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 1mna_1_A DATA FIRST_RESID 9 DATA SEQUENCE AGMFRALFRQ AVEDDRYGEF LDVLAEASAF RPQFASPEAC SERLDPVLLA DATA SEQUENCE GGPTDRAEGR AVLVGCTGTA ANGGPHEFLR LSTSFQEERD FLAVPLPGYG DATA SEQUENCE XXXXXGTALL PADLDTALDA QARAILRAAG DAPVVLLGHS GGALLAHELA DATA SEQUENCE FRLERAHGAP PAGIVLVDPY PPGHQEPIEV WSRQLGEGLF AGELEPMSDA DATA SEQUENCE RLLAMGRYAR FLAGPRPGRS SAPVLLVRAS EPLGDWQEER GDWRAHWDLP DATA SEQUENCE HTVADVPGDH FTMMRDHAPA VAEAVLSWLD A 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.635 177.584 0.085 0.000 1.274 9 A CA 0.000 52.079 52.037 0.070 0.000 0.836 9 A CB 0.000 19.042 19.000 0.070 0.000 0.831 10 G N -1.034 107.840 108.800 0.123 0.000 2.141 10 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.231 10 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.231 10 G C 0.858 175.849 174.900 0.153 0.000 0.984 10 G CA 1.047 46.234 45.100 0.145 0.000 0.660 10 G HN 2.018 nan 8.290 nan 0.000 0.525 11 M N -0.184 119.484 119.600 0.114 0.000 2.159 11 M HA 0.236 4.715 4.480 -0.001 0.000 0.263 11 M C 2.029 178.365 176.300 0.060 0.000 1.063 11 M CA 1.941 57.260 55.300 0.032 0.000 1.110 11 M CB -0.631 31.920 32.600 -0.081 0.000 1.374 11 M HN 0.270 nan 8.290 nan 0.000 0.411 12 F N -0.356 119.691 119.950 0.161 0.000 2.126 12 F HA -0.182 4.344 4.527 -0.001 0.000 0.299 12 F C 2.664 178.639 175.800 0.293 0.000 1.096 12 F CA 2.007 60.166 58.000 0.265 0.000 1.255 12 F CB -0.568 38.545 39.000 0.189 0.000 0.997 12 F HN 0.183 nan 8.300 nan 0.000 0.479 13 R N 0.469 121.217 120.500 0.413 0.000 2.096 13 R HA -0.144 4.195 4.340 -0.001 0.000 0.235 13 R C 2.315 178.826 176.300 0.352 0.000 1.127 13 R CA 1.234 57.579 56.100 0.407 0.000 0.968 13 R CB -0.444 30.036 30.300 0.300 0.000 0.861 13 R HN 0.260 nan 8.270 nan 0.000 0.440 14 A N 1.194 124.137 122.820 0.205 0.000 1.877 14 A HA -0.129 4.190 4.320 -0.001 0.000 0.216 14 A C 2.200 179.796 177.584 0.020 0.000 1.186 14 A CA 1.253 53.349 52.037 0.099 0.000 0.620 14 A CB -0.607 18.426 19.000 0.056 0.000 0.822 14 A HN 0.339 nan 8.150 nan 0.000 0.443 15 L N -1.898 119.323 121.223 -0.002 0.000 2.042 15 L HA -0.180 4.159 4.340 -0.001 0.000 0.210 15 L C 2.536 179.113 176.870 -0.488 0.000 1.076 15 L CA 1.719 56.472 54.840 -0.144 0.000 0.749 15 L CB -0.608 41.474 42.059 0.039 0.000 0.893 15 L HN 0.565 nan 8.230 nan 0.000 0.432 16 F N 0.879 120.371 119.950 -0.765 0.000 2.095 16 F HA -0.343 4.183 4.527 -0.001 0.000 0.298 16 F C 2.921 178.582 175.800 -0.232 0.000 1.104 16 F CA 1.332 58.869 58.000 -0.771 0.000 1.232 16 F CB 0.062 39.054 39.000 -0.014 0.000 0.987 16 F HN -0.046 nan 8.300 nan 0.000 0.475 17 R N 0.658 121.091 120.500 -0.111 0.000 2.083 17 R HA -0.255 4.084 4.340 -0.001 0.000 0.237 17 R C 2.191 178.259 176.300 -0.387 0.000 1.137 17 R CA 2.012 57.777 56.100 -0.558 0.000 0.951 17 R CB -0.716 29.336 30.300 -0.415 0.000 0.851 17 R HN 0.290 nan 8.270 nan 0.000 0.434 18 Q N -0.091 119.568 119.800 -0.235 0.000 2.084 18 Q HA -0.015 4.324 4.340 -0.001 0.000 0.202 18 Q C 1.915 177.832 176.000 -0.138 0.000 0.978 18 Q CA 2.198 57.903 55.803 -0.164 0.000 0.844 18 Q CB -0.488 28.185 28.738 -0.109 0.000 0.898 18 Q HN 0.447 nan 8.270 nan 0.000 0.426 19 A N -0.636 122.090 122.820 -0.157 0.000 1.908 19 A HA -0.164 4.155 4.320 -0.001 0.000 0.218 19 A C 2.264 179.850 177.584 0.003 0.000 1.181 19 A CA 1.798 53.811 52.037 -0.040 0.000 0.627 19 A CB -0.896 18.097 19.000 -0.011 0.000 0.818 19 A HN 0.278 nan 8.150 nan 0.000 0.445 20 V N 0.190 120.052 119.914 -0.088 0.000 2.358 20 V HA -0.262 3.857 4.120 -0.001 0.000 0.246 20 V C 2.374 178.413 176.094 -0.091 0.000 1.047 20 V CA 2.207 64.466 62.300 -0.069 0.000 1.035 20 V CB -0.923 30.753 31.823 -0.246 0.000 0.658 20 V HN 0.646 nan 8.190 nan 0.000 0.452 21 E N 0.044 120.155 120.200 -0.149 0.000 2.118 21 E HA -0.222 4.127 4.350 -0.001 0.000 0.195 21 E C 1.497 178.063 176.600 -0.056 0.000 0.992 21 E CA 1.393 57.724 56.400 -0.114 0.000 0.804 21 E CB -0.181 29.441 29.700 -0.131 0.000 0.741 21 E HN 0.618 nan 8.360 nan 0.000 0.458 22 D N 0.509 120.888 120.400 -0.034 0.000 2.340 22 D HA -0.051 4.588 4.640 -0.001 0.000 0.220 22 D C -0.066 176.251 176.300 0.028 0.000 1.039 22 D CA 0.381 54.380 54.000 -0.002 0.000 0.866 22 D CB 0.086 40.889 40.800 0.006 0.000 0.913 22 D HN 0.012 nan 8.370 nan 0.000 0.523 23 D N 0.822 121.247 120.400 0.040 0.000 2.746 23 D HA -0.206 4.433 4.640 -0.001 0.000 0.236 23 D C -0.214 176.156 176.300 0.116 0.000 1.129 23 D CA 0.444 54.489 54.000 0.076 0.000 0.691 23 D CB -1.062 39.770 40.800 0.055 0.000 1.077 23 D HN 0.283 nan 8.370 nan 0.000 0.432 24 R N 0.076 120.665 120.500 0.149 0.000 2.727 24 R HA 0.118 4.458 4.340 -0.001 0.000 0.410 24 R C 1.060 177.522 176.300 0.271 0.000 1.101 24 R CA -0.452 55.755 56.100 0.178 0.000 1.045 24 R CB -0.026 30.358 30.300 0.140 0.000 1.380 24 R HN 0.256 nan 8.270 nan 0.000 0.587 25 Y N 0.904 121.318 120.300 0.191 0.000 2.128 25 Y HA -0.184 4.365 4.550 -0.001 0.000 0.284 25 Y C 2.228 178.319 175.900 0.319 0.000 1.154 25 Y CA 2.287 60.566 58.100 0.299 0.000 1.149 25 Y CB -0.198 38.410 38.460 0.246 0.000 0.976 25 Y HN 0.225 nan 8.280 nan 0.000 0.505 26 G N -0.284 108.725 108.800 0.349 0.000 2.446 26 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.217 26 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.217 26 G C 1.456 176.423 174.900 0.112 0.000 1.168 26 G CA 1.157 46.382 45.100 0.209 0.000 0.771 26 G HN 0.539 nan 8.290 nan 0.000 0.551 27 E N -0.544 119.739 120.200 0.138 0.000 2.077 27 E HA -0.113 4.236 4.350 -0.001 0.000 0.193 27 E C 2.109 178.772 176.600 0.105 0.000 0.989 27 E CA 0.763 57.228 56.400 0.109 0.000 0.800 27 E CB -0.229 29.546 29.700 0.126 0.000 0.746 27 E HN 0.455 nan 8.360 nan 0.000 0.452 28 F N 1.319 121.283 119.950 0.024 0.000 2.234 28 F HA -0.161 4.365 4.527 -0.001 0.000 0.299 28 F C 1.900 177.656 175.800 -0.072 0.000 1.087 28 F CA 0.853 58.864 58.000 0.019 0.000 1.340 28 F CB 0.062 39.132 39.000 0.116 0.000 1.031 28 F HN -0.027 nan 8.300 nan 0.000 0.500 29 L N -0.030 121.100 121.223 -0.156 0.000 2.131 29 L HA -0.216 4.123 4.340 -0.001 0.000 0.210 29 L C 1.979 178.714 176.870 -0.226 0.000 1.092 29 L CA 1.678 56.365 54.840 -0.254 0.000 0.759 29 L CB -1.412 40.542 42.059 -0.176 0.000 0.903 29 L HN 0.128 nan 8.230 nan 0.000 0.435 30 D N -0.490 119.823 120.400 -0.144 0.000 2.117 30 D HA -0.132 4.508 4.640 -0.001 0.000 0.197 30 D C 2.362 178.568 176.300 -0.156 0.000 0.987 30 D CA 0.842 54.776 54.000 -0.111 0.000 0.829 30 D CB 0.064 40.835 40.800 -0.048 0.000 0.961 30 D HN 0.091 nan 8.370 nan 0.000 0.460 31 V N 0.990 120.769 119.914 -0.225 0.000 2.343 31 V HA -0.206 3.913 4.120 -0.001 0.000 0.247 31 V C 2.656 178.591 176.094 -0.265 0.000 1.051 31 V CA 1.058 63.217 62.300 -0.234 0.000 1.036 31 V CB -0.410 31.226 31.823 -0.312 0.000 0.654 31 V HN 0.211 nan 8.190 nan 0.000 0.451 32 L N -0.041 120.910 121.223 -0.452 0.000 2.042 32 L HA -0.195 4.144 4.340 -0.001 0.000 0.210 32 L C 2.738 179.437 176.870 -0.284 0.000 1.076 32 L CA 1.676 56.278 54.840 -0.397 0.000 0.749 32 L CB -0.778 40.996 42.059 -0.475 0.000 0.893 32 L HN 0.380 nan 8.230 nan 0.000 0.432 33 A N -0.402 122.270 122.820 -0.248 0.000 1.877 33 A HA -0.193 4.127 4.320 -0.001 0.000 0.216 33 A C 2.194 179.670 177.584 -0.180 0.000 1.186 33 A CA 1.491 53.394 52.037 -0.225 0.000 0.620 33 A CB -0.351 18.538 19.000 -0.186 0.000 0.822 33 A HN 0.364 nan 8.150 nan 0.000 0.443 34 E N 0.003 120.134 120.200 -0.115 0.000 2.051 34 E HA -0.140 4.209 4.350 -0.001 0.000 0.192 34 E C 2.360 178.988 176.600 0.047 0.000 0.991 34 E CA 1.298 57.674 56.400 -0.040 0.000 0.799 34 E CB -0.704 29.004 29.700 0.012 0.000 0.748 34 E HN 0.572 nan 8.360 nan 0.000 0.449 35 A N 1.740 124.601 122.820 0.068 0.000 1.933 35 A HA -0.183 4.136 4.320 -0.001 0.000 0.218 35 A C 2.415 180.063 177.584 0.107 0.000 1.175 35 A CA 2.156 54.312 52.037 0.198 0.000 0.628 35 A CB -0.654 18.455 19.000 0.182 0.000 0.814 35 A HN 0.341 nan 8.150 nan 0.000 0.444 36 S N 0.253 115.884 115.700 -0.115 0.000 2.419 36 S HA 0.005 4.474 4.470 -0.001 0.000 0.235 36 S C 1.921 176.400 174.600 -0.203 0.000 1.019 36 S CA 1.233 59.315 58.200 -0.196 0.000 0.982 36 S CB -0.649 62.376 63.200 -0.292 0.000 0.789 36 S HN 0.972 nan 8.310 nan 0.000 0.490 37 A N 0.391 123.042 122.820 -0.282 0.000 2.125 37 A HA 0.172 4.491 4.320 -0.001 0.000 0.219 37 A C 1.337 178.578 177.584 -0.571 0.000 1.156 37 A CA 0.833 52.591 52.037 -0.465 0.000 0.671 37 A CB -0.857 17.771 19.000 -0.620 0.000 0.794 37 A HN 0.627 nan 8.150 nan 0.000 0.459 38 F N -0.229 119.676 119.950 -0.074 0.000 2.641 38 F HA 0.244 4.770 4.527 -0.001 0.000 0.302 38 F C 1.115 176.886 175.800 -0.049 0.000 1.098 38 F CA -0.191 57.781 58.000 -0.047 0.000 1.318 38 F CB 0.223 39.208 39.000 -0.025 0.000 1.035 38 F HN -0.042 nan 8.300 nan 0.000 0.551 39 R N 0.921 121.433 120.500 0.020 0.000 2.457 39 R HA 0.348 4.688 4.340 -0.001 0.000 0.284 39 R C -2.418 173.875 176.300 -0.011 0.000 1.024 39 R CA -1.712 54.387 56.100 -0.003 0.000 1.025 39 R CB 0.281 30.543 30.300 -0.064 0.000 1.063 39 R HN -0.098 nan 8.270 nan 0.000 0.493 40 P HA -0.030 nan 4.420 nan 0.000 0.266 40 P C -0.749 176.563 177.300 0.021 0.000 1.195 40 P CA 0.277 63.390 63.100 0.022 0.000 0.768 40 P CB 0.548 32.272 31.700 0.039 0.000 0.838 41 Q N 1.867 121.676 119.800 0.016 0.000 2.495 41 Q HA 0.638 4.977 4.340 -0.001 0.000 0.287 41 Q C -1.254 174.789 176.000 0.072 0.000 1.078 41 Q CA -1.015 54.788 55.803 0.000 0.000 0.793 41 Q CB 1.604 30.268 28.738 -0.123 