 54.840 -0.967 0.000 0.782 125 L CB -0.964 40.236 42.059 -1.432 0.000 0.914 125 L HN -0.041 nan 8.230 nan 0.000 0.441 126 T N -3.332 110.737 114.554 -0.807 0.000 3.107 126 T HA 0.255 4.609 4.350 0.006 0.000 0.249 126 T C 0.329 174.799 174.700 -0.384 0.000 1.096 126 T CA -0.382 61.378 62.100 -0.568 0.000 1.012 126 T CB -0.637 67.936 68.868 -0.493 0.000 0.977 126 T HN 0.303 nan 8.240 nan 0.000 0.527 127 F N 1.397 121.277 119.950 -0.117 0.000 2.470 127 F HA 0.454 4.984 4.527 0.005 0.000 0.329 127 F C 0.835 176.614 175.800 -0.035 0.000 1.072 127 F CA -1.544 56.422 58.000 -0.056 0.000 0.989 127 F CB 0.810 39.784 39.000 -0.044 0.000 1.193 127 F HN 0.009 nan 8.300 nan 0.000 0.481 128 N N 1.142 119.970 118.700 0.214 0.000 2.667 128 N HA -0.147 4.597 4.740 0.006 0.000 0.263 128 N C -2.688 172.943 175.510 0.202 0.000 1.038 128 N CA -0.581 52.582 53.050 0.188 0.000 0.749 128 N CB -1.019 37.573 38.487 0.175 0.000 0.892 128 N HN 0.178 nan 8.380 nan 0.000 0.546 129 P HA -0.018 nan 4.420 nan 0.000 0.253 129 P C -1.962 175.379 177.300 0.068 0.000 1.159 129 P CA -0.129 63.014 63.100 0.070 0.000 0.779 129 P CB 0.317 32.058 31.700 0.068 0.000 0.745 130 P HA 0.258 nan 4.420 nan 0.000 0.279 130 P C -0.525 176.701 177.300 -0.123 0.000 1.282 130 P CA -0.144 62.856 63.100 -0.167 0.000 0.788 130 P CB 0.813 32.436 31.700 -0.130 0.000 1.139 131 I N -0.028 120.464 120.570 -0.131 0.000 2.474 131 I HA 0.302 4.475 4.170 0.006 0.000 0.294 131 I C -0.461 175.894 176.117 0.397 0.000 1.005 131 I CA -0.726 60.635 61.300 0.102 0.000 1.113 131 I CB 0.996 39.048 38.000 0.087 0.000 1.289 131 I HN 0.230 nan 8.210 nan 0.000 0.436 132 Y N 4.170 124.597 120.300 0.212 0.000 2.331 132 Y HA 0.641 5.194 4.550 0.006 0.000 0.334 132 Y C 0.562 176.493 175.900 0.052 0.000 0.960 132 Y CA -2.016 56.202 58.100 0.196 0.000 1.130 132 Y CB 2.030 40.556 38.460 0.110 0.000 1.164 132 Y HN 0.621 nan 8.280 nan 0.000 0.458 133 G N 4.835 113.583 108.800 -0.086 0.000 3.343 133 G HA2 0.495 4.458 3.960 0.006 0.000 0.264 133 G HA3 0.495 4.458 3.960 0.006 0.000 0.264 133 G C -0.195 174.441 174.900 -0.440 0.000 0.884 133 G CA 0.099 44.983 45.100 -0.359 0.000 1.916 133 G HN 0.783 nan 8.290 nan 0.000 0.618 134 A N 1.412 123.868 122.820 -0.605 0.000 2.264 134 A HA 0.613 4.936 4.320 0.006 0.000 0.304 134 A C 0.589 177.678 177.584 -0.826 0.000 1.100 134 A CA -0.440 51.090 52.037 -0.846 0.000 0.839 134 A CB 0.484 18.998 19.000 -0.811 0.000 1.121 134 A HN 0.554 nan 8.150 nan 0.000 0.496 135 D N -0.641 118.968 120.400 -1.318 0.000 2.697 135 D HA -0.124 4.520 4.640 0.006 0.000 0.238 135 D C -0.509 175.033 176.300 -1.262 0.000 1.152 135 D CA 0.992 53.976 54.000 -1.694 0.000 0.666 135 D CB -1.783 38.333 40.800 -1.139 0.000 1.037 135 D HN 0.266 nan 8.370 nan 0.000 0.423 136 V N 1.373 120.760 119.914 -0.879 0.000 2.385 136 V HA 0.102 4.225 4.120 0.006 0.000 0.269 136 V C 0.925 176.907 176.094 -0.187 0.000 1.043 136 V CA -0.845 61.222 62.300 -0.388 0.000 0.906 136 V CB 1.358 33.089 31.823 -0.154 0.000 0.995 136 V HN 0.157 nan 8.190 nan 0.000 0.467 137 N N 4.070 122.754 118.700 -0.027 0.000 2.447 137 N HA 0.442 5.186 4.740 0.006 0.000 0.263 137 N C 0.398 175.963 175.510 0.092 0.000 1.226 137 N CA 1.010 54.145 53.050 0.142 0.000 0.906 137 N CB 1.407 39.968 38.487 0.123 0.000 1.060 137 N HN 1.055 nan 8.380 nan 0.000 0.468 138 G N 0.663 109.530 108.800 0.112 0.000 2.353 138 G HA2 0.101 4.064 3.960 0.006 0.000 0.308 138 G HA3 0.101 4.064 3.960 0.006 0.000 0.308 138 G C -1.301 173.673 174.900 0.123 0.000 1.418 138 G CA -0.821 44.338 45.100 0.098 0.000 0.966 138 G HN 0.425 nan 8.290 nan 0.000 0.638 139 T N -0.015 114.619 114.554 0.133 0.000 2.916 139 T HA 0.681 5.034 4.350 0.006 0.000 0.292 139 T C 0.816 175.642 174.700 0.210 0.000 1.064 139 T CA -0.613 61.606 62.100 0.199 0.000 1.011 139 T CB 1.807 70.773 68.868 0.163 0.000 1.152 139 T HN 0.519 nan 8.240 nan 0.000 0.510 140 L N 0.157 121.555 121.223 0.291 0.000 3.135 140 L HA 0.350 4.694 4.340 0.006 0.000 0.279 140 L C -0.640 176.318 176.870 0.146 0.000 1.200 140 L CA -0.198 54.717 54.840 0.124 0.000 1.016 140 L CB 0.282 42.232 42.059 -0.183 0.000 1.391 140 L HN 0.574 nan 8.230 nan 0.000 0.588 141 Y N 1.756 122.115 120.300 0.099 0.000 2.346 141 Y HA 0.117 4.671 4.550 0.006 0.000 0.330 141 Y C 0.904 176.783 175.900 -0.035 0.000 1.178 141 Y CA -0.379 57.746 58.100 0.042 0.000 1.331 141 Y CB 0.585 39.082 38.460 0.062 0.000 1.253 141 Y HN 0.056 nan 8.280 nan 0.000 0.529 142 E N 3.140 123.338 120.200 -0.005 0.000 2.313 142 E HA 0.092 4.446 4.350 0.006 0.000 0.276 142 E C 0.578 177.141 176.600 -0.062 0.000 1.031 142 E CA -0.493 55.884 56.400 -0.038 0.000 0.857 142 E CB 1.062 30.728 29.700 -0.058 0.000 1.040 142 E HN 0.654 nan 8.360 nan 0.000 0.408 143 K N 1.606 122.043 120.400 0.061 0.000 2.163 143 K HA -0.263 4.060 4.320 0.006 0.000 0.210 143 K C 1.931 178.569 176.600 0.063 0.000 1.048 143 K CA 1.943 58.272 56.287 0.069 0.000 0.928 143 K CB -0.317 32.239 32.500 0.094 0.000 0.716 143 K HN 0.623 nan 8.250 nan 0.000 0.459 144 H N -0.204 118.889 119.070 0.037 0.000 2.495 144 H HA 0.024 4.584 4.556 0.006 0.000 0.287 144 H C 0.478 175.846 175.328 0.067 0.000 1.033 144 H CA 0.331 56.401 56.048 0.037 0.000 1.307 144 H CB -0.897 28.876 29.762 0.018 0.000 1.401 144 H HN -0.137 nan 8.280 nan 0.000 0.555 145 V N 4.165 123.854 119.914 -0.375 0.000 2.441 145 V HA -0.092 4.032 4.120 0.006 0.000 0.279 145 V C 0.486 176.635 176.094 0.091 0.000 0.990 145 V CA 0.691 62.931 62.300 -0.101 0.000 1.116 145 V CB 0.302 32.105 31.823 -0.033 0.000 0.977 145 V HN 0.398 nan 8.190 nan 0.000 0.470 146 D N 3.126 123.606 120.400 0.133 0.000 2.363 146 D HA 0.127 4.770 4.640 0.006 0.000 0.214 146 D C 0.325 176.692 176.300 0.111 0.000 1.093 146 D CA 0.100 54.158 54.000 0.095 0.000 0.837 146 D CB 0.795 41.638 40.800 0.072 0.000 0.948 146 D HN 0.615 nan 8.370 nan 0.000 0.507 147 E N -0.162 120.191 120.200 0.255 0.000 2.145 147 E HA 0.207 4.560 4.350 0.006 0.000 0.270 147 E C -0.620 176.128 176.600 0.246 0.000 0.906 147 E CA -0.687 55.814 56.400 0.169 0.000 0.761 147 E CB 0.553 30.363 29.700 0.184 0.000 1.116 147 E HN -0.055 nan 8.360 nan 0.000 0.408 148 W N 1.602 122.637 121.300 -0.443 0.000 5.963 148 W HA -0.263 4.401 4.660 0.006 0.000 0.400 148 W C -0.001 176.375 176.519 -0.239 0.000 1.530 148 W CA 0.228 57.258 57.345 -0.525 0.000 1.004 148 W CB -1.599 27.379 29.460 -0.803 0.000 2.706 148 W HN 0.436 nan 8.180 nan 0.000 1.495 149 N N 1.581 120.164 118.700 -0.196 0.000 2.406 149 N HA 0.177 4.921 4.740 0.006 0.000 0.251 149 N C 1.215 176.320 175.510 -0.675 0.000 1.069 149 N CA -0.059 52.678 53.050 -0.523 0.000 0.947 149 N CB 0.343 38.669 38.487 -0.269 0.000 1.111 149 N HN 0.247 nan 8.380 nan 0.000 0.497 150 I N 2.213 122.265 120.570 -0.865 0.000 2.530 150 I HA -0.203 3.971 4.170 0.006 0.000 0.257 150 I C 2.052 177.947 176.117 -0.370 0.000 1.179 150 I CA 1.050 62.056 61.300 -0.490 0.000 1.440 150 I CB -0.092 37.764 38.000 -0.241 0.000 1.087 150 I HN 0.579 nan 8.210 nan 0.000 0.440 151 G N 1.354 109.927 108.800 -0.379 0.000 2.464 151 G HA2 -0.136 3.827 3.960 0.006 0.000 0.217 151 G HA3 -0.136 3.827 3.960 0.006 0.000 0.217 151 G C 0.935 175.710 174.900 -0.209 0.000 1.138 151 G CA 0.015 44.982 45.100 -0.221 0.000 0.793 151 G HN 0.525 nan 8.290 nan 0.000 0.539 152 R N -0.408 119.933 120.500 -0.265 0.000 2.754 152 R HA 0.429 4.773 4.340 0.006 0.000 0.255 152 R C 0.124 176.237 176.300 -0.312 0.000 1.723 152 R CA -0.445 55.517 56.100 -0.231 0.000 1.596 152 R CB -0.374 29.832 30.300 -0.157 0.000 1.424 152 R HN 0.069 nan 8.270 nan 0.000 0.662 153 L N 0.957 121.928 121.223 -0.419 0.000 2.395 153 L HA 0.121 4.465 4.340 0.006 0.000 0.218 153 L C 0.273 176.906 176.870 -0.395 0.000 1.130 153 L CA 0.144 54.617 54.840 -0.611 0.000 0.826 153 L CB -0.247 41.222 42.059 -0.983 0.000 0.941 153 L HN 0.590 nan 8.230 nan 0.000 0.451 154 R N -0.297 120.054 120.500 -0.250 0.000 3.531 154 R HA -0.146 4.197 4.340 0.006 0.000 0.280 154 R C 0.379 176.613 176.300 -0.110 0.000 1.130 154 R CA 0.848 56.859 56.100 -0.149 0.000 0.757 154 R CB -2.711 27.513 30.300 -0.126 0.000 1.218 154 R HN 0.508 nan 8.270 nan 0.000 0.454 155 T N -2.548 111.938 114.554 -0.113 0.000 2.849 155 T HA 0.535 4.889 4.350 0.006 0.000 0.276 155 T C 1.666 176.371 174.700 0.008 0.000 0.971 155 T CA -0.459 61.609 62.100 -0.052 0.000 0.949 155 T CB 0.967 69.815 68.868 -0.033 0.000 1.093 155 T HN 0.355 nan 8.240 nan 0.000 0.545 156 I N -0.805 119.796 120.570 0.053 0.000 3.241 156 I HA 0.088 4.261 4.170 0.006 0.000 0.280 156 I C 1.951 178.221 176.117 0.256 0.000 1.320 156 I CA 0.635 62.039 61.300 0.173 0.000 1.413 156 I CB -0.494 37.629 38.000 0.206 0.000 1.060 156 I HN 0.483 nan 8.210 nan 0.000 0.500 157 L N 1.376 122.654 121.223 0.092 0.000 2.265 157 L HA -0.164 4.180 4.340 0.006 0.000 0.215 157 L C 1.700 178.636 176.870 0.110 0.000 1.117 157 L CA 1.543 56.414 54.840 0.052 0.000 0.782 157 L CB -0.539 41.446 42.059 -0.124 0.000 0.914 157 L HN 0.334 nan 8.230 nan 0.000 0.441 158 D N 0.152 120.590 120.400 0.063 0.000 2.221 158 D HA -0.211 4.433 4.640 0.006 0.000 0.204 158 D C 2.274 178.601 176.300 0.045 0.000 0.982 158 D CA 0.835 54.853 54.000 0.030 0.000 0.857 158 D CB -0.106 40.694 40.800 0.000 0.000 0.934 158 D HN 0.369 nan 8.370 nan 0.000 0.475 159 L N 0.334 121.605 121.223 0.079 0.000 2.263 159 L HA -0.173 4.170 4.340 0.006 0.000 0.216 159 L C 2.309 179.159 176.870 -0.033 0.000 1.111 159 L CA 0.488 55.312 54.840 -0.026 0.000 0.773 159 L CB -0.258 41.681 42.059 -0.199 0.000 0.906 159 L HN 0.002 nan 8.230 nan 0.000 0.439 160 V N -0.232 119.728 119.914 0.076 0.000 2.270 160 V HA -0.255 3.868 4.120 0.006 0.000 0.245 160 V C 2.478 178.594 176.094 0.036 0.000 1.043 160 V CA 1.979 64.330 62.300 0.086 0.000 1.014 160 V CB -0.353 31.557 31.823 0.145 0.000 0.645 160 V HN 0.433 nan 8.190 nan 0.000 0.447 161 E N 0.949 121.163 120.200 0.023 0.000 2.031 161 E HA -0.246 4.108 4.350 0.006 0.000 0.193 161 E C 2.096 178.693 176.600 -0.004 0.000 0.994 161 E CA 1.764 58.167 56.400 0.005 0.000 0.800 161 E CB -0.384 29.312 29.700 -0.007 0.000 0.752 161 E HN 0.362 nan 8.360 nan 0.000 0.447 162 K N 0.397 120.790 120.400 -0.011 0.000 2.059 162 K HA -0.233 4.091 4.320 0.006 0.000 0.212 162 K C 2.176 178.760 176.600 -0.027 0.000 1.050 162 K CA 1.993 58.267 56.287 -0.021 0.000 0.927 162 K CB -0.413 32.070 32.500 -0.027 0.000 0.714 162 K HN 0.168 nan 8.250 nan 0.000 0.447 163 E N -0.610 119.569 120.200 -0.034 0.000 2.028 163 E HA -0.070 4.283 4.350 0.006 0.000 0.190 163 E C 1.375 177.966 176.600 -0.014 0.000 0.984 163 E CA 1.794 58.172 56.400 -0.038 0.000 0.800 163 E CB -0.024 29.638 29.700 -0.062 0.000 0.758 163 E HN 0.328 nan 8.360 nan 0.000 0.448 164 S N -2.220 113.481 115.700 0.001 0.000 2.603 164 S HA 0.357 4.830 4.470 0.006 0.000 0.232 164 S C 1.521 176.128 174.600 0.012 0.000 1.016 164 S CA 0.291 58.498 58.200 0.013 0.000 0.976 164 S CB 0.727 63.945 63.200 0.030 0.000 0.921 164 S HN 0.513 nan 8.310 nan 0.000 0.516 165 G N 1.778 110.582 108.800 0.007 0.000 2.189 165 G HA2 -0.273 3.691 3.960 0.006 0.000 0.267 165 G HA3 -0.273 3.691 3.960 0.006 0.000 0.267 165 G C 0.091 174.997 174.900 0.009 0.000 0.975 165 G CA 0.349 45.452 45.100 0.005 0.000 0.644 165 G HN 0.622 nan 8.290 nan 0.000 0.537 166 I N 1.563 122.144 120.570 0.018 0.000 2.598 166 I HA 0.285 4.458 4.170 0.006 0.000 0.284 166 I C 0.751 176.876 176.117 0.013 0.000 1.140 166 I CA 0.653 61.966 61.300 0.022 0.000 1.420 166 I CB 1.021 39.043 38.000 0.037 0.000 1.387 166 I HN 0.071 nan 8.210 nan 0.000 0.553 167 T N 7.680 122.237 114.554 0.006 0.000 2.829 167 T HA 0.654 5.007 4.350 0.006 0.000 0.280 167 T C -0.382 174.311 174.700 -0.013 0.000 0.999 167 T CA -0.459 61.636 62.100 -0.009 0.000 0.983 167 T CB 0.681 69.542 68.868 -0.012 0.000 0.968 167 T HN 0.304 nan 8.240 nan 0.000 0.446 168 I N 3.956 124.504 120.570 -0.036 0.000 2.493 168 I HA 0.276 4.450 4.170 0.006 0.000 0.279 168 I C 0.280 176.327 176.117 -0.118 0.000 1.045 168 I CA -0.812 60.459 61.300 -0.049 0.000 1.106 168 I CB 1.629 39.608 38.000 -0.035 0.000 1.216 168 I HN 0.557 nan 8.210 nan 0.000 0.459 169 E N 4.661 124.791 120.200 -0.117 0.000 2.608 169 E HA 0.079 4.432 4.350 0.006 0.000 0.259 169 E C 1.234 177.432 176.600 -0.671 0.000 0.951 169 E CA 1.011 57.264 56.400 -0.246 0.000 0.945 169 E CB 0.431 30.120 29.700 -0.019 0.000 0.916 169 E HN 0.972 nan 8.360 nan 0.000 0.477 170 G N 1.858 110.015 108.800 -1.071 0.000 2.304 170 G HA2 -0.353 3.610 3.960 0.006 0.000 0.252 170 G HA3 -0.353 3.610 3.960 0.006 0.000 0.252 170 G C 0.909 175.533 174.900 -0.460 0.000 1.014 170 G CA 0.397 44.717 45.100 -1.300 0.000 0.619 170 G HN 0.422 nan 8.290 nan 0.000 0.525 171 V N 1.766 121.493 119.914 -0.312 0.000 2.398 171 V HA 0.087 4.210 4.120 0.006 0.000 0.236 171 V C 1.944 177.948 176.094 -0.150 0.000 1.054 171 V CA 2.239 64.435 62.300 -0.173 0.000 1.060 171 V CB -0.297 31.455 31.823 -0.118 0.000 0.707 171 V HN 0.688 nan 8.190 nan 0.000 0.480 172 N N 0.826 119.447 118.700 -0.132 0.000 2.251 172 N HA 0.065 4.808 4.740 0.006 0.000 0.217 172 N C 0.007 175.449 175.510 -0.113 0.000 1.124 172 N CA 0.395 53.380 53.050 -0.108 0.000 0.843 172 N CB 0.064 38.508 38.487 -0.071 0.000 1.024 172 N HN 0.611 nan 8.380 nan 0.000 0.501 173 T N -3.122 111.343 114.554 -0.148 0.000 2.900 173 T HA 0.536 4.889 4.350 0.006 0.000 0.303 173 T C -3.410 171.196 174.700 -0.157 0.000 1.142 173 T CA -1.828 60.194 62.100 -0.130 0.000 1.007 173 T CB 3.080 71.880 68.868 -0.112 0.000 1.156 173 T HN -0.125 nan 8.240 nan 0.000 0.490 174 P HA 0.309 nan 4.420 nan 0.000 0.277 174 P C -1.261 176.106 177.300 0.113 0.000 1.240 174 P CA -0.490 62.609 63.100 -0.002 0.000 0.798 174 P CB 0.814 32.529 31.700 0.025 0.000 0.979 175 Y N 0.645 120.947 120.300 0.004 0.000 2.499 175 Y HA 0.464 5.018 4.550 0.006 0.000 0.347 175 Y C 0.164 175.999 175.900 -0.108 0.000 0.987 175 Y CA -1.342 56.694 58.100 -0.107 0.000 1.044 175 Y CB 2.467 40.837 38.460 -0.149 0.000 1.245 175 Y HN 0.087 nan 8.280 nan 0.000 0.461 176 L N 3.282 124.395 121.223 -0.184 0.000 2.346 176 L HA 0.463 4.807 4.340 0.006 0.000 0.274 176 L C -1.657 174.836 176.870 -0.629 0.000 1.007 176 L CA -0.974 53.709 54.840 -0.261 0.000 0.818 176 L CB 1.872 43.803 42.059 -0.213 0.000 1.284 176 L HN 0.552 nan 8.230 nan 0.000 0.424 177 Y N 1.852 121.812 120.300 -0.567 0.000 2.326 177 Y HA 0.431 4.985 4.550 0.006 0.000 0.329 177 Y C -0.708 174.778 175.900 -0.690 0.000 0.973 177 Y CA -0.582 57.168 58.100 -0.583 0.000 1.162 177 Y CB 1.385 39.593 38.460 -0.421 0.000 1.147 177 Y HN 0.247 nan 8.280 nan 0.000 0.456 178 F N 2.234 122.043 119.950 -0.235 0.000 2.361 178 F HA 0.705 5.236 4.527 0.006 0.000 0.364 178 F C 0.790 176.641 175.800 0.085 0.000 1.117 178 F CA -0.679 57.187 58.000 -0.222 0.000 1.071 178 F CB 1.319 39.997 39.000 -0.536 0.000 1.188 178 F HN 0.568 nan 8.300 nan 0.000 0.464 179 G N 3.305 112.389 108.800 0.473 0.000 2.788 179 G HA2 0.847 4.810 3.960 0.006 0.000 0.293 179 G HA3 0.847 4.810 3.960 0.006 0.000 0.293 179 G C -1.034 174.222 174.900 0.593 0.000 1.305 179 G CA -1.053 44.428 45.100 0.634 0.000 1.005 179 G HN 0.578 nan 8.290 nan 0.000 0.496 180 M N -1.334 118.500 119.600 0.390 0.000 2.779 180 M HA 0.504 4.987 4.480 0.006 0.000 0.277 180 M C -0.689 175.779 176.300 0.279 0.000 1.284 180 M CA -1.113 54.391 55.300 0.340 0.000 0.801 180 M CB 2.295 35.013 32.600 0.197 0.000 1.712 180 M HN 0.643 nan 8.290 nan 0.000 0.453 181 W N 2.742 124.133 121.300 0.152 0.000 2.343 181 W HA 0.029 4.693 4.660 0.007 