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 3o4j_1_C DATA FIRST_RESID 4 DATA SEQUENCE IMPVEFSRIV RDVERLIAVE KYSLQGVVDG DKLLVVGFSE GSVNAYLYDG DATA SEQUENCE GETVKLNREP INSVLDPHYG VGRVILVRDV SKGAEQHALF KVNTSRPGEE DATA SEQUENCE QRLEAVKPMR ILSGVDTGEA VVFTGATEDR VALYALDGGG LRELARLPGF DATA SEQUENCE GFVSDIRGDL IAGLGFFGGG RVSLFTSNLS SGGLRVFDSG EGSFSSASIS DATA SEQUENCE PGMKVTAGLE TAREARLVTV DPRDGSVEDL ELPSKDFSSY RPTAITWLGY DATA SEQUENCE LPDGRLAVVA RREGRSAVFI DGERVEAPQG NHGRVVLWRG KLVTSHTSLS DATA SEQUENCE TPPRIVSLPS GEPLLEGGLP EDLRRSIAGS RLVWVESFDG SRVPTYVLES DATA SEQUENCE GRAPTPGPTV VLVHGGPFAE DSDSWDTFAA SLAAAGFHVV MPNYRGSTGY DATA SEQUENCE GEEWRLKIIG DPCGGELEDV SAAARWARES GLASELYIMG YSYGGYMTLC DATA SEQUENCE ALTMKPGLFK AGVAGASVVD WEEMYELSDA AFRNFIEQLT GGSREIMRSR DATA SEQUENCE SPINHVDRIK EPLALIHPQN NSRTPLKPLL RLMGELLARG KTFEAHIIPD DATA SEQUENCE AGHAINTMED AVKILLPAVF FLATQRERR 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 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.094 176.117 -0.039 0.000 1.063 4 I CA 0.000 61.280 61.300 -0.034 0.000 1.566 4 I CB 0.000 37.985 38.000 -0.024 0.000 1.214 5 M N 7.213 126.782 119.600 -0.052 0.000 2.520 5 M HA 0.929 5.409 4.480 0.001 0.000 0.283 5 M C -2.857 173.401 176.300 -0.071 0.000 1.237 5 M CA -1.946 53.318 55.300 -0.059 0.000 0.885 5 M CB 3.071 35.627 32.600 -0.073 0.000 1.727 5 M HN 0.577 nan 8.290 nan 0.000 0.468 6 P HA 0.269 nan 4.420 nan 0.000 0.279 6 P C -0.905 176.301 177.300 -0.158 0.000 1.239 6 P CA -0.413 62.644 63.100 -0.072 0.000 0.789 6 P CB 0.521 32.206 31.700 -0.025 0.000 0.933 7 V N 3.172 122.920 119.914 -0.277 0.000 2.788 7 V HA -0.078 4.042 4.120 0.001 0.000 0.307 7 V C 1.230 176.963 176.094 -0.603 0.000 1.069 7 V CA 0.592 62.551 62.300 -0.568 0.000 1.173 7 V CB -0.423 30.788 31.823 -1.020 0.000 0.925 7 V HN 0.521 nan 8.190 nan 0.000 0.492 8 E N 4.231 124.158 120.200 -0.455 0.000 2.069 8 E HA 0.172 4.522 4.350 0.001 0.000 0.254 8 E C 0.130 176.603 176.600 -0.212 0.000 1.088 8 E CA -0.066 56.191 56.400 -0.239 0.000 1.017 8 E CB 0.208 29.832 29.700 -0.127 0.000 1.226 8 E HN 0.645 nan 8.360 nan 0.000 0.458 9 F N 0.653 120.526 119.950 -0.128 0.000 2.102 9 F HA -0.211 4.317 4.527 0.001 0.000 0.298 9 F C 2.469 178.304 175.800 0.058 0.000 1.105 9 F CA 1.086 58.977 58.000 -0.182 0.000 1.239 9 F CB -0.237 38.541 39.000 -0.371 0.000 0.991 9 F HN 0.230 nan 8.300 nan 0.000 0.474 10 S N -0.374 115.456 115.700 0.217 0.000 2.368 10 S HA -0.203 4.268 4.470 0.001 0.000 0.225 10 S C 2.024 176.704 174.600 0.133 0.000 1.030 10 S CA 1.253 59.553 58.200 0.167 0.000 0.999 10 S CB -0.351 62.914 63.200 0.108 0.000 0.844 10 S HN 0.240 nan 8.310 nan 0.000 0.459 11 R N 0.955 121.509 120.500 0.091 0.000 2.075 11 R HA 0.055 4.395 4.340 0.001 0.000 0.232 11 R C 2.109 178.461 176.300 0.087 0.000 1.126 11 R CA 1.158 57.297 56.100 0.065 0.000 0.963 11 R CB -0.401 29.915 30.300 0.027 0.000 0.858 11 R HN 0.370 nan 8.270 nan 0.000 0.435 12 I N -0.480 120.163 120.570 0.122 0.000 2.127 12 I HA -0.292 3.878 4.170 0.001 0.000 0.241 12 I C 2.315 178.529 176.117 0.162 0.000 1.075 12 I CA 1.367 62.764 61.300 0.162 0.000 1.334 12 I CB -0.399 37.765 38.000 0.275 0.000 1.040 12 I HN 0.128 nan 8.210 nan 0.000 0.405 13 V N 1.010 121.061 119.914 0.228 0.000 2.490 13 V HA -0.282 3.839 4.120 0.001 0.000 0.250 13 V C 2.656 178.795 176.094 0.076 0.000 1.061 13 V CA 2.006 64.386 62.300 0.133 0.000 1.064 13 V CB -0.531 31.403 31.823 0.186 0.000 0.670 13 V HN 0.381 nan 8.190 nan 0.000 0.461 14 R N -0.469 120.082 120.500 0.085 0.000 2.075 14 R HA -0.134 4.206 4.340 0.001 0.000 0.232 14 R C 2.004 178.332 176.300 0.045 0.000 1.126 14 R CA 2.031 58.165 56.100 0.057 0.000 0.963 14 R CB -0.305 30.028 30.300 0.055 0.000 0.858 14 R HN 0.566 nan 8.270 nan 0.000 0.435 15 D N -0.159 120.271 120.400 0.052 0.000 2.097 15 D HA -0.136 4.504 4.640 0.001 0.000 0.195 15 D C 1.933 178.257 176.300 0.040 0.000 0.989 15 D CA 1.173 55.202 54.000 0.047 0.000 0.827 15 D CB -0.312 40.519 40.800 0.052 0.000 0.966 15 D HN 0.052 nan 8.370 nan 0.000 0.456 16 V N 0.962 120.894 119.914 0.030 0.000 2.332 16 V HA -0.239 3.881 4.120 0.001 0.000 0.248 16 V C 2.408 178.505 176.094 0.004 0.000 1.055 16 V CA 1.711 64.017 62.300 0.009 0.000 1.038 16 V CB -0.379 31.425 31.823 -0.032 0.000 0.651 16 V HN 0.207 nan 8.190 nan 0.000 0.450 17 E N -0.354 119.848 120.200 0.004 0.000 2.051 17 E HA -0.223 4.128 4.350 0.001 0.000 0.192 17 E C 2.524 179.119 176.600 -0.009 0.000 0.991 17 E CA 1.249 57.648 56.400 -0.001 0.000 0.799 17 E CB -0.056 29.651 29.700 0.011 0.000 0.748 17 E HN 0.493 nan 8.360 nan 0.000 0.449 18 R N 0.021 120.523 120.500 0.003 0.000 2.092 18 R HA -0.078 4.262 4.340 0.001 0.000 0.231 18 R C 2.476 178.769 176.300 -0.011 0.000 1.119 18 R CA 0.812 56.908 56.100 -0.007 0.000 0.970 18 R CB -0.155 30.150 30.300 0.008 0.000 0.864 18 R HN 0.208 nan 8.270 nan 0.000 0.440 19 L N 0.099 121.341 121.223 0.032 0.000 2.093 19 L HA -0.162 4.179 4.340 0.001 0.000 0.208 19 L C 2.175 179.061 176.870 0.027 0.000 1.085 19 L CA 1.158 56.056 54.840 0.097 0.000 0.755 19 L CB -0.249 41.897 42.059 0.145 0.000 0.904 19 L HN 0.165 nan 8.230 nan 0.000 0.435 20 I N -0.346 120.198 120.570 -0.043 0.000 2.353 20 I HA -0.191 3.979 4.170 0.001 0.000 0.248 20 I C 2.612 178.513 176.117 -0.361 0.000 1.119 20 I CA 1.056 62.263 61.300 -0.155 0.000 1.417 20 I CB -0.275 37.676 38.000 -0.081 0.000 1.078 20 I HN 0.141 nan 8.210 nan 0.000 0.421 21 A N 0.453 123.134 122.820 -0.233 0.000 2.067 21 A HA 0.057 4.377 4.320 0.001 0.000 0.217 21 A C 1.193 178.599 177.584 -0.297 0.000 1.156 21 A CA 0.193 52.082 52.037 -0.246 0.000 0.683 21 A CB -0.880 18.068 19.000 -0.086 0.000 0.808 21 A HN 0.195 nan 8.150 nan 0.000 0.455 22 V N 0.227 119.978 119.914 -0.272 0.000 2.752 22 V HA 0.053 4.173 4.120 0.001 0.000 0.306 22 V C 0.058 175.932 176.094 -0.367 0.000 1.099 22 V CA -0.493 61.640 62.300 -0.279 0.000 1.240 22 V CB -0.555 31.071 31.823 -0.329 0.000 0.887 22 V HN 0.470 nan 8.190 nan 0.000 0.499 23 E N 3.197 123.221 120.200 -0.294 0.000 2.414 23 E HA 0.299 4.649 4.350 0.001 0.000 0.263 23 E C -0.236 176.043 176.600 -0.535 0.000 1.000 23 E CA 0.423 56.593 56.400 -0.383 0.000 0.914 23 E CB 0.430 29.967 29.700 -0.271 0.000 0.948 23 E HN 0.716 nan 8.360 nan 0.000 0.444 24 K N 2.318 122.331 120.400 -0.645 0.000 2.427 24 K HA 0.450 4.770 4.320 0.001 0.000 0.252 24 K C -1.339 174.862 176.600 -0.666 0.000 0.931 24 K CA -0.659 55.310 56.287 -0.530 0.000 0.793 24 K CB 1.474 33.797 32.500 -0.295 0.000 1.211 24 K HN 0.386 nan 8.250 nan 0.000 0.426 25 Y N -0.006 120.239 120.300 -0.092 0.000 2.499 25 Y HA 0.448 4.998 4.550 -0.000 0.000 0.347 25 Y C 0.035 175.890 175.900 -0.074 0.000 0.987 25 Y CA -0.825 57.230 58.100 -0.075 0.000 1.044 25 Y CB 2.509 40.896 38.460 -0.123 0.000 1.245 25 Y HN 0.628 nan 8.280 nan 0.000 0.461 26 S N 1.914 117.679 115.700 0.108 0.000 2.548 26 S HA 0.673 5.143 4.470 0.001 0.000 0.286 26 S C -1.796 172.805 174.600 0.002 0.000 1.098 26 S CA -0.836 57.379 58.200 0.026 0.000 0.930 26 S CB 1.873 65.073 63.200 -0.001 0.000 1.070 26 S HN 0.564 nan 8.310 nan 0.000 0.480 27 L N 2.266 123.454 121.223 -0.059 0.000 2.292 27 L HA 0.546 4.887 4.340 0.001 0.000 0.284 27 L C 0.636 177.455 176.870 -0.085 0.000 1.065 27 L CA 0.287 55.070 54.840 -0.094 0.000 0.806 27 L CB 0.921 42.892 42.059 -0.146 0.000 1.175 27 L HN 0.853 nan 8.230 nan 0.000 0.431 28 Q N 3.714 123.484 119.800 -0.050 0.000 2.322 28 Q HA 0.491 4.831 4.340 0.001 0.000 0.250 28 Q C 0.473 176.477 176.000 0.007 0.000 0.853 28 Q CA 0.624 56.417 55.803 -0.018 0.000 0.951 28 Q CB 1.432 30.180 28.738 0.016 0.000 1.114 28 Q HN 0.891 nan 8.270 nan 0.000 0.523 29 G N -0.367 108.436 108.800 0.004 0.000 2.327 29 G HA2 0.325 4.285 3.960 0.001 0.000 0.291 29 G HA3 0.325 4.285 3.960 0.001 0.000 0.291 29 G C -1.820 173.114 174.900 0.057 0.000 1.290 29 G CA -0.581 44.554 45.100 0.058 0.000 0.857 29 G HN -0.108 nan 8.290 nan 0.000 0.520 30 V N 0.475 120.459 119.914 0.116 0.000 2.540 30 V HA 0.790 4.910 4.120 0.001 0.000 0.302 30 V C 0.359 176.455 176.094 0.004 0.000 1.035 30 V CA -0.337 62.021 62.300 0.096 0.000 0.873 30 V CB 0.999 32.965 31.823 0.238 0.000 0.992 30 V HN 1.589 nan 8.190 nan 0.000 0.428 31 V N 0.743 120.646 119.914 -0.018 0.000 3.141 31 V HA 0.811 4.932 4.120 0.001 0.000 0.312 31 V C 0.002 176.066 176.094 -0.051 0.000 1.157 31 V CA -0.325 61.953 62.300 -0.036 0.000 1.041 31 V CB 1.696 33.524 31.823 0.009 0.000 1.071 31 V HN 0.962 nan 8.190 nan 0.000 0.441 32 D N 1.654 122.025 120.400 -0.048 0.000 3.393 32 D HA -0.205 4.435 4.640 0.001 0.000 0.178 32 D C 0.741 177.008 176.300 -0.054 0.000 1.201 32 D CA 1.993 55.974 54.000 -0.031 0.000 1.086 32 D CB -1.185 39.613 40.800 -0.003 0.000 0.568 32 D HN 1.788 nan 8.370 nan 0.000 0.637 33 G N 0.599 109.388 108.800 -0.019 0.000 3.343 33 G HA2 0.368 4.329 3.960 0.001 0.000 0.264 33 G HA3 0.368 4.329 3.960 0.001 0.000 0.264 33 G C -0.041 174.872 174.900 0.022 0.000 0.884 33 G CA 0.898 45.991 45.100 -0.013 0.000 1.916 33 G HN 0.695 nan 8.290 nan 0.000 0.618 34 D N -0.297 120.107 120.400 0.007 0.000 2.739 34 D HA -0.144 4.496 4.640 0.001 0.000 0.240 34 D C 0.292 176.804 176.300 0.353 0.000 1.114 34 D CA 1.031 55.108 54.000 0.128 0.000 0.695 34 D CB -0.873 39.969 40.800 0.070 0.000 1.078 34 D HN 0.504 nan 8.370 nan 0.000 0.434 35 K N 0.381 120.913 120.400 0.221 0.000 2.221 35 K HA 0.525 4.845 4.320 0.001 0.000 0.258 35 K C 0.271 176.905 176.600 0.057 0.000 0.944 35 K CA -0.933 55.471 56.287 0.195 0.000 0.823 35 K CB 1.415 33.973 32.500 0.096 0.000 1.113 35 K HN 0.085 nan 8.250 nan 0.000 0.431 36 L N 3.434 124.581 121.223 -0.126 0.000 2.380 36 L HA 0.186 4.527 4.340 0.001 0.000 0.273 36 L C -0.204 176.631 176.870 -0.058 0.000 1.138 36 L CA -0.680 54.038 54.840 -0.204 0.000 0.832 36 L CB 0.192 41.987 42.059 -0.440 0.000 1.124 36 L HN 0.340 nan 8.230 nan 0.000 0.454 37 L N 5.827 127.032 121.223 -0.031 0.000 2.264 37 L HA 0.532 4.873 4.340 0.001 0.000 0.289 37 L C -0.296 176.578 176.870 0.007 0.000 1.044 37 L CA -0.185 54.663 54.840 0.013 0.000 0.807 37 L CB 1.374 43.448 42.059 0.025 0.000 1.192 37 L HN 0.370 nan 8.230 nan 0.000 0.425 38 V N 3.641 123.590 119.914 0.058 0.000 2.789 38 V HA 0.704 4.824 4.120 0.001 0.000 0.311 38 V C -0.679 175.518 176.094 0.171 0.000 1.073 38 V CA -0.776 61.574 62.300 0.083 0.000 0.921 38 V CB 1.771 33.629 31.823 0.058 0.000 1.009 38 V HN 0.414 nan 8.190 nan 0.000 0.426 39 V N 3.570 123.568 119.914 0.141 0.000 2.439 39 V HA 0.875 4.995 4.120 0.001 0.000 0.282 39 V C 0.865 177.080 176.094 0.201 0.000 1.039 39 V CA 0.704 63.090 62.300 0.143 0.000 0.913 39 V CB 1.303 33.162 31.823 0.061 0.000 0.983 39 V HN 1.347 nan 8.190 nan 0.000 0.460 40 G N 3.136 112.091 108.800 0.258 0.000 2.638 40 G HA2 0.560 4.520 3.960 0.001 0.000 0.302 40 G HA3 0.560 4.520 3.960 0.001 0.000 0.302 40 G C -1.419 173.544 174.900 0.105 0.000 1.365 40 G CA -0.590 44.588 45.100 0.130 0.000 0.987 40 G HN 0.561 nan 8.290 nan 0.000 0.495 41 F N 2.772 122.604 119.950 -0.196 0.000 