0.000 1.459 41 Q HN 0.379 nan 8.270 nan 0.000 0.422 42 F N -1.146 118.810 119.950 0.009 0.000 2.427 42 F HA 0.823 5.349 4.527 -0.001 0.000 0.346 42 F C 0.270 176.075 175.800 0.010 0.000 1.120 42 F CA -0.799 57.209 58.000 0.013 0.000 1.033 42 F CB 1.526 40.541 39.000 0.024 0.000 1.126 42 F HN 0.703 nan 8.300 nan 0.000 0.462 43 A N 2.379 125.246 122.820 0.079 0.000 2.267 43 A HA 0.396 4.716 4.320 -0.001 0.000 0.213 43 A C 0.347 177.975 177.584 0.073 0.000 1.192 43 A CA 0.062 52.097 52.037 -0.002 0.000 0.851 43 A CB -0.359 18.638 19.000 -0.005 0.000 0.881 43 A HN 0.614 nan 8.150 nan 0.000 0.494 44 S N 0.201 116.020 115.700 0.198 0.000 2.521 44 S HA 0.443 4.912 4.470 -0.001 0.000 0.295 44 S C -2.129 172.640 174.600 0.282 0.000 1.098 44 S CA -1.012 57.294 58.200 0.177 0.000 0.999 44 S CB 2.166 65.431 63.200 0.109 0.000 1.034 44 S HN 0.134 nan 8.310 nan 0.000 0.483 45 P HA -0.174 nan 4.420 nan 0.000 0.217 45 P C 0.759 178.091 177.300 0.053 0.000 1.148 45 P CA 1.321 64.535 63.100 0.190 0.000 0.828 45 P CB 0.258 32.047 31.700 0.147 0.000 0.783 46 E N 0.427 120.659 120.200 0.054 0.000 2.152 46 E HA -0.039 4.311 4.350 -0.001 0.000 0.192 46 E C 1.970 178.561 176.600 -0.015 0.000 0.983 46 E CA 1.002 57.409 56.400 0.011 0.000 0.818 46 E CB -0.892 28.822 29.700 0.024 0.000 0.758 46 E HN 0.275 nan 8.360 nan 0.000 0.467 47 A N 0.954 123.790 122.820 0.028 0.000 2.276 47 A HA 0.015 4.335 4.320 -0.001 0.000 0.212 47 A C 1.005 178.528 177.584 -0.102 0.000 1.230 47 A CA -0.224 51.829 52.037 0.026 0.000 0.844 47 A CB -0.757 18.316 19.000 0.121 0.000 0.860 47 A HN 0.269 nan 8.150 nan 0.000 0.486 48 C N 2.023 121.113 119.300 -0.351 0.000 2.648 48 C HA 0.313 4.772 4.460 -0.001 0.000 0.415 48 C C 1.702 176.468 174.990 -0.375 0.000 1.366 48 C CA 0.282 58.816 59.018 -0.808 0.000 1.756 48 C CB -0.758 26.512 27.740 -0.784 0.000 2.549 48 C HN 0.659 nan 8.230 nan 0.000 0.597 49 S N 4.066 119.587 115.700 -0.299 0.000 2.815 49 S HA 0.303 4.772 4.470 -0.001 0.000 0.254 49 S C -0.215 174.336 174.600 -0.082 0.000 1.197 49 S CA -0.309 57.822 58.200 -0.115 0.000 1.216 49 S CB -0.727 62.455 63.200 -0.029 0.000 0.871 49 S HN 0.950 nan 8.310 nan 0.000 0.473 50 E N -0.275 119.861 120.200 -0.107 0.000 2.389 50 E HA 0.299 4.649 4.350 -0.001 0.000 0.281 50 E C -1.433 175.136 176.600 -0.051 0.000 1.072 50 E CA -1.303 55.066 56.400 -0.052 0.000 0.845 50 E CB 0.629 30.320 29.700 -0.016 0.000 1.239 50 E HN 0.008 nan 8.360 nan 0.000 0.434 51 R N 2.197 122.684 120.500 -0.022 0.000 2.288 51 R HA 0.227 4.566 4.340 -0.001 0.000 0.330 51 R C 0.440 176.735 176.300 -0.008 0.000 1.069 51 R CA -0.128 55.962 56.100 -0.017 0.000 0.941 51 R CB -0.095 30.202 30.300 -0.005 0.000 0.998 51 R HN 0.607 nan 8.270 nan 0.000 0.452 52 L N 1.350 122.562 121.223 -0.018 0.000 2.628 52 L HA 0.110 4.449 4.340 -0.001 0.000 0.229 52 L C -0.150 176.714 176.870 -0.010 0.000 1.137 52 L CA -0.237 54.598 54.840 -0.008 0.000 0.909 52 L CB -0.009 42.042 42.059 -0.014 0.000 1.137 52 L HN 0.334 nan 8.230 nan 0.000 0.470 53 D N 2.306 122.699 120.400 -0.011 0.000 2.520 53 D HA 0.059 4.699 4.640 -0.001 0.000 0.243 53 D C -1.995 174.301 176.300 -0.008 0.000 1.160 53 D CA -0.594 53.398 54.000 -0.014 0.000 0.877 53 D CB 0.482 41.276 40.800 -0.009 0.000 1.150 53 D HN -0.002 nan 8.370 nan 0.000 0.494 54 P HA 0.022 nan 4.420 nan 0.000 0.269 54 P C -0.577 176.725 177.300 0.003 0.000 1.215 54 P CA -0.466 62.624 63.100 -0.018 0.000 0.780 54 P CB 0.599 32.264 31.700 -0.057 0.000 0.898 55 V N 0.593 120.526 119.914 0.030 0.000 2.435 55 V HA 0.426 4.546 4.120 -0.001 0.000 0.290 55 V C -0.309 175.824 176.094 0.065 0.000 1.030 55 V CA -1.098 61.232 62.300 0.050 0.000 0.881 55 V CB 1.194 33.061 31.823 0.074 0.000 0.983 55 V HN 0.282 nan 8.190 nan 0.000 0.445 56 L N 5.253 126.509 121.223 0.054 0.000 2.325 56 L HA 0.401 4.741 4.340 -0.001 0.000 0.284 56 L C 0.577 177.510 176.870 0.104 0.000 1.089 56 L CA 0.493 55.374 54.840 0.069 0.000 0.836 56 L CB 0.353 42.437 42.059 0.040 0.000 1.184 56 L HN 0.800 nan 8.230 nan 0.000 0.444 57 L N 4.951 126.278 121.223 0.172 0.000 2.554 57 L HA 0.482 4.821 4.340 -0.001 0.000 0.225 57 L C 0.540 177.481 176.870 0.119 0.000 1.104 57 L CA 0.265 55.196 54.840 0.152 0.000 0.866 57 L CB -0.061 42.113 42.059 0.191 0.000 1.047 57 L HN 0.770 nan 8.230 nan 0.000 0.468 58 A N -0.526 122.388 122.820 0.156 0.000 2.574 58 A HA 0.715 5.034 4.320 -0.001 0.000 0.297 58 A C -0.683 176.973 177.584 0.120 0.000 1.062 58 A CA -0.152 51.967 52.037 0.136 0.000 0.686 58 A CB 1.263 20.376 19.000 0.188 0.000 1.285 58 A HN 0.023 nan 8.150 nan 0.000 0.403 59 G N 0.152 109.006 108.800 0.089 0.000 2.461 59 G HA2 0.628 4.588 3.960 -0.001 0.000 0.323 59 G HA3 0.628 4.588 3.960 -0.001 0.000 0.323 59 G C 0.171 175.111 174.900 0.067 0.000 1.229 59 G CA 0.132 45.271 45.100 0.065 0.000 0.941 59 G HN 1.233 nan 8.290 nan 0.000 0.477 60 G N 0.838 109.671 108.800 0.053 0.000 2.588 60 G HA2 0.563 4.522 3.960 -0.001 0.000 0.281 60 G HA3 0.563 4.522 3.960 -0.001 0.000 0.281 60 G C -2.522 172.398 174.900 0.034 0.000 1.236 60 G CA -1.236 43.895 45.100 0.052 0.000 0.969 60 G HN 0.475 nan 8.290 nan 0.000 0.504 61 P HA 0.068 nan 4.420 nan 0.000 0.262 61 P C 0.922 178.229 177.300 0.012 0.000 1.199 61 P CA 0.242 63.354 63.100 0.020 0.000 0.763 61 P CB 0.903 32.614 31.700 0.018 0.000 0.790 62 T N 1.278 115.839 114.554 0.011 0.000 2.929 62 T HA -0.174 4.175 4.350 -0.001 0.000 0.271 62 T C 1.395 176.096 174.700 0.003 0.000 1.085 62 T CA 1.407 63.511 62.100 0.006 0.000 1.125 62 T CB -0.582 68.290 68.868 0.006 0.000 0.874 62 T HN 0.362 nan 8.240 nan 0.000 0.494 63 D N 1.203 121.605 120.400 0.004 0.000 2.119 63 D HA -0.109 4.531 4.640 -0.001 0.000 0.199 63 D C 0.923 177.222 176.300 -0.001 0.000 0.987 63 D CA 1.069 55.070 54.000 0.002 0.000 0.858 63 D CB -0.063 40.739 40.800 0.003 0.000 1.008 63 D HN 0.243 nan 8.370 nan 0.000 0.450 64 R N 0.411 120.910 120.500 -0.001 0.000 4.792 64 R HA 0.325 4.665 4.340 -0.001 0.000 0.205 64 R C 0.457 176.752 176.300 -0.008 0.000 1.875 64 R CA 0.135 56.232 56.100 -0.006 0.000 1.588 64 R CB -0.276 30.021 30.300 -0.006 0.000 1.401 64 R HN 0.115 nan 8.270 nan 0.000 0.834 65 A N 1.237 124.052 122.820 -0.008 0.000 2.176 65 A HA -0.088 4.232 4.320 -0.001 0.000 0.214 65 A C 0.796 178.371 177.584 -0.016 0.000 1.327 65 A CA 0.048 52.078 52.037 -0.011 0.000 1.015 65 A CB -0.735 18.259 19.000 -0.009 0.000 0.818 65 A HN 0.663 nan 8.150 nan 0.000 0.500 66 E N -0.861 119.329 120.200 -0.017 0.000 4.616 66 E HA 0.339 4.688 4.350 -0.001 0.000 0.487 66 E C 1.568 178.152 176.600 -0.027 0.000 1.290 66 E CA -0.255 56.133 56.400 -0.021 0.000 3.081 66 E CB -0.422 29.265 29.700 -0.020 0.000 1.792 66 E HN 0.055 nan 8.360 nan 0.000 0.672 67 G N -0.012 108.769 108.800 -0.031 0.000 2.844 67 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.211 67 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.211 67 G C 0.016 174.890 174.900 -0.043 0.000 1.368 67 G CA 0.976 46.053 45.100 -0.038 0.000 0.815 67 G HN 0.560 nan 8.290 nan 0.000 0.649 68 R N -0.881 119.591 120.500 -0.047 0.000 1.504 68 R HA 0.012 4.352 4.340 -0.001 0.000 0.390 68 R C 0.048 176.309 176.300 -0.064 0.000 1.308 68 R CA 0.484 56.554 56.100 -0.051 0.000 1.250 68 R CB -1.247 29.031 30.300 -0.036 0.000 3.548 68 R HN 1.023 nan 8.270 nan 0.000 0.480 69 A N 3.926 126.698 122.820 -0.079 0.000 2.407 69 A HA 0.491 4.811 4.320 -0.001 0.000 0.248 69 A C -0.037 177.485 177.584 -0.104 0.000 1.082 69 A CA -0.149 51.830 52.037 -0.096 0.000 0.785 69 A CB 0.886 19.818 19.000 -0.113 0.000 1.020 69 A HN 0.468 nan 8.150 nan 0.000 0.489 70 V N 2.893 122.732 119.914 -0.125 0.000 2.612 70 V HA 0.334 4.453 4.120 -0.001 0.000 0.301 70 V C 0.163 176.115 176.094 -0.238 0.000 1.046 70 V CA -0.448 61.757 62.300 -0.158 0.000 0.946 70 V CB 1.501 33.237 31.823 -0.145 0.000 1.003 70 V HN 0.754 nan 8.190 nan 0.000 0.459 71 L N 3.671 124.689 121.223 -0.341 0.000 2.312 71 L HA 0.537 4.876 4.340 -0.001 0.000 0.281 71 L C -0.634 175.782 176.870 -0.757 0.000 1.070 71 L CA -0.393 54.127 54.840 -0.533 0.000 0.805 71 L CB 1.703 43.357 42.059 -0.674 0.000 1.174 71 L HN 0.362 nan 8.230 nan 0.000 0.434 72 V N 2.539 122.040 119.914 -0.688 0.000 2.376 72 V HA 0.409 4.529 4.120 -0.001 0.000 0.287 72 V C 0.500 176.141 176.094 -0.755 0.000 1.015 72 V CA -0.642 61.256 62.300 -0.670 0.000 0.834 72 V CB 1.521 33.121 31.823 -0.372 0.000 1.001 72 V HN 0.850 nan 8.190 nan 0.000 0.428 73 G N 3.259 111.421 108.800 -1.063 0.000 2.351 73 G HA2 0.332 4.291 3.960 -0.001 0.000 0.287 73 G HA3 0.332 4.291 3.960 -0.001 0.000 0.287 73 G C -0.084 174.585 174.900 -0.385 0.000 1.159 73 G CA -0.170 44.276 45.100 -1.091 0.000 0.929 73 G HN 0.772 nan 8.290 nan 0.000 0.435 74 C N 3.501 122.741 119.300 -0.100 0.000 2.256 74 C HA 0.388 4.848 4.460 -0.001 0.000 0.333 74 C C 1.328 176.492 174.990 0.289 0.000 1.183 74 C CA -0.884 58.181 59.018 0.079 0.000 1.692 74 C CB -1.183 26.569 27.740 0.021 0.000 2.274 74 C HN 0.891 nan 8.230 nan 0.000 0.509 75 T N 1.708 116.414 114.554 0.253 0.000 2.933 75 T HA 0.353 4.702 4.350 -0.001 0.000 0.306 75 T C 0.807 175.467 174.700 -0.067 0.000 1.045 75 T CA 0.059 62.212 62.100 0.087 0.000 1.143 75 T CB 0.675 69.513 68.868 -0.050 0.000 1.003 75 T HN 0.818 nan 8.240 nan 0.000 0.540 76 G N 1.451 110.178 108.800 -0.123 0.000 2.588 76 G HA2 0.395 4.354 3.960 -0.001 0.000 0.278 76 G HA3 0.395 4.354 3.960 -0.001 0.000 0.278 76 G C 1.137 175.901 174.900 -0.228 0.000 1.307 76 G CA -0.167 44.864 45.100 -0.114 