0.000 0.337 181 W C -0.211 176.358 176.519 0.083 0.000 1.320 181 W CA 1.011 58.436 57.345 0.133 0.000 1.290 181 W CB 0.442 29.981 29.460 0.132 0.000 1.206 181 W HN 0.940 nan 8.180 nan 0.000 0.565 182 K N 1.488 121.361 120.400 -0.879 0.000 3.500 182 K HA -0.214 4.109 4.320 0.006 0.000 0.313 182 K C 0.425 176.774 176.600 -0.419 0.000 1.338 182 K CA 1.336 57.066 56.287 -0.928 0.000 0.963 182 K CB -1.834 29.961 32.500 -1.175 0.000 1.267 182 K HN 0.693 nan 8.250 nan 0.000 0.448 183 T N -0.247 114.116 114.554 -0.318 0.000 2.907 183 T HA 0.481 4.835 4.350 0.006 0.000 0.298 183 T C 0.288 174.748 174.700 -0.400 0.000 1.017 183 T CA -0.135 61.714 62.100 -0.418 0.000 1.118 183 T CB 1.753 70.188 68.868 -0.722 0.000 0.948 183 T HN 0.225 nan 8.240 nan 0.000 0.531 184 S N 1.232 116.745 115.700 -0.311 0.000 2.661 184 S HA 0.790 5.263 4.470 0.006 0.000 0.285 184 S C -0.917 173.682 174.600 -0.001 0.000 1.138 184 S CA -1.331 56.764 58.200 -0.175 0.000 0.855 184 S CB 1.154 64.265 63.200 -0.149 0.000 1.136 184 S HN 0.893 nan 8.310 nan 0.000 0.484 185 F N -0.252 119.595 119.950 -0.173 0.000 2.467 185 F HA 0.919 5.449 4.527 0.005 0.000 0.336 185 F C 0.200 175.937 175.800 -0.104 0.000 1.123 185 F CA -1.310 56.623 58.000 -0.111 0.000 0.964 185 F CB 0.670 39.587 39.000 -0.139 0.000 1.136 185 F HN 0.841 nan 8.300 nan 0.000 0.447 186 A N 3.089 125.911 122.820 0.004 0.000 2.386 186 A HA 0.244 4.567 4.320 0.006 0.000 0.246 186 A C -0.753 176.889 177.584 0.097 0.000 1.089 186 A CA -0.579 51.458 52.037 0.001 0.000 0.790 186 A CB 0.227 19.269 19.000 0.070 0.000 1.042 186 A HN 0.896 nan 8.150 nan 0.000 0.497 187 W N 1.940 123.309 121.300 0.115 0.000 2.347 187 W HA 0.374 5.037 4.660 0.005 0.000 0.333 187 W C 0.918 177.577 176.519 0.233 0.000 1.383 187 W CA 1.821 59.246 57.345 0.134 0.000 1.283 187 W CB 0.245 29.731 29.460 0.043 0.000 1.253 187 W HN 0.839 nan 8.180 nan 0.000 0.563 188 H N 0.161 119.396 119.070 0.275 0.000 2.935 188 H HA 0.403 4.963 4.556 0.007 0.000 0.297 188 H C -0.954 174.206 175.328 -0.280 0.000 1.423 188 H CA -0.755 55.338 56.048 0.075 0.000 1.161 188 H CB 0.580 30.337 29.762 -0.008 0.000 1.841 188 H HN 0.255 nan 8.280 nan 0.000 0.506 189 T N -0.844 113.438 114.554 -0.453 0.000 2.949 189 T HA 0.419 4.772 4.350 0.006 0.000 0.287 189 T C -0.024 174.640 174.700 -0.059 0.000 1.034 189 T CA -0.979 60.844 62.100 -0.460 0.000 1.018 189 T CB 2.277 70.803 68.868 -0.571 0.000 1.135 189 T HN 0.509 nan 8.240 nan 0.000 0.532 190 E N 1.169 121.381 120.200 0.020 0.000 2.392 190 E HA 0.177 4.530 4.350 0.006 0.000 0.256 190 E C -0.179 176.474 176.600 0.089 0.000 1.145 190 E CA -0.404 56.060 56.400 0.107 0.000 0.929 190 E CB 0.325 30.042 29.700 0.028 0.000 0.998 190 E HN 0.606 nan 8.360 nan 0.000 0.442 191 D N 1.891 122.345 120.400 0.089 0.000 2.488 191 D HA -0.068 4.575 4.640 0.006 0.000 0.238 191 D C 0.995 177.357 176.300 0.103 0.000 1.138 191 D CA 0.437 54.490 54.000 0.089 0.000 0.873 191 D CB 0.426 41.266 40.800 0.066 0.000 1.183 191 D HN 0.258 nan 8.370 nan 0.000 0.458 192 M N 1.187 120.879 119.600 0.154 0.000 2.811 192 M HA -0.261 4.223 4.480 0.006 0.000 0.183 192 M C -0.249 176.257 176.300 0.343 0.000 0.618 192 M CA 0.698 56.147 55.300 0.247 0.000 0.633 192 M CB -1.860 30.928 32.600 0.313 0.000 2.305 192 M HN 0.519 nan 8.290 nan 0.000 0.472 193 D N -0.394 120.138 120.400 0.221 0.000 2.772 193 D HA -0.179 4.465 4.640 0.006 0.000 0.233 193 D C 0.260 176.676 176.300 0.194 0.000 1.143 193 D CA 0.876 54.995 54.000 0.199 0.000 0.700 193 D CB -1.301 39.658 40.800 0.266 0.000 1.076 193 D HN 0.517 nan 8.370 nan 0.000 0.430 194 L N -0.846 120.392 121.223 0.025 0.000 2.505 194 L HA 0.257 4.601 4.340 0.006 0.000 0.226 194 L C 1.148 177.802 176.870 -0.361 0.000 1.211 194 L CA -0.448 54.185 54.840 -0.345 0.000 0.828 194 L CB 0.203 41.946 42.059 -0.527 0.000 1.331 194 L HN -0.081 nan 8.230 nan 0.000 0.513 195 Y N -0.762 119.089 120.300 -0.747 0.000 2.326 195 Y HA 0.397 4.951 4.550 0.006 0.000 0.324 195 Y C 0.486 175.943 175.900 -0.738 0.000 1.291 195 Y CA -0.490 57.062 58.100 -0.914 0.000 1.348 195 Y CB 1.413 38.750 38.460 -1.873 0.000 1.294 195 Y HN 0.493 nan 8.280 nan 0.000 0.525 196 S N 1.351 116.861 115.700 -0.317 0.000 2.564 196 S HA 0.738 5.212 4.470 0.006 0.000 0.274 196 S C -1.333 173.330 174.600 0.105 0.000 1.124 196 S CA -0.858 57.299 58.200 -0.072 0.000 0.869 196 S CB 1.812 65.012 63.200 0.001 0.000 1.105 196 S HN 0.695 nan 8.310 nan 0.000 0.472 197 I N 1.898 122.598 120.570 0.217 0.000 2.608 197 I HA 0.580 4.754 4.170 0.006 0.000 0.295 197 I C -1.568 174.682 176.117 0.221 0.000 1.049 197 I CA -0.612 60.839 61.300 0.252 0.000 1.063 197 I CB 1.811 39.938 38.000 0.212 0.000 1.248 197 I HN 0.854 nan 8.210 nan 0.000 0.424 198 N N 6.200 125.053 118.700 0.255 0.000 2.430 198 N HA 0.246 4.990 4.740 0.006 0.000 0.290 198 N C -2.237 173.416 175.510 0.238 0.000 1.063 198 N CA -0.297 52.881 53.050 0.213 0.000 0.883 198 N CB 1.928 40.539 38.487 0.206 0.000 1.465 198 N HN 0.587 nan 8.380 nan 0.000 0.493 199 Y N 3.796 124.085 120.300 -0.017 0.000 2.328 199 Y HA 0.468 5.021 4.550 0.006 0.000 0.336 199 Y C -0.952 174.703 175.900 -0.407 0.000 0.960 199 Y CA -1.024 56.876 58.100 -0.335 0.000 1.134 199 Y CB 1.017 39.226 38.460 -0.418 0.000 1.166 199 Y HN 0.453 nan 8.280 nan 0.000 0.464 200 L N 7.507 128.133 121.223 -0.995 0.000 2.328 200 L HA 0.248 4.591 4.340 0.006 0.000 0.280 200 L C 1.034 177.257 176.870 -1.078 0.000 1.111 200 L CA 0.333 54.688 54.840 -0.808 0.000 0.909 200 L CB -0.551 41.207 42.059 -0.502 0.000 1.277 200 L HN 0.816 nan 8.230 nan 0.000 0.433 201 H N 4.482 123.037 119.070 -0.858 0.000 2.321 201 H HA -0.127 4.433 4.556 0.006 0.000 0.295 201 H C 0.083 175.073 175.328 -0.563 0.000 1.102 201 H CA 2.175 57.829 56.048 -0.656 0.000 1.266 201 H CB -0.030 29.348 29.762 -0.640 0.000 1.363 201 H HN 0.609 nan 8.280 nan 0.000 0.492 202 F N -3.752 115.959 119.950 -0.398 0.000 2.900 202 F HA 0.506 5.036 4.527 0.006 0.000 0.321 202 F C 0.273 175.932 175.800 -0.235 0.000 1.160 202 F CA -0.473 57.346 58.000 -0.301 0.000 0.890 202 F CB 0.707 39.504 39.000 -0.338 0.000 1.334 202 F HN 0.366 nan 8.300 nan 0.000 0.459 203 G N 0.704 109.656 108.800 0.254 0.000 2.500 203 G HA2 0.208 4.171 3.960 0.006 0.000 0.209 203 G HA3 0.208 4.171 3.960 0.006 0.000 0.209 203 G C -1.251 173.698 174.900 0.081 0.000 1.283 203 G CA -0.491 44.719 45.100 0.184 0.000 0.960 203 G HN 0.885 nan 8.290 nan 0.000 0.528 204 E N 1.043 121.307 120.200 0.108 0.000 2.392 204 E HA 0.434 4.788 4.350 0.006 0.000 0.256 204 E C -1.887 174.693 176.600 -0.033 0.000 1.145 204 E CA -1.212 55.253 56.400 0.108 0.000 0.929 204 E CB -0.117 29.725 29.700 0.236 0.000 0.998 204 E HN 0.312 nan 8.360 nan 0.000 0.442 205 P HA 0.106 nan 4.420 nan 0.000 0.274 205 P C -0.540 176.477 177.300 -0.471 0.000 1.260 205 P CA 0.007 62.869 63.100 -0.398 0.000 0.793 205 P CB 0.496 31.826 31.700 -0.616 0.000 1.048 206 K N 0.585 120.770 120.400 -0.359 0.000 2.507 206 K HA 0.436 4.759 4.320 0.006 0.000 0.252 206 K C -1.102 175.374 176.600 -0.206 0.000 0.943 206 K CA -0.341 55.792 56.287 -0.256 0.000 0.808 206 K CB 0.910 33.329 32.500 -0.135 0.000 1.142 206 K HN 0.298 nan 8.250 nan 0.000 0.426 207 S N 2.825 118.283 115.700 -0.404 0.000 2.578 207 S HA 0.523 4.997 4.470 0.006 0.000 0.283 207 S C -1.343 173.028 174.600 -0.381 0.000 1.195 207 S CA -0.567 57.429 58.200 -0.341 0.000 1.050 207 S CB 0.421 63.365 63.200 -0.427 0.000 1.012 207 S HN 0.436 nan 8.310 nan 0.000 0.511 208 W N 1.347 122.417 121.300 -0.383 0.000 2.844 208 W HA 0.593 5.257 4.660 0.007 0.000 0.340 208 W C -1.212 175.097 176.519 -0.351 0.000 1.093 208 W CA -0.728 56.474 57.345 -0.238 0.000 1.212 208 W CB 0.632 30.088 29.460 -0.007 0.000 1.422 208 W HN 0.527 nan 8.180 nan 