2.421 41 F HA 0.606 5.133 4.527 0.001 0.000 0.358 41 F C 0.414 176.108 175.800 -0.177 0.000 1.115 41 F CA -0.052 57.864 58.000 -0.140 0.000 1.160 41 F CB 0.904 39.813 39.000 -0.153 0.000 1.123 41 F HN 0.535 nan 8.300 nan 0.000 0.508 42 S N 4.450 120.353 115.700 0.338 0.000 2.565 42 S HA 0.231 4.701 4.470 0.001 0.000 0.274 42 S C -0.613 174.105 174.600 0.197 0.000 1.144 42 S CA -0.116 58.223 58.200 0.232 0.000 0.849 42 S CB 1.080 64.338 63.200 0.097 0.000 1.103 42 S HN 0.952 nan 8.310 nan 0.000 0.455 43 E N 1.569 121.863 120.200 0.157 0.000 2.360 43 E HA -0.209 4.141 4.350 0.001 0.000 0.238 43 E C 0.871 177.538 176.600 0.112 0.000 1.186 43 E CA 1.315 57.785 56.400 0.116 0.000 0.719 43 E CB -2.352 27.406 29.700 0.097 0.000 1.236 43 E HN 2.303 nan 8.360 nan 0.000 0.386 44 G N -0.916 108.028 108.800 0.240 0.000 2.168 44 G HA2 -0.374 3.587 3.960 0.001 0.000 0.263 44 G HA3 -0.374 3.587 3.960 0.001 0.000 0.263 44 G C 0.255 175.078 174.900 -0.128 0.000 0.977 44 G CA 0.943 46.197 45.100 0.257 0.000 0.659 44 G HN 1.628 nan 8.290 nan 0.000 0.533 45 S N -2.609 112.816 115.700 -0.457 0.000 2.672 45 S HA 0.713 5.183 4.470 0.001 0.000 0.271 45 S C -0.821 173.338 174.600 -0.736 0.000 1.171 45 S CA -0.417 57.347 58.200 -0.727 0.000 0.817 45 S CB 2.391 65.396 63.200 -0.324 0.000 1.150 45 S HN 1.010 nan 8.310 nan 0.000 0.478 46 V N 2.548 122.151 119.914 -0.518 0.000 2.383 46 V HA 0.520 4.640 4.120 0.001 0.000 0.275 46 V C -0.482 175.501 176.094 -0.185 0.000 1.036 46 V CA -0.360 61.760 62.300 -0.300 0.000 0.889 46 V CB 0.489 32.184 31.823 -0.214 0.000 0.985 46 V HN 0.778 nan 8.190 nan 0.000 0.459 47 N N 2.578 121.211 118.700 -0.112 0.000 2.469 47 N HA 0.783 5.523 4.740 0.001 0.000 0.286 47 N C -0.696 174.677 175.510 -0.228 0.000 1.275 47 N CA -0.506 52.412 53.050 -0.221 0.000 0.790 47 N CB 2.436 40.707 38.487 -0.360 0.000 1.446 47 N HN 0.643 nan 8.380 nan 0.000 0.501 48 A N 0.723 123.317 122.820 -0.375 0.000 2.318 48 A HA 0.726 5.047 4.320 0.001 0.000 0.324 48 A C -1.624 175.731 177.584 -0.381 0.000 1.170 48 A CA -0.377 51.529 52.037 -0.219 0.000 0.810 48 A CB 0.327 19.256 19.000 -0.119 0.000 1.198 48 A HN 0.588 nan 8.150 nan 0.000 0.484 49 Y N 0.866 121.185 120.300 0.032 0.000 2.512 49 Y HA 0.525 5.075 4.550 0.000 0.000 0.348 49 Y C -0.158 175.758 175.900 0.026 0.000 0.990 49 Y CA -0.758 57.364 58.100 0.037 0.000 1.033 49 Y CB 1.965 40.466 38.460 0.068 0.000 1.259 49 Y HN 0.525 nan 8.280 nan 0.000 0.461 50 L N 3.308 124.635 121.223 0.174 0.000 2.265 50 L HA 0.292 4.633 4.340 0.001 0.000 0.288 50 L C -0.962 175.980 176.870 0.120 0.000 1.058 50 L CA -0.628 54.277 54.840 0.107 0.000 0.809 50 L CB 0.569 42.664 42.059 0.060 0.000 1.179 50 L HN 0.615 nan 8.230 nan 0.000 0.429 51 Y N 3.574 123.836 120.300 -0.062 0.000 2.320 51 Y HA 0.493 5.043 4.550 0.000 0.000 0.334 51 Y C -0.596 175.260 175.900 -0.075 0.000 1.055 51 Y CA -0.174 57.855 58.100 -0.119 0.000 1.143 51 Y CB 1.375 39.677 38.460 -0.263 0.000 1.193 51 Y HN 0.589 nan 8.280 nan 0.000 0.477 52 D N 2.814 122.818 120.400 -0.661 0.000 2.734 52 D HA 0.360 5.000 4.640 0.001 0.000 0.224 52 D C -0.065 175.996 176.300 -0.399 0.000 1.222 52 D CA 0.372 54.184 54.000 -0.313 0.000 0.761 52 D CB 1.139 41.931 40.800 -0.013 0.000 1.569 52 D HN 0.908 nan 8.370 nan 0.000 0.477 53 G N 1.680 110.363 108.800 -0.196 0.000 2.246 53 G HA2 0.172 4.132 3.960 0.001 0.000 0.273 53 G HA3 0.172 4.132 3.960 0.001 0.000 0.273 53 G C 1.118 175.907 174.900 -0.184 0.000 1.055 53 G CA 1.083 46.107 45.100 -0.127 0.000 0.851 53 G HN 1.754 nan 8.290 nan 0.000 0.500 54 G N -1.661 106.961 108.800 -0.296 0.000 2.179 54 G HA2 -0.169 3.791 3.960 0.001 0.000 0.257 54 G HA3 -0.169 3.791 3.960 0.001 0.000 0.257 54 G C 0.033 174.841 174.900 -0.153 0.000 1.010 54 G CA 1.303 46.323 45.100 -0.133 0.000 0.736 54 G HN 1.213 nan 8.290 nan 0.000 0.513 55 E N -0.826 119.171 120.200 -0.338 0.000 2.413 55 E HA 0.591 4.942 4.350 0.001 0.000 0.277 55 E C -0.276 176.225 176.600 -0.166 0.000 0.958 55 E CA -0.357 55.947 56.400 -0.159 0.000 0.779 55 E CB 1.794 31.433 29.700 -0.101 0.000 1.278 55 E HN 0.327 nan 8.360 nan 0.000 0.456 56 T N -1.759 112.782 114.554 -0.021 0.000 2.885 56 T HA 0.647 4.998 4.350 0.001 0.000 0.285 56 T C -0.457 174.308 174.700 0.109 0.000 1.019 56 T CA -0.731 61.406 62.100 0.061 0.000 1.010 56 T CB 1.340 70.225 68.868 0.029 0.000 1.022 56 T HN 0.127 nan 8.240 nan 0.000 0.466 57 V N 2.329 122.335 119.914 0.153 0.000 2.487 57 V HA 0.467 4.587 4.120 0.001 0.000 0.298 57 V C 0.137 176.325 176.094 0.158 0.000 1.028 57 V CA -1.044 61.331 62.300 0.126 0.000 0.860 57 V CB 1.788 33.644 31.823 0.055 0.000 0.991 57 V HN 0.996 nan 8.190 nan 0.000 0.427 58 K N 4.108 124.574 120.400 0.110 0.000 2.349 58 K HA 0.371 4.691 4.320 0.001 0.000 0.288 58 K C 0.367 176.891 176.600 -0.127 0.000 1.058 58 K CA -0.312 55.913 56.287 -0.104 0.000 0.953 58 K CB 0.820 33.260 32.500 -0.099 0.000 0.997 58 K HN 0.650 nan 8.250 nan 0.000 0.477 59 L N 3.055 124.170 121.223 -0.180 0.000 2.249 59 L HA -0.040 4.301 4.340 0.001 0.000 0.207 59 L C 1.139 177.937 176.870 -0.120 0.000 1.090 59 L CA 0.101 54.877 54.840 -0.107 0.000 0.802 59 L CB -0.304 41.707 42.059 -0.080 0.000 0.947 59 L HN 0.724 nan 8.230 nan 0.000 0.453 60 N N -0.188 118.403 118.700 -0.180 0.000 2.458 60 N HA 0.171 4.912 4.740 0.001 0.000 0.271 60 N C 0.342 175.756 175.510 -0.160 0.000 1.210 60 N CA -0.483 52.464 53.050 -0.173 0.000 0.978 60 N CB 1.606 39.972 38.487 -0.202 0.000 1.206 60 N HN -0.018 nan 8.380 nan 0.000 0.536 61 R N -0.270 120.134 120.500 -0.160 0.000 1.950 61 R HA 0.158 4.498 4.340 0.001 0.000 0.200 61 R C 0.124 176.336 176.300 -0.147 0.000 1.476 61 R CA 0.159 56.178 56.100 -0.136 0.000 1.145 61 R CB -0.283 29.942 30.300 -0.125 0.000 0.942 61 R HN 0.623 nan 8.270 nan 0.000 0.484 62 E N 1.682 121.778 120.200 -0.174 0.000 2.392 62 E HA 0.174 4.525 4.350 0.001 0.000 0.256 62 E C -2.252 174.240 176.600 -0.179 0.000 1.145 62 E CA -1.914 54.388 56.400 -0.162 0.000 0.929 62 E CB -0.117 29.485 29.700 -0.164 0.000 0.998 62 E HN 0.002 nan 8.360 nan 0.000 0.442 63 P HA 0.023 nan 4.420 nan 0.000 0.268 63 P C -0.218 176.992 177.300 -0.150 0.000 1.208 63 P CA 0.445 63.450 63.100 -0.158 0.000 0.777 63 P CB 0.371 31.982 31.700 -0.149 0.000 0.875 64 I N -1.256 119.232 120.570 -0.137 0.000 3.436 64 I HA 0.468 4.638 4.170 0.001 0.000 0.300 64 I C 0.289 176.368 176.117 -0.063 0.000 1.131 64 I CA -0.846 60.394 61.300 -0.100 0.000 1.001 64 I CB 2.031 39.968 38.000 -0.105 0.000 1.305 64 I HN 0.061 nan 8.210 nan 0.000 0.494 65 N N -0.226 118.455 118.700 -0.032 0.000 2.499 65 N HA 0.166 4.906 4.740 0.001 0.000 0.182 65 N C -0.483 175.007 175.510 -0.032 0.000 1.034 65 N CA 0.671 53.708 53.050 -0.021 0.000 0.882 65 N CB 0.501 38.987 38.487 -0.002 0.000 1.125 65 N HN 0.848 nan 8.380 nan 0.000 0.436 66 S N -1.239 114.436 115.700 -0.041 0.000 2.683 66 S HA 0.565 5.035 4.470 0.001 0.000 0.269 66 S C -1.303 173.288 174.600 -0.015 0.000 1.165 66 S CA -0.991 57.196 58.200 -0.022 0.000 0.840 66 S CB 0.920 64.110 63.200 -0.017 0.000 1.169 66 S HN 0.033 nan 8.310 nan 0.000 0.490 67 V N -1.161 118.756 119.914 0.005 0.000 3.074 67 V HA 0.740 4.860 4.120 0.001 0.000 0.314 67 V C -0.364 175.751 176.094 0.036 0.000 1.117 67 V CA -1.293 61.017 62.300 0.015 0.000 1.014 67 V CB 1.092 32.926 31.823 0.018 0.000 1.057 67 V HN 0.985 nan 8.190 nan 0.000 0.438 68 L N 1.066 122.315 121.223 0.044 0.000 2.464 68 L HA 0.369 4.710 4.340 0.001 0.000 0.264 68 L C -0.029 176.897 176.870 0.094 0.000 1.199 68 L CA -0.345 54.541 54.840 0.076 0.000 0.818 68 L CB 0.273 42.375 42.059 0.072 0.000 1.102 68 L HN 0.681 nan 8.230 nan 0.000 0.473 69 D N 2.576 123.052 120.400 0.127 0.000 2.417 69 D HA 0.158 4.798 4.640 0.001 0.000 0.250 69 D C -2.201 174.195 176.300 0.161 0.000 1.166 69 D CA -0.824 53.266 54.000 0.150 0.000 0.881 69 D CB 0.483 41.399 40.800 0.194 0.000 1.164 69 D HN 0.215 nan 8.370 nan 0.000 0.467 70 P HA 0.193 nan 4.420 nan 0.000 0.292 70 P C -0.460 177.008 177.300 0.280 0.000 1.283 70 P CA -0.456 62.745 63.100 0.168 0.000 0.835 70 P CB 1.092 32.863 31.700 0.119 0.000 1.017 71 H N 0.944 120.084 119.070 0.117 0.000 2.707 71 H HA 0.010 4.567 4.556 0.001 0.000 0.359 71 H C -0.058 175.369 175.328 0.167 0.000 1.113 71 H CA -0.390 55.748 56.048 0.149 0.000 1.422 71 H CB 0.333 30.173 29.762 0.130 0.000 1.443 71 H HN 0.420 nan 8.280 nan 0.000 0.591 72 Y N 1.603 121.981 120.300 0.130 0.000 2.954 72 Y HA -0.168 4.382 4.550 0.001 0.000 0.351 72 Y C 1.317 177.283 175.900 0.110 0.000 1.282 72 Y CA 1.555 59.715 58.100 0.099 0.000 1.614 72 Y CB -0.420 38.073 38.460 0.055 0.000 1.183 72 Y HN 0.991 nan 8.280 nan 0.000 0.566 73 G N 3.135 111.713 108.800 -0.371 0.000 2.179 73 G HA2 -0.277 3.683 3.960 0.001 0.000 0.260 73 G HA3 -0.277 3.683 3.960 0.001 0.000 0.260 73 G C 0.090 174.947 174.900 -0.070 0.000 0.977 73 G CA 0.068 44.992 45.100 -0.292 0.000 0.641 73 G HN 1.516 nan 8.290 nan 0.000 0.533 74 V N -0.737 119.183 119.914 0.011 0.000 2.901 74 V HA 0.597 4.718 4.120 0.001 0.000 0.307 74 V C 1.458 177.560 176.094 0.014 0.000 1.084 74 V CA 0.888 63.209 62.300 0.035 0.000 1.184 74 V CB 1.350 33.212 31.823 0.066 0.000 0.941 74 V HN 1.202 nan 8.190 nan 0.000 0.493 75 G N 4.625 113.434 108.800 0.016 0.000 3.327 75 G HA2 0.357 4.318 3.960 0.001 0.000 0.240 75 G HA3 0.357 4.318 3.960 0.001 0.000 0.240 75 G C 0.491 175.400 174.900 0.014 0.000 1.222 75 G CA -0.032 45.074 45.100 0.010 0.000 0.871 75 G HN 1.130 nan 8.290 nan 0.000 0.525 76 R N -2.072 118.440 120.500 0.020 0.000 2.734 76 R HA 0.679 5.020 4.340 0.001 0.000 0.271 76 R C -2.215 174.100 176.300 0.025 0.000 1.021 76 R CA -0.713 55.400 56.100 0.021 0.000 0.893 76 R CB 1.405 31.717 30.300 0.021 0.000 1.244 76 R HN -0.130 nan 8.270 nan 0.000 0.464 77 V N 2.199 122.127 119.914 0.024 0.000 2.656 77 V HA 0.454 4.574 4.120 0.001 0.000 0.307 77 V C -0.397 175.714 176.094 0.029 0.000 1.051 77 V CA -0.999 61.316 62.300 0.026 0.000 0.893 77 V CB 2.052 33.886 31.823 0.018 0.000 0.999 77 V HN 0.580 nan 8.190 nan 0.000 0.426 78 I N 5.423 126.011 120.570 0.030 0.000 2.306 78 I HA 0.370 4.541 4.170 0.001 0.000 0.288 78 I C 0.001 176.139 176.117 0.034 0.000 1.036 78 I CA -0.197 61.120 61.300 0.029 0.000 1.221 78 I CB 1.011 39.016 38.000 0.008 0.000 1.385 78 I HN 0.406 nan 8.210 nan 0.000 0.472 79 L N 6.320 127.581 121.223 0.064 0.000 2.397 79 L HA 0.410 4.750 4.340 0.001 0.000 0.271 79 L C -0.012 176.923 176.870 0.109 0.000 1.148 79 L CA -0.626 54.253 54.840 0.065 0.000 0.825 79 L CB 1.062 43.158 42.059 0.062 0.000 1.117 79 L HN 0.216 nan 8.230 nan 0.000 0.456 80 V N 3.703 123.647 119.914 0.050 0.000 2.378 80 V HA 0.480 4.600 4.120 0.001 0.000 0.288 80 V C -0.069 176.061 176.094 0.060 0.000 1.016 80 V CA -0.573 61.747 62.300 0.033 0.000 0.840 80 V CB 1.443 33.206 31.823 -0.099 0.000 0.994 80 V HN 0.718 nan 8.190 nan 0.000 0.431 81 R N 2.787 123.407 120.500 0.200 0.000 2.628 81 R HA 0.351 4.692 4.340 0.001 0.000 0.288 81 R C -1.032 175.444 176.300 0.293 0.000 0.980 81 R CA -0.699 55.507 56.100 