0.000 1.016 76 G HN 1.044 nan 8.290 nan 0.000 0.503 77 T N -2.764 111.724 114.554 -0.109 0.000 3.081 77 T HA 0.371 4.720 4.350 -0.001 0.000 0.255 77 T C 1.340 176.078 174.700 0.063 0.000 1.113 77 T CA 0.723 62.800 62.100 -0.037 0.000 1.082 77 T CB -0.204 68.742 68.868 0.129 0.000 0.939 77 T HN 0.988 nan 8.240 nan 0.000 0.506 78 A N 1.157 123.997 122.820 0.033 0.000 2.573 78 A HA 0.545 4.864 4.320 -0.001 0.000 0.250 78 A C 1.827 179.483 177.584 0.121 0.000 1.049 78 A CA 0.346 52.445 52.037 0.104 0.000 0.767 78 A CB -0.453 18.594 19.000 0.080 0.000 0.965 78 A HN 0.737 nan 8.150 nan 0.000 0.514 79 A N 2.888 125.831 122.820 0.205 0.000 2.121 79 A HA -0.129 4.190 4.320 -0.001 0.000 0.218 79 A C 1.581 179.259 177.584 0.156 0.000 1.154 79 A CA 1.566 53.743 52.037 0.233 0.000 0.679 79 A CB -0.496 18.590 19.000 0.143 0.000 0.795 79 A HN 1.063 nan 8.150 nan 0.000 0.458 80 N N -0.208 118.557 118.700 0.109 0.000 2.280 80 N HA 0.180 4.919 4.740 -0.001 0.000 0.192 80 N C 0.758 176.365 175.510 0.162 0.000 1.109 80 N CA 0.683 53.793 53.050 0.100 0.000 0.855 80 N CB -0.497 38.020 38.487 0.051 0.000 0.974 80 N HN 0.218 nan 8.380 nan 0.000 0.482 81 G N -1.407 107.426 108.800 0.055 0.000 2.509 81 G HA2 0.639 4.598 3.960 -0.001 0.000 0.269 81 G HA3 0.639 4.598 3.960 -0.001 0.000 0.269 81 G C 0.158 175.007 174.900 -0.086 0.000 1.416 81 G CA -0.118 44.900 45.100 -0.137 0.000 1.052 81 G HN 0.595 nan 8.290 nan 0.000 0.542 82 G N -1.749 106.841 108.800 -0.350 0.000 2.288 82 G HA2 0.163 4.123 3.960 -0.001 0.000 0.227 82 G HA3 0.163 4.123 3.960 -0.001 0.000 0.227 82 G C -2.333 172.469 174.900 -0.163 0.000 1.339 82 G CA 0.232 45.252 45.100 -0.133 0.000 1.057 82 G HN 0.430 nan 8.290 nan 0.000 0.470 83 P HA 0.002 nan 4.420 nan 0.000 0.223 83 P C 1.292 178.643 177.300 0.085 0.000 1.144 83 P CA 1.737 64.888 63.100 0.084 0.000 0.783 83 P CB -0.201 31.572 31.700 0.120 0.000 0.771 84 H N -1.387 117.669 119.070 -0.023 0.000 2.548 84 H HA 0.111 4.667 4.556 -0.001 0.000 0.268 84 H C 1.664 176.941 175.328 -0.086 0.000 0.975 84 H CA 0.544 56.571 56.048 -0.035 0.000 1.195 84 H CB -0.665 29.075 29.762 -0.038 0.000 1.397 84 H HN 0.220 nan 8.280 nan 0.000 0.572 85 E N 1.268 121.144 120.200 -0.540 0.000 2.086 85 E HA -0.206 4.144 4.350 -0.001 0.000 0.200 85 E C 0.488 176.778 176.600 -0.518 0.000 1.012 85 E CA 1.619 57.643 56.400 -0.626 0.000 0.812 85 E CB -0.167 28.987 29.700 -0.910 0.000 0.743 85 E HN 0.500 nan 8.360 nan 0.000 0.453 86 F N -0.316 119.617 119.950 -0.029 0.000 2.641 86 F HA 0.112 4.639 4.527 -0.001 0.000 0.302 86 F C 1.318 177.047 175.800 -0.118 0.000 1.098 86 F CA -0.784 57.187 58.000 -0.048 0.000 1.318 86 F CB 0.401 39.440 39.000 0.065 0.000 1.035 86 F HN 0.072 nan 8.300 nan 0.000 0.551 87 L N 0.541 121.795 121.223 0.052 0.000 1.989 87 L HA -0.176 4.163 4.340 -0.001 0.000 0.211 87 L C 2.438 179.294 176.870 -0.023 0.000 1.071 87 L CA 1.755 56.608 54.840 0.022 0.000 0.749 87 L CB -0.837 41.244 42.059 0.036 0.000 0.890 87 L HN 0.114 nan 8.230 nan 0.000 0.431 88 R N -1.285 119.197 120.500 -0.030 0.000 2.066 88 R HA -0.159 4.180 4.340 -0.001 0.000 0.232 88 R C 2.149 178.400 176.300 -0.081 0.000 1.131 88 R CA 1.311 57.380 56.100 -0.053 0.000 0.955 88 R CB -0.744 29.524 30.300 -0.053 0.000 0.851 88 R HN 0.208 nan 8.270 nan 0.000 0.432 89 L N 1.318 122.503 121.223 -0.064 0.000 2.012 89 L HA -0.208 4.131 4.340 -0.001 0.000 0.210 89 L C 2.352 179.111 176.870 -0.184 0.000 1.073 89 L CA 2.291 57.080 54.840 -0.086 0.000 0.748 89 L CB -0.630 41.464 42.059 0.058 0.000 0.891 89 L HN 0.208 nan 8.230 nan 0.000 0.431 90 S N -2.809 112.730 115.700 -0.268 0.000 2.400 90 S HA -0.262 4.207 4.470 -0.001 0.000 0.232 90 S C 2.068 176.603 174.600 -0.107 0.000 1.025 90 S CA 1.662 59.666 58.200 -0.327 0.000 0.993 90 S CB -1.417 61.508 63.200 -0.460 0.000 0.808 90 S HN 0.603 nan 8.310 nan 0.000 0.478 91 T N 1.487 115.973 114.554 -0.113 0.000 2.803 91 T HA -0.060 4.289 4.350 -0.001 0.000 0.269 91 T C 1.789 176.419 174.700 -0.117 0.000 1.052 91 T CA 1.713 63.765 62.100 -0.081 0.000 1.136 91 T CB -0.818 68.007 68.868 -0.072 0.000 0.864 91 T HN 0.548 nan 8.240 nan 0.000 0.467 92 S N -0.011 115.544 115.700 -0.241 0.000 2.515 92 S HA 0.126 4.596 4.470 -0.001 0.000 0.231 92 S C 1.091 175.443 174.600 -0.415 0.000 0.987 92 S CA 0.474 58.461 58.200 -0.355 0.000 0.936 92 S CB -0.288 62.615 63.200 -0.495 0.000 0.766 92 S HN 0.619 nan 8.310 nan 0.000 0.528 93 F N 0.880 120.803 119.950 -0.045 0.000 2.749 93 F HA 0.270 4.797 4.527 -0.001 0.000 0.300 93 F C 1.063 176.870 175.800 0.012 0.000 1.103 93 F CA -0.537 57.465 58.000 0.004 0.000 1.342 93 F CB 0.077 39.106 39.000 0.048 0.000 1.098 93 F HN 0.049 nan 8.300 nan 0.000 0.586 94 Q N 1.770 121.639 119.800 0.115 0.000 2.263 94 Q HA -0.042 4.298 4.340 -0.001 0.000 0.289 94 Q C 0.564 176.602 176.000 0.063 0.000 1.061 94 Q CA 0.653 56.504 55.803 0.080 0.000 0.927 94 Q CB 0.076 28.835 28.738 0.035 0.000 1.154 94 Q HN 0.230 nan 8.270 nan 0.000 0.378 95 E N 2.549 122.789 120.200 0.066 0.000 3.628 95 E HA -0.224 4.125 4.350 -0.001 0.000 0.309 95 E C -0.170 176.467 176.600 0.061 0.000 0.839 95 E CA 1.256 57.685 56.400 0.049 0.000 1.123 95 E CB -0.979 28.738 29.700 0.030 0.000 1.568 95 E HN 0.823 nan 8.360 nan 0.000 0.440 96 E N -0.674 119.587 120.200 0.101 0.000 2.520 96 E HA 0.205 4.554 4.350 -0.001 0.000 0.201 96 E C 0.546 177.223 176.600 0.129 0.000 0.894 96 E CA 0.409 56.881 56.400 0.121 0.000 1.161 96 E CB 0.746 30.549 29.700 0.170 0.000 1.137 96 E HN 0.033 nan 8.360 nan 0.000 0.510 97 R N 1.158 121.759 120.500 0.168 0.000 2.643 97 R HA 0.301 4.640 4.340 -0.001 0.000 0.269 97 R C -1.147 175.202 176.300 0.082 0.000 1.037 97 R CA -0.650 55.505 56.100 0.091 0.000 0.894 97 R CB 1.312 31.640 30.300 0.046 0.000 1.238 97 R HN -0.026 nan 8.270 nan 0.000 0.459 98 D N 1.228 121.640 120.400 0.020 0.000 2.399 98 D HA 0.192 4.831 4.640 -0.001 0.000 0.241 98 D C -0.680 175.623 176.300 0.005 0.000 1.133 98 D CA 0.594 54.608 54.000 0.023 0.000 0.890 98 D CB 0.549 41.335 40.800 -0.023 0.000 1.201 98 D HN 0.228 nan 8.370 nan 0.000 0.432 99 F N 2.040 121.924 119.950 -0.110 0.000 2.539 99 F HA 0.369 4.895 4.527 -0.001 0.000 0.328 99 F C -1.309 174.412 175.800 -0.131 0.000 1.148 99 F CA -0.790 57.100 58.000 -0.183 0.000 0.940 99 F CB 0.755 39.661 39.000 -0.156 0.000 1.194 99 F HN 0.098 nan 8.300 nan 0.000 0.438 100 L N 6.275 127.248 121.223 -0.416 0.000 2.287 100 L HA 0.696 5.036 4.340 -0.001 0.000 0.287 100 L C -0.179 176.500 176.870 -0.318 0.000 1.022 100 L CA -0.892 53.809 54.840 -0.232 0.000 0.814 100 L CB 1.687 43.617 42.059 -0.214 0.000 1.217 100 L HN 0.727 nan 8.230 nan 0.000 0.420 101 A N 4.344 127.145 122.820 -0.032 0.000 2.260 101 A HA 0.660 4.980 4.320 -0.001 0.000 0.308 101 A C -0.353 177.251 177.584 0.033 0.000 1.254 101 A CA -0.430 51.639 52.037 0.054 0.000 0.874 101 A CB 0.695 19.901 19.000 0.344 0.000 1.153 101 A HN 0.426 nan 8.150 nan 0.000 0.527 102 V N 5.233 125.145 119.914 -0.002 0.000 2.427 102 V HA 0.336 4.455 4.120 -0.001 0.000 0.286 102 V C -2.236 173.881 176.094 0.038 0.000 1.034 102 V CA -1.657 60.642 62.300 -0.001 0.000 0.893 102 V CB 1.382 33.178 31.823 -0.046 0.000 0.982 102 V HN 0.767 nan 8.190 nan 0.000 0.452 103 P HA 0.220 nan 4.420 nan 0.000 0.272 103 P C -0.803 176.512 177.300 0.025 0.000 1.223 103 P CA -0.460 62.656 63.100 0.027 0.000 0.784 103 P CB 0.603 32.329 31.700 0.043 0.000 0.923 104 L N 4.924 126.139 121.223 -0.013 0.000 2.264 104 L HA 0.467 4.807 4.340 -0.001 0.000 0.289 104 L C -2.426 174.593 176.870 0.248 0.000 1.044 104 L CA -2.573 52.274 54.840 0.012 0.000 0.807 104 L CB 0.498 42.406 42.059 -0.251 0.000 1.192 104 L HN 0.236 nan 8.230 nan 0.000 0.425 105 P HA 0.269 nan 4.420 nan 0.000 0.262 105 P C 0.493 178.135 177.300 0.571 0.000 1.182 105 P CA 0.830 64.178 63.100 0.414 0.000 0.761 105 P CB 0.720 32.709 31.700 0.482 0.000 0.795 106 G N 0.639 109.679 108.800 0.399 0.000 2.231 106 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.206 106 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.206 106 G C -0.147 174.779 174.900 0.043 0.000 0.996 106 G CA -0.451 44.797 45.100 0.246 0.000 0.645 106 G HN 0.416 nan 8.290 nan 0.000 0.498 107 Y N 0.178 120.561 120.300 0.137 0.000 2.645 107 Y HA 0.625 5.175 4.550 -0.001 0.000 0.341 107 Y C 1.462 177.403 175.900 0.068 0.000 1.234 107 Y CA 0.149 58.302 58.100 0.088 0.000 1.352 107 Y CB 0.023 38.524 38.460 0.069 0.000 1.556 107 Y HN 1.247 nan 8.280 nan 0.000 0.607 115 T N -0.070 114.500 114.554 0.026 0.000 3.132 115 T HA 0.566 4.915 4.350 -0.001 0.000 0.274 115 T C 1.280 176.001 174.700 0.035 0.000 1.011 115 T CA 0.936 63.052 62.100 0.027 0.000 0.899 115 T CB -0.236 68.649 68.868 0.028 0.000 1.089 115 T HN 0.933 nan 8.240 nan 0.000 0.543 116 A N 1.917 124.760 122.820 0.039 0.000 2.520 116 A HA 0.516 4.836 4.320 -0.001 0.000 0.245 116 A C 0.302 177.935 177.584 0.081 0.000 1.072 116 A CA -0.138 51.934 52.037 0.058 0.000 0.761 116 A CB -0.107 18.937 19.000 0.072 0.000 1.004 116 A HN 0.643 nan 8.150 nan 0.000 0.499 117 L N 2.517 123.818 121.223 0.129 0.000 2.461 117 L HA 0.192 4.531 4.340 -0.001 0.000 0.272 117 L C 0.163 177.221 176.870 0.314 0.000 1.197 117 L CA -0.077 54.891 54.840 0.212 0.000 0.836 117 L CB 0.268 42.512 42.059 0.308 0.000 1.105 117 L HN 0.567 nan 8.230 nan 0.000 0.477 118 L N 4.033 125.348 121.223 0.155 0.000 2.343 118 L HA 0.438 4.777 4.340 -0.001 0.000 0.275 118 L C -2.044 174.689 176.870 -0.228 0.000 1.056 118 L CA -1.993 52.870 54.840 0.037 