0.000 0.515 209 Y N 1.159 121.578 120.300 0.198 0.000 2.446 209 Y HA 0.612 5.166 4.550 0.006 0.000 0.345 209 Y C 0.242 176.343 175.900 0.335 0.000 0.984 209 Y CA -0.906 57.343 58.100 0.249 0.000 1.058 209 Y CB 2.528 41.044 38.460 0.092 0.000 1.220 209 Y HN 0.254 nan 8.280 nan 0.000 0.455 210 S N 1.620 117.725 115.700 0.675 0.000 2.540 210 S HA 0.753 5.226 4.470 0.006 0.000 0.275 210 S C -1.865 173.105 174.600 0.618 0.000 1.123 210 S CA -0.580 57.994 58.200 0.624 0.000 0.907 210 S CB 1.153 64.600 63.200 0.412 0.000 1.081 210 S HN 0.380 nan 8.310 nan 0.000 0.476 211 V N 5.644 125.889 119.914 0.551 0.000 2.448 211 V HA 0.473 4.596 4.120 0.006 0.000 0.295 211 V C -2.338 173.909 176.094 0.255 0.000 1.025 211 V CA -2.070 60.447 62.300 0.361 0.000 0.859 211 V CB 1.674 33.614 31.823 0.196 0.000 0.988 211 V HN 0.735 nan 8.190 nan 0.000 0.431 212 P HA 0.044 nan 4.420 nan 0.000 0.262 212 P C -1.875 175.445 177.300 0.034 0.000 1.182 212 P CA -0.735 62.432 63.100 0.113 0.000 0.761 212 P CB 0.216 32.007 31.700 0.153 0.000 0.795 213 P HA -0.203 nan 4.420 nan 0.000 0.219 213 P C 1.289 178.409 177.300 -0.300 0.000 1.146 213 P CA 1.358 64.375 63.100 -0.138 0.000 0.808 213 P CB 0.001 31.637 31.700 -0.107 0.000 0.779 214 E N -0.614 119.415 120.200 -0.285 0.000 2.209 214 E HA -0.206 4.148 4.350 0.006 0.000 0.196 214 E C 1.036 177.443 176.600 -0.322 0.000 0.993 214 E CA 0.935 57.173 56.400 -0.269 0.000 0.819 214 E CB -0.132 29.373 29.700 -0.324 0.000 0.745 214 E HN 0.374 nan 8.360 nan 0.000 0.477 215 H N -1.785 117.311 119.070 0.043 0.000 2.672 215 H HA 0.199 4.759 4.556 0.006 0.000 0.277 215 H C 1.557 176.908 175.328 0.038 0.000 1.074 215 H CA 0.510 56.589 56.048 0.051 0.000 1.173 215 H CB 0.796 30.578 29.762 0.034 0.000 1.558 215 H HN 0.250 nan 8.280 nan 0.000 0.539 216 G N 1.557 110.438 108.800 0.136 0.000 2.469 216 G HA2 -0.319 3.645 3.960 0.006 0.000 0.219 216 G HA3 -0.319 3.645 3.960 0.006 0.000 0.219 216 G C 1.856 176.830 174.900 0.123 0.000 1.150 216 G CA 0.741 45.880 45.100 0.065 0.000 0.763 216 G HN 0.190 nan 8.290 nan 0.000 0.561 217 K N 0.083 120.661 120.400 0.297 0.000 2.152 217 K HA 0.017 4.341 4.320 0.006 0.000 0.206 217 K C 2.444 179.086 176.600 0.070 0.000 1.048 217 K CA 0.899 57.314 56.287 0.213 0.000 0.933 217 K CB -0.225 32.396 32.500 0.200 0.000 0.721 217 K HN 0.319 nan 8.250 nan 0.000 0.447 218 R N -0.023 120.512 120.500 0.058 0.000 2.075 218 R HA -0.012 4.332 4.340 0.006 0.000 0.232 218 R C 2.140 178.379 176.300 -0.101 0.000 1.126 218 R CA 0.960 57.060 56.100 0.001 0.000 0.963 218 R CB -0.257 30.066 30.300 0.038 0.000 0.858 218 R HN 0.215 nan 8.270 nan 0.000 0.435 219 L N 1.047 122.157 121.223 -0.187 0.000 2.046 219 L HA -0.197 4.147 4.340 0.006 0.000 0.208 219 L C 1.720 178.372 176.870 -0.363 0.000 1.077 219 L CA 1.830 56.450 54.840 -0.368 0.000 0.747 219 L CB -0.288 41.397 42.059 -0.624 0.000 0.896 219 L HN 0.347 nan 8.230 nan 0.000 0.432 220 E N -0.463 119.551 120.200 -0.310 0.000 2.077 220 E HA -0.256 4.098 4.350 0.006 0.000 0.193 220 E C 2.244 178.790 176.600 -0.091 0.000 0.989 220 E CA 1.198 57.475 56.400 -0.206 0.000 0.800 220 E CB -0.016 29.641 29.700 -0.071 0.000 0.746 220 E HN 0.440 nan 8.360 nan 0.000 0.452 221 R N 0.248 120.703 120.500 -0.075 0.000 2.081 221 R HA -0.160 4.184 4.340 0.006 0.000 0.235 221 R C 2.471 178.694 176.300 -0.128 0.000 1.131 221 R CA 1.011 57.072 56.100 -0.065 0.000 0.960 221 R CB -0.353 29.914 30.300 -0.055 0.000 0.856 221 R HN 0.127 nan 8.270 nan 0.000 0.436 222 L N 0.597 121.710 121.223 -0.183 0.000 2.017 222 L HA -0.095 4.248 4.340 0.006 0.000 0.208 222 L C 2.191 178.934 176.870 -0.211 0.000 1.073 222 L CA 2.060 56.716 54.840 -0.306 0.000 0.745 222 L CB -0.659 41.231 42.059 -0.281 0.000 0.894 222 L HN 0.130 nan 8.230 nan 0.000 0.432 223 A N -0.858 121.940 122.820 -0.036 0.000 1.933 223 A HA -0.221 4.103 4.320 0.006 0.000 0.218 223 A C 2.305 180.150 177.584 0.434 0.000 1.175 223 A CA 1.835 54.025 52.037 0.254 0.000 0.628 223 A CB -0.531 18.532 19.000 0.106 0.000 0.814 223 A HN 0.408 nan 8.150 nan 0.000 0.444 224 K N -0.297 120.261 120.400 0.264 0.000 2.057 224 K HA -0.065 4.259 4.320 0.006 0.000 0.207 224 K C 1.971 178.594 176.600 0.038 0.000 1.049 224 K CA 1.428 57.858 56.287 0.238 0.000 0.931 224 K CB -0.781 31.802 32.500 0.139 0.000 0.714 224 K HN 0.425 nan 8.250 nan 0.000 0.440 225 G N -1.196 107.529 108.800 -0.126 0.000 2.443 225 G HA2 -0.189 3.774 3.960 0.006 0.000 0.219 225 G HA3 -0.189 3.774 3.960 0.006 0.000 0.219 225 G C 1.359 176.070 174.900 -0.316 0.000 1.131 225 G CA 0.470 45.400 45.100 -0.284 0.000 0.775 225 G HN 0.270 nan 8.290 nan 0.000 0.547 226 F N -1.075 118.756 119.950 -0.199 0.000 2.387 226 F HA 0.319 4.850 4.527 0.006 0.000 0.294 226 F C 0.481 175.868 175.800 -0.687 0.000 1.093 226 F CA -0.096 57.630 58.000 -0.456 0.000 1.420 226 F CB 0.409 39.082 39.000 -0.546 0.000 1.086 226 F HN -0.032 nan 8.300 nan 0.000 0.531 227 F N 0.844 120.832 119.950 0.064 0.000 2.471 227 F HA 0.295 4.826 4.527 0.006 0.000 0.318 227 F C -1.703 173.942 175.800 -0.258 0.000 1.308 227 F CA -2.353 55.575 58.000 -0.120 0.000 1.162 227 F CB 0.016 38.884 39.000 -0.220 0.000 1.383 227 F HN -0.230 nan 8.300 nan 0.000 0.552 228 P HA -0.146 nan 4.420 nan 0.000 0.216 228 P C 1.762 179.011 177.300 -0.085 0.000 1.150 228 P CA 1.557 64.615 63.100 -0.069 0.000 0.837 228 P CB 0.316 31.984 31.700 -0.054 0.000 0.786 229 G N 0.103 108.864 108.800 -0.065 0.000 2.418 229 G HA2 -0.212 3.752 3.960 0.006 0.000 0.217 229 G HA3 -0.212 3.752 3.960 0.006 0.000 0.217 229 G C 1.752 176.593 174.900 -0.097 0.000 1.158 229 G CA 0.939 46.009 45.100 -0.049 0.000 0.771 229 G HN 0.253 nan 8.290 nan 0.000 0.545 230 S N 1.078 116.641 115.700 -0.228 0.000 2.371 230 S HA 0.084 4.557 4.470 0.006 0.000 0.224 230 S C 2.736 177.084 174.600 -0.421 0.000 1.029 230 S CA 0.933 58.907 58.200 -0.376 0.000 0.978 230 S CB -0.314 62.441 63.200 -0.742 0.000 0.833 230 S HN 0.557 nan 8.310 nan 0.000 0.466 231 A N 1.924 124.423 122.820 -0.535 0.000 2.076 231 A HA -0.200 4.123 4.320 0.006 0.000 0.220 231 A C 2.134 179.740 177.584 0.037 0.000 1.160 231 A CA 1.582 53.567 52.037 -0.087 0.000 0.653 231 A CB -0.543 18.471 19.000 0.024 0.000 0.801 231 A HN 0.751 nan 8.150 nan 0.000 0.455 232 Q N -0.882 118.911 119.800 -0.011 0.000 2.373 232 Q HA -0.007 4.336 4.340 0.006 0.000 0.210 232 Q C 1.739 177.766 176.000 0.045 0.000 0.913 232 Q CA 1.194 57.012 55.803 0.025 0.000 0.911 232 Q CB -0.410 28.333 28.738 0.009 0.000 1.040 232 Q HN 0.582 nan 8.270 nan 0.000 0.521 233 S N -0.567 115.161 115.700 0.047 0.000 2.522 233 S HA 0.098 4.572 4.470 0.006 0.000 0.227 233 S C 0.538 175.215 174.600 0.127 0.000 0.986 233 S CA -0.014 58.235 58.200 0.081 0.000 0.929 233 S CB 0.177 63.429 63.200 0.087 0.000 0.769 233 S HN 0.489 nan 8.310 nan 0.000 0.529 234 C N 0.784 120.168 119.300 0.139 0.000 2.931 234 C HA 0.440 4.904 4.460 0.006 0.000 0.370 234 C C 1.149 176.232 174.990 0.155 0.000 1.071 234 C CA -0.635 58.479 59.018 0.161 0.000 1.266 234 C CB 1.055 28.919 27.740 0.207 0.000 1.691 234 C HN 0.543 nan 8.230 nan 0.000 0.511 235 E N 2.815 123.089 120.200 0.124 0.000 2.038 235 E HA -0.118 4.235 4.350 0.006 0.000 0.195 235 E C 1.108 177.779 176.600 0.119 0.000 1.000 235 E CA 1.608 58.078 56.400 0.116 0.000 0.803 235 E CB 0.086 29.841 29.700 0.092 0.000 0.750 235 E HN 0.743 nan 8.360 nan 0.000 0.448 236 A N 1.072 123.938 122.820 0.077 0.000 3.232 236 A HA 0.234 4.557 4.320 0.006 0.000 0.312 236 A C 0.728 178.232 177.584 -0.134 0.000 1.185 236 A CA -0.530 51.509 52.037 0.004 0.000 1.011 236 A CB -0.903 18.122 19.000 0.042 0.000 1.096 236 A HN 0.368 nan 8.150 nan 0.000 0.543 237 F N -0.449 119.363 119.950 -0.229 0.000 2.250 237 F HA -0.159 4.371 4.527 0.006 0.000 0.301 