0.176 0.000 0.891 81 R CB 1.717 32.034 30.300 0.029 0.000 1.188 81 R HN 0.733 nan 8.270 nan 0.000 0.450 82 D N 3.997 124.563 120.400 0.278 0.000 2.382 82 D HA 0.017 4.657 4.640 0.001 0.000 0.259 82 D C 0.614 176.974 176.300 0.100 0.000 1.224 82 D CA 0.121 54.234 54.000 0.188 0.000 0.894 82 D CB 1.284 42.168 40.800 0.141 0.000 1.127 82 D HN 0.390 nan 8.370 nan 0.000 0.487 83 V N 1.869 121.833 119.914 0.084 0.000 3.099 83 V HA 0.232 4.352 4.120 0.001 0.000 0.356 83 V C 0.679 176.789 176.094 0.027 0.000 1.364 83 V CA 0.222 62.565 62.300 0.072 0.000 1.229 83 V CB -0.401 31.492 31.823 0.117 0.000 1.227 83 V HN 0.465 nan 8.190 nan 0.000 0.493 84 S N -1.012 114.690 115.700 0.004 0.000 2.902 84 S HA 0.363 4.833 4.470 0.001 0.000 0.250 84 S C 0.414 175.013 174.600 -0.001 0.000 1.046 84 S CA -0.367 57.829 58.200 -0.007 0.000 1.069 84 S CB -0.258 62.922 63.200 -0.032 0.000 0.967 84 S HN 0.571 nan 8.310 nan 0.000 0.530 85 K N 0.767 121.172 120.400 0.009 0.000 3.035 85 K HA -0.215 4.105 4.320 0.001 0.000 0.262 85 K C 1.013 177.624 176.600 0.019 0.000 1.024 85 K CA 0.673 56.968 56.287 0.013 0.000 0.748 85 K CB -1.897 30.610 32.500 0.011 0.000 1.247 85 K HN 1.177 nan 8.250 nan 0.000 0.482 86 G N -1.848 106.965 108.800 0.022 0.000 2.253 86 G HA2 -0.261 3.699 3.960 0.001 0.000 0.209 86 G HA3 -0.261 3.699 3.960 0.001 0.000 0.209 86 G C 0.758 175.675 174.900 0.028 0.000 0.997 86 G CA 0.219 45.341 45.100 0.037 0.000 0.640 86 G HN 0.638 nan 8.290 nan 0.000 0.496 87 A N 0.540 123.359 122.820 -0.001 0.000 2.209 87 A HA 0.474 4.795 4.320 0.001 0.000 0.212 87 A C 1.256 178.807 177.584 -0.055 0.000 1.158 87 A CA 1.869 53.896 52.037 -0.016 0.000 0.742 87 A CB -0.489 18.500 19.000 -0.019 0.000 0.790 87 A HN 1.320 nan 8.150 nan 0.000 0.472 88 E N -0.814 119.316 120.200 -0.117 0.000 2.553 88 E HA -0.143 4.207 4.350 0.001 0.000 0.264 88 E C -0.977 175.334 176.600 -0.481 0.000 1.068 88 E CA 0.365 56.565 56.400 -0.332 0.000 0.774 88 E CB -1.417 28.251 29.700 -0.054 0.000 1.349 88 E HN 0.646 nan 8.360 nan 0.000 0.404 89 Q N 0.824 120.427 119.800 -0.328 0.000 2.421 89 Q HA 0.245 4.585 4.340 0.001 0.000 0.242 89 Q C -0.278 175.578 176.000 -0.240 0.000 1.024 89 Q CA 0.200 55.863 55.803 -0.233 0.000 0.891 89 Q CB 0.414 29.096 28.738 -0.095 0.000 1.222 89 Q HN 0.340 nan 8.270 nan 0.000 0.483 90 H N 0.116 119.213 119.070 0.044 0.000 2.505 90 H HA 0.650 5.206 4.556 0.000 0.000 0.355 90 H C -0.252 175.076 175.328 0.000 0.000 1.179 90 H CA -0.535 55.540 56.048 0.044 0.000 1.343 90 H CB 1.140 30.931 29.762 0.047 0.000 1.501 90 H HN 0.645 nan 8.280 nan 0.000 0.569 91 A N 2.099 125.017 122.820 0.162 0.000 2.374 91 A HA 0.551 4.872 4.320 0.001 0.000 0.317 91 A C -0.848 176.693 177.584 -0.072 0.000 1.094 91 A CA -0.817 51.192 52.037 -0.047 0.000 0.765 91 A CB 0.845 19.761 19.000 -0.139 0.000 1.268 91 A HN 0.589 nan 8.150 nan 0.000 0.438 92 L N 1.051 122.087 121.223 -0.312 0.000 2.334 92 L HA 0.571 4.911 4.340 0.001 0.000 0.277 92 L C -1.272 175.289 176.870 -0.515 0.000 1.075 92 L CA -0.147 54.537 54.840 -0.259 0.000 0.804 92 L CB 0.850 42.727 42.059 -0.304 0.000 1.174 92 L HN 0.636 nan 8.230 nan 0.000 0.438 93 F N 1.667 121.576 119.950 -0.068 0.000 2.539 93 F HA 0.388 4.915 4.527 0.001 0.000 0.318 93 F C 0.111 175.884 175.800 -0.045 0.000 1.135 93 F CA -0.808 57.162 58.000 -0.050 0.000 0.915 93 F CB 1.694 40.668 39.000 -0.043 0.000 1.176 93 F HN 0.307 nan 8.300 nan 0.000 0.440 94 K N 2.952 123.407 120.400 0.093 0.000 2.234 94 K HA 0.663 4.983 4.320 0.001 0.000 0.282 94 K C -1.393 175.248 176.600 0.068 0.000 1.039 94 K CA -0.284 56.038 56.287 0.058 0.000 0.928 94 K CB 1.140 33.654 32.500 0.023 0.000 1.039 94 K HN 0.549 nan 8.250 nan 0.000 0.470 95 V N 4.944 124.885 119.914 0.045 0.000 2.443 95 V HA 0.162 4.283 4.120 0.001 0.000 0.293 95 V C -0.474 175.630 176.094 0.018 0.000 1.021 95 V CA -1.190 61.126 62.300 0.027 0.000 0.848 95 V CB 1.503 33.332 31.823 0.010 0.000 0.998 95 V HN 0.802 nan 8.190 nan 0.000 0.424 96 N N 2.624 121.333 118.700 0.015 0.000 2.513 96 N HA 0.082 4.823 4.740 0.001 0.000 0.268 96 N C 1.466 176.981 175.510 0.009 0.000 1.180 96 N CA 0.442 53.500 53.050 0.012 0.000 0.948 96 N CB 1.860 40.354 38.487 0.011 0.000 1.083 96 N HN 0.871 nan 8.380 nan 0.000 0.455 97 T N -1.661 112.898 114.554 0.009 0.000 2.962 97 T HA -0.070 4.280 4.350 0.001 0.000 0.270 97 T C 1.484 176.188 174.700 0.007 0.000 1.088 97 T CA 0.866 62.971 62.100 0.008 0.000 1.127 97 T CB -0.061 68.813 68.868 0.010 0.000 0.883 97 T HN 0.290 nan 8.240 nan 0.000 0.493 98 S N 1.480 117.184 115.700 0.006 0.000 2.515 98 S HA 0.126 4.596 4.470 0.001 0.000 0.231 98 S C 0.948 175.550 174.600 0.004 0.000 0.987 98 S CA 0.269 58.471 58.200 0.005 0.000 0.936 98 S CB -0.124 63.079 63.200 0.005 0.000 0.766 98 S HN 0.584 nan 8.310 nan 0.000 0.528 99 R N 1.451 121.953 120.500 0.003 0.000 2.653 99 R HA 0.231 4.572 4.340 0.001 0.000 0.269 99 R C -3.057 173.242 176.300 -0.002 0.000 1.603 99 R CA -1.534 54.567 56.100 0.002 0.000 1.671 99 R CB 0.841 31.143 30.300 0.003 0.000 1.300 99 R HN 0.170 nan 8.270 nan 0.000 0.668 100 P HA -0.092 nan 4.420 nan 0.000 0.265 100 P C 0.813 178.102 177.300 -0.019 0.000 1.187 100 P CA 1.250 64.342 63.100 -0.014 0.000 0.766 100 P CB 0.869 32.564 31.700 -0.008 0.000 0.820 101 G N 1.060 109.840 108.800 -0.034 0.000 2.176 101 G HA2 -0.175 3.785 3.960 0.001 0.000 0.253 101 G HA3 -0.175 3.785 3.960 0.001 0.000 0.253 101 G C -0.111 174.772 174.900 -0.029 0.000 0.979 101 G CA -0.166 44.910 45.100 -0.040 0.000 0.641 101 G HN 0.606 nan 8.290 nan 0.000 0.530 102 E N 0.945 121.136 120.200 -0.015 0.000 2.165 102 E HA 0.478 4.828 4.350 0.001 0.000 0.266 102 E C -0.375 176.234 176.600 0.015 0.000 0.889 102 E CA -0.370 56.029 56.400 -0.001 0.000 0.756 102 E CB 1.557 31.259 29.700 0.005 0.000 1.131 102 E HN 0.596 nan 8.360 nan 0.000 0.411 103 E N 1.912 122.131 120.200 0.032 0.000 2.187 103 E HA 0.205 4.556 4.350 0.001 0.000 0.268 103 E C -0.629 176.047 176.600 0.126 0.000 0.896 103 E CA -0.534 55.919 56.400 0.089 0.000 0.766 103 E CB 2.309 32.054 29.700 0.074 0.000 1.142 103 E HN 0.243 nan 8.360 nan 0.000 0.408 104 Q N 3.515 123.390 119.800 0.124 0.000 2.347 104 Q HA 0.220 4.561 4.340 0.001 0.000 0.262 104 Q C -0.739 175.288 176.000 0.045 0.000 0.980 104 Q CA -0.727 55.124 55.803 0.079 0.000 0.867 104 Q CB 1.127 29.884 28.738 0.030 0.000 1.242 104 Q HN 0.403 nan 8.270 nan 0.000 0.453 105 R N 4.520 125.012 120.500 -0.013 0.000 2.401 105 R HA 0.124 4.464 4.340 0.001 0.000 0.299 105 R C -0.375 175.752 176.300 -0.289 0.000 1.064 105 R CA -0.119 55.759 56.100 -0.370 0.000 1.000 105 R CB 0.331 30.440 30.300 -0.318 0.000 0.973 105 R HN 0.673 nan 8.270 nan 0.000 0.438 106 L N 6.015 127.021 121.223 -0.362 0.000 2.376 106 L HA 0.030 4.370 4.340 0.001 0.000 0.250 106 L C 1.077 177.819 176.870 -0.213 0.000 1.335 106 L CA -0.003 54.700 54.840 -0.228 0.000 1.214 106 L CB 0.023 41.958 42.059 -0.206 0.000 1.395 106 L HN 0.747 nan 8.230 nan 0.000 0.424 107 E N 1.571 121.670 120.200 -0.167 0.000 2.267 107 E HA -0.225 4.125 4.350 0.001 0.000 0.197 107 E C 2.170 178.714 176.600 -0.093 0.000 0.998 107 E CA 1.136 57.457 56.400 -0.131 0.000 0.830 107 E CB 0.199 29.845 29.700 -0.091 0.000 0.751 107 E HN 0.764 nan 8.360 nan 0.000 0.491 108 A N 1.353 124.129 122.820 -0.073 0.000 1.958 108 A HA -0.154 4.166 4.320 0.001 0.000 0.221 108 A C 1.580 179.135 177.584 -0.049 0.000 1.178 108 A CA 1.041 53.052 52.037 -0.044 0.000 0.642 108 A CB -0.309 18.678 19.000 -0.021 0.000 0.816 108 A HN 0.080 nan 8.150 nan 0.000 0.453 109 V N 2.036 121.900 119.914 -0.083 0.000 2.368 109 V HA 0.251 4.372 4.120 0.001 0.000 0.266 109 V C 0.584 176.611 176.094 -0.113 0.000 1.045 109 V CA -0.344 61.898 62.300 -0.096 0.000 0.899 109 V CB 0.675 32.412 31.823 -0.144 0.000 1.006 109 V HN 0.575 nan 8.190 nan 0.000 0.470 110 K N 5.220 125.570 120.400 -0.084 0.000 2.380 110 K HA 0.302 4.623 4.320 0.001 0.000 0.267 110 K C -2.689 173.868 176.600 -0.072 0.000 0.990 110 K CA -1.152 55.094 56.287 -0.069 0.000 0.946 110 K CB -0.420 32.054 32.500 -0.044 0.000 0.937 110 K HN 0.595 nan 8.250 nan 0.000 0.491 111 P HA 0.179 nan 4.420 nan 0.000 0.268 111 P C -0.381 176.906 177.300 -0.023 0.000 1.205 111 P CA -0.031 63.045 63.100 -0.039 0.000 0.771 111 P CB 0.273 31.956 31.700 -0.028 0.000 0.858 112 M N -0.433 119.167 119.600 0.000 0.000 2.880 112 M HA 0.473 4.953 4.480 0.001 0.000 0.269 112 M C -0.768 175.581 176.300 0.080 0.000 1.248 112 M CA -1.224 54.095 55.300 0.033 0.000 0.821 112 M CB 2.190 34.819 32.600 0.048 0.000 1.650 112 M HN -0.091 nan 8.290 nan 0.000 0.479 113 R N 2.010 122.579 120.500 0.115 0.000 2.357 113 R HA 0.307 4.648 4.340 0.001 0.000 0.330 113 R C -0.969 175.538 176.300 0.345 0.000 1.102 113 R CA -0.285 55.954 56.100 0.231 0.000 0.974 113 R CB -0.008 30.419 30.300 0.210 0.000 1.002 113 R HN 0.595 nan 8.270 nan 0.000 0.463 114 I N 6.988 127.857 120.570 0.497 0.000 2.452 114 I HA -0.054 4.117 4.170 0.001 0.000 0.287 114 I C 1.235 177.497 176.117 0.241 0.000 1.079 114 I CA 0.210 61.674 61.300 0.274 0.000 1.387 114 I CB 1.172 39.226 38.000 0.089 0.000 1.404 114 I HN 0.746 nan 8.210 nan 0.000 0.522 115 L N 4.989 126.369 121.223 0.263 0.000 2.463 115 L HA 0.087 4.427 4.340 0.001 0.000 0.219 115 L C 0.640 177.724 176.870 0.358 0.000 1.088 115 L CA 0.340 55.352 54.840 0.286 0.000 0.849 115 L CB 0.054 42.198 42.059 0.142 0.000 1.012 115 L HN 0.853 nan 8.230 nan 0.000 0.468 116 S N -1.733 114.157 115.700 0.315 0.000 2.688 116 S HA 0.689 5.159 4.470 0.001 0.000 0.269 116 S C -0.730 174.058 174.600 0.313 0.000 1.060 116 S CA -0.238 58.162 58.200 0.333 0.000 0.844 116 S CB 1.271 64.748 63.200 0.462 0.000 1.095 116 S HN 0.146 nan 8.310 nan 0.000 0.466 117 G N -0.621 108.342 108.800 0.271 0.000 2.368 117 G HA2 0.562 4.523 3.960 0.001 0.000 0.293 117 G HA3 0.562 4.523 3.960 0.001 0.000 0.293 117 G C -2.185 172.840 174.900 0.209 0.000 1.467 117 G CA -0.065 45.201 45.100 0.277 0.000 0.804 117 G HN 1.478 nan 8.290 nan 0.000 0.535 118 V N 0.561 120.590 119.914 0.192 0.000 2.760 118 V HA 0.576 4.697 4.120 0.001 0.000 0.309 118 V C -1.402 174.741 176.094 0.082 0.000 1.077 118 V CA -0.648 61.737 62.300 0.143 0.000 0.910 118 V CB 2.106 34.015 31.823 0.144 0.000 1.008 118 V HN 0.821 nan 8.190 nan 0.000 0.424 119 D N 2.386 122.811 120.400 0.042 0.000 2.392 119 D HA 0.295 4.935 4.640 0.001 0.000 0.228 119 D C 1.205 177.423 176.300 -0.136 0.000 1.074 119 D CA 0.168 54.165 54.000 -0.006 0.000 0.838 119 D CB 2.081 42.898 40.800 0.030 0.000 1.067 119 D HN 0.700 nan 8.370 nan 0.000 0.511 120 T N 0.888 115.307 114.554 -0.224 0.000 3.055 120 T HA 0.194 4.544 4.350 0.001 0.000 0.265 120 T C 1.475 176.107 174.700 -0.113 0.000 1.111 120 T CA 1.055 62.917 62.100 -0.396 0.000 1.118 120 T CB 0.057 68.760 68.868 -0.276 0.000 0.909 120 T HN 0.606 nan 8.240 nan 0.000 0.501 121 G N 0.991 109.769 108.800 -0.036 0.000 2.313 121 G HA2 -0.209 3.751 3.960 0.001 0.000 0.215 121 G HA3 -0.209 3.751 3.960 0.001 0.000 0.215 121 G C 0.811 175.719 174.900 0.013 0.000 