0.000 0.804 118 L CB 1.449 43.440 42.059 -0.114 0.000 1.203 118 L HN 0.365 nan 8.230 nan 0.000 0.440 119 P HA 0.028 nan 4.420 nan 0.000 0.271 119 P C -0.038 176.982 177.300 -0.467 0.000 1.216 119 P CA -0.165 62.340 63.100 -0.993 0.000 0.771 119 P CB 1.320 32.767 31.700 -0.421 0.000 0.864 120 A N 3.635 126.141 122.820 -0.523 0.000 1.933 120 A HA -0.103 4.216 4.320 -0.001 0.000 0.218 120 A C 0.570 178.063 177.584 -0.151 0.000 1.175 120 A CA 1.737 53.627 52.037 -0.245 0.000 0.628 120 A CB -0.848 18.023 19.000 -0.216 0.000 0.814 120 A HN 0.740 nan 8.150 nan 0.000 0.444 121 D N -4.172 116.035 120.400 -0.322 0.000 2.615 121 D HA 0.350 4.990 4.640 -0.001 0.000 0.267 121 D C 0.457 176.188 176.300 -0.947 0.000 1.236 121 D CA -0.748 52.872 54.000 -0.633 0.000 0.839 121 D CB 0.275 40.853 40.800 -0.370 0.000 1.380 121 D HN -0.121 nan 8.370 nan 0.000 0.433 122 L N 0.113 120.494 121.223 -1.402 0.000 2.012 122 L HA -0.159 4.180 4.340 -0.001 0.000 0.210 122 L C 0.930 177.653 176.870 -0.244 0.000 1.073 122 L CA 1.891 56.266 54.840 -0.776 0.000 0.748 122 L CB -0.259 41.499 42.059 -0.503 0.000 0.891 122 L HN 0.491 nan 8.230 nan 0.000 0.431 123 D N -0.748 119.534 120.400 -0.197 0.000 2.149 123 D HA -0.175 4.465 4.640 -0.001 0.000 0.198 123 D C 2.018 178.319 176.300 0.002 0.000 0.990 123 D CA 1.697 55.667 54.000 -0.049 0.000 0.839 123 D CB -0.111 40.665 40.800 -0.040 0.000 0.948 123 D HN 0.350 nan 8.370 nan 0.000 0.460 124 T N 0.320 114.845 114.554 -0.047 0.000 2.821 124 T HA -0.069 4.280 4.350 -0.001 0.000 0.267 124 T C 1.994 176.822 174.700 0.213 0.000 1.046 124 T CA 1.340 63.471 62.100 0.051 0.000 1.139 124 T CB -0.165 68.668 68.868 -0.059 0.000 0.871 124 T HN 0.200 nan 8.240 nan 0.000 0.454 125 A N 1.210 124.138 122.820 0.181 0.000 1.898 125 A HA 0.100 4.419 4.320 -0.001 0.000 0.216 125 A C 2.276 180.015 177.584 0.259 0.000 1.181 125 A CA 0.955 53.212 52.037 0.367 0.000 0.620 125 A CB -0.751 18.510 19.000 0.436 0.000 0.819 125 A HN 0.459 nan 8.150 nan 0.000 0.442 126 L N -0.443 120.888 121.223 0.180 0.000 2.083 126 L HA -0.183 4.157 4.340 -0.001 0.000 0.209 126 L C 1.952 178.892 176.870 0.117 0.000 1.083 126 L CA 1.329 56.250 54.840 0.135 0.000 0.752 126 L CB -0.630 41.499 42.059 0.117 0.000 0.899 126 L HN 0.312 nan 8.230 nan 0.000 0.433 127 D N 0.233 120.730 120.400 0.161 0.000 2.117 127 D HA -0.119 4.520 4.640 -0.001 0.000 0.198 127 D C 2.263 178.624 176.300 0.102 0.000 0.982 127 D CA 1.422 55.544 54.000 0.203 0.000 0.828 127 D CB 0.010 40.945 40.800 0.225 0.000 0.967 127 D HN 0.279 nan 8.370 nan 0.000 0.464 128 A N 0.937 123.831 122.820 0.124 0.000 1.908 128 A HA -0.247 4.072 4.320 -0.001 0.000 0.218 128 A C 2.134 179.728 177.584 0.017 0.000 1.181 128 A CA 1.514 53.591 52.037 0.067 0.000 0.627 128 A CB -0.619 18.427 19.000 0.077 0.000 0.818 128 A HN 0.222 nan 8.150 nan 0.000 0.445 129 Q N -0.848 118.972 119.800 0.034 0.000 2.079 129 Q HA -0.079 4.261 4.340 -0.001 0.000 0.200 129 Q C 2.502 178.453 176.000 -0.082 0.000 0.974 129 Q CA 1.190 56.989 55.803 -0.008 0.000 0.840 129 Q CB -0.392 28.357 28.738 0.019 0.000 0.898 129 Q HN 0.684 nan 8.270 nan 0.000 0.430 130 A N 1.683 124.418 122.820 -0.142 0.000 1.873 130 A HA -0.268 4.051 4.320 -0.001 0.000 0.218 130 A C 2.038 179.447 177.584 -0.292 0.000 1.193 130 A CA 1.755 53.599 52.037 -0.322 0.000 0.629 130 A CB -0.551 18.009 19.000 -0.734 0.000 0.826 130 A HN 0.263 nan 8.150 nan 0.000 0.447 131 R N -0.544 119.829 120.500 -0.212 0.000 2.091 131 R HA -0.081 4.258 4.340 -0.001 0.000 0.238 131 R C 2.466 178.714 176.300 -0.087 0.000 1.136 131 R CA 1.301 57.331 56.100 -0.116 0.000 0.959 131 R CB -0.550 29.727 30.300 -0.038 0.000 0.856 131 R HN 0.515 nan 8.270 nan 0.000 0.437 132 A N 1.225 124.000 122.820 -0.075 0.000 1.933 132 A HA -0.113 4.206 4.320 -0.001 0.000 0.218 132 A C 2.169 179.709 177.584 -0.074 0.000 1.175 132 A CA 1.148 53.149 52.037 -0.060 0.000 0.628 132 A CB -0.420 18.552 19.000 -0.046 0.000 0.814 132 A HN 0.175 nan 8.150 nan 0.000 0.444 133 I N -0.406 120.106 120.570 -0.098 0.000 2.163 133 I HA -0.235 3.935 4.170 -0.001 0.000 0.240 133 I C 2.382 178.435 176.117 -0.106 0.000 1.081 133 I CA 1.076 62.310 61.300 -0.110 0.000 1.353 133 I CB -0.405 37.516 38.000 -0.131 0.000 1.054 133 I HN 0.274 nan 8.210 nan 0.000 0.407 134 L N 0.354 121.507 121.223 -0.116 0.000 2.043 134 L HA -0.261 4.078 4.340 -0.001 0.000 0.212 134 L C 2.809 179.636 176.870 -0.070 0.000 1.075 134 L CA 1.479 56.261 54.840 -0.096 0.000 0.752 134 L CB -0.665 41.335 42.059 -0.099 0.000 0.891 134 L HN 0.272 nan 8.230 nan 0.000 0.432 135 R N 0.232 120.694 120.500 -0.063 0.000 2.073 135 R HA -0.183 4.156 4.340 -0.001 0.000 0.234 135 R C 2.319 178.591 176.300 -0.047 0.000 1.134 135 R CA 1.565 57.637 56.100 -0.047 0.000 0.952 135 R CB -0.219 30.058 30.300 -0.040 0.000 0.850 135 R HN 0.348 nan 8.270 nan 0.000 0.433 136 A N 0.441 123.228 122.820 -0.055 0.000 1.930 136 A HA -0.009 4.310 4.320 -0.001 0.000 0.217 136 A C 2.273 179.820 177.584 -0.061 0.000 1.175 136 A CA 1.449 53.453 52.037 -0.054 0.000 0.627 136 A CB -0.565 18.399 19.000 -0.060 0.000 0.815 136 A HN 0.527 nan 8.150 nan 0.000 0.443 137 A N -1.483 121.293 122.820 -0.074 0.000 2.014 137 A HA 0.382 4.702 4.320 -0.001 0.000 0.218 137 A C 2.092 179.639 177.584 -0.062 0.000 1.163 137 A CA 1.644 53.634 52.037 -0.078 0.000 0.652 137 A CB -1.144 17.799 19.000 -0.095 0.000 0.808 137 A HN 1.948 nan 8.150 nan 0.000 0.449 138 G N -0.374 108.394 108.800 -0.054 0.000 2.565 138 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.295 138 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.295 138 G C 0.432 175.305 174.900 -0.044 0.000 1.165 138 G CA 0.483 45.557 45.100 -0.043 0.000 0.977 138 G HN 0.340 nan 8.290 nan 0.000 0.546 139 D N 2.147 122.523 120.400 -0.040 0.000 2.339 139 D HA 0.407 5.047 4.640 -0.001 0.000 0.217 139 D C 1.404 177.677 176.300 -0.046 0.000 1.050 139 D CA 0.847 54.823 54.000 -0.039 0.000 0.856 139 D CB 0.128 40.908 40.800 -0.032 0.000 0.922 139 D HN 0.770 nan 8.370 nan 0.000 0.518 140 A N 2.118 124.907 122.820 -0.052 0.000 2.388 140 A HA 0.396 4.715 4.320 -0.001 0.000 0.257 140 A C -2.233 175.309 177.584 -0.070 0.000 1.095 140 A CA -0.919 51.082 52.037 -0.060 0.000 0.791 140 A CB 0.168 19.129 19.000 -0.064 0.000 1.029 140 A HN -0.115 nan 8.150 nan 0.000 0.489 141 P HA 0.305 nan 4.420 nan 0.000 0.269 141 P C -0.817 176.425 177.300 -0.096 0.000 1.215 141 P CA -0.123 62.929 63.100 -0.080 0.000 0.780 141 P CB 0.738 32.389 31.700 -0.082 0.000 0.898 142 V N 3.071 122.926 119.914 -0.099 0.000 2.555 142 V HA 0.394 4.514 4.120 -0.001 0.000 0.302 142 V C -0.274 175.752 176.094 -0.113 0.000 1.038 142 V CA -0.628 61.600 62.300 -0.121 0.000 0.887 142 V CB 2.169 33.917 31.823 -0.125 0.000 0.991 142 V HN 0.311 nan 8.190 nan 0.000 0.434 143 V N 6.855 126.688 119.914 -0.135 0.000 2.376 143 V HA 0.541 4.661 4.120 -0.001 0.000 0.287 143 V C -0.782 175.223 176.094 -0.148 0.000 1.015 143 V CA -0.505 61.738 62.300 -0.094 0.000 0.834 143 V CB 1.372 33.164 31.823 -0.051 0.000 1.001 143 V HN 0.671 nan 8.190 nan 0.000 0.428 144 L N 7.033 128.186 121.223 -0.117 0.000 2.397 144 L HA 0.560 4.900 4.340 -0.001 0.000 0.271 144 L C -0.179 176.605 176.870 -0.142 0.000 1.148 144 L CA 0.430 55.178 54.840 -0.153 0.000 0.825 144 L CB 1.248 43.242 42.059 -0.108 0.000 1.117 144 L HN 0.719 nan 8.230 nan 0.000 0.456 145 L N 1.886 122.996 121.223 -0.189 0.000 2.431 145 L HA 0.912 5.252 4.340 -0.001 0.000 0.266 145 L C -0.486 176.362 176.870 -0.036 0.000 0.978 145 L CA -0.037 54.732 54.840 -0.118 0.000 0.822 145 L CB 1.990 43.970 42.059 -0.132 0.000 1.310 145 L HN 0.644 nan 8.230 nan 0.000 0.409 146 G N 1.593 110.434 108.800 0.068 0.000 2.704 146 G HA2 0.327 4.286 3.960 -0.001 0.000 0.293 146 G HA3 0.327 4.286 3.960 -0.001 0.000 0.293 146 G C -2.342 172.698 174.900 0.233 0.000 1.421 146 G CA -0.437 44.777 45.100 0.189 0.000 0.870 146 G HN 0.748 nan 8.290 nan 0.000 0.492 147 H N 1.042 120.204 119.070 0.153 0.000 2.547 147 H HA 0.560 5.116 4.556 -0.001 0.000 0.342 147 H C 0.761 176.142 175.328 0.088 0.000 1.048 147 H CA 0.369 56.474 56.048 0.094 0.000 1.204 147 H CB 1.821 31.627 29.762 0.072 0.000 1.493 147 H HN 0.825 nan 8.280 nan 0.000 0.511 148 S N 2.838 118.390 115.700 -0.247 0.000 4.138 148 S HA -0.338 4.131 4.470 -0.001 0.000 0.574 148 S C 1.911 176.544 174.600 0.055 0.000 1.895 148 S CA 1.879 60.024 58.200 -0.091 0.000 4.239 148 S CB -1.629 61.413 63.200 -0.262 0.000 0.264 148 S HN 1.045 nan 8.310 nan 0.000 0.489 149 G N 0.824 109.667 108.800 0.073 0.000 2.469 149 G HA2 0.008 3.967 3.960 -0.001 0.000 0.220 149 G HA3 0.008 3.967 3.960 -0.001 0.000 0.220 149 G C 1.565 176.517 174.900 0.087 0.000 1.136 149 G CA 1.349 46.516 45.100 0.112 0.000 0.759 149 G HN 1.363 nan 8.290 nan 0.000 0.562 150 G N 0.835 109.671 108.800 0.059 0.000 2.422 150 G HA2 0.097 4.057 3.960 -0.001 0.000 0.218 150 G HA3 0.097 4.057 3.960 -0.001 0.000 0.218 150 G C 1.975 176.925 174.900 0.083 0.000 1.140 150 G CA 1.409 46.556 45.100 0.079 0.000 0.775 150 G HN 0.633 nan 8.290 nan 0.000 0.545 151 A N 0.822 123.683 122.820 0.068 0.000 1.873 151 A HA 0.115 4.435 4.320 -0.001 0.000 0.215 151 A C 2.406 179.984 177.584 -0.010 0.000 1.186 151 A CA 1.166 53.205 52.037 0.003 0.000 0.616 151 A CB -0.416 18.573 19.000 -0.018 0.000 0.823 151 A HN 0.335 nan 8.150 nan 0.000 0.442 152 L N -0.648 120.625 121.223 0.083 0.000 2.079 152 L HA -0.192 4.147 4.340 -0.001 0.000 0.210 152 L C 2.532 179.512 176.870 0.183 0.000 1.081 