237 F C 1.178 176.716 175.800 -0.436 0.000 1.077 237 F CA 1.196 58.853 58.000 -0.572 0.000 1.348 237 F CB -0.577 38.245 39.000 -0.298 0.000 1.040 237 F HN 0.296 nan 8.300 nan 0.000 0.509 238 L N 0.383 121.110 121.223 -0.827 0.000 2.265 238 L HA -0.116 4.227 4.340 0.006 0.000 0.215 238 L C 2.529 179.345 176.870 -0.090 0.000 1.117 238 L CA 1.033 55.603 54.840 -0.449 0.000 0.782 238 L CB -0.632 41.224 42.059 -0.339 0.000 0.914 238 L HN 0.197 nan 8.230 nan 0.000 0.441 239 R N -0.951 119.498 120.500 -0.086 0.000 2.285 239 R HA -0.101 4.243 4.340 0.006 0.000 0.213 239 R C 1.772 178.153 176.300 0.136 0.000 1.068 239 R CA 0.617 56.748 56.100 0.053 0.000 1.004 239 R CB -0.291 30.052 30.300 0.071 0.000 0.873 239 R HN 0.581 nan 8.270 nan 0.000 0.467 240 H N 0.648 119.756 119.070 0.063 0.000 2.521 240 H HA 0.031 4.591 4.556 0.007 0.000 0.286 240 H C 0.178 175.514 175.328 0.015 0.000 1.034 240 H CA 0.096 56.174 56.048 0.049 0.000 1.278 240 H CB 0.164 29.967 29.762 0.068 0.000 1.386 240 H HN -0.027 nan 8.280 nan 0.000 0.567 241 K N -0.383 120.092 120.400 0.125 0.000 3.150 241 K HA -0.224 4.100 4.320 0.006 0.000 0.267 241 K C 0.008 176.633 176.600 0.040 0.000 1.028 241 K CA 0.601 56.920 56.287 0.054 0.000 0.753 241 K CB -1.067 31.411 32.500 -0.036 0.000 1.288 241 K HN 0.459 nan 8.250 nan 0.000 0.473 242 M N -0.854 118.768 119.600 0.037 0.000 2.300 242 M HA 0.023 4.507 4.480 0.006 0.000 0.313 242 M C -0.164 176.102 176.300 -0.057 0.000 0.988 242 M CA 0.159 55.433 55.300 -0.043 0.000 1.012 242 M CB 1.304 33.833 32.600 -0.119 0.000 1.586 242 M HN -0.024 nan 8.290 nan 0.000 0.562 243 T N 2.577 117.128 114.554 -0.006 0.000 2.749 243 T HA 0.615 4.969 4.350 0.006 0.000 0.287 243 T C -0.390 174.433 174.700 0.205 0.000 0.970 243 T CA -0.245 61.845 62.100 -0.017 0.000 0.980 243 T CB 1.286 70.100 68.868 -0.090 0.000 0.924 243 T HN 0.119 nan 8.240 nan 0.000 0.456 244 L N 4.444 125.840 121.223 0.288 0.000 2.322 244 L HA 0.664 5.007 4.340 0.006 0.000 0.281 244 L C -0.520 176.697 176.870 0.579 0.000 1.014 244 L CA -0.916 54.203 54.840 0.465 0.000 0.815 244 L CB 1.511 43.806 42.059 0.393 0.000 1.247 244 L HN 0.524 nan 8.230 nan 0.000 0.421 245 I N 1.890 122.845 120.570 0.641 0.000 2.512 245 I HA 0.227 4.401 4.170 0.006 0.000 0.287 245 I C 0.255 176.381 176.117 0.014 0.000 1.069 245 I CA -0.434 61.033 61.300 0.277 0.000 1.056 245 I CB 2.334 40.346 38.000 0.019 0.000 1.229 245 I HN 0.655 nan 8.210 nan 0.000 0.429 246 S N 6.723 122.113 115.700 -0.517 0.000 2.593 246 S HA 0.312 4.785 4.470 0.006 0.000 0.269 246 S C -1.489 172.588 174.600 -0.873 0.000 1.334 246 S CA -0.842 56.492 58.200 -1.444 0.000 1.015 246 S CB 0.793 63.144 63.200 -1.415 0.000 0.912 246 S HN 0.527 nan 8.310 nan 0.000 0.541 247 P HA -0.081 nan 4.420 nan 0.000 0.220 247 P C 1.532 178.663 177.300 -0.282 0.000 1.148 247 P CA 0.928 63.633 63.100 -0.658 0.000 0.803 247 P CB -0.071 31.467 31.700 -0.271 0.000 0.782 248 L N -1.592 119.468 121.223 -0.271 0.000 2.093 248 L HA -0.100 4.244 4.340 0.006 0.000 0.208 248 L C 2.771 179.597 176.870 -0.074 0.000 1.085 248 L CA 1.168 55.943 54.840 -0.108 0.000 0.755 248 L CB -0.801 41.186 42.059 -0.119 0.000 0.904 248 L HN -0.057 nan 8.230 nan 0.000 0.435 249 M N -0.411 119.104 119.600 -0.142 0.000 2.175 249 M HA -0.141 4.342 4.480 0.006 0.000 0.264 249 M C 2.289 178.652 176.300 0.106 0.000 1.063 249 M CA 1.617 56.916 55.300 -0.003 0.000 1.119 249 M CB -0.756 31.774 32.600 -0.117 0.000 1.377 249 M HN 0.242 nan 8.290 nan 0.000 0.415 250 L N -0.704 120.484 121.223 -0.059 0.000 2.093 250 L HA -0.211 4.133 4.340 0.006 0.000 0.208 250 L C 2.518 179.487 176.870 0.166 0.000 1.085 250 L CA 1.095 55.929 54.840 -0.010 0.000 0.755 250 L CB -0.686 41.221 42.059 -0.253 0.000 0.904 250 L HN 0.306 nan 8.230 nan 0.000 0.435 251 K N 1.088 121.612 120.400 0.206 0.000 2.026 251 K HA -0.247 4.076 4.320 0.006 0.000 0.208 251 K C 2.237 178.880 176.600 0.070 0.000 1.048 251 K CA 1.555 57.964 56.287 0.204 0.000 0.929 251 K CB -0.016 32.603 32.500 0.199 0.000 0.713 251 K HN 0.067 nan 8.250 nan 0.000 0.439 252 K N -0.388 120.027 120.400 0.024 0.000 2.152 252 K HA -0.179 4.144 4.320 0.006 0.000 0.206 252 K C 0.665 177.065 176.600 -0.334 0.000 1.048 252 K CA 1.479 57.679 56.287 -0.144 0.000 0.933 252 K CB -0.026 32.375 32.500 -0.165 0.000 0.721 252 K HN 0.243 nan 8.250 nan 0.000 0.447 253 Y N -0.115 120.190 120.300 0.009 0.000 2.658 253 Y HA 0.259 4.812 4.550 0.006 0.000 0.276 253 Y C 0.928 176.814 175.900 -0.024 0.000 1.167 253 Y CA 0.094 58.188 58.100 -0.009 0.000 1.230 253 Y CB 0.883 39.337 38.460 -0.009 0.000 1.144 253 Y HN 0.257 nan 8.280 nan 0.000 0.529 254 G N 1.367 110.198 108.800 0.053 0.000 2.283 254 G HA2 -0.313 3.650 3.960 0.006 0.000 0.280 254 G HA3 -0.313 3.650 3.960 0.006 0.000 0.280 254 G C 0.005 174.911 174.900 0.009 0.000 1.029 254 G CA 0.117 45.227 45.100 0.018 0.000 0.840 254 G HN 0.426 nan 8.290 nan 0.000 0.505 255 I N 2.324 122.931 120.570 0.061 0.000 2.291 255 I HA 0.215 4.388 4.170 0.006 0.000 0.290 255 I C -1.488 174.696 176.117 0.113 0.000 1.050 255 I CA -2.183 59.130 61.300 0.023 0.000 1.245 255 I CB 1.207 39.197 38.000 -0.017 0.000 1.405 255 I HN -0.028 nan 8.210 nan 0.000 0.478 256 P HA 0.142 nan 4.420 nan 0.000 0.268 256 P C -0.966 176.471 177.300 0.228 0.000 1.205 256 P CA 0.393 63.502 63.100 0.014 0.000 0.771 256 P CB 0.545 32.150 31.700 -0.158 0.000 0.858 257 F N -0.537 119.468 119.950 0.091 0.000 2.817 257 F HA 0.738 5.269 4.527 0.007 0.000 0.317 257 F C -1.934 173.985 175.800 0.199 0.000 1.168 257 F CA -1.052 57.059 58.000 0.185 0.000 0.911 257 F CB 1.178 40.329 39.000 0.252 0.000 1.337 257 F HN 0.160 nan 8.300 nan 0.000 0.464 258 D N 0.312 120.968 120.400 0.427 0.000 2.570 258 D HA 0.491 5.134 4.640 0.006 0.000 0.244 258 D C -1.834 174.744 176.300 0.464 0.000 1.178 258 D CA -0.537 53.612 54.000 0.248 0.000 0.881 258 D CB 2.759 43.638 40.800 0.132 0.000 1.453 258 D HN 0.823 nan 8.370 nan 0.000 0.447 259 K N -0.312 120.265 120.400 0.295 0.000 2.385 259 K HA 0.824 5.147 4.320 0.006 0.000 0.248 259 K C -1.453 175.153 176.600 0.009 0.000 0.955 259 K CA -1.010 55.383 56.287 0.177 0.000 0.816 259 K CB 2.717 35.342 32.500 0.208 0.000 1.250 259 K HN 0.143 nan 8.250 nan 0.000 0.434 260 V N 0.560 120.425 119.914 -0.081 0.000 3.077 260 V HA 0.403 4.527 4.120 0.006 0.000 0.299 260 V C -1.724 174.273 176.094 -0.162 0.000 1.276 260 V CA -0.258 61.965 62.300 -0.129 0.000 0.993 260 V CB 2.699 34.468 31.823 -0.090 0.000 1.076 260 V HN 0.979 nan 8.190 nan 0.000 0.434 261 T N 5.294 119.717 114.554 -0.218 0.000 2.779 261 T HA 0.424 4.777 4.350 0.006 0.000 0.280 261 T C -0.705 173.923 174.700 -0.119 0.000 0.987 261 T CA -0.121 61.865 62.100 -0.191 0.000 0.966 261 T CB 1.278 69.976 68.868 -0.284 0.000 0.933 261 T HN 0.791 nan 8.240 nan 0.000 0.442 262 Q N 2.854 122.623 119.800 -0.052 0.000 2.257 262 Q HA 0.309 4.653 4.340 0.006 0.000 0.255 262 Q C -0.663 175.266 176.000 -0.119 0.000 0.920 262 Q CA -0.458 55.303 55.803 -0.070 0.000 0.927 262 Q CB 0.881 29.649 28.738 0.049 0.000 1.229 262 Q HN 0.604 nan 8.270 nan 0.000 0.433 263 E N 1.457 121.583 120.200 -0.123 0.000 2.235 263 E HA 0.487 4.841 4.350 0.006 0.000 0.265 263 E C -0.863 175.639 176.600 -0.164 0.000 0.940 263 E CA -0.898 55.429 56.400 -0.122 0.000 0.819 263 E CB 1.592 31.251 29.700 -0.069 0.000 1.206 263 E HN 0.798 nan 8.360 nan 0.000 0.409 264 A N 0.547 123.275 122.820 -0.152 0.000 2.587 264 A HA 0.284 4.608 4.320 0.006 0.000 0.235 264 A C 1.215 178.683 177.584 -0.192 0.000 1.044 264 A CA 1.224 53.140 52.037 -0.202 0.000 0.754 264 A CB -0.695 18.256 19.000 -0.083 0.000 0.968 264 A HN 0.890 nan 8.150 nan 0.000 0.509 265 G N 1.451 110.040 108.800 -0.352 0.000 2.179 265 G HA2 -0.204 3.759 3.960 0.006 0.000 