1.023 121 G CA 0.272 45.379 45.100 0.012 0.000 0.626 121 G HN 0.545 nan 8.290 nan 0.000 0.503 122 E N 0.247 120.450 120.200 0.005 0.000 2.539 122 E HA 0.565 4.915 4.350 0.001 0.000 0.215 122 E C 0.489 177.100 176.600 0.017 0.000 0.965 122 E CA 0.602 57.010 56.400 0.014 0.000 1.019 122 E CB 1.377 31.088 29.700 0.019 0.000 1.059 122 E HN 0.948 nan 8.360 nan 0.000 0.496 123 A N 0.957 123.784 122.820 0.011 0.000 2.513 123 A HA 0.474 4.794 4.320 0.001 0.000 0.296 123 A C -1.076 176.535 177.584 0.044 0.000 1.052 123 A CA -0.518 51.538 52.037 0.032 0.000 0.714 123 A CB 1.564 20.580 19.000 0.026 0.000 1.279 123 A HN -0.020 nan 8.150 nan 0.000 0.397 124 V N 2.707 122.680 119.914 0.098 0.000 2.347 124 V HA 0.507 4.627 4.120 0.001 0.000 0.280 124 V C -0.321 175.938 176.094 0.275 0.000 1.021 124 V CA -0.441 61.953 62.300 0.157 0.000 0.847 124 V CB 1.332 33.241 31.823 0.143 0.000 0.990 124 V HN 0.685 nan 8.190 nan 0.000 0.444 125 V N 6.845 126.908 119.914 0.248 0.000 2.448 125 V HA 0.702 4.823 4.120 0.001 0.000 0.295 125 V C -0.434 175.859 176.094 0.333 0.000 1.025 125 V CA -0.532 61.898 62.300 0.216 0.000 0.859 125 V CB 1.140 33.034 31.823 0.119 0.000 0.988 125 V HN 0.810 nan 8.190 nan 0.000 0.431 126 F N 1.223 121.274 119.950 0.169 0.000 2.685 126 F HA 0.901 5.428 4.527 0.001 0.000 0.315 126 F C -0.248 175.691 175.800 0.231 0.000 1.126 126 F CA -0.910 57.200 58.000 0.182 0.000 0.950 126 F CB 1.816 40.900 39.000 0.140 0.000 1.360 126 F HN 0.400 nan 8.300 nan 0.000 0.469 127 T N -0.847 113.919 114.554 0.354 0.000 2.829 127 T HA 0.840 5.190 4.350 0.001 0.000 0.280 127 T C -0.393 174.514 174.700 0.346 0.000 0.999 127 T CA -0.536 61.699 62.100 0.225 0.000 0.983 127 T CB 1.368 70.306 68.868 0.116 0.000 0.968 127 T HN 1.255 nan 8.240 nan 0.000 0.446 128 G N 0.288 109.293 108.800 0.342 0.000 2.620 128 G HA2 0.710 4.670 3.960 0.001 0.000 0.301 128 G HA3 0.710 4.670 3.960 0.001 0.000 0.301 128 G C -1.212 173.801 174.900 0.188 0.000 1.347 128 G CA -1.005 44.291 45.100 0.326 0.000 0.971 128 G HN 1.070 nan 8.290 nan 0.000 0.488 129 A N 0.995 123.885 122.820 0.117 0.000 2.304 129 A HA 0.904 5.225 4.320 0.001 0.000 0.323 129 A C 0.521 178.139 177.584 0.057 0.000 1.195 129 A CA -0.008 52.045 52.037 0.026 0.000 0.826 129 A CB 1.115 20.077 19.000 -0.064 0.000 1.184 129 A HN 1.437 nan 8.150 nan 0.000 0.496 130 T N -1.463 113.113 114.554 0.036 0.000 2.762 130 T HA 0.444 4.794 4.350 0.001 0.000 0.272 130 T C 0.772 175.474 174.700 0.004 0.000 0.982 130 T CA -0.290 61.828 62.100 0.032 0.000 1.013 130 T CB 1.000 69.895 68.868 0.045 0.000 1.309 130 T HN 0.496 nan 8.240 nan 0.000 0.572 131 E N 0.613 120.814 120.200 0.001 0.000 2.110 131 E HA -0.166 4.184 4.350 0.001 0.000 0.193 131 E C 1.416 177.999 176.600 -0.028 0.000 0.988 131 E CA 1.700 58.092 56.400 -0.013 0.000 0.804 131 E CB -0.053 29.640 29.700 -0.011 0.000 0.745 131 E HN 0.805 nan 8.360 nan 0.000 0.458 132 D N -0.529 119.858 120.400 -0.022 0.000 2.389 132 D HA -0.043 4.597 4.640 0.001 0.000 0.206 132 D C 0.814 177.087 176.300 -0.046 0.000 1.055 132 D CA 0.067 54.049 54.000 -0.031 0.000 0.856 132 D CB 0.389 41.177 40.800 -0.021 0.000 0.957 132 D HN 0.129 nan 8.370 nan 0.000 0.509 133 R N -1.448 119.024 120.500 -0.047 0.000 2.752 133 R HA 0.487 4.827 4.340 0.001 0.000 0.277 133 R C -1.873 174.379 176.300 -0.081 0.000 1.024 133 R CA -0.924 55.130 56.100 -0.077 0.000 0.866 133 R CB 0.763 31.013 30.300 -0.083 0.000 1.278 133 R HN -0.177 nan 8.270 nan 0.000 0.473 134 V N 0.384 120.220 119.914 -0.129 0.000 2.472 134 V HA 0.839 4.960 4.120 0.001 0.000 0.290 134 V C -0.103 175.892 176.094 -0.166 0.000 1.037 134 V CA -0.190 62.029 62.300 -0.134 0.000 0.908 134 V CB 1.102 32.810 31.823 -0.191 0.000 0.985 134 V HN 0.938 nan 8.190 nan 0.000 0.454 135 A N 3.964 126.687 122.820 -0.160 0.000 2.556 135 A HA 0.866 5.187 4.320 0.001 0.000 0.294 135 A C -1.478 175.841 177.584 -0.442 0.000 1.091 135 A CA -0.668 51.128 52.037 -0.401 0.000 0.704 135 A CB 1.703 20.298 19.000 -0.675 0.000 1.300 135 A HN 0.779 nan 8.150 nan 0.000 0.406 136 L N 1.473 122.384 121.223 -0.521 0.000 2.264 136 L HA 0.688 5.028 4.340 0.001 0.000 0.289 136 L C -1.499 175.021 176.870 -0.583 0.000 1.044 136 L CA -0.053 54.556 54.840 -0.385 0.000 0.807 136 L CB 0.007 41.935 42.059 -0.219 0.000 1.192 136 L HN 0.594 nan 8.230 nan 0.000 0.425 137 Y N 3.406 123.412 120.300 -0.490 0.000 2.549 137 Y HA 0.813 5.364 4.550 0.001 0.000 0.339 137 Y C 0.136 175.755 175.900 -0.470 0.000 1.053 137 Y CA -0.750 56.994 58.100 -0.593 0.000 1.105 137 Y CB 2.021 39.833 38.460 -1.080 0.000 1.258 137 Y HN 0.673 nan 8.280 nan 0.000 0.478 138 A N 2.313 125.104 122.820 -0.048 0.000 2.359 138 A HA 0.697 5.017 4.320 0.001 0.000 0.303 138 A C -2.103 175.549 177.584 0.114 0.000 1.066 138 A CA -0.587 51.472 52.037 0.038 0.000 0.730 138 A CB 1.069 20.086 19.000 0.028 0.000 1.211 138 A HN 0.638 nan 8.150 nan 0.000 0.439 139 L N 3.446 124.779 121.223 0.184 0.000 2.319 139 L HA 0.778 5.118 4.340 0.001 0.000 0.281 139 L C -0.790 176.140 176.870 0.100 0.000 1.005 139 L CA -0.083 54.852 54.840 0.159 0.000 0.828 139 L CB 1.243 43.426 42.059 0.208 0.000 1.227 139 L HN 0.877 nan 8.230 nan 0.000 0.415 140 D N 2.365 122.805 120.400 0.067 0.000 2.798 140 D HA 0.379 5.020 4.640 0.001 0.000 0.308 140 D C 0.876 177.197 176.300 0.034 0.000 1.187 140 D CA -0.063 53.965 54.000 0.046 0.000 1.033 140 D CB 0.537 41.362 40.800 0.041 0.000 1.445 140 D HN 0.424 nan 8.370 nan 0.000 0.550 141 G N -1.067 107.749 108.800 0.026 0.000 2.462 141 G HA2 -0.047 3.913 3.960 0.001 0.000 0.220 141 G HA3 -0.047 3.913 3.960 0.001 0.000 0.220 141 G C 1.194 176.106 174.900 0.019 0.000 1.121 141 G CA 0.858 45.970 45.100 0.020 0.000 0.758 141 G HN 0.646 nan 8.290 nan 0.000 0.559 142 G N -0.784 108.029 108.800 0.022 0.000 2.985 142 G HA2 0.471 4.431 3.960 0.001 0.000 0.209 142 G HA3 0.471 4.431 3.960 0.001 0.000 0.209 142 G C 0.775 175.688 174.900 0.022 0.000 1.165 142 G CA 0.597 45.709 45.100 0.019 0.000 0.776 142 G HN 1.243 nan 8.290 nan 0.000 0.541 143 G N -0.872 107.945 108.800 0.028 0.000 2.306 143 G HA2 0.191 4.152 3.960 0.001 0.000 0.262 143 G HA3 0.191 4.152 3.960 0.001 0.000 0.262 143 G C -1.401 173.529 174.900 0.050 0.000 1.263 143 G CA -0.366 44.753 45.100 0.032 0.000 1.088 143 G HN 0.778 nan 8.290 nan 0.000 0.489 144 L N 0.673 121.931 121.223 0.058 0.000 2.309 144 L HA 0.927 5.267 4.340 0.001 0.000 0.282 144 L C 0.376 177.301 176.870 0.092 0.000 1.036 144 L CA -0.544 54.350 54.840 0.090 0.000 0.806 144 L CB 1.240 43.349 42.059 0.083 0.000 1.220 144 L HN 0.715 nan 8.230 nan 0.000 0.429 145 R N 3.056 123.621 120.500 0.108 0.000 2.744 145 R HA 0.364 4.705 4.340 0.001 0.000 0.279 145 R C -1.207 175.139 176.300 0.078 0.000 0.977 145 R CA -0.782 55.361 56.100 0.072 0.000 0.906 145 R CB 1.950 32.262 30.300 0.021 0.000 1.197 145 R HN 0.626 nan 8.270 nan 0.000 0.463 146 E N 3.601 123.798 120.200 -0.006 0.000 2.044 146 E HA 0.084 4.434 4.350 0.001 0.000 0.282 146 E C 0.412 176.883 176.600 -0.215 0.000 1.031 146 E CA -0.111 56.141 56.400 -0.246 0.000 0.824 146 E CB 0.633 30.193 29.700 -0.234 0.000 1.076 146 E HN 0.541 nan 8.360 nan 0.000 0.395 147 L N 3.118 124.196 121.223 -0.241 0.000 2.131 147 L HA 0.171 4.512 4.340 0.001 0.000 0.206 147 L C 0.807 177.570 176.870 -0.179 0.000 1.087 147 L CA 0.624 55.368 54.840 -0.159 0.000 0.767 147 L CB -0.069 41.920 42.059 -0.118 0.000 0.917 147 L HN 0.509 nan 8.230 nan 0.000 0.441 148 A N -0.519 122.143 122.820 -0.263 0.000 2.599 148 A HA 0.604 4.924 4.320 0.001 0.000 0.294 148 A C -1.040 176.350 177.584 -0.323 0.000 1.055 148 A CA -0.702 51.183 52.037 -0.253 0.000 0.683 148 A CB 1.080 19.948 19.000 -0.220 0.000 1.278 148 A HN 0.030 nan 8.150 nan 0.000 0.412 149 R N 0.396 120.724 120.500 -0.285 0.000 2.428 149 R HA 0.697 5.038 4.340 0.001 0.000 0.294 149 R C -1.083 175.010 176.300 -0.345 0.000 1.000 149 R CA -0.434 55.491 56.100 -0.291 0.000 0.960 149 R CB 1.242 31.406 30.300 -0.227 0.000 1.076 149 R HN 0.604 nan 8.270 nan 0.000 0.475 150 L N 3.922 124.929 121.223 -0.360 0.000 2.329 150 L HA 0.380 4.720 4.340 0.001 0.000 0.279 150 L C -1.649 174.960 176.870 -0.436 0.000 1.014 150 L CA -2.147 52.403 54.840 -0.483 0.000 0.814 150 L CB 2.096 43.950 42.059 -0.342 0.000 1.257 150 L HN 0.387 nan 8.230 nan 0.000 0.424 151 P HA -0.031 nan 4.420 nan 0.000 0.220 151 P C 0.491 177.712 177.300 -0.131 0.000 1.148 151 P CA 0.581 63.466 63.100 -0.359 0.000 0.803 151 P CB 0.395 31.845 31.700 -0.417 0.000 0.782 152 G N -2.501 106.306 108.800 0.012 0.000 2.846 152 G HA2 0.418 4.379 3.960 0.001 0.000 0.299 152 G HA3 0.418 4.379 3.960 0.001 0.000 0.299 152 G C -1.364 173.639 174.900 0.172 0.000 1.242 152 G CA -0.789 44.389 45.100 0.129 0.000 0.800 152 G HN -0.113 nan 8.290 nan 0.000 0.538 153 F N 1.082 121.138 119.950 0.176 0.000 2.623 153 F HA 0.396 4.923 4.527 0.000 0.000 0.383 153 F C 1.262 177.102 175.800 0.067 0.000 1.077 153 F CA 1.638 59.637 58.000 -0.003 0.000 1.268 153 F CB 0.797 39.783 39.000 -0.023 0.000 1.053 153 F HN 0.521 nan 8.300 nan 0.000 0.571 154 G N 2.997 111.724 108.800 -0.121 0.000 2.660 154 G HA2 0.704 4.664 3.960 0.001 0.000 0.294 154 G HA3 0.704 4.664 3.960 0.001 0.000 0.294 154 G C -2.064 172.529 174.900 -0.512 0.000 1.369 154 G CA -0.682 44.381 45.100 -0.062 0.000 0.912 154 G HN 0.368 nan 8.290 nan 0.000 0.479 155 F N 0.479 120.715 119.950 0.476 0.000 2.585 155 F HA 0.371 4.898 4.527 0.000 0.000 0.319 155 F C 0.208 176.188 175.800 0.301 0.000 1.165 155 F CA -0.936 57.270 58.000 0.343 0.000 0.949 155 F CB 2.356 41.509 39.000 0.256 0.000 1.218 155 F HN 0.279 nan 8.300 nan 0.000 0.453 156 V N 2.803 122.963 119.914 0.410 0.000 2.529 156 V HA 0.029 4.150 4.120 0.001 0.000 0.292 156 V C 0.589 176.802 176.094 0.197 0.000 1.028 156 V CA 0.628 63.085 62.300 0.260 0.000 1.074 156 V CB 0.874 32.848 31.823 0.252 0.000 0.958 156 V HN 0.994 nan 8.190 nan 0.000 0.481 157 S N 2.352 118.097 115.700 0.075 0.000 2.475 157 S HA 0.144 4.614 4.470 0.001 0.000 0.224 157 S C 0.276 174.934 174.600 0.097 0.000 1.042 157 S CA 0.203 58.449 58.200 0.077 0.000 0.935 157 S CB 0.129 63.319 63.200 -0.017 0.000 0.801 157 S HN 0.932 nan 8.310 nan 0.000 0.509 158 D N -1.067 119.381 120.400 0.080 0.000 2.720 158 D HA 0.442 5.082 4.640 0.001 0.000 0.239 158 D C -1.908 174.466 176.300 0.123 0.000 1.218 158 D CA -0.376 53.696 54.000 0.120 0.000 0.748 158 D CB 1.111 41.951 40.800 0.066 0.000 1.387 158 D HN -0.026 nan 8.370 nan 0.000 0.438 159 I N 1.541 122.240 120.570 0.215 0.000 2.619 159 I HA 0.497 4.668 4.170 0.001 0.000 0.292 159 I C -0.641 175.619 176.117 0.238 0.000 1.100 159 I CA -0.780 60.630 61.300 0.183 0.000 1.043 159 I CB 2.390 40.470 38.000 0.133 0.000 1.239 159 I HN 0.131 nan 8.210 nan 0.000 0.420 160 R N 3.787 124.366 120.500 0.132 0.000 2.514 160 R HA 0.573 4.913 4.340 0.001 0.000 0.296 160 R C 0.316 176.660 176.300 0.074 0.000 1.012 160 R CA 0.299 56.464 56.100 0.108 0.000 0.897 160 R CB 1.922 32.236 30.300 0.022 0.000 1.184 160 R HN 0.918 nan 8.270 nan 0.000 0.440 161 G N 