152 L CA 1.060 56.005 54.840 0.176 0.000 0.752 152 L CB -0.650 41.551 42.059 0.237 0.000 0.896 152 L HN 0.356 nan 8.230 nan 0.000 0.433 153 L N -0.369 120.938 121.223 0.140 0.000 2.093 153 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 153 L C 2.915 179.840 176.870 0.091 0.000 1.085 153 L CA 0.943 55.862 54.840 0.132 0.000 0.755 153 L CB -0.662 41.451 42.059 0.090 0.000 0.904 153 L HN 0.228 nan 8.230 nan 0.000 0.435 154 A N -0.749 122.101 122.820 0.050 0.000 1.908 154 A HA -0.292 4.028 4.320 -0.001 0.000 0.218 154 A C 2.306 179.895 177.584 0.008 0.000 1.181 154 A CA 1.846 53.885 52.037 0.003 0.000 0.627 154 A CB -0.913 18.065 19.000 -0.037 0.000 0.818 154 A HN 0.522 nan 8.150 nan 0.000 0.445 155 H N -0.359 118.683 119.070 -0.047 0.000 2.357 155 H HA -0.083 4.473 4.556 -0.001 0.000 0.301 155 H C 1.715 177.127 175.328 0.140 0.000 1.082 155 H CA 1.679 57.732 56.048 0.009 0.000 1.342 155 H CB 0.027 29.778 29.762 -0.020 0.000 1.389 155 H HN 0.404 nan 8.280 nan 0.000 0.511 156 E N 0.911 121.181 120.200 0.117 0.000 2.110 156 E HA -0.137 4.213 4.350 -0.001 0.000 0.193 156 E C 2.473 179.121 176.600 0.079 0.000 0.988 156 E CA 0.481 56.954 56.400 0.123 0.000 0.804 156 E CB -0.514 29.306 29.700 0.199 0.000 0.745 156 E HN 0.381 nan 8.360 nan 0.000 0.458 157 L N 0.883 122.136 121.223 0.049 0.000 2.056 157 L HA -0.036 4.303 4.340 -0.001 0.000 0.207 157 L C 2.168 179.031 176.870 -0.011 0.000 1.078 157 L CA 1.985 56.841 54.840 0.028 0.000 0.749 157 L CB -0.823 41.240 42.059 0.008 0.000 0.901 157 L HN 0.040 nan 8.230 nan 0.000 0.433 158 A N -0.784 122.005 122.820 -0.052 0.000 1.883 158 A HA -0.286 4.033 4.320 -0.001 0.000 0.217 158 A C 2.291 179.847 177.584 -0.047 0.000 1.186 158 A CA 2.011 54.009 52.037 -0.064 0.000 0.624 158 A CB -1.261 17.691 19.000 -0.081 0.000 0.822 158 A HN 0.552 nan 8.150 nan 0.000 0.444 159 F N 0.489 120.317 119.950 -0.204 0.000 2.134 159 F HA -0.119 4.407 4.527 -0.001 0.000 0.299 159 F C 2.259 178.039 175.800 -0.033 0.000 1.097 159 F CA 1.968 59.894 58.000 -0.123 0.000 1.264 159 F CB -0.192 38.721 39.000 -0.145 0.000 1.001 159 F HN 0.188 nan 8.300 nan 0.000 0.479 160 R N 0.762 121.237 120.500 -0.041 0.000 2.081 160 R HA -0.115 4.224 4.340 -0.001 0.000 0.235 160 R C 2.201 178.497 176.300 -0.005 0.000 1.131 160 R CA 1.828 57.900 56.100 -0.046 0.000 0.960 160 R CB -1.047 29.309 30.300 0.094 0.000 0.856 160 R HN 0.456 nan 8.270 nan 0.000 0.436 161 L N 0.227 121.462 121.223 0.020 0.000 2.042 161 L HA -0.181 4.159 4.340 -0.001 0.000 0.210 161 L C 2.563 179.423 176.870 -0.018 0.000 1.076 161 L CA 1.987 56.859 54.840 0.054 0.000 0.749 161 L CB -0.526 41.506 42.059 -0.045 0.000 0.893 161 L HN 0.422 nan 8.230 nan 0.000 0.432 162 E N -0.144 119.973 120.200 -0.138 0.000 2.031 162 E HA -0.217 4.132 4.350 -0.001 0.000 0.193 162 E C 2.324 178.777 176.600 -0.245 0.000 0.994 162 E CA 1.021 57.312 56.400 -0.181 0.000 0.800 162 E CB 0.196 29.766 29.700 -0.216 0.000 0.752 162 E HN 0.257 nan 8.360 nan 0.000 0.447 163 R N -0.475 119.767 120.500 -0.430 0.000 2.127 163 R HA 0.108 4.448 4.340 -0.001 0.000 0.217 163 R C 1.652 177.795 176.300 -0.261 0.000 1.074 163 R CA 1.054 56.922 56.100 -0.387 0.000 0.991 163 R CB -0.126 29.803 30.300 -0.619 0.000 0.895 163 R HN 0.209 nan 8.270 nan 0.000 0.450 164 A N -0.213 122.445 122.820 -0.269 0.000 2.343 164 A HA 0.112 4.431 4.320 -0.001 0.000 0.223 164 A C 0.632 177.842 177.584 -0.623 0.000 1.214 164 A CA 0.091 51.892 52.037 -0.392 0.000 0.900 164 A CB 0.086 18.834 19.000 -0.421 0.000 0.942 164 A HN 0.226 nan 8.150 nan 0.000 0.507 165 H N -1.404 117.608 119.070 -0.096 0.000 3.052 165 H HA 0.206 4.762 4.556 -0.001 0.000 0.257 165 H C 1.428 176.712 175.328 -0.074 0.000 1.193 165 H CA 0.194 56.199 56.048 -0.073 0.000 1.072 165 H CB 0.305 30.027 29.762 -0.067 0.000 1.685 165 H HN 0.520 nan 8.280 nan 0.000 0.630 166 G N 1.951 110.736 108.800 -0.025 0.000 2.309 166 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.286 166 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.286 166 G C 0.482 175.371 174.900 -0.019 0.000 1.002 166 G CA 0.665 45.743 45.100 -0.036 0.000 0.786 166 G HN 0.597 nan 8.290 nan 0.000 0.511 167 A N 0.501 123.318 122.820 -0.005 0.000 3.105 167 A HA 0.709 5.028 4.320 -0.001 0.000 0.336 167 A C -1.775 175.787 177.584 -0.036 0.000 1.042 167 A CA -1.081 50.945 52.037 -0.019 0.000 0.851 167 A CB 1.258 20.249 19.000 -0.014 0.000 1.068 167 A HN 0.235 nan 8.150 nan 0.000 0.477 168 P HA 0.205 nan 4.420 nan 0.000 0.271 168 P C -2.508 174.771 177.300 -0.036 0.000 1.220 168 P CA -0.598 62.479 63.100 -0.038 0.000 0.768 168 P CB 0.503 32.188 31.700 -0.025 0.000 0.848 169 P HA 0.033 nan 4.420 nan 0.000 0.271 169 P C 0.570 177.850 177.300 -0.035 0.000 1.233 169 P CA -0.185 62.888 63.100 -0.045 0.000 0.789 169 P CB 0.572 32.243 31.700 -0.048 0.000 0.951 170 A N 0.651 123.438 122.820 -0.054 0.000 2.167 170 A HA 0.373 4.692 4.320 -0.001 0.000 0.214 170 A C 1.070 178.617 177.584 -0.061 0.000 1.151 170 A CA 1.352 53.346 52.037 -0.071 0.000 0.735 170 A CB -0.825 18.111 19.000 -0.107 0.000 0.802 170 A HN 0.823 nan 8.150 nan 0.000 0.467 171 G N -1.554 107.249 108.800 0.005 0.000 2.368 171 G HA2 0.471 4.430 3.960 -0.001 0.000 0.293 171 G HA3 0.471 4.430 3.960 -0.001 0.000 0.293 171 G C -1.660 173.333 174.900 0.155 0.000 1.467 171 G CA -0.558 44.629 45.100 0.144 0.000 0.804 171 G HN 0.089 nan 8.290 nan 0.000 0.535 172 I N 0.659 121.349 120.570 0.200 0.000 2.534 172 I HA 0.418 4.588 4.170 -0.001 0.000 0.288 172 I C -0.371 175.674 176.117 -0.121 0.000 1.077 172 I CA -1.052 60.256 61.300 0.014 0.000 1.051 172 I CB 1.490 39.467 38.000 -0.039 0.000 1.234 172 I HN 0.257 nan 8.210 nan 0.000 0.425 173 V N 6.912 126.742 119.914 -0.141 0.000 2.328 173 V HA 0.406 4.525 4.120 -0.001 0.000 0.278 173 V C 0.135 176.112 176.094 -0.195 0.000 1.021 173 V CA -0.485 61.678 62.300 -0.229 0.000 0.838 173 V CB 1.578 33.333 31.823 -0.113 0.000 0.999 173 V HN 0.410 nan 8.190 nan 0.000 0.447 174 L N 6.021 127.080 121.223 -0.273 0.000 2.277 174 L HA 0.499 4.838 4.340 -0.001 0.000 0.284 174 L C -0.395 176.406 176.870 -0.115 0.000 1.028 174 L CA -0.614 54.082 54.840 -0.241 0.000 0.835 174 L CB 1.493 43.269 42.059 -0.473 0.000 1.215 174 L HN 0.344 nan 8.230 nan 0.000 0.425 175 V N 2.358 122.281 119.914 0.016 0.000 2.368 175 V HA 0.107 4.227 4.120 -0.001 0.000 0.266 175 V C 0.147 176.362 176.094 0.202 0.000 1.045 175 V CA -0.208 62.164 62.300 0.120 0.000 0.899 175 V CB 0.815 32.760 31.823 0.203 0.000 1.006 175 V HN 0.814 nan 8.190 nan 0.000 0.470 176 D N 3.572 124.061 120.400 0.148 0.000 2.697 176 D HA -0.117 4.522 4.640 -0.001 0.000 0.238 176 D C -2.228 174.162 176.300 0.150 0.000 1.152 176 D CA 0.489 54.602 54.000 0.187 0.000 0.666 176 D CB -0.074 40.960 40.800 0.389 0.000 1.037 176 D HN 0.503 nan 8.370 nan 0.000 0.423 177 P HA 0.171 nan 4.420 nan 0.000 0.284 177 P C -0.852 176.425 177.300 -0.039 0.000 1.253 177 P CA -0.228 62.927 63.100 0.093 0.000 0.800 177 P CB 0.491 32.255 31.700 0.106 0.000 0.961 178 Y N 3.362 123.785 120.300 0.205 0.000 2.749 178 Y HA 0.291 4.841 4.550 -0.001 0.000 0.343 178 Y C -1.778 174.232 175.900 0.183 0.000 1.015 178 Y CA -2.084 56.118 58.100 0.170 0.000 1.270 178 Y CB 1.463 39.941 38.460 0.029 0.000 1.097 178 Y HN 0.310 nan 8.280 nan 0.000 0.571 179 P HA 0.197 nan 4.420 nan 0.000 0.276 179 P C -2.735 174.657 177.300 0.154 0.000 1.261 179 P CA -1.913 61.316 63.100 0.215 0.000 0.800 179 P CB 0.920 32.668 31.700 0.081 0.000 1.066 180 P HA 0.021 nan 4.420 nan 0.000 0.268 180 P C 0.868 178.198 177.300 0.051 0.000 1.205 180 P CA 1.055 64.198 63.100 0.073 0.000 0.771 180 P CB 0.008 31.738 31.700 0.051 0.000 0.858 181 G N 1.225 110.059 108.800 0.056 0.000 2.259 181 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.217 181 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.217 181 G C 0.287 175.249 174.900 0.104 0.000 1.001 181 G CA 0.016 45.140 45.100 0.039 0.000 0.627 181 G HN 0.797 nan 8.290 nan 0.000 0.501 182 H N 0.485 119.565 119.070 0.016 0.000 2.597 182 H HA 0.356 4.912 4.556 -0.001 0.000 0.225 182 H C 0.528 175.945 175.328 0.149 0.000 1.422 182 H CA -0.308 55.767 56.048 0.045 0.000 1.335 182 H CB 0.230 29.991 29.762 -0.001 0.000 1.783 182 H HN 0.238 nan 8.280 nan 0.000 0.513 183 Q N 0.592 120.391 119.800 -0.002 0.000 2.247 183 Q HA -0.008 4.331 4.340 -0.001 0.000 0.211 183 Q C 1.472 177.397 176.000 -0.124 0.000 0.861 183 Q CA 0.009 55.786 55.803 -0.044 0.000 0.949 183 Q CB 0.985 29.733 28.738 0.017 0.000 1.115 183 Q HN 0.704 nan 8.270 nan 0.000 0.507 184 E N 1.289 121.417 120.200 -0.119 0.000 2.085 184 E HA -0.158 4.192 4.350 -0.001 0.000 0.194 184 E C -0.915 175.608 176.600 -0.128 0.000 0.994 184 E CA 1.132 57.506 56.400 -0.043 0.000 0.801 184 E CB -0.137 29.630 29.700 0.112 0.000 0.743 184 E HN 0.194 nan 8.360 nan 0.000 0.453 185 P HA -0.134 nan 4.420 nan 0.000 0.217 185 P C 1.533 178.382 177.300 -0.752 0.000 1.150 185 P CA 1.418 63.976 63.100 -0.903 0.000 0.832 185 P CB -0.188 30.792 31.700 -1.201 0.000 0.787 186 I N -1.910 118.328 120.570 -0.555 0.000 2.394 186 I HA -0.144 4.025 4.170 -0.001 0.000 0.251 186 I C 1.730 177.773 176.117 -0.124 0.000 1.136 186 I CA 1.652 62.757 61.300 -0.326 0.000 1.425 186 I CB -1.195 36.669 38.000 -0.226 0.000 1.079 186 I HN -0.104 nan 8.210 nan 0.000 0.425 187 E N 1.068 121.203 120.200 -0.110 0.000 2.051 187 E HA -0.074 4.275 4.350 -0.001 0.000 0.189 187 E C 2.333 178.925 176.600 -0.012 0.000 0.979 187 E CA 1.341 57.730 56.400 -0.018 