0.260 265 G HA3 -0.204 3.759 3.960 0.006 0.000 0.260 265 G C -0.043 174.798 174.900 -0.100 0.000 0.977 265 G CA 0.633 45.650 45.100 -0.139 0.000 0.641 265 G HN 0.938 nan 8.290 nan 0.000 0.533 266 E N -0.766 119.265 120.200 -0.281 0.000 2.207 266 E HA 0.662 5.016 4.350 0.006 0.000 0.270 266 E C -0.742 175.751 176.600 -0.179 0.000 0.927 266 E CA -0.872 55.438 56.400 -0.150 0.000 0.799 266 E CB 1.196 30.823 29.700 -0.120 0.000 1.172 266 E HN 0.140 nan 8.360 nan 0.000 0.404 267 F N 1.666 121.676 119.950 0.099 0.000 2.422 267 F HA 0.395 4.925 4.527 0.006 0.000 0.333 267 F C 0.288 176.099 175.800 0.017 0.000 1.095 267 F CA -0.714 57.392 58.000 0.176 0.000 1.038 267 F CB 1.014 40.216 39.000 0.336 0.000 1.156 267 F HN 0.128 nan 8.300 nan 0.000 0.483 268 M N 4.117 123.800 119.600 0.138 0.000 2.535 268 M HA 0.521 5.005 4.480 0.006 0.000 0.314 268 M C -0.911 175.329 176.300 -0.100 0.000 1.153 268 M CA -0.676 54.501 55.300 -0.206 0.000 0.924 268 M CB 2.149 34.272 32.600 -0.796 0.000 1.710 268 M HN 0.436 nan 8.290 nan 0.000 0.451 269 I N 1.608 122.076 120.570 -0.171 0.000 2.499 269 I HA 0.375 4.549 4.170 0.006 0.000 0.288 269 I C -0.037 175.853 176.117 -0.379 0.000 1.048 269 I CA -0.498 60.694 61.300 -0.180 0.000 1.062 269 I CB 2.491 40.412 38.000 -0.132 0.000 1.238 269 I HN 0.726 nan 8.210 nan 0.000 0.426 270 T N 2.630 116.943 114.554 -0.401 0.000 2.859 270 T HA 0.665 5.018 4.350 0.006 0.000 0.281 270 T C -0.565 173.818 174.700 -0.529 0.000 1.005 270 T CA -0.451 61.413 62.100 -0.394 0.000 1.025 270 T CB 1.113 69.695 68.868 -0.476 0.000 0.977 270 T HN 0.130 nan 8.240 nan 0.000 0.458 271 F N 1.671 121.469 119.950 -0.254 0.000 2.450 271 F HA 0.537 5.068 4.527 0.006 0.000 0.328 271 F C -2.149 173.312 175.800 -0.566 0.000 1.068 271 F CA -2.773 54.928 58.000 -0.499 0.000 1.007 271 F CB 0.737 39.558 39.000 -0.298 0.000 1.251 271 F HN 0.366 nan 8.300 nan 0.000 0.492 272 P HA -0.106 nan 4.420 nan 0.000 0.260 272 P C -0.541 176.544 177.300 -0.358 0.000 1.172 272 P CA 0.863 63.582 63.100 -0.636 0.000 0.760 272 P CB -0.145 30.868 31.700 -1.145 0.000 0.773 273 Y N 1.695 121.835 120.300 -0.266 0.000 4.177 273 Y HA -0.224 4.329 4.550 0.006 0.000 0.227 273 Y C 0.555 176.378 175.900 -0.130 0.000 1.154 273 Y CA 1.266 59.283 58.100 -0.139 0.000 1.887 273 Y CB -1.670 36.846 38.460 0.094 0.000 1.594 273 Y HN 0.463 nan 8.280 nan 0.000 0.668 274 G N 1.087 109.785 108.800 -0.170 0.000 2.356 274 G HA2 0.403 4.366 3.960 0.006 0.000 0.312 274 G HA3 0.403 4.366 3.960 0.006 0.000 0.312 274 G C -0.872 174.038 174.900 0.017 0.000 1.096 274 G CA -0.418 44.661 45.100 -0.035 0.000 0.950 274 G HN 0.281 nan 8.290 nan 0.000 0.428 275 Y N 3.559 123.884 120.300 0.042 0.000 2.377 275 Y HA 0.285 4.838 4.550 0.006 0.000 0.330 275 Y C 1.250 177.439 175.900 0.482 0.000 1.108 275 Y CA 0.220 58.413 58.100 0.155 0.000 1.308 275 Y CB 0.750 39.273 38.460 0.105 0.000 1.216 275 Y HN 0.657 nan 8.280 nan 0.000 0.518 276 H N 0.896 120.193 119.070 0.380 0.000 2.985 276 H HA 0.938 5.497 4.556 0.006 0.000 0.360 276 H C -1.583 173.590 175.328 -0.258 0.000 1.221 276 H CA -1.416 54.739 56.048 0.178 0.000 1.121 276 H CB 1.426 31.392 29.762 0.341 0.000 1.854 276 H HN 0.668 nan 8.280 nan 0.000 0.551 277 A N 0.008 122.467 122.820 -0.602 0.000 2.599 277 A HA 0.849 5.173 4.320 0.006 0.000 0.290 277 A C -0.542 176.273 177.584 -1.283 0.000 1.101 277 A CA -0.215 51.143 52.037 -1.132 0.000 0.674 277 A CB 1.689 19.625 19.000 -1.774 0.000 1.277 277 A HN 1.455 nan 8.150 nan 0.000 0.419 278 G N -1.438 106.196 108.800 -1.943 0.000 2.325 278 G HA2 0.723 4.687 3.960 0.006 0.000 0.295 278 G HA3 0.723 4.687 3.960 0.006 0.000 0.295 278 G C -1.333 172.976 174.900 -0.985 0.000 1.274 278 G CA 0.259 44.550 45.100 -1.348 0.000 0.857 278 G HN 2.149 nan 8.290 nan 0.000 0.499 279 F N -1.421 118.141 119.950 -0.646 0.000 2.668 279 F HA 0.740 5.270 4.527 0.006 0.000 0.309 279 F C -1.063 174.597 175.800 -0.233 0.000 1.117 279 F CA -1.623 56.051 58.000 -0.543 0.000 0.951 279 F CB 1.130 39.462 39.000 -1.113 0.000 1.323 279 F HN 0.373 nan 8.300 nan 0.000 0.451 280 N N 0.812 119.525 118.700 0.021 0.000 2.473 280 N HA 0.183 4.927 4.740 0.006 0.000 0.291 280 N C 0.236 176.045 175.510 0.497 0.000 1.083 280 N CA -0.436 52.689 53.050 0.125 0.000 0.951 280 N CB 1.047 39.560 38.487 0.043 0.000 1.164 280 N HN 0.735 nan 8.380 nan 0.000 0.480 281 H N 0.502 119.758 119.070 0.310 0.000 2.395 281 H HA 0.156 4.715 4.556 0.006 0.000 0.299 281 H C 1.372 177.015 175.328 0.525 0.000 1.070 281 H CA 0.960 57.310 56.048 0.503 0.000 1.356 281 H CB 0.191 30.134 29.762 0.301 0.000 1.401 281 H HN 0.745 nan 8.280 nan 0.000 0.524 282 G N -1.660 107.442 108.800 0.503 0.000 2.500 282 G HA2 0.207 4.171 3.960 0.006 0.000 0.299 282 G HA3 0.207 4.171 3.960 0.006 0.000 0.299 282 G C -1.397 173.741 174.900 0.398 0.000 1.242 282 G CA -0.821 44.547 45.100 0.446 0.000 0.859 282 G HN 0.087 nan 8.290 nan 0.000 0.481 283 F N 2.984 123.092 119.950 0.264 0.000 2.602 283 F HA 0.443 4.973 4.527 0.006 0.000 0.385 283 F C 0.347 176.317 175.800 0.282 0.000 1.063 283 F CA -0.087 58.090 58.000 0.295 0.000 1.233 283 F CB 0.033 39.195 39.000 0.270 0.000 1.067 283 F HN 0.796 nan 8.300 nan 0.000 0.564 284 N N 4.282 122.726 118.700 -0.426 0.000 3.227 284 N HA 0.353 5.096 4.740 0.006 0.000 0.241 284 N C -2.052 173.050 175.510 -0.681 0.000 1.480 284 N CA -0.899 51.843 53.050 -0.513 0.000 0.886 284 N CB 1.163 39.501 38.487 -0.248 0.000 1.406 284 N HN 0.689 nan 8.380 nan 0.000 0.514 285 C N 0.470 119.188 119.300 -0.969 0.000 2.535 285 C HA 0.969 5.432 4.460 0.006 0.000 0.319 285 C C -0.956 173.616 174.990 -0.695 0.000 1.171 285 C CA 0.166 58.591 59.018 -0.988 0.000 1.394 285 C CB 0.056 26.939 27.740 -1.429 0.000 1.990 285 C HN 1.013 nan 8.230 nan 0.000 0.466 286 A N 4.208 126.754 122.820 -0.457 0.000 2.498 286 A HA 0.871 5.194 4.320 0.006 0.000 0.298 286 A C -1.228 176.328 177.584 -0.046 0.000 1.075 286 A CA -0.415 51.462 52.037 -0.267 0.000 0.714 286 A CB 1.464 20.322 19.000 -0.236 0.000 1.299 286 A HN 0.937 nan 8.150 nan 0.000 0.407 287 E N 0.372 120.591 120.200 0.033 0.000 2.266 287 E HA 0.693 5.047 4.350 0.006 0.000 0.268 287 E C -0.660 176.072 176.600 0.219 0.000 0.879 287 E CA -0.335 56.189 56.400 0.207 0.000 0.762 287 E CB 1.681 31.591 29.700 0.350 0.000 1.199 287 E HN 1.013 nan 8.360 nan 0.000 0.422 288 S N 2.251 118.113 115.700 0.269 0.000 2.615 288 S HA 0.719 5.192 4.470 0.006 0.000 0.269 288 S C -0.903 173.795 174.600 0.162 0.000 1.161 288 S CA -0.548 57.778 58.200 0.211 0.000 0.817 288 S CB 2.119 65.419 63.200 0.167 0.000 1.131 288 S HN 0.513 nan 8.310 nan 0.000 0.467 289 T N 0.417 115.026 114.554 0.090 0.000 2.700 289 T HA 0.482 4.835 4.350 0.006 0.000 0.307 289 T C -1.908 172.805 174.700 0.022 0.000 1.580 289 T CA -0.695 61.408 62.100 0.005 0.000 0.992 289 T CB 1.209 70.044 68.868 -0.056 0.000 1.577 289 T HN 0.728 nan 8.240 nan 0.000 0.496 290 N N 0.541 119.218 118.700 -0.039 0.000 2.485 290 N HA 0.807 5.551 4.740 0.006 0.000 0.280 290 N C -0.904 174.587 175.510 -0.031 0.000 1.205 290 N CA -0.264 52.737 53.050 -0.081 0.000 0.959 290 N CB 1.335 39.724 38.487 -0.162 0.000 1.206 290 N HN 0.647 nan 8.380 nan 0.000 0.545 291 F N -2.278 117.522 119.950 -0.250 0.000 2.741 291 F HA 0.824 5.355 4.527 0.006 0.000 0.313 291 F C -1.549 174.002 175.800 -0.416 0.000 1.153 291 F CA -1.236 56.573 58.000 -0.318 0.000 0.931 291 F CB 0.831 39.654 39.000 -0.295 0.000 1.335 291 F HN 0.491 nan 8.300 nan 0.000 0.460 292 A N 0.649 123.324 122.820 -0.240 0.000 2.430 292 A HA 0.933 5.257 4.320 0.006 0.000 0.300 292 A C -1.001 176.499 177.584 -0.141 0.000 1.124 292 A CA -0.726 51.076 52.037 -0.392 0.000 0.766 292 A CB 1.771 20.378 19.000 -0.654 0.000 1.328 292 A HN 0.963 nan 8.150 nan 0.000 0.424 