3.578 112.429 108.800 0.085 0.000 2.611 161 G HA2 -0.372 3.588 3.960 0.001 0.000 0.301 161 G HA3 -0.372 3.588 3.960 0.001 0.000 0.301 161 G C 0.226 175.158 174.900 0.054 0.000 1.233 161 G CA 0.599 45.733 45.100 0.057 0.000 0.993 161 G HN 0.702 nan 8.290 nan 0.000 0.553 162 D N 0.253 120.676 120.400 0.038 0.000 2.355 162 D HA 0.163 4.804 4.640 0.001 0.000 0.218 162 D C 1.074 177.399 176.300 0.042 0.000 1.004 162 D CA 0.278 54.300 54.000 0.037 0.000 0.880 162 D CB 0.034 40.851 40.800 0.029 0.000 0.911 162 D HN 0.276 nan 8.370 nan 0.000 0.528 163 L N 1.297 122.544 121.223 0.040 0.000 2.290 163 L HA 0.313 4.654 4.340 0.001 0.000 0.284 163 L C -0.491 176.408 176.870 0.048 0.000 1.078 163 L CA -0.200 54.663 54.840 0.038 0.000 0.815 163 L CB 0.582 42.651 42.059 0.017 0.000 1.162 163 L HN -0.191 nan 8.230 nan 0.000 0.435 164 I N 5.072 125.676 120.570 0.057 0.000 2.412 164 I HA 0.677 4.848 4.170 0.001 0.000 0.296 164 I C -0.071 176.049 176.117 0.005 0.000 0.987 164 I CA -0.483 60.852 61.300 0.059 0.000 1.180 164 I CB 1.719 39.781 38.000 0.103 0.000 1.340 164 I HN 0.761 nan 8.210 nan 0.000 0.455 165 A N 4.183 126.959 122.820 -0.074 0.000 2.386 165 A HA 0.965 5.285 4.320 0.001 0.000 0.311 165 A C -0.297 177.033 177.584 -0.424 0.000 1.068 165 A CA -0.424 51.476 52.037 -0.227 0.000 0.743 165 A CB 1.622 20.523 19.000 -0.165 0.000 1.258 165 A HN 0.863 nan 8.150 nan 0.000 0.429 166 G N -0.188 108.058 108.800 -0.923 0.000 2.645 166 G HA2 0.591 4.551 3.960 0.001 0.000 0.292 166 G HA3 0.591 4.551 3.960 0.001 0.000 0.292 166 G C -1.804 172.618 174.900 -0.798 0.000 1.415 166 G CA -0.652 43.815 45.100 -1.055 0.000 0.785 166 G HN 0.741 nan 8.290 nan 0.000 0.483 167 L N 0.197 121.336 121.223 -0.140 0.000 2.362 167 L HA 0.747 5.088 4.340 0.001 0.000 0.275 167 L C 0.312 177.350 176.870 0.280 0.000 0.998 167 L CA -0.775 54.106 54.840 0.068 0.000 0.820 167 L CB 2.404 44.523 42.059 0.099 0.000 1.270 167 L HN 0.769 nan 8.230 nan 0.000 0.415 168 G N 1.531 110.219 108.800 -0.188 0.000 2.643 168 G HA2 0.579 4.539 3.960 0.001 0.000 0.305 168 G HA3 0.579 4.539 3.960 0.001 0.000 0.305 168 G C -1.192 173.241 174.900 -0.779 0.000 1.387 168 G CA -0.363 44.255 45.100 -0.803 0.000 0.982 168 G HN 0.295 nan 8.290 nan 0.000 0.501 169 F N 2.690 122.618 119.950 -0.037 0.000 2.566 169 F HA 0.309 4.837 4.527 0.001 0.000 0.349 169 F C 0.805 176.864 175.800 0.432 0.000 1.245 169 F CA -0.437 57.701 58.000 0.230 0.000 1.169 169 F CB 0.034 39.316 39.000 0.470 0.000 1.470 169 F HN 0.486 nan 8.300 nan 0.000 0.634 170 F N 0.955 121.074 119.950 0.282 0.000 2.664 170 F HA 0.426 4.953 4.527 0.000 0.000 0.303 170 F C 1.156 177.051 175.800 0.159 0.000 1.092 170 F CA -0.364 57.749 58.000 0.189 0.000 1.305 170 F CB 0.524 39.597 39.000 0.121 0.000 1.054 170 F HN 0.445 nan 8.300 nan 0.000 0.565 171 G N -1.000 108.014 108.800 0.356 0.000 2.351 171 G HA2 0.330 4.290 3.960 0.001 0.000 0.296 171 G HA3 0.330 4.290 3.960 0.001 0.000 0.296 171 G C 0.249 175.261 174.900 0.186 0.000 1.685 171 G CA -0.350 44.890 45.100 0.232 0.000 0.936 171 G HN 0.310 nan 8.290 nan 0.000 0.714 172 G N -0.451 108.436 108.800 0.144 0.000 2.200 172 G HA2 0.239 4.200 3.960 0.001 0.000 0.267 172 G HA3 0.239 4.200 3.960 0.001 0.000 0.267 172 G C 2.128 177.116 174.900 0.146 0.000 0.993 172 G CA 1.599 46.767 45.100 0.113 0.000 0.701 172 G HN 2.940 nan 8.290 nan 0.000 0.524 173 G N -1.598 107.346 108.800 0.240 0.000 2.184 173 G HA2 -0.305 3.655 3.960 0.001 0.000 0.264 173 G HA3 -0.305 3.655 3.960 0.001 0.000 0.264 173 G C 0.496 175.491 174.900 0.158 0.000 0.975 173 G CA 1.041 46.344 45.100 0.338 0.000 0.642 173 G HN 1.032 nan 8.290 nan 0.000 0.536 174 R N -0.328 120.226 120.500 0.091 0.000 2.539 174 R HA 0.492 4.832 4.340 0.001 0.000 0.275 174 R C -0.016 176.196 176.300 -0.147 0.000 1.077 174 R CA -0.378 55.702 56.100 -0.033 0.000 1.097 174 R CB 1.440 31.745 30.300 0.008 0.000 1.018 174 R HN 0.081 nan 8.270 nan 0.000 0.483 175 V N 2.581 122.335 119.914 -0.267 0.000 2.350 175 V HA 0.161 4.281 4.120 0.001 0.000 0.276 175 V C 0.036 176.085 176.094 -0.076 0.000 1.028 175 V CA -0.406 61.667 62.300 -0.378 0.000 0.860 175 V CB 1.336 32.857 31.823 -0.505 0.000 0.990 175 V HN 0.777 nan 8.190 nan 0.000 0.453 176 S N 4.657 120.300 115.700 -0.095 0.000 2.652 176 S HA 0.651 5.121 4.470 0.001 0.000 0.270 176 S C -0.335 174.301 174.600 0.059 0.000 1.243 176 S CA -0.479 57.794 58.200 0.122 0.000 0.999 176 S CB 1.587 64.847 63.200 0.101 0.000 0.973 176 S HN 0.541 nan 8.310 nan 0.000 0.544 177 L N 2.522 123.748 121.223 0.004 0.000 2.357 177 L HA 0.712 5.052 4.340 0.001 0.000 0.273 177 L C -0.867 176.109 176.870 0.176 0.000 1.080 177 L CA -0.258 54.465 54.840 -0.195 0.000 0.803 177 L CB 0.339 41.984 42.059 -0.690 0.000 1.174 177 L HN 0.638 nan 8.230 nan 0.000 0.443 178 F N 0.758 120.769 119.950 0.101 0.000 2.613 178 F HA 0.908 5.435 4.527 0.000 0.000 0.314 178 F C -0.659 175.250 175.800 0.180 0.000 1.075 178 F CA -0.468 57.645 58.000 0.188 0.000 0.945 178 F CB 1.561 40.694 39.000 0.222 0.000 1.310 178 F HN 0.600 nan 8.300 nan 0.000 0.467 179 T N -0.859 113.944 114.554 0.415 0.000 2.909 179 T HA 0.735 5.085 4.350 0.001 0.000 0.299 179 T C -1.069 173.809 174.700 0.298 0.000 1.073 179 T CA -0.597 61.662 62.100 0.264 0.000 0.999 179 T CB 1.538 70.547 68.868 0.235 0.000 1.098 179 T HN 1.009 nan 8.240 nan 0.000 0.477 180 S N 0.836 116.667 115.700 0.218 0.000 2.732 180 S HA 0.618 5.088 4.470 0.001 0.000 0.293 180 S C -1.569 173.085 174.600 0.090 0.000 1.159 180 S CA -0.884 57.401 58.200 0.141 0.000 0.847 180 S CB 1.634 64.912 63.200 0.130 0.000 1.169 180 S HN 0.920 nan 8.310 nan 0.000 0.501 181 N N 1.737 120.472 118.700 0.058 0.000 2.354 181 N HA 0.253 4.994 4.740 0.001 0.000 0.287 181 N C 0.295 175.825 175.510 0.033 0.000 1.016 181 N CA -0.390 52.686 53.050 0.043 0.000 0.871 181 N CB 1.618 40.125 38.487 0.033 0.000 1.299 181 N HN 0.532 nan 8.380 nan 0.000 0.482 182 L N 4.271 125.515 121.223 0.035 0.000 2.201 182 L HA -0.048 4.292 4.340 0.001 0.000 0.212 182 L C 1.912 178.794 176.870 0.021 0.000 1.105 182 L CA 1.856 56.714 54.840 0.030 0.000 0.775 182 L CB -0.478 41.601 42.059 0.034 0.000 0.913 182 L HN 0.718 nan 8.230 nan 0.000 0.440 183 S N -2.648 113.063 115.700 0.019 0.000 2.506 183 S HA 0.006 4.476 4.470 0.001 0.000 0.230 183 S C 1.769 176.373 174.600 0.008 0.000 1.066 183 S CA 0.395 58.603 58.200 0.014 0.000 0.940 183 S CB -0.542 62.666 63.200 0.014 0.000 0.818 183 S HN 0.505 nan 8.310 nan 0.000 0.518 184 S N 0.872 116.577 115.700 0.008 0.000 2.524 184 S HA 0.540 5.010 4.470 0.001 0.000 0.216 184 S C 1.435 176.031 174.600 -0.006 0.000 0.987 184 S CA 0.346 58.547 58.200 0.001 0.000 0.909 184 S CB -0.606 62.596 63.200 0.003 0.000 0.781 184 S HN 1.342 nan 8.310 nan 0.000 0.521 185 G N 1.231 110.029 108.800 -0.004 0.000 2.509 185 G HA2 0.281 4.241 3.960 0.001 0.000 0.259 185 G HA3 0.281 4.241 3.960 0.001 0.000 0.259 185 G C 0.501 175.393 174.900 -0.013 0.000 1.169 185 G CA -0.209 44.881 45.100 -0.017 0.000 0.953 185 G HN 2.046 nan 8.290 nan 0.000 0.563 186 G N -2.146 106.634 108.800 -0.034 0.000 2.829 186 G HA2 0.379 4.340 3.960 0.001 0.000 0.628 186 G HA3 0.379 4.340 3.960 0.001 0.000 0.628 186 G C -0.643 174.238 174.900 -0.032 0.000 1.412 186 G CA 0.380 45.459 45.100 -0.036 0.000 0.864 186 G HN 2.245 nan 8.290 nan 0.000 0.544 187 L N -0.523 120.675 121.223 -0.042 0.000 2.409 187 L HA 0.958 5.299 4.340 0.001 0.000 0.262 187 L C -0.151 176.699 176.870 -0.034 0.000 0.992 187 L CA -0.813 54.010 54.840 -0.029 0.000 0.817 187 L CB 2.244 44.239 42.059 -0.106 0.000 1.350 187 L HN 0.885 nan 8.230 nan 0.000 0.411 188 R N 2.605 123.103 120.500 -0.005 0.000 2.574 188 R HA 0.788 5.129 4.340 0.001 0.000 0.288 188 R C -1.686 174.479 176.300 -0.227 0.000 1.004 188 R CA -0.792 55.203 56.100 -0.175 0.000 0.895 188 R CB 2.360 32.537 30.300 -0.204 0.000 1.191 188 R HN 0.396 nan 8.270 nan 0.000 0.444 189 V N 3.644 123.352 119.914 -0.344 0.000 2.459 189 V HA 0.551 4.672 4.120 0.001 0.000 0.295 189 V C -0.916 174.910 176.094 -0.447 0.000 1.029 189 V CA -0.744 61.456 62.300 -0.167 0.000 0.874 189 V CB 1.335 33.213 31.823 0.092 0.000 0.985 189 V HN 0.533 nan 8.190 nan 0.000 0.438 190 F N 2.055 122.077 119.950 0.119 0.000 2.460 190 F HA 0.533 5.061 4.527 0.000 0.000 0.341 190 F C 0.223 176.139 175.800 0.193 0.000 1.130 190 F CA -0.765 57.295 58.000 0.099 0.000 0.962 190 F CB 1.329 40.330 39.000 0.001 0.000 1.171 190 F HN 0.391 nan 8.300 nan 0.000 0.436 191 D N 1.067 121.664 120.400 0.327 0.000 2.229 191 D HA 0.261 4.902 4.640 0.001 0.000 0.249 191 D C -0.590 175.885 176.300 0.293 0.000 1.027 191 D CA -0.196 53.980 54.000 0.293 0.000 0.923 191 D CB 2.162 43.068 40.800 0.178 0.000 1.174 191 D HN 0.364 nan 8.370 nan 0.000 0.443 192 S N -0.469 115.331 115.700 0.167 0.000 2.449 192 S HA 0.477 4.947 4.470 0.001 0.000 0.310 192 S C 1.141 175.731 174.600 -0.017 0.000 1.096 192 S CA -0.678 57.525 58.200 0.006 0.000 1.095 192 S CB 1.295 64.325 63.200 -0.284 0.000 1.007 192 S HN 0.467 nan 8.310 nan 0.000 0.474 193 G N 2.671 111.472 108.800 0.002 0.000 2.534 193 G HA2 -0.047 3.913 3.960 0.001 0.000 0.217 193 G HA3 -0.047 3.913 3.960 0.001 0.000 0.217 193 G C 1.047 175.929 174.900 -0.031 0.000 1.128 193 G CA 0.311 45.409 45.100 -0.003 0.000 0.784 193 G HN 0.769 nan 8.290 nan 0.000 0.542 194 E N -0.410 119.753 120.200 -0.062 0.000 2.158 194 E HA 0.235 4.585 4.350 0.001 0.000 0.191 194 E C 1.487 178.027 176.600 -0.100 0.000 0.982 194 E CA 0.601 56.956 56.400 -0.076 0.000 0.823 194 E CB 0.279 29.927 29.700 -0.088 0.000 0.766 194 E HN 0.413 nan 8.360 nan 0.000 0.468 195 G N -0.372 108.336 108.800 -0.154 0.000 2.485 195 G HA2 0.173 4.133 3.960 0.001 0.000 0.182 195 G HA3 0.173 4.133 3.960 0.001 0.000 0.182 195 G C -1.172 173.581 174.900 -0.246 0.000 1.172 195 G CA -0.496 44.505 45.100 -0.165 0.000 0.996 195 G HN 0.030 nan 8.290 nan 0.000 0.496 196 S N -0.633 114.900 115.700 -0.277 0.000 2.542 196 S HA 0.730 5.200 4.470 0.001 0.000 0.293 196 S C -1.178 173.213 174.600 -0.347 0.000 1.089 196 S CA -0.428 57.595 58.200 -0.295 0.000 0.961 196 S CB 1.343 64.419 63.200 -0.207 0.000 1.062 196 S HN 0.412 nan 8.310 nan 0.000 0.483 197 F N 1.994 121.876 119.950 -0.113 0.000 2.443 197 F HA 0.280 4.807 4.527 0.000 0.000 0.353 197 F C 1.733 177.461 175.800 -0.120 0.000 1.101 197 F CA -0.038 57.900 58.000 -0.104 0.000 1.226 197 F CB 1.187 40.128 39.000 -0.097 0.000 1.140 197 F HN 0.712 nan 8.300 nan 0.000 0.557 198 S N -0.091 115.664 115.700 0.091 0.000 2.575 198 S HA 0.289 4.759 4.470 0.001 0.000 0.230 198 S C 0.141 174.751 174.600 0.017 0.000 1.062 198 S CA 0.468 58.682 58.200 0.023 0.000 0.913 198 S CB -0.022 63.184 63.200 0.010 0.000 0.837 198 S HN 0.605 nan 8.310 nan 0.000 0.487 199 S N -0.009 115.693 115.700 0.004 0.000 2.672 199 S HA 0.887 5.358 4.470 0.001 0.000 0.271 199 S C -1.158 173.380 174.600 -0.103 0.000 1.171 199 S CA -0.498 57.669 58.200 -0.055 0.000 0.817 199 S CB 1.175 64.315 63.200 -0.100 0.000 1.150 199 S HN 1.360 nan 8.310 nan 0.000 0.478 200 A N 