0.000 0.803 187 E CB -0.230 29.462 29.700 -0.014 0.000 0.761 187 E HN 0.406 nan 8.360 nan 0.000 0.451 188 V N 0.537 120.400 119.914 -0.084 0.000 2.515 188 V HA -0.176 3.944 4.120 -0.001 0.000 0.250 188 V C 1.036 177.195 176.094 0.108 0.000 1.058 188 V CA 1.122 63.396 62.300 -0.045 0.000 1.064 188 V CB -0.271 31.495 31.823 -0.094 0.000 0.675 188 V HN 0.423 nan 8.190 nan 0.000 0.461 189 W N 0.060 121.358 121.300 -0.004 0.000 3.067 189 W HA 0.317 4.976 4.660 -0.001 0.000 0.417 189 W C 2.194 178.658 176.519 -0.092 0.000 1.029 189 W CA -0.074 57.236 57.345 -0.059 0.000 1.992 189 W CB -1.209 28.172 29.460 -0.131 0.000 1.122 189 W HN 0.436 nan 8.180 nan 0.000 0.681 190 S N 0.439 116.210 115.700 0.117 0.000 2.374 190 S HA -0.293 4.177 4.470 -0.001 0.000 0.227 190 S C 1.955 176.503 174.600 -0.087 0.000 1.037 190 S CA 1.365 59.581 58.200 0.027 0.000 1.024 190 S CB -0.385 62.921 63.200 0.176 0.000 0.861 190 S HN 0.333 nan 8.310 nan 0.000 0.456 191 R N 1.068 121.584 120.500 0.026 0.000 2.081 191 R HA -0.097 4.243 4.340 -0.001 0.000 0.235 191 R C 2.545 178.819 176.300 -0.044 0.000 1.131 191 R CA 1.754 57.852 56.100 -0.003 0.000 0.960 191 R CB -0.293 30.025 30.300 0.031 0.000 0.856 191 R HN 0.488 nan 8.270 nan 0.000 0.436 192 Q N 0.072 119.875 119.800 0.005 0.000 2.167 192 Q HA -0.061 4.278 4.340 -0.001 0.000 0.202 192 Q C 2.050 178.111 176.000 0.101 0.000 0.970 192 Q CA 1.201 57.020 55.803 0.028 0.000 0.855 192 Q CB 0.001 28.738 28.738 -0.003 0.000 0.911 192 Q HN 0.349 nan 8.270 nan 0.000 0.438 193 L N -0.580 120.660 121.223 0.028 0.000 2.083 193 L HA -0.111 4.229 4.340 -0.001 0.000 0.209 193 L C 2.226 179.036 176.870 -0.099 0.000 1.083 193 L CA 1.178 56.063 54.840 0.076 0.000 0.752 193 L CB -0.708 41.279 42.059 -0.119 0.000 0.899 193 L HN 0.376 nan 8.230 nan 0.000 0.433 194 G N -0.608 107.912 108.800 -0.466 0.000 2.394 194 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.215 194 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.215 194 G C 1.423 176.352 174.900 0.048 0.000 1.165 194 G CA 0.308 45.240 45.100 -0.281 0.000 0.784 194 G HN 0.362 nan 8.290 nan 0.000 0.535 195 E N 0.188 120.381 120.200 -0.013 0.000 2.110 195 E HA -0.046 4.303 4.350 -0.001 0.000 0.193 195 E C 2.720 179.324 176.600 0.007 0.000 0.988 195 E CA 0.581 56.985 56.400 0.007 0.000 0.804 195 E CB -0.261 29.412 29.700 -0.044 0.000 0.745 195 E HN 0.388 nan 8.360 nan 0.000 0.458 196 G N 1.192 109.957 108.800 -0.058 0.000 2.432 196 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.219 196 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.219 196 G C 1.524 176.252 174.900 -0.287 0.000 1.135 196 G CA 0.381 45.252 45.100 -0.382 0.000 0.767 196 G HN 0.114 nan 8.290 nan 0.000 0.550 197 L N -0.581 120.629 121.223 -0.023 0.000 2.056 197 L HA 0.205 4.545 4.340 -0.001 0.000 0.207 197 L C 2.505 179.345 176.870 -0.050 0.000 1.078 197 L CA 1.411 56.273 54.840 0.038 0.000 0.749 197 L CB -0.475 41.727 42.059 0.237 0.000 0.901 197 L HN 0.206 nan 8.230 nan 0.000 0.433 198 F N -0.120 119.807 119.950 -0.038 0.000 2.146 198 F HA 0.082 4.608 4.527 -0.001 0.000 0.298 198 F C 1.764 177.530 175.800 -0.057 0.000 1.096 198 F CA 0.516 58.492 58.000 -0.039 0.000 1.275 198 F CB -0.961 37.986 39.000 -0.089 0.000 1.008 198 F HN 0.057 nan 8.300 nan 0.000 0.480 199 A N -0.361 122.501 122.820 0.069 0.000 2.406 199 A HA 0.426 4.745 4.320 -0.001 0.000 0.243 199 A C 1.574 179.117 177.584 -0.069 0.000 1.082 199 A CA 0.261 52.286 52.037 -0.020 0.000 0.786 199 A CB -0.710 18.242 19.000 -0.080 0.000 1.029 199 A HN 0.903 nan 8.150 nan 0.000 0.495 200 G N 0.009 108.773 108.800 -0.061 0.000 2.180 200 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.263 200 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.263 200 G C 0.095 174.976 174.900 -0.031 0.000 0.989 200 G CA 0.762 45.826 45.100 -0.060 0.000 0.692 200 G HN 1.377 nan 8.290 nan 0.000 0.526 201 E N 0.142 120.327 120.200 -0.025 0.000 2.229 201 E HA 0.581 4.931 4.350 -0.001 0.000 0.283 201 E C 1.370 177.950 176.600 -0.032 0.000 1.030 201 E CA -0.989 55.399 56.400 -0.020 0.000 0.836 201 E CB 0.880 30.558 29.700 -0.036 0.000 1.068 201 E HN 0.217 nan 8.360 nan 0.000 0.401 202 L N 2.002 123.186 121.223 -0.065 0.000 2.291 202 L HA -0.032 4.307 4.340 -0.001 0.000 0.214 202 L C 0.946 177.779 176.870 -0.062 0.000 1.120 202 L CA 0.934 55.714 54.840 -0.100 0.000 0.799 202 L CB -0.804 41.124 42.059 -0.219 0.000 0.925 202 L HN 0.765 nan 8.230 nan 0.000 0.446 203 E N -0.942 119.235 120.200 -0.037 0.000 2.423 203 E HA 0.350 4.699 4.350 -0.001 0.000 0.280 203 E C -2.839 173.765 176.600 0.007 0.000 1.030 203 E CA -2.018 54.375 56.400 -0.011 0.000 0.812 203 E CB 1.289 30.982 29.700 -0.012 0.000 1.313 203 E HN -0.284 nan 8.360 nan 0.000 0.456 204 P HA 0.004 nan 4.420 nan 0.000 0.264 204 P C -0.251 177.071 177.300 0.038 0.000 1.193 204 P CA 0.296 63.420 63.100 0.041 0.000 0.763 204 P CB 0.391 32.129 31.700 0.064 0.000 0.810 205 M N 2.260 121.872 119.600 0.019 0.000 2.269 205 M HA 0.048 4.527 4.480 -0.001 0.000 0.350 205 M C 1.234 177.575 176.300 0.068 0.000 1.429 205 M CA 0.303 55.624 55.300 0.035 0.000 1.063 205 M CB -0.059 32.545 32.600 0.008 0.000 1.841 205 M HN 0.390 nan 8.290 nan 0.000 0.455 206 S N 1.398 117.137 115.700 0.064 0.000 2.585 206 S HA 0.109 4.579 4.470 -0.001 0.000 0.273 206 S C 0.443 175.073 174.600 0.050 0.000 1.339 206 S CA -0.773 57.465 58.200 0.063 0.000 1.028 206 S CB 0.950 64.180 63.200 0.049 0.000 0.906 206 S HN 0.656 nan 8.310 nan 0.000 0.528 207 D N 1.895 122.337 120.400 0.071 0.000 2.144 207 D HA -0.027 4.613 4.640 -0.001 0.000 0.199 207 D C 2.195 178.411 176.300 -0.139 0.000 0.984 207 D CA 1.735 55.754 54.000 0.031 0.000 0.834 207 D CB -0.809 40.104 40.800 0.188 0.000 0.955 207 D HN 0.722 nan 8.370 nan 0.000 0.465 208 A N 0.822 123.592 122.820 -0.084 0.000 1.908 208 A HA -0.200 4.120 4.320 -0.001 0.000 0.218 208 A C 2.176 179.653 177.584 -0.178 0.000 1.181 208 A CA 1.375 53.335 52.037 -0.127 0.000 0.627 208 A CB -0.409 18.555 19.000 -0.060 0.000 0.818 208 A HN 0.127 nan 8.150 nan 0.000 0.445 209 R N -0.829 119.605 120.500 -0.110 0.000 2.115 209 R HA 0.089 4.428 4.340 -0.001 0.000 0.226 209 R C 2.010 178.237 176.300 -0.123 0.000 1.100 209 R CA 1.035 57.067 56.100 -0.114 0.000 0.980 209 R CB -0.382 29.972 30.300 0.090 0.000 0.875 209 R HN 0.497 nan 8.270 nan 0.000 0.445 210 L N 0.498 121.650 121.223 -0.119 0.000 2.093 210 L HA -0.166 4.173 4.340 -0.001 0.000 0.208 210 L C 2.247 178.950 176.870 -0.279 0.000 1.085 210 L CA 1.090 55.831 54.840 -0.166 0.000 0.755 210 L CB -0.291 41.686 42.059 -0.137 0.000 0.904 210 L HN 0.203 nan 8.230 nan 0.000 0.435 211 L N -0.608 120.394 121.223 -0.369 0.000 2.046 211 L HA -0.193 4.147 4.340 -0.001 0.000 0.208 211 L C 2.866 179.538 176.870 -0.331 0.000 1.077 211 L CA 1.145 55.735 54.840 -0.416 0.000 0.747 211 L CB -0.667 41.123 42.059 -0.447 0.000 0.896 211 L HN 0.238 nan 8.230 nan 0.000 0.432 212 A N -0.288 122.322 122.820 -0.349 0.000 1.908 212 A HA -0.296 4.024 4.320 -0.001 0.000 0.218 212 A C 2.339 179.850 177.584 -0.122 0.000 1.181 212 A CA 2.072 53.881 52.037 -0.381 0.000 0.627 212 A CB -0.570 17.885 19.000 -0.909 0.000 0.818 212 A HN 0.444 nan 8.150 nan 0.000 0.445 213 M N -0.267 119.303 119.600 -0.049 0.000 2.080 213 M HA -0.120 4.359 4.480 -0.001 0.000 0.260 213 M C 2.078 178.390 176.300 0.020 0.000 1.068 213 M CA 2.072 57.458 55.300 0.144 0.000 1.109 213 M CB -0.489 32.184 32.600 0.121 0.000 1.342 213 M HN 0.392 nan 8.290 nan 0.000 0.405 214 G N -0.108 108.610 108.800 -0.137 0.000 2.422 214 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.218 214 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.218 214 G C 1.586 176.339 174.900 -0.244 0.000 1.146 214 G CA 1.006 45.989 45.100 -0.195 0.000 0.769 214 G HN 0.504 nan 8.290 nan 0.000 0.547 215 R N -1.020 119.273 120.500 -0.344 0.000 2.075 215 R HA -0.042 4.297 4.340 -0.001 0.000 0.232 215 R C 2.285 178.062 176.300 -0.871 0.000 1.126 215 R CA 1.169 56.883 56.100 -0.643 0.000 0.963 215 R CB -0.376 29.487 30.300 -0.728 0.000 0.858 215 R HN 0.477 nan 8.270 nan 0.000 0.435 216 Y N -0.079 119.977 120.300 -0.407 0.000 2.242 216 Y HA -0.131 4.418 4.550 -0.001 0.000 0.291 216 Y C 2.380 178.264 175.900 -0.026 0.000 1.137 216 Y CA 1.186 59.202 58.100 -0.141 0.000 1.181 216 Y CB -0.197 38.337 38.460 0.123 0.000 0.989 216 Y HN 0.240 nan 8.280 nan 0.000 0.527 217 A N 0.372 123.253 122.820 0.102 0.000 1.908 217 A HA -0.276 4.043 4.320 -0.001 0.000 0.218 217 A C 2.201 179.820 177.584 0.059 0.000 1.181 217 A CA 2.079 54.176 52.037 0.100 0.000 0.627 217 A CB -0.742 18.295 19.000 0.061 0.000 0.818 217 A HN 0.469 nan 8.150 nan 0.000 0.445 218 R N -1.694 118.771 120.500 -0.059 0.000 2.075 218 R HA -0.114 4.225 4.340 -0.001 0.000 0.232 218 R C 1.760 178.121 176.300 0.101 0.000 1.126 218 R CA 1.665 57.743 56.100 -0.037 0.000 0.963 218 R CB -0.447 29.768 30.300 -0.142 0.000 0.858 218 R HN 0.377 nan 8.270 nan 0.000 0.435 219 F N 0.871 120.826 119.950 0.008 0.000 2.095 219 F HA -0.192 4.335 4.527 -0.001 0.000 0.298 219 F C 2.017 177.862 175.800 0.074 0.000 1.104 219 F CA 0.889 58.900 58.000 0.020 0.000 1.232 219 F CB -0.735 38.277 39.000 0.021 0.000 0.987 219 F HN 0.062 nan 8.300 nan 0.000 0.475 220 L N -0.638 120.783 121.223 0.329 0.000 2.362 220 L HA -0.078 4.262 4.340 -0.001 0.000 0.219 220 L C 2.322 179.299 176.870 0.178 0.000 1.134 220 L CA 1.495 56.484 54.840 0.248 0.000 0.807 220 L CB -2.088 40.120 42.059 0.248 0.000 0.927 220 L