293 T N -0.710 113.841 114.554 -0.004 0.000 2.841 293 T HA 0.369 4.723 4.350 0.006 0.000 0.296 293 T C 1.068 175.804 174.700 0.059 0.000 1.166 293 T CA -0.659 61.434 62.100 -0.010 0.000 1.007 293 T CB 1.549 70.397 68.868 -0.033 0.000 1.253 293 T HN 0.610 nan 8.240 nan 0.000 0.511 294 R N 0.368 120.825 120.500 -0.071 0.000 2.096 294 R HA -0.010 4.333 4.340 0.006 0.000 0.235 294 R C 2.322 178.607 176.300 -0.025 0.000 1.127 294 R CA 1.084 57.089 56.100 -0.158 0.000 0.968 294 R CB -0.109 30.088 30.300 -0.171 0.000 0.861 294 R HN 0.408 nan 8.270 nan 0.000 0.440 295 R N 0.171 120.710 120.500 0.065 0.000 2.193 295 R HA -0.191 4.153 4.340 0.006 0.000 0.229 295 R C 1.888 178.316 176.300 0.214 0.000 1.110 295 R CA 1.369 57.538 56.100 0.116 0.000 0.988 295 R CB -0.215 30.165 30.300 0.133 0.000 0.871 295 R HN 0.343 nan 8.270 nan 0.000 0.458 296 W N 0.923 122.275 121.300 0.087 0.000 2.402 296 W HA -0.076 4.588 4.660 0.006 0.000 0.286 296 W C 1.291 177.819 176.519 0.015 0.000 1.221 296 W CA 0.949 58.335 57.345 0.067 0.000 1.257 296 W CB -0.201 29.274 29.460 0.024 0.000 1.120 296 W HN -0.006 nan 8.180 nan 0.000 0.551 297 I N 0.993 121.257 120.570 -0.510 0.000 2.113 297 I HA -0.413 3.761 4.170 0.006 0.000 0.242 297 I C 2.597 178.272 176.117 -0.737 0.000 1.057 297 I CA 1.938 62.733 61.300 -0.842 0.000 1.314 297 I CB -0.727 37.045 38.000 -0.380 0.000 1.022 297 I HN -0.020 nan 8.210 nan 0.000 0.408 298 E N 0.243 120.179 120.200 -0.438 0.000 2.085 298 E HA -0.224 4.129 4.350 0.006 0.000 0.194 298 E C 2.171 178.512 176.600 -0.431 0.000 0.994 298 E CA 1.691 57.852 56.400 -0.398 0.000 0.801 298 E CB -0.402 29.084 29.700 -0.357 0.000 0.743 298 E HN 0.561 nan 8.360 nan 0.000 0.453 299 Y N 0.241 120.264 120.300 -0.461 0.000 2.181 299 Y HA -0.151 4.402 4.550 0.006 0.000 0.288 299 Y C 2.530 178.169 175.900 -0.435 0.000 1.146 299 Y CA 1.367 59.252 58.100 -0.359 0.000 1.164 299 Y CB -0.839 37.488 38.460 -0.221 0.000 0.982 299 Y HN 0.137 nan 8.280 nan 0.000 0.515 300 G N 0.025 108.373 108.800 -0.752 0.000 2.442 300 G HA2 -0.253 3.710 3.960 0.006 0.000 0.219 300 G HA3 -0.253 3.710 3.960 0.006 0.000 0.219 300 G C 1.629 176.339 174.900 -0.317 0.000 1.141 300 G CA 1.000 45.699 45.100 -0.668 0.000 0.763 300 G HN 0.328 nan 8.290 nan 0.000 0.554 301 K N -0.124 120.059 120.400 -0.362 0.000 2.211 301 K HA -0.026 4.298 4.320 0.006 0.000 0.203 301 K C 2.199 178.785 176.600 -0.025 0.000 1.050 301 K CA 0.986 57.182 56.287 -0.151 0.000 0.945 301 K CB 0.010 32.366 32.500 -0.240 0.000 0.732 301 K HN 0.373 nan 8.250 nan 0.000 0.451 302 Q N -0.100 119.645 119.800 -0.092 0.000 2.219 302 Q HA 0.219 4.563 4.340 0.006 0.000 0.209 302 Q C -0.344 175.639 176.000 -0.029 0.000 0.854 302 Q CA -0.445 55.324 55.803 -0.058 0.000 0.960 302 Q CB 1.201 29.862 28.738 -0.129 0.000 1.116 302 Q HN 0.146 nan 8.270 nan 0.000 0.500 303 A N 1.064 123.888 122.820 0.007 0.000 2.548 303 A HA 0.192 4.516 4.320 0.006 0.000 0.247 303 A C 0.163 177.791 177.584 0.074 0.000 1.067 303 A CA -0.070 52.005 52.037 0.063 0.000 0.757 303 A CB 0.247 19.319 19.000 0.119 0.000 0.996 303 A HN 0.115 nan 8.150 nan 0.000 0.504 304 V N 5.296 125.258 119.914 0.081 0.000 2.427 304 V HA 0.189 4.312 4.120 0.006 0.000 0.268 304 V C 0.423 176.577 176.094 0.100 0.000 1.046 304 V CA 0.104 62.454 62.300 0.084 0.000 0.970 304 V CB 0.238 32.113 31.823 0.087 0.000 1.001 304 V HN 0.689 nan 8.190 nan 0.000 0.476 305 L N 4.515 125.795 121.223 0.095 0.000 2.375 305 L HA 0.505 4.848 4.340 0.006 0.000 0.268 305 L C 0.553 177.482 176.870 0.098 0.000 1.058 305 L CA -0.528 54.372 54.840 0.101 0.000 0.803 305 L CB 1.500 43.621 42.059 0.104 0.000 1.212 305 L HN 0.789 nan 8.230 nan 0.000 0.451 306 C N 0.949 120.314 119.300 0.107 0.000 2.648 306 C HA 0.214 4.678 4.460 0.006 0.000 0.419 306 C C 1.661 176.728 174.990 0.129 0.000 1.352 306 C CA 0.105 59.197 59.018 0.125 0.000 1.816 306 C CB 0.225 28.067 27.740 0.170 0.000 2.598 306 C HN 0.974 nan 8.230 nan 0.000 0.598 307 S N 4.668 120.445 115.700 0.129 0.000 2.398 307 S HA -0.094 4.379 4.470 0.006 0.000 0.220 307 S C 2.058 176.726 174.600 0.113 0.000 1.046 307 S CA 0.929 59.194 58.200 0.109 0.000 0.953 307 S CB -1.320 61.934 63.200 0.091 0.000 0.856 307 S HN 1.261 nan 8.310 nan 0.000 0.506 308 C N 3.312 122.694 119.300 0.137 0.000 2.359 308 C HA 0.007 4.470 4.460 0.006 0.000 0.279 308 C C 1.584 176.631 174.990 0.095 0.000 1.191 308 C CA 0.134 59.224 59.018 0.119 0.000 1.764 308 C CB -1.867 25.960 27.740 0.146 0.000 2.026 308 C HN 0.496 nan 8.230 nan 0.000 0.442 309 R N 2.128 122.692 120.500 0.108 0.000 2.486 309 R HA 0.095 4.439 4.340 0.006 0.000 0.303 309 R C 0.176 176.519 176.300 0.072 0.000 0.958 309 R CA 0.423 56.564 56.100 0.068 0.000 1.077 309 R CB 0.130 30.469 30.300 0.066 0.000 0.921 309 R HN 0.620 nan 8.270 nan 0.000 0.406 310 K N 2.734 123.166 120.400 0.054 0.000 2.778 310 K HA 0.030 4.354 4.320 0.006 0.000 0.238 310 K C -0.550 176.079 176.600 0.049 0.000 1.233 310 K CA 0.093 56.412 56.287 0.053 0.000 1.195 310 K CB 0.271 32.798 32.500 0.045 0.000 1.743 310 K HN 0.460 nan 8.250 nan 0.000 0.418 311 D N 0.580 121.013 120.400 0.056 0.000 2.811 311 D HA 0.000 4.644 4.640 0.006 0.000 0.370 311 D C -0.581 175.757 176.300 0.063 0.000 1.412 311 D CA -0.158 53.874 54.000 0.053 0.000 0.964 311 D CB 0.166 40.992 40.800 0.044 0.000 1.637 311 D HN 0.374 nan 8.370 nan 0.000 0.377 312 M N 1.090 120.735 119.600 0.075 0.000 2.226 312 M HA 0.227 4.710 4.480 0.006 0.000 0.324 312 M C -0.216 176.134 176.300 0.082 0.000 1.112 312 M CA -0.124 55.228 55.300 0.087 0.000 1.176 312 M CB 1.190 33.853 32.600 0.106 0.000 1.430 312 M HN -0.282 nan 8.290 nan 0.000 0.462 313 V N 5.060 125.024 119.914 0.083 0.000 2.439 313 V HA 0.163 4.286 4.120 0.006 0.000 0.271 313 V C 0.251 176.402 176.094 0.096 0.000 1.040 313 V CA 0.102 62.450 62.300 0.080 0.000 1.002 313 V CB 0.286 32.149 31.823 0.067 0.000 1.000 313 V HN 0.572 nan 8.190 nan 0.000 0.477 314 K N 6.431 126.891 120.400 0.100 0.000 2.545 314 K HA 0.528 4.851 4.320 0.006 0.000 0.252 314 K C -1.194 175.488 176.600 0.135 0.000 0.948 314 K CA -0.469 55.889 56.287 0.119 0.000 0.827 314 K CB 1.587 34.152 32.500 0.109 0.000 1.128 314 K HN 0.576 nan 8.250 nan 0.000 0.429 315 I N 1.801 122.474 120.570 0.172 0.000 2.392 315 I HA 0.133 4.307 4.170 0.006 0.000 0.295 315 I C 0.638 176.907 176.117 0.253 0.000 0.985 315 I CA -0.706 60.721 61.300 0.211 0.000 1.221 315 I CB 1.916 40.066 38.000 0.250 0.000 1.366 315 I HN 0.478 nan 8.210 nan 0.000 0.467 316 S N 6.092 121.946 115.700 0.256 0.000 2.488 316 S HA 0.162 4.636 4.470 0.006 0.000 0.278 316 S C 1.053 175.880 174.600 0.379 0.000 1.259 316 S CA -0.523 57.847 58.200 0.283 0.000 1.061 316 S CB 0.467 63.803 63.200 0.227 0.000 0.910 316 S HN 0.516 nan 8.310 nan 0.000 0.491 317 M N 3.332 123.168 119.600 0.394 0.000 2.541 317 M HA 0.008 4.492 4.480 0.006 0.000 0.252 317 M C 1.720 178.180 176.300 0.265 0.000 1.125 317 M CA 0.458 55.965 55.300 0.346 0.000 1.091 317 M CB -1.146 31.517 32.600 0.104 0.000 1.420 317 M HN 0.749 nan 8.290 nan 0.000 0.486 318 D N 0.575 121.227 120.400 0.421 0.000 2.154 318 D HA -0.196 4.448 4.640 0.006 0.000 0.190 318 D C 1.900 178.323 176.300 0.206 0.000 1.003 318 D CA 1.572 55.855 54.000 0.472 0.000 0.849 318 D CB 0.272 41.358 40.800 0.476 0.000 0.942 318 D HN 0.205 nan 8.370 nan 0.000 0.446 319 V N -0.119 119.839 119.914 0.074 0.000 2.490 319 V HA -0.223 3.900 4.120 0.006 0.000 0.250 319 V C 1.980 177.956 176.094 -0.195 0.000 1.061 319 V CA 1.458 63.676 62.300 -0.136 0.000 1.064 319 V CB -0.541 31.121 31.823 -0.269 0.000 0.670 319 V HN 0.137 nan 8.190 nan 0.000 0.461 320 F N -0.614 119.398 119.950 0.105 0.000 2.187 320 F HA -0.021 4.509 4.527 0.006 0.000 0.295 320 F C 2.300 178.163 175.800 0.106 