0.153 122.879 122.820 -0.158 0.000 2.540 200 A HA 0.879 5.200 4.320 0.001 0.000 0.297 200 A C -0.741 176.743 177.584 -0.167 0.000 1.056 200 A CA -0.409 51.527 52.037 -0.169 0.000 0.700 200 A CB 1.472 20.362 19.000 -0.184 0.000 1.280 200 A HN 1.348 nan 8.150 nan 0.000 0.398 201 S N 1.026 116.646 115.700 -0.134 0.000 2.556 201 S HA 0.733 5.203 4.470 0.001 0.000 0.271 201 S C -1.184 173.463 174.600 0.079 0.000 1.135 201 S CA -0.521 57.657 58.200 -0.037 0.000 0.858 201 S CB 0.847 63.992 63.200 -0.091 0.000 1.114 201 S HN 0.669 nan 8.310 nan 0.000 0.468 202 I N 3.856 124.467 120.570 0.067 0.000 2.315 202 I HA 0.282 4.452 4.170 0.001 0.000 0.291 202 I C 0.846 176.845 176.117 -0.197 0.000 1.006 202 I CA -0.456 60.828 61.300 -0.027 0.000 1.265 202 I CB 1.580 39.552 38.000 -0.046 0.000 1.387 202 I HN 0.715 nan 8.210 nan 0.000 0.475 203 S N 6.279 121.758 115.700 -0.369 0.000 2.589 203 S HA 0.214 4.684 4.470 0.001 0.000 0.265 203 S C -1.837 172.437 174.600 -0.545 0.000 1.342 203 S CA -0.937 56.727 58.200 -0.894 0.000 1.005 203 S CB 0.654 63.576 63.200 -0.464 0.000 0.909 203 S HN 0.404 nan 8.310 nan 0.000 0.555 204 P HA 0.054 nan 4.420 nan 0.000 0.219 204 P C 1.342 178.526 177.300 -0.193 0.000 1.146 204 P CA 1.330 64.260 63.100 -0.284 0.000 0.808 204 P CB -0.414 31.147 31.700 -0.232 0.000 0.779 205 G N -1.252 107.432 108.800 -0.193 0.000 2.956 205 G HA2 -0.049 3.911 3.960 0.001 0.000 0.207 205 G HA3 -0.049 3.911 3.960 0.001 0.000 0.207 205 G C 0.551 175.387 174.900 -0.106 0.000 1.162 205 G CA -0.020 45.005 45.100 -0.125 0.000 0.796 205 G HN 0.019 nan 8.290 nan 0.000 0.527 206 M N -0.950 118.577 119.600 -0.122 0.000 2.653 206 M HA -0.134 4.346 4.480 0.001 0.000 0.203 206 M C 0.044 176.288 176.300 -0.093 0.000 0.502 206 M CA 0.961 56.205 55.300 -0.093 0.000 0.601 206 M CB -2.345 30.219 32.600 -0.060 0.000 2.228 206 M HN 0.319 nan 8.290 nan 0.000 0.711 207 K N -0.288 120.045 120.400 -0.111 0.000 2.166 207 K HA 0.746 5.066 4.320 0.001 0.000 0.245 207 K C 0.120 176.655 176.600 -0.110 0.000 0.967 207 K CA -0.839 55.383 56.287 -0.109 0.000 0.863 207 K CB 2.288 34.732 32.500 -0.092 0.000 1.107 207 K HN -0.004 nan 8.250 nan 0.000 0.436 208 V N 2.167 121.995 119.914 -0.144 0.000 2.364 208 V HA 0.134 4.254 4.120 0.001 0.000 0.272 208 V C -0.084 175.942 176.094 -0.113 0.000 1.036 208 V CA -0.554 61.660 62.300 -0.145 0.000 0.880 208 V CB 1.149 32.825 31.823 -0.244 0.000 0.991 208 V HN 0.736 nan 8.190 nan 0.000 0.460 209 T N 4.883 119.416 114.554 -0.035 0.000 2.817 209 T HA 0.696 5.046 4.350 0.001 0.000 0.293 209 T C 0.122 174.761 174.700 -0.101 0.000 0.964 209 T CA -0.085 61.988 62.100 -0.045 0.000 1.085 209 T CB 1.308 70.172 68.868 -0.007 0.000 0.921 209 T HN 0.968 nan 8.240 nan 0.000 0.502 210 A N 2.159 124.938 122.820 -0.068 0.000 2.515 210 A HA 0.808 5.128 4.320 0.001 0.000 0.298 210 A C 0.143 177.753 177.584 0.044 0.000 1.059 210 A CA -0.821 51.206 52.037 -0.017 0.000 0.698 210 A CB 1.419 20.434 19.000 0.025 0.000 1.289 210 A HN 0.955 nan 8.150 nan 0.000 0.404 211 G N 0.022 108.844 108.800 0.037 0.000 2.390 211 G HA2 0.533 4.493 3.960 0.001 0.000 0.270 211 G HA3 0.533 4.493 3.960 0.001 0.000 0.270 211 G C -0.857 174.089 174.900 0.076 0.000 1.211 211 G CA -0.093 45.035 45.100 0.047 0.000 0.842 211 G HN 1.036 nan 8.290 nan 0.000 0.519 212 L N 1.536 122.755 121.223 -0.006 0.000 2.343 212 L HA 0.487 4.827 4.340 0.001 0.000 0.278 212 L C -0.244 176.550 176.870 -0.127 0.000 0.996 212 L CA -0.688 54.052 54.840 -0.167 0.000 0.831 212 L CB 1.629 43.561 42.059 -0.212 0.000 1.232 212 L HN 0.579 nan 8.230 nan 0.000 0.413 213 E N 3.575 123.686 120.200 -0.147 0.000 2.081 213 E HA 0.418 4.768 4.350 0.001 0.000 0.276 213 E C -0.229 176.308 176.600 -0.104 0.000 0.950 213 E CA -0.362 55.983 56.400 -0.092 0.000 0.776 213 E CB 1.047 30.706 29.700 -0.067 0.000 1.094 213 E HN 0.748 nan 8.360 nan 0.000 0.402 214 T N -0.754 113.755 114.554 -0.075 0.000 2.892 214 T HA 0.494 4.844 4.350 0.001 0.000 0.280 214 T C 1.483 176.167 174.700 -0.027 0.000 1.004 214 T CA -0.133 61.928 62.100 -0.064 0.000 0.950 214 T CB 1.171 70.001 68.868 -0.064 0.000 1.309 214 T HN 0.319 nan 8.240 nan 0.000 0.592 215 A N 0.996 123.808 122.820 -0.013 0.000 1.909 215 A HA -0.184 4.136 4.320 0.001 0.000 0.221 215 A C 2.185 179.792 177.584 0.038 0.000 1.223 215 A CA 1.993 54.041 52.037 0.018 0.000 0.658 215 A CB -0.766 18.244 19.000 0.016 0.000 0.831 215 A HN 0.840 nan 8.150 nan 0.000 0.462 216 R N -1.066 119.443 120.500 0.014 0.000 2.549 216 R HA 0.175 4.515 4.340 0.001 0.000 0.399 216 R C -0.678 175.611 176.300 -0.018 0.000 0.964 216 R CA 0.308 56.416 56.100 0.013 0.000 1.173 216 R CB 0.760 31.060 30.300 -0.000 0.000 1.535 216 R HN 0.739 nan 8.270 nan 0.000 0.551 217 E N 0.352 120.533 120.200 -0.031 0.000 2.445 217 E HA 0.676 5.026 4.350 0.001 0.000 0.279 217 E C -1.609 174.962 176.600 -0.049 0.000 1.018 217 E CA -1.028 55.339 56.400 -0.054 0.000 0.816 217 E CB 1.526 31.187 29.700 -0.065 0.000 1.356 217 E HN -0.039 nan 8.360 nan 0.000 0.462 218 A N 0.777 123.566 122.820 -0.052 0.000 2.423 218 A HA 0.918 5.238 4.320 0.001 0.000 0.304 218 A C -0.508 177.076 177.584 0.000 0.000 1.104 218 A CA -0.619 51.406 52.037 -0.021 0.000 0.757 218 A CB 1.484 20.491 19.000 0.012 0.000 1.313 218 A HN 0.794 nan 8.150 nan 0.000 0.423 219 R N 0.090 120.613 120.500 0.038 0.000 2.747 219 R HA 0.728 5.068 4.340 0.001 0.000 0.272 219 R C -1.985 174.370 176.300 0.091 0.000 1.032 219 R CA -0.927 55.232 56.100 0.099 0.000 0.896 219 R CB 0.766 31.094 30.300 0.047 0.000 1.253 219 R HN 0.470 nan 8.270 nan 0.000 0.461 220 L N 1.669 122.947 121.223 0.092 0.000 2.309 220 L HA 0.716 5.057 4.340 0.001 0.000 0.282 220 L C -0.182 176.691 176.870 0.006 0.000 1.036 220 L CA -1.155 53.689 54.840 0.007 0.000 0.806 220 L CB 1.835 43.831 42.059 -0.106 0.000 1.220 220 L HN 0.586 nan 8.230 nan 0.000 0.429 221 V N -0.911 119.013 119.914 0.016 0.000 3.040 221 V HA 0.652 4.773 4.120 0.001 0.000 0.312 221 V C -0.334 175.763 176.094 0.005 0.000 1.115 221 V CA -0.470 61.846 62.300 0.027 0.000 0.998 221 V CB 1.984 33.854 31.823 0.077 0.000 1.042 221 V HN 0.665 nan 8.190 nan 0.000 0.433 222 T N 2.652 117.199 114.554 -0.012 0.000 2.758 222 T HA 0.647 4.997 4.350 0.001 0.000 0.285 222 T C -0.422 174.236 174.700 -0.069 0.000 0.981 222 T CA -0.268 61.807 62.100 -0.042 0.000 0.965 222 T CB 1.236 70.084 68.868 -0.035 0.000 0.927 222 T HN 0.733 nan 8.240 nan 0.000 0.448 223 V N 3.767 123.595 119.914 -0.143 0.000 2.417 223 V HA 0.322 4.442 4.120 0.001 0.000 0.291 223 V C 0.043 175.978 176.094 -0.264 0.000 1.024 223 V CA -0.980 61.176 62.300 -0.240 0.000 0.861 223 V CB 1.690 33.245 31.823 -0.447 0.000 0.985 223 V HN 0.792 nan 8.190 nan 0.000 0.436 224 D N 7.796 128.074 120.400 -0.203 0.000 2.339 224 D HA 0.231 4.871 4.640 0.001 0.000 0.241 224 D C -1.288 174.902 176.300 -0.184 0.000 1.183 224 D CA -2.061 51.849 54.000 -0.149 0.000 0.859 224 D CB 2.050 42.807 40.800 -0.072 0.000 1.067 224 D HN 0.260 nan 8.370 nan 0.000 0.484 225 P HA -0.089 nan 4.420 nan 0.000 0.228 225 P C 0.943 178.318 177.300 0.125 0.000 1.151 225 P CA 0.581 63.641 63.100 -0.067 0.000 0.770 225 P CB 0.389 32.081 31.700 -0.014 0.000 0.786 226 R N 0.193 120.728 120.500 0.057 0.000 2.200 226 R HA -0.034 4.306 4.340 0.001 0.000 0.208 226 R C 1.138 177.492 176.300 0.091 0.000 1.033 226 R CA 1.524 57.667 56.100 0.073 0.000 1.000 226 R CB -0.113 30.207 30.300 0.032 0.000 0.906 226 R HN 0.330 nan 8.270 nan 0.000 0.462 227 D N -3.244 117.215 120.400 0.099 0.000 2.410 227 D HA 0.078 4.718 4.640 0.001 0.000 0.275 227 D C 0.974 177.364 176.300 0.150 0.000 1.152 227 D CA 0.650 54.710 54.000 0.101 0.000 0.825 227 D CB 0.338 41.172 40.800 0.056 0.000 1.312 227 D HN 0.097 nan 8.370 nan 0.000 0.532 228 G N 0.906 109.812 108.800 0.176 0.000 2.157 228 G HA2 -0.235 3.725 3.960 0.001 0.000 0.239 228 G HA3 -0.235 3.725 3.960 0.001 0.000 0.239 228 G C 0.317 175.272 174.900 0.092 0.000 0.982 228 G CA 0.341 45.586 45.100 0.242 0.000 0.650 228 G HN 0.933 nan 8.290 nan 0.000 0.527 229 S N -0.837 114.882 115.700 0.033 0.000 2.576 229 S HA 0.694 5.164 4.470 0.001 0.000 0.276 229 S C 0.077 174.670 174.600 -0.011 0.000 1.339 229 S CA -0.013 58.200 58.200 0.021 0.000 1.039 229 S CB 2.562 65.770 63.200 0.013 0.000 0.902 229 S HN 1.172 nan 8.310 nan 0.000 0.516 230 V N 3.004 122.926 119.914 0.014 0.000 2.709 230 V HA 0.731 4.852 4.120 0.001 0.000 0.308 230 V C -0.332 175.772 176.094 0.016 0.000 1.062 230 V CA -0.676 61.635 62.300 0.018 0.000 0.901 230 V CB 1.444 33.309 31.823 0.070 0.000 1.003 230 V HN 1.126 nan 8.190 nan 0.000 0.425 231 E N 1.381 121.586 120.200 0.008 0.000 2.412 231 E HA 0.478 4.829 4.350 0.001 0.000 0.279 231 E C -1.874 174.729 176.600 0.004 0.000 0.984 231 E CA -0.992 55.411 56.400 0.005 0.000 0.788 231 E CB 2.014 31.712 29.700 -0.002 0.000 1.277 231 E HN 0.447 nan 8.360 nan 0.000 0.455 232 D N 1.212 121.614 120.400 0.004 0.000 2.414 232 D HA 0.189 4.829 4.640 0.001 0.000 0.242 232 D C -0.611 175.687 176.300 -0.003 0.000 1.129 232 D CA -0.156 53.846 54.000 0.004 0.000 0.885 232 D CB 0.931 41.734 40.800 0.005 0.000 1.198 232 D HN 0.317 nan 8.370 nan 0.000 0.437 233 L N 2.735 123.953 121.223 -0.009 0.000 2.265 233 L HA 0.217 4.557 4.340 0.001 0.000 0.289 233 L C -0.390 176.466 176.870 -0.023 0.000 1.033 233 L CA -0.402 54.425 54.840 -0.023 0.000 0.814 233 L CB 0.759 42.791 42.059 -0.044 0.000 1.203 233 L HN 0.106 nan 8.230 nan 0.000 0.423 234 E N 6.028 126.218 120.200 -0.016 0.000 2.259 234 E HA 0.323 4.673 4.350 0.001 0.000 0.281 234 E C -0.683 175.902 176.600 -0.026 0.000 1.027 234 E CA -0.255 56.138 56.400 -0.012 0.000 0.838 234 E CB 1.605 31.302 29.700 -0.004 0.000 1.066 234 E HN 0.608 nan 8.360 nan 0.000 0.401 235 L N 4.238 125.442 121.223 -0.032 0.000 2.360 235 L HA 0.241 4.581 4.340 0.001 0.000 0.271 235 L C -1.234 175.628 176.870 -0.013 0.000 1.057 235 L CA -1.920 52.894 54.840 -0.044 0.000 0.803 235 L CB 0.927 42.932 42.059 -0.090 0.000 1.207 235 L HN 0.238 nan 8.230 nan 0.000 0.445 236 P HA -0.084 nan 4.420 nan 0.000 0.217 236 P C 0.457 177.766 177.300 0.015 0.000 1.150 236 P CA 0.760 63.862 63.100 0.004 0.000 0.832 236 P CB 0.264 31.966 31.700 0.003 0.000 0.787 237 S N -0.281 115.433 115.700 0.023 0.000 2.554 237 S HA 0.249 4.719 4.470 0.001 0.000 0.278 237 S C 0.856 175.489 174.600 0.054 0.000 1.242 237 S CA -0.595 57.632 58.200 0.044 0.000 1.051 237 S CB 0.354 63.594 63.200 0.067 0.000 0.986 237 S HN -0.186 nan 8.310 nan 0.000 0.502 238 K N 2.756 123.191 120.400 0.059 0.000 2.387 238 K HA 0.151 4.471 4.320 0.001 0.000 0.198 238 K C 0.469 177.113 176.600 0.073 0.000 1.022 238 K CA 0.022 56.344 56.287 0.058 0.000 1.128 238 K CB -0.137 32.386 32.500 0.038 0.000 0.853 238 K HN 0.571 nan 8.250 nan 0.000 0.523 239 D N 0.789 121.262 120.400 0.120 0.000 2.123 239 D HA -0.188 4.452 4.640 0.001 0.000 0.196 239 D C 1.565 177.918 176.300 0.089 0.000 0.992 239 D CA 0.956 55.067 54.000 0.186 0.000 0.833 239 D CB -0.196 40.799 40.800 0.325 0.000 0.954 239 D HN 0.181 nan 