HN 0.135 nan 8.230 nan 0.000 0.447 221 A N -0.812 122.098 122.820 0.150 0.000 2.195 221 A HA 0.354 4.674 4.320 -0.001 0.000 0.210 221 A C 1.428 179.065 177.584 0.088 0.000 1.165 221 A CA 0.499 52.599 52.037 0.106 0.000 0.806 221 A CB -0.387 18.663 19.000 0.082 0.000 0.847 221 A HN 0.358 nan 8.150 nan 0.000 0.482 222 G N -0.078 108.785 108.800 0.104 0.000 2.588 222 G HA2 0.472 4.431 3.960 -0.001 0.000 0.281 222 G HA3 0.472 4.431 3.960 -0.001 0.000 0.281 222 G C -2.698 172.234 174.900 0.055 0.000 1.236 222 G CA -1.400 43.745 45.100 0.075 0.000 0.969 222 G HN 0.101 nan 8.290 nan 0.000 0.504 223 P HA 0.146 nan 4.420 nan 0.000 0.258 223 P C -0.299 177.009 177.300 0.013 0.000 1.187 223 P CA 0.309 63.417 63.100 0.015 0.000 0.767 223 P CB 0.357 32.060 31.700 0.006 0.000 0.770 224 R N 4.667 125.171 120.500 0.007 0.000 2.681 224 R HA 0.189 4.528 4.340 -0.001 0.000 0.277 224 R C -1.652 174.609 176.300 -0.064 0.000 1.563 224 R CA -1.315 54.785 56.100 0.000 0.000 1.673 224 R CB 0.292 30.627 30.300 0.058 0.000 1.258 224 R HN 0.389 nan 8.270 nan 0.000 0.650 225 P HA -0.169 nan 4.420 nan 0.000 0.213 225 P C 0.715 177.833 177.300 -0.304 0.000 1.176 225 P CA 1.072 64.086 63.100 -0.144 0.000 0.919 225 P CB 0.064 31.709 31.700 -0.093 0.000 0.791 226 G N 0.405 108.811 108.800 -0.657 0.000 2.265 226 G HA2 0.041 4.001 3.960 -0.001 0.000 0.240 226 G HA3 0.041 4.001 3.960 -0.001 0.000 0.240 226 G C -0.292 174.031 174.900 -0.961 0.000 1.270 226 G CA -0.210 43.924 45.100 -1.610 0.000 0.901 226 G HN 0.205 nan 8.290 nan 0.000 0.507 227 R N 1.791 122.035 120.500 -0.428 0.000 2.393 227 R HA 0.414 4.754 4.340 -0.001 0.000 0.315 227 R C 0.270 176.800 176.300 0.384 0.000 0.952 227 R CA -0.516 55.674 56.100 0.150 0.000 0.842 227 R CB 1.195 31.562 30.300 0.113 0.000 1.163 227 R HN 0.567 nan 8.270 nan 0.000 0.450 228 S N 1.506 117.517 115.700 0.518 0.000 2.562 228 S HA -0.024 4.445 4.470 -0.001 0.000 0.281 228 S C 1.233 176.011 174.600 0.297 0.000 1.333 228 S CA 0.019 58.438 58.200 0.365 0.000 1.052 228 S CB 0.869 64.164 63.200 0.158 0.000 0.884 228 S HN 0.744 nan 8.310 nan 0.000 0.506 229 S N 3.717 119.543 115.700 0.210 0.000 2.527 229 S HA 0.256 4.725 4.470 -0.001 0.000 0.222 229 S C 0.789 175.475 174.600 0.142 0.000 0.985 229 S CA 0.112 58.408 58.200 0.160 0.000 0.921 229 S CB -0.436 62.831 63.200 0.112 0.000 0.772 229 S HN 0.997 nan 8.310 nan 0.000 0.529 230 A N 3.880 126.783 122.820 0.138 0.000 2.462 230 A HA 0.501 4.820 4.320 -0.001 0.000 0.243 230 A C -1.915 175.773 177.584 0.174 0.000 1.076 230 A CA -1.406 50.704 52.037 0.121 0.000 0.773 230 A CB -0.279 18.775 19.000 0.090 0.000 1.010 230 A HN 0.394 nan 8.150 nan 0.000 0.493 231 P HA 0.279 nan 4.420 nan 0.000 0.271 231 P C -0.417 177.087 177.300 0.340 0.000 1.216 231 P CA 0.092 63.355 63.100 0.272 0.000 0.776 231 P CB 0.968 32.773 31.700 0.175 0.000 0.881 232 V N 1.917 121.992 119.914 0.267 0.000 2.555 232 V HA 0.555 4.674 4.120 -0.001 0.000 0.302 232 V C -0.650 175.288 176.094 -0.259 0.000 1.038 232 V CA -1.200 61.098 62.300 -0.003 0.000 0.887 232 V CB 1.566 33.320 31.823 -0.114 0.000 0.991 232 V HN 0.381 nan 8.190 nan 0.000 0.434 233 L N 5.896 126.641 121.223 -0.797 0.000 2.265 233 L HA 0.673 5.012 4.340 -0.001 0.000 0.289 233 L C -0.694 175.849 176.870 -0.545 0.000 1.033 233 L CA -0.475 53.732 54.840 -1.054 0.000 0.814 233 L CB 1.190 42.115 42.059 -1.889 0.000 1.203 233 L HN 0.872 nan 8.230 nan 0.000 0.423 234 L N 6.954 127.971 121.223 -0.342 0.000 2.255 234 L HA 0.531 4.871 4.340 -0.001 0.000 0.289 234 L C -0.959 175.810 176.870 -0.167 0.000 1.046 234 L CA -0.018 54.693 54.840 -0.216 0.000 0.816 234 L CB 1.230 43.213 42.059 -0.126 0.000 1.197 234 L HN 0.427 nan 8.230 nan 0.000 0.427 235 V N 6.498 126.336 119.914 -0.128 0.000 2.347 235 V HA 0.556 4.675 4.120 -0.001 0.000 0.280 235 V C 0.197 176.283 176.094 -0.012 0.000 1.021 235 V CA -0.586 61.675 62.300 -0.064 0.000 0.847 235 V CB 1.087 32.887 31.823 -0.038 0.000 0.990 235 V HN 0.703 nan 8.190 nan 0.000 0.444 236 R N 3.062 123.558 120.500 -0.007 0.000 2.589 236 R HA 0.784 5.123 4.340 -0.001 0.000 0.293 236 R C -0.077 176.270 176.300 0.080 0.000 0.963 236 R CA -0.583 55.532 56.100 0.025 0.000 0.905 236 R CB 2.057 32.333 30.300 -0.040 0.000 1.144 236 R HN 0.773 nan 8.270 nan 0.000 0.459 237 A N 1.235 124.162 122.820 0.178 0.000 2.425 237 A HA 0.170 4.489 4.320 -0.001 0.000 0.242 237 A C 0.513 178.261 177.584 0.273 0.000 1.077 237 A CA -0.208 51.968 52.037 0.232 0.000 0.781 237 A CB 0.526 19.732 19.000 0.343 0.000 1.020 237 A HN 0.789 nan 8.150 nan 0.000 0.494 238 S N -0.228 115.609 115.700 0.228 0.000 2.511 238 S HA 0.077 4.546 4.470 -0.001 0.000 0.214 238 S C 0.397 175.228 174.600 0.386 0.000 0.997 238 S CA 0.489 58.837 58.200 0.246 0.000 0.908 238 S CB -0.036 63.219 63.200 0.093 0.000 0.803 238 S HN 0.852 nan 8.310 nan 0.000 0.504 239 E N 2.040 122.409 120.200 0.281 0.000 2.222 239 E HA 0.401 4.751 4.350 -0.001 0.000 0.267 239 E C -3.219 173.152 176.600 -0.383 0.000 0.884 239 E CA -2.770 53.656 56.400 0.043 0.000 0.764 239 E CB 1.520 31.202 29.700 -0.031 0.000 1.169 239 E HN -0.078 nan 8.360 nan 0.000 0.413 240 P HA -0.046 nan 4.420 nan 0.000 0.267 240 P C 0.523 177.153 177.300 -1.116 0.000 1.205 240 P CA -0.359 61.831 63.100 -1.517 0.000 0.765 240 P CB 1.129 32.022 31.700 -1.344 0.000 0.828 241 L N 3.235 123.539 121.223 -1.532 0.000 2.131 241 L HA 0.130 4.469 4.340 -0.001 0.000 0.210 241 L C 0.981 177.145 176.870 -1.178 0.000 1.092 241 L CA 2.081 56.229 54.840 -1.154 0.000 0.759 241 L CB -0.831 40.620 42.059 -1.014 0.000 0.903 241 L HN 0.631 nan 8.230 nan 0.000 0.435 242 G N -2.299 105.414 108.800 -1.811 0.000 2.788 242 G HA2 0.292 4.251 3.960 -0.001 0.000 0.293 242 G HA3 0.292 4.251 3.960 -0.001 0.000 0.293 242 G C -1.751 172.933 174.900 -0.360 0.000 1.392 242 G CA -0.447 44.074 45.100 -0.964 0.000 0.810 242 G HN -0.070 nan 8.290 nan 0.000 0.508 243 D N -0.448 119.953 120.400 0.003 0.000 2.443 243 D HA 0.282 4.921 4.640 -0.001 0.000 0.239 243 D C -0.643 175.971 176.300 0.524 0.000 1.136 243 D CA 0.274 54.384 54.000 0.183 0.000 0.879 243 D CB 0.574 41.446 40.800 0.120 0.000 1.195 243 D HN 0.362 nan 8.370 nan 0.000 0.443 244 W N 4.999 126.415 121.300 0.193 0.000 3.132 244 W HA 0.205 4.864 4.660 -0.001 0.000 0.337 244 W C -1.391 175.209 176.519 0.136 0.000 1.082 244 W CA -0.727 56.744 57.345 0.211 0.000 1.242 244 W CB 1.064 30.699 29.460 0.292 0.000 1.354 244 W HN 0.341 nan 8.180 nan 0.000 0.461 245 Q N 3.643 123.261 119.800 -0.303 0.000 2.296 245 Q HA -0.018 4.321 4.340 -0.001 0.000 0.263 245 Q C 1.102 176.916 176.000 -0.311 0.000 1.026 245 Q CA 0.482 56.138 55.803 -0.245 0.000 0.912 245 Q CB 1.422 30.009 28.738 -0.252 0.000 1.198 245 Q HN 0.532 nan 8.270 nan 0.000 0.407 246 E N 2.201 122.402 120.200 0.002 0.000 2.169 246 E HA -0.290 4.059 4.350 -0.001 0.000 0.202 246 E C 1.270 177.898 176.600 0.048 0.000 1.016 246 E CA 2.055 58.534 56.400 0.132 0.000 0.817 246 E CB 0.235 30.018 29.700 0.137 0.000 0.736 246 E HN 0.666 nan 8.360 nan 0.000 0.462 247 E N 0.028 120.199 120.200 -0.048 0.000 2.265 247 E HA -0.194 4.155 4.350 -0.001 0.000 0.196 247 E C 1.873 178.420 176.600 -0.089 0.000 0.996 247 E CA 0.787 57.155 56.400 -0.053 0.000 0.832 247 E CB -0.350 29.311 29.700 -0.066 0.000 0.756 247 E HN 0.335 nan 8.360 nan 0.000 0.491 248 R N 0.905 121.261 120.500 -0.240 0.000 2.152 248 R HA 0.010 4.350 4.340 -0.001 0.000 0.232 248 R C 1.242 177.573 176.300 0.050 0.000 1.117 248 R CA 0.982 56.913 56.100 -0.280 0.000 0.981 248 R CB -0.080 29.657 30.300 -0.939 0.000 0.870 248 R HN 0.341 nan 8.270 nan 0.000 0.451 249 G N 0.339 109.274 108.800 0.224 0.000 2.297 249 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.209 249 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.209 249 G C -1.704 173.502 174.900 0.510 0.000 1.267 249 G CA -0.416 44.869 45.100 0.308 0.000 1.127 249 G HN 0.167 nan 8.290 nan 0.000 0.498 250 D N 1.234 121.812 120.400 0.298 0.000 2.295 250 D HA 0.325 4.964 4.640 -0.001 0.000 0.248 250 D C 1.606 177.923 176.300 0.029 0.000 1.154 250 D CA -0.278 53.773 54.000 0.086 0.000 0.857 250 D CB 0.225 40.966 40.800 -0.098 0.000 1.117 250 D HN 0.581 nan 8.370 nan 0.000 0.468 251 W N 4.273 125.388 121.300 -0.308 0.000 2.905 251 W HA 0.120 4.779 4.660 -0.001 0.000 0.251 251 W C 0.217 176.628 176.519 -0.180 0.000 1.305 251 W CA -0.577 56.236 57.345 -0.887 0.000 1.465 251 W CB -0.337 28.128 29.460 -1.659 0.000 1.122 251 W HN 0.098 nan 8.180 nan 0.000 0.659 252 R N 1.553 121.601 120.500 -0.754 0.000 2.734 252 R HA 0.291 4.630 4.340 -0.001 0.000 0.266 252 R C 0.696 176.928 176.300 -0.114 0.000 1.044 252 R CA 0.131 55.878 56.100 -0.588 0.000 1.128 252 R CB 0.376 30.200 30.300 -0.794 0.000 1.010 252 R HN -0.050 nan 8.270 nan 0.000 0.461 253 A N 1.980 124.665 122.820 -0.225 0.000 2.448 253 A HA 0.049 4.369 4.320 -0.001 0.000 0.239 253 A C -0.179 177.287 177.584 -0.197 0.000 1.080 253 A CA 0.276 51.974 52.037 -0.565 0.000 0.779 253 A CB 0.247 19.016 19.000 -0.384 0.000 1.026 253 A HN 0.824 nan 8.150 nan 0.000 0.499 254 H N 0.338 119.265 119.070 -0.239 0.000 3.012 254 H HA 0.477 5.032 4.556 -0.001 0.000 0.367 254 H C -2.068 173.301 175.328 0.070 0.000 1.211 254 H CA -0.562 55.409 56.048 -0.128 0.000 1.139 254 H CB 1.466 31.055 29.762 -0.288 0.000 1.838 254 H HN 0.821 nan 8.280 nan 0.000 0.550 255 W N 3.978 124.693 121.300 -0.976 0.000 3.274 255 W HA 0.155 4.814 4.660 -0.001 0.000 0.327 255 W C -1.397 174.605 176.519 -0.863 0.000 1.172 