0.000 1.091 320 F CA 1.770 59.885 58.000 0.191 0.000 1.308 320 F CB -0.634 38.446 39.000 0.134 0.000 1.030 320 F HN 0.006 nan 8.300 nan 0.000 0.487 321 V N 0.380 120.341 119.914 0.079 0.000 2.307 321 V HA -0.274 3.849 4.120 0.006 0.000 0.245 321 V C 2.498 178.626 176.094 0.057 0.000 1.045 321 V CA 1.999 64.276 62.300 -0.038 0.000 1.024 321 V CB -0.701 30.922 31.823 -0.334 0.000 0.651 321 V HN 0.251 nan 8.190 nan 0.000 0.449 322 R N 0.475 120.942 120.500 -0.055 0.000 2.083 322 R HA -0.233 4.110 4.340 0.006 0.000 0.237 322 R C 2.434 178.605 176.300 -0.215 0.000 1.137 322 R CA 2.270 58.175 56.100 -0.326 0.000 0.951 322 R CB -0.234 29.731 30.300 -0.559 0.000 0.851 322 R HN 0.503 nan 8.270 nan 0.000 0.434 323 K N -0.969 119.307 120.400 -0.206 0.000 2.167 323 K HA -0.067 4.257 4.320 0.006 0.000 0.203 323 K C 1.142 177.454 176.600 -0.480 0.000 1.052 323 K CA 1.167 57.224 56.287 -0.384 0.000 0.956 323 K CB 0.151 32.317 32.500 -0.556 0.000 0.735 323 K HN 0.166 nan 8.250 nan 0.000 0.451 324 F N 0.070 120.016 119.950 -0.007 0.000 2.724 324 F HA 0.241 4.772 4.527 0.006 0.000 0.306 324 F C 0.531 176.330 175.800 -0.002 0.000 1.100 324 F CA -0.263 57.744 58.000 0.013 0.000 1.255 324 F CB 0.819 39.853 39.000 0.057 0.000 1.072 324 F HN -0.121 nan 8.300 nan 0.000 0.589 325 Q N 1.143 121.024 119.800 0.136 0.000 2.333 325 Q HA 0.157 4.500 4.340 0.006 0.000 0.365 325 Q C -1.943 174.108 176.000 0.084 0.000 0.882 325 Q CA -1.355 54.498 55.803 0.084 0.000 1.124 325 Q CB 0.765 29.528 28.738 0.042 0.000 1.345 325 Q HN 0.078 nan 8.270 nan 0.000 0.409 326 P HA -0.231 nan 4.420 nan 0.000 0.216 326 P C 0.454 177.814 177.300 0.099 0.000 1.150 326 P CA 1.595 64.725 63.100 0.051 0.000 0.843 326 P CB 0.376 32.068 31.700 -0.014 0.000 0.787 327 E N 0.053 120.296 120.200 0.072 0.000 2.409 327 E HA -0.103 4.250 4.350 0.006 0.000 0.198 327 E C 1.690 178.343 176.600 0.089 0.000 1.024 327 E CA 0.864 57.305 56.400 0.069 0.000 0.861 327 E CB -0.696 29.030 29.700 0.044 0.000 0.788 327 E HN 0.390 nan 8.360 nan 0.000 0.521 328 R N -1.224 119.346 120.500 0.117 0.000 2.476 328 R HA 0.180 4.524 4.340 0.006 0.000 0.276 328 R C 0.955 177.380 176.300 0.207 0.000 0.941 328 R CA -0.177 55.999 56.100 0.126 0.000 1.088 328 R CB -0.067 30.284 30.300 0.084 0.000 1.216 328 R HN 0.087 nan 8.270 nan 0.000 0.533 329 Y N 2.575 122.948 120.300 0.122 0.000 2.128 329 Y HA -0.252 4.302 4.550 0.006 0.000 0.284 329 Y C 2.223 178.256 175.900 0.221 0.000 1.154 329 Y CA 1.726 59.951 58.100 0.208 0.000 1.149 329 Y CB 0.067 38.614 38.460 0.145 0.000 0.976 329 Y HN -0.156 nan 8.280 nan 0.000 0.505 330 K N -0.345 120.114 120.400 0.098 0.000 2.032 330 K HA -0.230 4.093 4.320 0.006 0.000 0.209 330 K C 2.122 178.690 176.600 -0.054 0.000 1.048 330 K CA 1.707 57.984 56.287 -0.017 0.000 0.927 330 K CB -0.527 32.005 32.500 0.054 0.000 0.712 330 K HN 0.380 nan 8.250 nan 0.000 0.441 331 L N 0.050 121.284 121.223 0.019 0.000 2.017 331 L HA -0.145 4.199 4.340 0.006 0.000 0.208 331 L C 2.071 178.953 176.870 0.020 0.000 1.073 331 L CA 1.738 56.588 54.840 0.016 0.000 0.745 331 L CB -0.558 41.529 42.059 0.047 0.000 0.894 331 L HN 0.414 nan 8.230 nan 0.000 0.432 332 W N 0.807 122.038 121.300 -0.116 0.000 2.354 332 W HA -0.265 4.398 4.660 0.006 0.000 0.315 332 W C 2.551 178.968 176.519 -0.170 0.000 1.206 332 W CA 2.037 59.310 57.345 -0.120 0.000 1.290 332 W CB -0.349 29.057 29.460 -0.090 0.000 1.152 332 W HN 0.013 nan 8.180 nan 0.000 0.489 333 K N 0.913 121.046 120.400 -0.445 0.000 2.160 333 K HA -0.106 4.217 4.320 0.006 0.000 0.206 333 K C 1.748 178.057 176.600 -0.484 0.000 1.047 333 K CA 1.681 57.537 56.287 -0.720 0.000 0.930 333 K CB -0.871 31.235 32.500 -0.655 0.000 0.720 333 K HN 0.139 nan 8.250 nan 0.000 0.450 334 A N -0.334 122.301 122.820 -0.308 0.000 2.359 334 A HA 0.331 4.654 4.320 0.006 0.000 0.240 334 A C 0.968 178.431 177.584 -0.201 0.000 1.306 334 A CA 0.421 52.333 52.037 -0.209 0.000 0.898 334 A CB -1.021 17.902 19.000 -0.128 0.000 0.956 334 A HN 0.381 nan 8.150 nan 0.000 0.497 335 G N 1.039 109.661 108.800 -0.296 0.000 2.390 335 G HA2 -0.317 3.646 3.960 0.006 0.000 0.299 335 G HA3 -0.317 3.646 3.960 0.006 0.000 0.299 335 G C 0.381 175.205 174.900 -0.127 0.000 1.002 335 G CA 0.979 45.937 45.100 -0.237 0.000 0.979 335 G HN 1.039 nan 8.290 nan 0.000 0.513 336 K N -0.670 119.675 120.400 -0.091 0.000 2.860 336 K HA 0.291 4.615 4.320 0.006 0.000 0.204 336 K C -0.632 175.964 176.600 -0.006 0.000 1.127 336 K CA -0.660 55.601 56.287 -0.043 0.000 1.050 336 K CB 1.003 33.477 32.500 -0.044 0.000 0.745 336 K HN 0.091 nan 8.250 nan 0.000 0.459 337 D N 1.760 122.178 120.400 0.030 0.000 2.428 337 D HA 0.129 4.773 4.640 0.006 0.000 0.221 337 D C -0.696 175.626 176.300 0.037 0.000 1.123 337 D CA -0.327 53.712 54.000 0.066 0.000 0.869 337 D CB 0.651 41.556 40.800 0.174 0.000 1.032 337 D HN 0.112 nan 8.370 nan 0.000 0.506 338 N N 3.116 121.819 118.700 0.005 0.000 3.131 338 N HA 0.076 4.820 4.740 0.006 0.000 0.312 338 N C -0.516 174.973 175.510 -0.036 0.000 1.433 338 N CA -0.139 52.901 53.050 -0.016 0.000 1.141 338 N CB 0.748 39.223 38.487 -0.021 0.000 1.431 338 N HN 0.270 nan 8.380 nan 0.000 0.523 339 T N 0.325 114.852 114.554 -0.046 0.000 2.832 339 T HA 0.238 4.591 4.350 0.006 0.000 0.296 339 T C 0.752 175.381 174.700 -0.118 0.000 0.968 339 T CA -0.182 61.871 62.100 -0.079 0.000 1.107 339 T CB 1.634 70.447 68.868 -0.091 0.000 0.916 339 T HN -0.115 nan 8.240 nan 0.000 0.517 340 V N 4.765 124.602 119.914 -0.128 0.000 2.539 340 V HA 0.403 4.526 4.120 0.006 0.000 0.292 340 V C 0.438 176.393 176.094 -0.232 0.000 1.045 340 V CA -0.829 61.373 62.300 -0.164 0.000 0.945 340 V CB 1.334 33.081 31.823 -0.127 0.000 0.993 340 V HN 0.750 nan 8.190 nan 0.000 0.464 341 I N 3.346 123.713 120.570 -0.337 0.000 2.440 341 I HA 0.301 4.475 4.170 0.006 0.000 0.294 341 I C -0.128 175.695 176.117 -0.491 0.000 0.995 341 I CA -0.150 60.860 61.300 -0.483 0.000 1.306 341 I CB 1.230 38.774 38.000 -0.760 0.000 1.407 341 I HN 0.578 nan 8.210 nan 0.000 0.501 342 D N 5.398 125.571 120.400 -0.378 0.000 2.460 342 D HA 0.142 4.786 4.640 0.006 0.000 0.232 342 D C 0.878 177.077 176.300 -0.169 0.000 1.079 342 D CA -0.369 53.482 54.000 -0.248 0.000 0.864 342 D CB 0.665 41.394 40.800 -0.119 0.000 1.048 342 D HN 0.464 nan 8.370 nan 0.000 0.523 343 H N 2.011 121.108 119.070 0.045 0.000 2.518 343 H HA -0.042 4.518 4.556 0.006 0.000 0.289 343 H C 1.198 176.628 175.328 0.171 0.000 1.051 343 H CA 0.996 57.139 56.048 0.159 0.000 1.280 343 H CB 0.200 30.044 29.762 0.136 0.000 1.380 343 H HN 0.386 nan 8.280 nan 0.000 0.566 344 T N 0.587 115.252 114.554 0.185 0.000 3.009 344 T HA 0.064 4.418 4.350 0.006 0.000 0.258 344 T C 1.274 176.146 174.700 0.286 0.000 1.063 344 T CA -0.301 61.897 62.100 0.163 0.000 1.139 344 T CB 0.160 69.060 68.868 0.053 0.000 0.890 344 T HN 0.138 nan 8.240 nan 0.000 0.471 345 L N 3.238 124.550 121.223 0.149 0.000 2.540 345 L HA 0.135 4.478 4.340 0.006 0.000 0.276 345 L C -2.258 174.621 176.870 0.015 0.000 1.212 345 L CA -1.461 53.422 54.840 0.073 0.000 0.893 345 L CB 0.824 42.890 42.059 0.012 0.000 1.138 345 L HN 0.041 nan 8.230 nan 0.000 0.491 346 P HA 0.196 nan 4.420 nan 0.000 0.302 346 P C -0.949 176.294 177.300 -0.095 0.000 1.307 346 P CA -0.429 62.575 63.100 -0.160 0.000 0.754 346 P CB 0.582 32.228 31.700 -0.090 0.000 1.298 347 T N 0.987 115.488 114.554 -0.088 0.000 3.598 347 T HA 0.250 4.603 4.350 0.006 0.000 0.343 347 T C -1.553 173.131 174.700 -0.028 0.000 1.697 347 T CA -0.841 61.235 62.100 -0.040 0.000 1.247 347 T CB -1.113 67.739 68.868 -0.028 0.000 1.210 347 T HN 0.409 nan 8.240 nan 0.000 0.820 348 P HA 0.000 nan 4.420 nan 0.000 0.216 348 P CA 0.000 63.097 63.100 -0.006 0.000 0.800 348 P CB 0.000 31.699 31.700 -0.002 0.000 0.726