8.370 nan 0.000 0.455 240 F N 1.942 121.693 119.950 -0.332 0.000 2.075 240 F HA -0.255 4.272 4.527 0.000 0.000 0.297 240 F C 2.572 178.172 175.800 -0.334 0.000 1.113 240 F CA 2.190 59.669 58.000 -0.868 0.000 1.218 240 F CB -0.459 38.013 39.000 -0.881 0.000 0.984 240 F HN -0.014 nan 8.300 nan 0.000 0.472 241 S N -0.816 114.822 115.700 -0.104 0.000 2.382 241 S HA -0.179 4.291 4.470 0.001 0.000 0.228 241 S C 2.078 176.577 174.600 -0.169 0.000 1.027 241 S CA 1.490 59.592 58.200 -0.163 0.000 0.991 241 S CB -0.993 62.209 63.200 0.003 0.000 0.823 241 S HN 0.386 nan 8.310 nan 0.000 0.469 242 S N 0.430 116.085 115.700 -0.075 0.000 2.447 242 S HA 0.016 4.486 4.470 0.001 0.000 0.233 242 S C 1.329 175.922 174.600 -0.012 0.000 1.006 242 S CA 0.824 59.005 58.200 -0.031 0.000 0.957 242 S CB -0.596 62.619 63.200 0.025 0.000 0.773 242 S HN 0.733 nan 8.310 nan 0.000 0.507 243 Y N 2.308 122.507 120.300 -0.168 0.000 2.421 243 Y HA 0.021 4.572 4.550 0.001 0.000 0.292 243 Y C 0.715 176.520 175.900 -0.159 0.000 1.136 243 Y CA 0.790 58.828 58.100 -0.103 0.000 1.255 243 Y CB -0.234 38.208 38.460 -0.031 0.000 0.991 243 Y HN 0.031 nan 8.280 nan 0.000 0.552 244 R N 0.099 120.421 120.500 -0.296 0.000 3.267 244 R HA -0.156 4.185 4.340 0.001 0.000 0.254 244 R C -2.570 173.502 176.300 -0.380 0.000 0.993 244 R CA 0.289 56.199 56.100 -0.315 0.000 0.670 244 R CB -1.956 28.204 30.300 -0.234 0.000 1.125 244 R HN 0.341 nan 8.270 nan 0.000 0.434 245 P HA -0.099 nan 4.420 nan 0.000 0.266 245 P C 0.864 178.071 177.300 -0.156 0.000 1.193 245 P CA 0.698 63.674 63.100 -0.206 0.000 0.770 245 P CB 0.815 32.475 31.700 -0.067 0.000 0.836 246 T N -0.881 113.600 114.554 -0.123 0.000 3.037 246 T HA 0.441 4.792 4.350 0.001 0.000 0.251 246 T C 0.625 175.290 174.700 -0.057 0.000 1.079 246 T CA 0.302 62.344 62.100 -0.097 0.000 1.067 246 T CB 0.115 68.914 68.868 -0.115 0.000 0.948 246 T HN 0.655 nan 8.240 nan 0.000 0.496 247 A N 0.337 123.144 122.820 -0.021 0.000 2.594 247 A HA 0.740 5.061 4.320 0.001 0.000 0.295 247 A C -1.616 176.016 177.584 0.081 0.000 1.071 247 A CA -0.966 51.079 52.037 0.013 0.000 0.685 247 A CB 1.155 20.147 19.000 -0.013 0.000 1.285 247 A HN 0.361 nan 8.150 nan 0.000 0.405 248 I N 1.561 122.183 120.570 0.086 0.000 2.355 248 I HA 0.293 4.463 4.170 0.001 0.000 0.288 248 I C 1.047 177.238 176.117 0.122 0.000 0.999 248 I CA -0.275 61.103 61.300 0.130 0.000 1.163 248 I CB 2.193 40.258 38.000 0.109 0.000 1.316 248 I HN 0.802 nan 8.210 nan 0.000 0.454 249 T N 4.464 119.119 114.554 0.169 0.000 2.809 249 T HA -0.051 4.299 4.350 0.001 0.000 0.260 249 T C -0.316 174.540 174.700 0.259 0.000 1.039 249 T CA 1.083 63.291 62.100 0.179 0.000 1.141 249 T CB 0.072 69.055 68.868 0.191 0.000 0.869 249 T HN 0.632 nan 8.240 nan 0.000 0.437 250 W N 0.899 122.225 121.300 0.044 0.000 3.275 250 W HA 0.477 5.138 4.660 0.001 0.000 0.306 250 W C -2.600 173.919 176.519 -0.001 0.000 1.259 250 W CA -1.432 55.925 57.345 0.019 0.000 1.194 250 W CB 0.901 30.374 29.460 0.022 0.000 1.375 250 W HN 0.086 nan 8.180 nan 0.000 0.564 251 L N 2.618 123.150 121.223 -1.152 0.000 2.518 251 L HA 1.119 5.460 4.340 0.001 0.000 0.257 251 L C -0.558 175.211 176.870 -1.836 0.000 0.980 251 L CA -0.654 53.383 54.840 -1.338 0.000 0.837 251 L CB 1.664 43.332 42.059 -0.652 0.000 1.410 251 L HN 0.892 nan 8.230 nan 0.000 0.410 252 G N -0.256 107.702 108.800 -1.403 0.000 2.616 252 G HA2 0.472 4.432 3.960 0.001 0.000 0.294 252 G HA3 0.472 4.432 3.960 0.001 0.000 0.294 252 G C -2.241 172.401 174.900 -0.430 0.000 1.489 252 G CA -0.685 43.960 45.100 -0.759 0.000 0.836 252 G HN 0.591 nan 8.290 nan 0.000 0.527 253 Y N 0.458 120.666 120.300 -0.152 0.000 2.319 253 Y HA 0.505 5.055 4.550 0.000 0.000 0.328 253 Y C 1.260 177.132 175.900 -0.046 0.000 1.133 253 Y CA -0.264 57.778 58.100 -0.097 0.000 1.265 253 Y CB 1.098 39.494 38.460 -0.106 0.000 1.218 253 Y HN 0.307 nan 8.280 nan 0.000 0.508 254 L N 5.175 126.461 121.223 0.104 0.000 2.454 254 L HA 0.262 4.602 4.340 0.001 0.000 0.256 254 L C -1.438 175.404 176.870 -0.047 0.000 1.136 254 L CA -1.880 52.978 54.840 0.029 0.000 0.804 254 L CB 0.414 42.483 42.059 0.018 0.000 1.181 254 L HN 0.451 nan 8.230 nan 0.000 0.469 255 P HA -0.144 nan 4.420 nan 0.000 0.218 255 P C 0.480 177.689 177.300 -0.152 0.000 1.149 255 P CA 0.968 63.906 63.100 -0.269 0.000 0.817 255 P CB -0.011 31.317 31.700 -0.620 0.000 0.785 256 D N -1.817 118.517 120.400 -0.109 0.000 2.378 256 D HA 0.058 4.698 4.640 0.001 0.000 0.227 256 D C 1.423 177.708 176.300 -0.026 0.000 1.012 256 D CA 0.791 54.756 54.000 -0.058 0.000 0.905 256 D CB -0.998 39.777 40.800 -0.042 0.000 0.895 256 D HN 0.233 nan 8.370 nan 0.000 0.532 257 G N -0.246 108.549 108.800 -0.008 0.000 2.217 257 G HA2 -0.306 3.654 3.960 0.001 0.000 0.246 257 G HA3 -0.306 3.654 3.960 0.001 0.000 0.246 257 G C 0.330 175.303 174.900 0.123 0.000 0.990 257 G CA -0.149 44.968 45.100 0.029 0.000 0.627 257 G HN 0.459 nan 8.290 nan 0.000 0.522 258 R N -0.234 120.315 120.500 0.083 0.000 2.441 258 R HA 0.568 4.909 4.340 0.001 0.000 0.284 258 R C -0.231 176.084 176.300 0.025 0.000 1.070 258 R CA -0.723 55.412 56.100 0.058 0.000 1.047 258 R CB 1.210 31.519 30.300 0.016 0.000 1.016 258 R HN 0.185 nan 8.270 nan 0.000 0.477 259 L N 2.412 123.578 121.223 -0.095 0.000 2.265 259 L HA 0.380 4.721 4.340 0.001 0.000 0.288 259 L C -0.629 176.097 176.870 -0.240 0.000 1.058 259 L CA 0.069 54.679 54.840 -0.384 0.000 0.809 259 L CB 1.127 42.867 42.059 -0.532 0.000 1.179 259 L HN 0.734 nan 8.230 nan 0.000 0.429 260 A N 5.259 127.946 122.820 -0.222 0.000 2.292 260 A HA 0.788 5.108 4.320 0.001 0.000 0.319 260 A C -1.105 176.407 177.584 -0.120 0.000 1.206 260 A CA -0.489 51.523 52.037 -0.042 0.000 0.835 260 A CB 1.058 20.170 19.000 0.186 0.000 1.164 260 A HN 0.546 nan 8.150 nan 0.000 0.505 261 V N 2.937 122.860 119.914 0.015 0.000 2.668 261 V HA 0.404 4.524 4.120 0.001 0.000 0.304 261 V C -0.724 175.529 176.094 0.265 0.000 1.071 261 V CA -0.533 61.781 62.300 0.022 0.000 0.894 261 V CB 1.881 33.591 31.823 -0.189 0.000 1.008 261 V HN 0.662 nan 8.190 nan 0.000 0.425 262 V N 3.969 124.074 119.914 0.318 0.000 2.378 262 V HA 0.896 5.017 4.120 0.001 0.000 0.288 262 V C 0.319 176.610 176.094 0.329 0.000 1.016 262 V CA -0.113 62.382 62.300 0.325 0.000 0.840 262 V CB 1.372 33.391 31.823 0.327 0.000 0.994 262 V HN 1.066 nan 8.190 nan 0.000 0.431 263 A N 6.026 129.077 122.820 0.385 0.000 2.435 263 A HA 1.085 5.405 4.320 0.001 0.000 0.296 263 A C -0.453 177.366 177.584 0.393 0.000 1.147 263 A CA -0.881 51.391 52.037 0.392 0.000 0.775 263 A CB 2.112 21.425 19.000 0.521 0.000 1.340 263 A HN 0.927 nan 8.150 nan 0.000 0.427 264 R N -0.448 120.266 120.500 0.357 0.000 2.734 264 R HA 0.809 5.150 4.340 0.001 0.000 0.271 264 R C -1.310 175.078 176.300 0.146 0.000 1.021 264 R CA -0.911 55.374 56.100 0.308 0.000 0.893 264 R CB 1.539 31.933 30.300 0.157 0.000 1.244 264 R HN 1.055 nan 8.270 nan 0.000 0.464 265 R N 0.029 120.571 120.500 0.071 0.000 2.629 265 R HA 0.279 4.619 4.340 0.001 0.000 0.266 265 R C -1.161 175.128 176.300 -0.019 0.000 1.051 265 R CA -0.888 55.160 56.100 -0.086 0.000 0.895 265 R CB 1.400 31.572 30.300 -0.214 0.000 1.246 265 R HN 0.847 nan 8.270 nan 0.000 0.459 266 E N 0.787 120.955 120.200 -0.053 0.000 2.328 266 E HA -0.292 4.058 4.350 0.001 0.000 0.233 266 E C 0.597 177.322 176.600 0.208 0.000 1.219 266 E CA 0.964 57.442 56.400 0.131 0.000 0.717 266 E CB -1.474 28.356 29.700 0.216 0.000 1.210 266 E HN 1.166 nan 8.360 nan 0.000 0.381 267 G N -0.202 108.673 108.800 0.125 0.000 2.184 267 G HA2 -0.376 3.584 3.960 0.001 0.000 0.264 267 G HA3 -0.376 3.584 3.960 0.001 0.000 0.264 267 G C 0.252 175.218 174.900 0.111 0.000 0.975 267 G CA 0.762 45.972 45.100 0.183 0.000 0.642 267 G HN 0.339 nan 8.290 nan 0.000 0.536 268 R N -0.129 120.451 120.500 0.134 0.000 2.854 268 R HA 0.718 5.058 4.340 0.001 0.000 0.271 268 R C 0.150 176.557 176.300 0.179 0.000 0.996 268 R CA 0.009 56.186 56.100 0.129 0.000 0.961 268 R CB 1.902 32.301 30.300 0.166 0.000 1.182 268 R HN 0.433 nan 8.270 nan 0.000 0.479 269 S N 0.118 115.924 115.700 0.177 0.000 2.715 269 S HA 0.915 5.385 4.470 0.001 0.000 0.307 269 S C -0.974 173.783 174.600 0.262 0.000 1.119 269 S CA -0.797 57.559 58.200 0.260 0.000 0.937 269 S CB 2.271 65.619 63.200 0.247 0.000 1.150 269 S HN 0.705 nan 8.310 nan 0.000 0.521 270 A N 0.374 123.253 122.820 0.098 0.000 2.549 270 A HA 0.742 5.062 4.320 0.001 0.000 0.297 270 A C -1.322 176.020 177.584 -0.404 0.000 1.061 270 A CA -0.737 51.120 52.037 -0.300 0.000 0.690 270 A CB 1.532 20.079 19.000 -0.754 0.000 1.287 270 A HN 1.007 nan 8.150 nan 0.000 0.402 271 V N 1.303 120.812 119.914 -0.674 0.000 2.513 271 V HA 0.711 4.831 4.120 0.001 0.000 0.299 271 V C -1.186 174.480 176.094 -0.713 0.000 1.035 271 V CA -0.231 61.797 62.300 -0.454 0.000 0.889 271 V CB 1.003 32.618 31.823 -0.347 0.000 0.988 271 V HN 0.683 nan 8.190 nan 0.000 0.440 272 F N 4.350 124.276 119.950 -0.040 0.000 2.556 272 F HA 0.639 5.166 4.527 0.001 0.000 0.314 272 F C -0.370 175.392 175.800 -0.063 0.000 1.106 272 F CA -0.830 57.146 58.000 -0.039 0.000 0.911 272 F CB 1.861 40.866 39.000 0.008 0.000 1.190 272 F HN 0.137 nan 8.300 nan 0.000 0.448 273 I N 2.695 123.329 120.570 0.108 0.000 2.389 273 I HA 0.233 4.404 4.170 0.001 0.000 0.288 273 I C -0.321 175.810 176.117 0.024 0.000 0.999 273 I CA -0.703 60.617 61.300 0.035 0.000 1.129 273 I CB 1.186 39.195 38.000 0.014 0.000 1.288 273 I HN 0.617 nan 8.210 nan 0.000 0.444 274 D N 5.581 125.964 120.400 -0.028 0.000 2.701 274 D HA -0.197 4.444 4.640 0.001 0.000 0.235 274 D C 1.338 177.626 176.300 -0.020 0.000 1.155 274 D CA 1.697 55.673 54.000 -0.040 0.000 0.649 274 D CB -0.803 39.989 40.800 -0.013 0.000 1.050 274 D HN 1.126 nan 8.370 nan 0.000 0.425 275 G N -0.534 108.251 108.800 -0.025 0.000 2.225 275 G HA2 -0.363 3.598 3.960 0.001 0.000 0.254 275 G HA3 -0.363 3.598 3.960 0.001 0.000 0.254 275 G C 0.179 175.207 174.900 0.213 0.000 0.988 275 G CA 0.435 45.551 45.100 0.027 0.000 0.625 275 G HN 0.590 nan 8.290 nan 0.000 0.527 276 E N 0.364 120.688 120.200 0.208 0.000 2.216 276 E HA 0.581 4.932 4.350 0.001 0.000 0.279 276 E C 0.532 177.271 176.600 0.232 0.000 0.997 276 E CA -1.041 55.482 56.400 0.205 0.000 0.817 276 E CB 0.603 30.358 29.700 0.092 0.000 1.096 276 E HN 0.237 nan 8.360 nan 0.000 0.393 277 R N 2.578 123.186 120.500 0.180 0.000 2.489 277 R HA 0.143 4.483 4.340 0.001 0.000 0.287 277 R C -1.399 174.809 176.300 -0.154 0.000 1.053 277 R CA 0.046 56.066 56.100 -0.132 0.000 1.036 277 R CB 0.549 30.796 30.300 -0.089 0.000 0.966 277 R HN 0.226 nan 8.270 nan 0.000 0.432 278 V N 4.841 124.590 119.914 -0.274 0.000 2.409 278 V HA 0.231 4.352 4.120 0.001 0.000 0.291 278 V C 0.112 176.060 176.094 -0.243 0.000 1.020 278 V CA -0.828 61.352 62.300 -0.199 0.000 0.848 278 V CB 1.488 33.210 31.823 -0.170 0.000 0.990 278 V HN 0.815 nan 8.190 nan 0.000 0.430 279 E N 2.652 122.751 120.200 -0.168 0.000 2.465 279 E HA 0.412 4.762 4.350 0.001 0.000 0.260 279 E C -0.068 176.424 176.600 -0.180 0.000 0.980 