255 W CA -0.537 56.384 57.345 -0.708 0.000 1.217 255 W CB 2.124 31.371 29.460 -0.355 0.000 1.376 255 W HN 0.691 nan 8.180 nan 0.000 0.507 256 D N 4.051 123.821 120.400 -1.049 0.000 2.371 256 D HA 0.248 4.887 4.640 -0.001 0.000 0.256 256 D C 0.766 176.917 176.300 -0.248 0.000 1.193 256 D CA 0.568 54.248 54.000 -0.532 0.000 0.881 256 D CB 0.556 41.086 40.800 -0.450 0.000 1.143 256 D HN 0.432 nan 8.370 nan 0.000 0.473 257 L N 2.935 124.092 121.223 -0.110 0.000 3.677 257 L HA -0.185 4.154 4.340 -0.001 0.000 0.464 257 L C -1.789 175.129 176.870 0.080 0.000 1.278 257 L CA -0.411 54.424 54.840 -0.008 0.000 0.806 257 L CB -1.591 40.469 42.059 0.001 0.000 1.610 257 L HN 0.513 nan 8.230 nan 0.000 0.867 258 P HA 0.001 nan 4.420 nan 0.000 0.275 258 P C 0.806 178.183 177.300 0.127 0.000 1.228 258 P CA -0.083 63.095 63.100 0.129 0.000 0.786 258 P CB 0.766 32.498 31.700 0.053 0.000 0.927 259 H N 1.940 121.070 119.070 0.101 0.000 2.357 259 H HA -0.001 4.555 4.556 -0.001 0.000 0.301 259 H C -0.321 175.093 175.328 0.143 0.000 1.082 259 H CA 1.355 57.503 56.048 0.167 0.000 1.342 259 H CB 0.332 30.290 29.762 0.326 0.000 1.389 259 H HN 0.343 nan 8.280 nan 0.000 0.511 260 T N 0.990 115.698 114.554 0.257 0.000 2.923 260 T HA 0.457 4.807 4.350 -0.001 0.000 0.311 260 T C -1.208 173.458 174.700 -0.056 0.000 1.183 260 T CA -0.626 61.550 62.100 0.126 0.000 1.020 260 T CB 2.815 71.853 68.868 0.284 0.000 1.165 260 T HN -0.039 nan 8.240 nan 0.000 0.482 261 V N 1.672 121.561 119.914 -0.042 0.000 2.540 261 V HA 0.883 5.003 4.120 -0.001 0.000 0.302 261 V C -0.348 175.712 176.094 -0.057 0.000 1.035 261 V CA -0.772 61.485 62.300 -0.071 0.000 0.873 261 V CB 1.555 33.346 31.823 -0.053 0.000 0.992 261 V HN 1.133 nan 8.190 nan 0.000 0.428 262 A N 3.233 126.009 122.820 -0.072 0.000 2.374 262 A HA 0.775 5.094 4.320 -0.001 0.000 0.305 262 A C -1.079 176.486 177.584 -0.033 0.000 1.053 262 A CA -0.669 51.343 52.037 -0.042 0.000 0.726 262 A CB 1.034 20.008 19.000 -0.042 0.000 1.229 262 A HN 0.730 nan 8.150 nan 0.000 0.431 263 D N 1.571 121.960 120.400 -0.019 0.000 2.168 263 D HA 0.514 5.154 4.640 -0.001 0.000 0.246 263 D C -0.045 176.252 176.300 -0.005 0.000 1.050 263 D CA 0.090 54.083 54.000 -0.011 0.000 0.857 263 D CB 2.129 42.921 40.800 -0.012 0.000 1.169 263 D HN 0.605 nan 8.370 nan 0.000 0.453 264 V N -0.988 118.925 119.914 -0.001 0.000 3.040 264 V HA 0.699 4.818 4.120 -0.001 0.000 0.312 264 V C -2.802 173.253 176.094 -0.065 0.000 1.115 264 V CA -2.302 59.985 62.300 -0.022 0.000 0.998 264 V CB 2.284 34.107 31.823 -0.001 0.000 1.042 264 V HN 0.297 nan 8.190 nan 0.000 0.433 265 P HA 0.521 nan 4.420 nan 0.000 0.272 265 P C 0.319 177.364 177.300 -0.424 0.000 1.240 265 P CA 1.360 64.234 63.100 -0.377 0.000 0.791 265 P CB 0.925 32.240 31.700 -0.641 0.000 0.978 266 G N 1.204 109.829 108.800 -0.290 0.000 2.661 266 G HA2 0.008 3.967 3.960 -0.001 0.000 0.685 266 G HA3 0.008 3.967 3.960 -0.001 0.000 0.685 266 G C -1.021 173.915 174.900 0.060 0.000 1.298 266 G CA -0.128 44.964 45.100 -0.014 0.000 0.855 266 G HN 0.808 nan 8.290 nan 0.000 0.560 267 D N -2.169 118.283 120.400 0.086 0.000 2.564 267 D HA 0.542 5.181 4.640 -0.001 0.000 0.273 267 D C 1.310 177.699 176.300 0.149 0.000 1.192 267 D CA 0.059 54.101 54.000 0.069 0.000 1.080 267 D CB 0.107 40.872 40.800 -0.058 0.000 1.160 267 D HN 0.648 nan 8.370 nan 0.000 0.607 268 H N -1.104 117.972 119.070 0.010 0.000 2.362 268 H HA -0.177 4.378 4.556 -0.001 0.000 0.294 268 H C 1.273 176.623 175.328 0.036 0.000 1.113 268 H CA 2.042 58.091 56.048 0.001 0.000 1.253 268 H CB -0.199 29.414 29.762 -0.248 0.000 1.363 268 H HN 0.427 nan 8.280 nan 0.000 0.494 269 F N -1.218 118.814 119.950 0.137 0.000 2.243 269 F HA -0.034 4.493 4.527 -0.001 0.000 0.287 269 F C 2.845 178.657 175.800 0.020 0.000 1.067 269 F CA 0.841 58.877 58.000 0.060 0.000 1.304 269 F CB -0.416 38.621 39.000 0.062 0.000 1.087 269 F HN 0.242 nan 8.300 nan 0.000 0.513 270 T N -0.579 114.122 114.554 0.244 0.000 2.962 270 T HA -0.228 4.122 4.350 -0.001 0.000 0.270 270 T C 1.826 176.639 174.700 0.188 0.000 1.088 270 T CA 1.197 63.399 62.100 0.170 0.000 1.127 270 T CB -0.738 68.232 68.868 0.169 0.000 0.883 270 T HN 0.433 nan 8.240 nan 0.000 0.493 271 M N -0.389 119.306 119.600 0.157 0.000 2.149 271 M HA -0.010 4.469 4.480 -0.001 0.000 0.261 271 M C 2.139 178.473 176.300 0.057 0.000 1.064 271 M CA 1.748 57.127 55.300 0.132 0.000 1.102 271 M CB -0.703 31.947 32.600 0.084 0.000 1.369 271 M HN 0.106 nan 8.290 nan 0.000 0.408 272 M N -0.453 119.114 119.600 -0.056 0.000 2.447 272 M HA 0.108 4.588 4.480 -0.001 0.000 0.266 272 M C 2.335 178.594 176.300 -0.068 0.000 1.120 272 M CA 0.901 56.123 55.300 -0.131 0.000 1.166 272 M CB -0.753 31.631 32.600 -0.361 0.000 1.349 272 M HN 0.421 nan 8.290 nan 0.000 0.463 273 R N 0.811 121.293 120.500 -0.030 0.000 2.062 273 R HA -0.108 4.231 4.340 -0.001 0.000 0.229 273 R C 0.601 176.852 176.300 -0.082 0.000 1.128 273 R CA 1.426 57.503 56.100 -0.038 0.000 0.960 273 R CB 0.123 30.419 30.300 -0.007 0.000 0.855 273 R HN 0.322 nan 8.270 nan 0.000 0.432 274 D N -1.626 118.701 120.400 -0.122 0.000 2.449 274 D HA 0.065 4.704 4.640 -0.001 0.000 0.210 274 D C 0.310 176.272 176.300 -0.564 0.000 1.094 274 D CA 0.256 54.059 54.000 -0.328 0.000 0.846 274 D CB 0.443 41.000 40.800 -0.405 0.000 1.003 274 D HN 0.350 nan 8.370 nan 0.000 0.504 275 H N -0.056 118.999 119.070 -0.026 0.000 2.549 275 H HA 0.415 4.970 4.556 -0.001 0.000 0.253 275 H C 1.339 176.642 175.328 -0.042 0.000 1.170 275 H CA -0.163 55.868 56.048 -0.027 0.000 0.943 275 H CB 0.830 30.586 29.762 -0.011 0.000 1.849 275 H HN -0.005 nan 8.280 nan 0.000 0.603 276 A N 2.071 124.887 122.820 -0.006 0.000 1.940 276 A HA -0.081 4.238 4.320 -0.001 0.000 0.219 276 A C -0.323 177.224 177.584 -0.060 0.000 1.176 276 A CA 1.096 53.113 52.037 -0.033 0.000 0.631 276 A CB -0.996 17.965 19.000 -0.063 0.000 0.814 276 A HN 0.249 nan 8.150 nan 0.000 0.446 277 P HA -0.143 nan 4.420 nan 0.000 0.216 277 P C 1.733 178.997 177.300 -0.060 0.000 1.150 277 P CA 1.886 64.930 63.100 -0.093 0.000 0.837 277 P CB -0.079 31.582 31.700 -0.066 0.000 0.786 278 A N -0.802 122.019 122.820 0.003 0.000 1.930 278 A HA -0.144 4.175 4.320 -0.001 0.000 0.217 278 A C 2.302 179.891 177.584 0.009 0.000 1.175 278 A CA 1.660 53.707 52.037 0.017 0.000 0.627 278 A CB -1.646 17.382 19.000 0.047 0.000 0.815 278 A HN 0.018 nan 8.150 nan 0.000 0.443 279 V N -0.120 119.801 119.914 0.012 0.000 2.261 279 V HA -0.241 3.878 4.120 -0.001 0.000 0.246 279 V C 3.080 179.198 176.094 0.041 0.000 1.047 279 V CA 1.942 64.261 62.300 0.032 0.000 1.015 279 V CB -1.288 30.561 31.823 0.044 0.000 0.642 279 V HN 0.608 nan 8.190 nan 0.000 0.446 280 A N -0.275 122.506 122.820 -0.065 0.000 1.908 280 A HA -0.314 4.005 4.320 -0.001 0.000 0.218 280 A C 2.286 179.821 177.584 -0.081 0.000 1.181 280 A CA 2.210 54.104 52.037 -0.239 0.000 0.627 280 A CB -0.597 17.955 19.000 -0.747 0.000 0.818 280 A HN 0.668 nan 8.150 nan 0.000 0.445 281 E N -0.132 120.030 120.200 -0.064 0.000 2.085 281 E HA -0.151 4.198 4.350 -0.001 0.000 0.194 281 E C 2.087 178.725 176.600 0.065 0.000 0.994 281 E CA 1.205 57.603 56.400 -0.003 0.000 0.801 281 E CB -0.292 29.403 29.700 -0.009 0.000 0.743 281 E HN 0.538 nan 8.360 nan 0.000 0.453 282 A N 0.445 123.306 122.820 0.069 0.000 1.930 282 A HA -0.110 4.209 4.320 -0.001 0.000 0.217 282 A C 2.387 180.072 177.584 0.167 0.000 1.175 282 A CA 1.375 53.467 52.037 0.091 0.000 0.627 282 A CB -0.539 18.487 19.000 0.044 0.000 0.815 282 A HN 0.231 nan 8.150 nan 0.000 0.443 283 V N 0.218 120.257 119.914 0.208 0.000 2.307 283 V HA -0.248 3.872 4.120 -0.001 0.000 0.245 283 V C 2.572 178.883 176.094 0.363 0.000 1.045 283 V CA 1.919 64.414 62.300 0.325 0.000 1.024 283 V CB -0.818 31.255 31.823 0.418 0.000 0.651 283 V HN 0.569 nan 8.190 nan 0.000 0.449 284 L N 0.913 122.324 121.223 0.312 0.000 2.012 284 L HA -0.186 4.153 4.340 -0.001 0.000 0.210 284 L C 2.769 179.742 176.870 0.172 0.000 1.073 284 L CA 2.027 57.010 54.840 0.238 0.000 0.748 284 L CB -0.884 41.285 42.059 0.183 0.000 0.891 284 L HN 0.573 nan 8.230 nan 0.000 0.431 285 S N -1.121 114.679 115.700 0.167 0.000 2.399 285 S HA -0.249 4.220 4.470 -0.001 0.000 0.231 285 S C 1.674 176.385 174.600 0.186 0.000 1.022 285 S CA 0.834 59.119 58.200 0.142 0.000 0.983 285 S CB -0.849 62.427 63.200 0.126 0.000 0.803 285 S HN 0.592 nan 8.310 nan 0.000 0.480 286 W N 2.204 123.528 121.300 0.039 0.000 2.409 286 W HA 0.207 4.866 4.660 -0.001 0.000 0.299 286 W C 1.812 178.326 176.519 -0.009 0.000 1.203 286 W CA 0.672 58.030 57.345 0.022 0.000 1.298 286 W CB -0.428 29.043 29.460 0.019 0.000 1.127 286 W HN 0.233 nan 8.180 nan 0.000 0.528 287 L N 0.415 121.635 121.223 -0.005 0.000 2.083 287 L HA -0.235 4.105 4.340 -0.001 0.000 0.209 287 L C 2.180 178.928 176.870 -0.204 0.000 1.083 287 L CA 1.675 56.384 54.840 -0.218 0.000 0.752 287 L CB -0.894 41.144 42.059 -0.035 0.000 0.899 287 L HN -0.106 nan 8.230 nan 0.000 0.433 288 D N 0.400 120.751 120.400 -0.082 0.000 2.117 288 D HA -0.059 4.580 4.640 -0.001 0.000 0.197 288 D C 1.262 177.501 176.300 -0.102 0.000 0.987 288 D CA 1.110 55.071 54.000 -0.065 0.000 0.829 288 D CB -0.163 40.632 40.800 -0.008 0.000 0.961 288 D HN 0.315 nan 8.370 nan 0.000 0.460 289 A N 0.000 122.752 122.820 -0.113 0.000 2.254 289 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 289 A CA 0.000 51.974 52.037 -0.105 0.000 0.836 289 A CB 0.000 18.989 19.000 -0.019 0.000 0.831 289 A HN 0.000 nan 8.150 nan 0.000 0.486