279 E CA 0.180 56.488 56.400 -0.152 0.000 0.927 279 E CB 0.827 30.470 29.700 -0.095 0.000 0.934 279 E HN 0.873 nan 8.360 nan 0.000 0.459 280 A N 5.047 127.753 122.820 -0.189 0.000 2.556 280 A HA 0.611 4.932 4.320 0.001 0.000 0.294 280 A C -2.601 174.932 177.584 -0.085 0.000 1.091 280 A CA -1.483 50.428 52.037 -0.210 0.000 0.704 280 A CB 1.238 19.941 19.000 -0.495 0.000 1.300 280 A HN 0.426 nan 8.150 nan 0.000 0.406 281 P HA 0.182 nan 4.420 nan 0.000 0.271 281 P C -0.463 176.853 177.300 0.026 0.000 1.216 281 P CA -0.072 62.903 63.100 -0.209 0.000 0.771 281 P CB 0.412 31.677 31.700 -0.725 0.000 0.864 282 Q N 1.467 121.308 119.800 0.068 0.000 2.283 282 Q HA 0.303 4.644 4.340 0.001 0.000 0.301 282 Q C 0.682 176.819 176.000 0.229 0.000 1.063 282 Q CA 1.345 57.237 55.803 0.148 0.000 0.952 282 Q CB -0.166 28.640 28.738 0.113 0.000 1.166 282 Q HN 0.781 nan 8.270 nan 0.000 0.381 283 G N 3.353 112.229 108.800 0.126 0.000 2.217 283 G HA2 -0.123 3.837 3.960 0.001 0.000 0.173 283 G HA3 -0.123 3.837 3.960 0.001 0.000 0.173 283 G C -1.304 173.471 174.900 -0.208 0.000 1.324 283 G CA -0.598 44.500 45.100 -0.003 0.000 1.225 283 G HN 0.651 nan 8.290 nan 0.000 0.494 284 N N 0.204 118.672 118.700 -0.387 0.000 2.265 284 N HA 0.676 5.416 4.740 0.001 0.000 0.300 284 N C -1.466 173.678 175.510 -0.609 0.000 1.148 284 N CA -0.411 52.368 53.050 -0.452 0.000 0.772 284 N CB 1.854 40.222 38.487 -0.199 0.000 1.434 284 N HN 0.624 nan 8.380 nan 0.000 0.481 285 H N -1.201 117.889 119.070 0.033 0.000 2.821 285 H HA 0.563 5.119 4.556 0.000 0.000 0.373 285 H C 0.541 175.855 175.328 -0.023 0.000 1.165 285 H CA -0.822 55.234 56.048 0.015 0.000 1.154 285 H CB 1.764 31.539 29.762 0.022 0.000 1.765 285 H HN 0.620 nan 8.280 nan 0.000 0.549 286 G N 0.111 108.933 108.800 0.037 0.000 3.075 286 G HA2 0.246 4.206 3.960 0.001 0.000 0.156 286 G HA3 0.246 4.206 3.960 0.001 0.000 0.156 286 G C -0.404 174.306 174.900 -0.316 0.000 1.403 286 G CA -1.028 44.006 45.100 -0.110 0.000 1.033 286 G HN 0.713 nan 8.290 nan 0.000 0.589 287 R N -1.079 119.036 120.500 -0.642 0.000 2.679 287 R HA 0.487 4.827 4.340 0.001 0.000 0.269 287 R C -1.168 174.700 176.300 -0.721 0.000 1.076 287 R CA -0.419 54.904 56.100 -1.296 0.000 1.160 287 R CB 0.911 30.266 30.300 -1.576 0.000 1.054 287 R HN 0.131 nan 8.270 nan 0.000 0.507 288 V N 2.657 122.138 119.914 -0.722 0.000 2.459 288 V HA 0.390 4.510 4.120 0.001 0.000 0.295 288 V C 0.216 176.256 176.094 -0.091 0.000 1.029 288 V CA -0.660 61.515 62.300 -0.208 0.000 0.874 288 V CB 1.352 33.190 31.823 0.024 0.000 0.985 288 V HN 0.731 nan 8.190 nan 0.000 0.438 289 V N 3.244 123.144 119.914 -0.023 0.000 3.126 289 V HA 0.762 4.882 4.120 0.001 0.000 0.314 289 V C -0.994 175.169 176.094 0.115 0.000 1.138 289 V CA -1.161 61.182 62.300 0.073 0.000 1.034 289 V CB 2.153 34.031 31.823 0.092 0.000 1.075 289 V HN 0.601 nan 8.190 nan 0.000 0.442 290 L N 2.727 124.041 121.223 0.152 0.000 2.265 290 L HA 0.675 5.015 4.340 0.001 0.000 0.289 290 L C -1.250 175.807 176.870 0.311 0.000 1.033 290 L CA -0.071 54.868 54.840 0.164 0.000 0.814 290 L CB 1.040 43.138 42.059 0.066 0.000 1.203 290 L HN 0.927 nan 8.230 nan 0.000 0.423 291 W N 6.645 127.994 121.300 0.081 0.000 2.554 291 W HA 0.502 5.162 4.660 0.000 0.000 0.324 291 W C 0.233 176.797 176.519 0.075 0.000 1.018 291 W CA -0.942 56.464 57.345 0.101 0.000 1.243 291 W CB 0.735 30.242 29.460 0.079 0.000 1.345 291 W HN 0.618 nan 8.180 nan 0.000 0.441 292 R N 4.584 124.875 120.500 -0.348 0.000 3.422 292 R HA -0.184 4.156 4.340 0.001 0.000 0.267 292 R C 1.180 177.356 176.300 -0.207 0.000 1.074 292 R CA 1.278 57.114 56.100 -0.440 0.000 0.718 292 R CB -1.544 28.214 30.300 -0.903 0.000 1.157 292 R HN 1.434 nan 8.270 nan 0.000 0.440 293 G N -0.212 108.542 108.800 -0.076 0.000 2.189 293 G HA2 -0.415 3.545 3.960 0.001 0.000 0.267 293 G HA3 -0.415 3.545 3.960 0.001 0.000 0.267 293 G C 0.047 174.939 174.900 -0.013 0.000 0.975 293 G CA 1.207 46.285 45.100 -0.037 0.000 0.644 293 G HN 0.619 nan 8.290 nan 0.000 0.537 294 K N -0.500 119.908 120.400 0.014 0.000 2.400 294 K HA 0.825 5.145 4.320 0.001 0.000 0.246 294 K C -0.146 176.513 176.600 0.098 0.000 0.995 294 K CA -1.371 54.944 56.287 0.045 0.000 0.840 294 K CB 1.716 34.240 32.500 0.041 0.000 1.293 294 K HN 0.099 nan 8.250 nan 0.000 0.445 295 L N 1.678 122.940 121.223 0.064 0.000 2.349 295 L HA 0.411 4.751 4.340 0.001 0.000 0.275 295 L C -0.621 176.283 176.870 0.058 0.000 1.115 295 L CA -0.977 53.896 54.840 0.056 0.000 0.820 295 L CB 1.378 43.443 42.059 0.009 0.000 1.135 295 L HN 0.375 nan 8.230 nan 0.000 0.445 296 V N 1.878 121.820 119.914 0.045 0.000 2.760 296 V HA 0.605 4.725 4.120 0.001 0.000 0.309 296 V C -0.176 175.879 176.094 -0.064 0.000 1.077 296 V CA -0.414 61.883 62.300 -0.006 0.000 0.910 296 V CB 2.236 34.055 31.823 -0.006 0.000 1.008 296 V HN 0.860 nan 8.190 nan 0.000 0.424 297 T N 1.671 116.176 114.554 -0.082 0.000 2.812 297 T HA 0.626 4.976 4.350 0.001 0.000 0.294 297 T C -0.443 174.223 174.700 -0.057 0.000 1.159 297 T CA 0.057 62.103 62.100 -0.090 0.000 1.008 297 T CB 2.000 70.826 68.868 -0.071 0.000 1.289 297 T HN 1.027 nan 8.240 nan 0.000 0.514 298 S N 1.159 116.838 115.700 -0.035 0.000 2.654 298 S HA 0.586 5.057 4.470 0.001 0.000 0.283 298 S C -0.776 173.900 174.600 0.126 0.000 1.180 298 S CA -0.538 57.664 58.200 0.004 0.000 1.021 298 S CB 1.008 64.184 63.200 -0.040 0.000 1.018 298 S HN 0.866 nan 8.310 nan 0.000 0.532 299 H N 0.165 119.233 119.070 -0.003 0.000 2.806 299 H HA 0.583 5.139 4.556 0.000 0.000 0.367 299 H C -1.519 173.772 175.328 -0.062 0.000 1.136 299 H CA -0.312 55.732 56.048 -0.006 0.000 1.178 299 H CB 2.163 31.957 29.762 0.052 0.000 1.718 299 H HN 0.807 nan 8.280 nan 0.000 0.540 300 T N 2.089 116.115 114.554 -0.879 0.000 2.843 300 T HA 0.548 4.898 4.350 0.001 0.000 0.302 300 T C -1.498 172.842 174.700 -0.600 0.000 1.232 300 T CA -0.125 61.594 62.100 -0.636 0.000 1.009 300 T CB 1.310 70.031 68.868 -0.245 0.000 1.254 300 T HN 0.852 nan 8.240 nan 0.000 0.504 301 S N 1.901 117.441 115.700 -0.265 0.000 2.611 301 S HA 0.431 4.901 4.470 0.001 0.000 0.268 301 S C 0.685 175.321 174.600 0.059 0.000 1.156 301 S CA -0.881 57.263 58.200 -0.094 0.000 0.817 301 S CB 0.549 63.743 63.200 -0.011 0.000 1.122 301 S HN 0.631 nan 8.310 nan 0.000 0.466 302 L N 1.600 122.842 121.223 0.031 0.000 2.261 302 L HA -0.055 4.286 4.340 0.001 0.000 0.216 302 L C 2.497 179.480 176.870 0.190 0.000 1.114 302 L CA 1.692 56.555 54.840 0.037 0.000 0.777 302 L CB -0.410 41.636 42.059 -0.021 0.000 0.910 302 L HN 0.935 nan 8.230 nan 0.000 0.440 303 S N -3.799 112.045 115.700 0.240 0.000 2.512 303 S HA 0.078 4.549 4.470 0.001 0.000 0.216 303 S C 0.769 175.539 174.600 0.284 0.000 1.006 303 S CA -0.351 58.038 58.200 0.315 0.000 0.915 303 S CB 0.308 63.615 63.200 0.180 0.000 0.824 303 S HN 0.150 nan 8.310 nan 0.000 0.497 304 T N 4.826 119.490 114.554 0.183 0.000 2.842 304 T HA 0.489 4.840 4.350 0.001 0.000 0.308 304 T C -2.986 171.557 174.700 -0.262 0.000 1.041 304 T CA -1.471 60.590 62.100 -0.065 0.000 0.964 304 T CB 1.487 70.346 68.868 -0.016 0.000 0.972 304 T HN 0.085 nan 8.240 nan 0.000 0.460 305 P HA 0.103 nan 4.420 nan 0.000 0.266 305 P C -2.531 174.489 177.300 -0.466 0.000 1.193 305 P CA -1.067 61.405 63.100 -1.046 0.000 0.770 305 P CB -0.398 30.594 31.700 -1.180 0.000 0.836 306 P HA 0.001 nan 4.420 nan 0.000 0.262 306 P C -0.213 177.037 177.300 -0.083 0.000 1.182 306 P CA 0.747 63.743 63.100 -0.174 0.000 0.761 306 P CB 0.278 31.908 31.700 -0.117 0.000 0.795 307 R N 2.348 122.837 120.500 -0.018 0.000 2.817 307 R HA 0.684 5.025 4.340 0.001 0.000 0.268 307 R C -1.168 175.129 176.300 -0.005 0.000 1.027 307 R CA -1.046 55.084 56.100 0.051 0.000 0.928 307 R CB 1.060 31.374 30.300 0.022 0.000 1.228 307 R HN 0.076 nan 8.270 nan 0.000 0.469 308 I N 2.671 123.170 120.570 -0.119 0.000 2.339 308 I HA 0.329 4.499 4.170 0.001 0.000 0.290 308 I C 0.314 176.328 176.117 -0.172 0.000 0.994 308 I CA -0.823 60.365 61.300 -0.187 0.000 1.191 308 I CB 1.063 38.851 38.000 -0.354 0.000 1.343 308 I HN 0.598 nan 8.210 nan 0.000 0.458 309 V N 3.321 123.176 119.914 -0.099 0.000 2.864 309 V HA 0.870 4.990 4.120 0.001 0.000 0.314 309 V C 0.038 176.088 176.094 -0.073 0.000 1.073 309 V CA -0.665 61.586 62.300 -0.082 0.000 0.956 309 V CB 1.849 33.639 31.823 -0.055 0.000 1.023 309 V HN 0.801 nan 8.190 nan 0.000 0.435 310 S N 3.764 119.434 115.700 -0.050 0.000 2.608 310 S HA 0.831 5.301 4.470 0.001 0.000 0.291 310 S C -0.667 173.914 174.600 -0.033 0.000 1.146 310 S CA -0.793 57.400 58.200 -0.011 0.000 1.043 310 S CB 1.224 64.456 63.200 0.053 0.000 1.037 310 S HN 0.874 nan 8.310 nan 0.000 0.520 311 L N 2.220 123.424 121.223 -0.032 0.000 2.333 311 L HA 0.533 4.873 4.340 0.001 0.000 0.269 311 L C -1.632 175.214 176.870 -0.039 0.000 1.010 311 L CA -2.281 52.523 54.840 -0.061 0.000 0.818 311 L CB 2.286 44.288 42.059 -0.095 0.000 1.306 311 L HN 0.562 nan 8.230 nan 0.000 0.430 312 P HA -0.012 nan 4.420 nan 0.000 0.249 312 P C 1.086 178.349 177.300 -0.062 0.000 1.229 312 P CA 0.324 63.383 63.100 -0.068 0.000 0.788 312 P CB 0.415 32.078 31.700 -0.060 0.000 1.072 313 S N -0.301 115.371 115.700 -0.046 0.000 2.406 313 S HA 0.082 4.552 4.470 0.001 0.000 0.228 313 S C 1.843 176.409 174.600 -0.056 0.000 1.020 313 S CA 1.007 59.182 58.200 -0.041 0.000 0.965 313 S CB -1.589 61.596 63.200 -0.025 0.000 0.798 313 S HN 0.278 nan 8.310 nan 0.000 0.488 314 G N 0.993 109.752 108.800 -0.070 0.000 2.153 314 G HA2 -0.254 3.707 3.960 0.001 0.000 0.252 314 G HA3 -0.254 3.707 3.960 0.001 0.000 0.252 314 G C -0.291 174.562 174.900 -0.078 0.000 0.994 314 G CA 0.284 45.327 45.100 -0.095 0.000 0.698 314 G HN 0.649 nan 8.290 nan 0.000 0.521 315 E N 1.593 121.762 120.200 -0.051 0.000 2.289 315 E HA 0.333 4.684 4.350 0.001 0.000 0.278 315 E C -2.050 174.519 176.600 -0.052 0.000 1.032 315 E CA -1.599 54.776 56.400 -0.041 0.000 0.854 315 E CB 1.238 30.925 29.700 -0.021 0.000 1.046 315 E HN 0.239 nan 8.360 nan 0.000 0.409 316 P HA 0.033 nan 4.420 nan 0.000 0.280 316 P C 0.013 177.238 177.300 -0.124 0.000 1.244 316 P CA 0.084 63.129 63.100 -0.091 0.000 0.784 316 P CB 1.117 32.772 31.700 -0.075 0.000 0.913 317 L N 2.075 123.163 121.223 -0.225 0.000 2.145 317 L HA 0.177 4.517 4.340 0.001 0.000 0.201 317 L C 0.956 177.547 176.870 -0.464 0.000 1.075 317 L CA 0.900 55.528 54.840 -0.353 0.000 0.773 317 L CB -0.164 41.519 42.059 -0.627 0.000 0.936 317 L HN 0.274 nan 8.230 nan 0.000 0.451 318 L N 0.474 121.368 121.223 -0.549 0.000 2.381 318 L HA 0.417 4.758 4.340 0.001 0.000 0.274 318 L C -0.854 175.792 176.870 -0.373 0.000 0.988 318 L CA -0.361 54.096 54.840 -0.637 0.000 0.824 318 L CB 1.911 43.219 42.059 -1.251 0.000 1.263 318 L HN 0.147 nan 8.230 nan 0.000 0.410 319 E N 2.028 122.144 120.200 -0.140 0.000 2.392 319 E HA 0.645 4.996 4.350 0.001 0.000 0.279 319 E C -0.993 175.657 176.600 0.084 0.000 0.964 319 E CA -1.011 55.411 56.400 0.037 0.000 0.777 319 E CB 1.964 31.646 29.700 -0.030 0.000 1.249 319 E HN 0.498 nan 8.360 nan 0.000 0.449 320 G N 0.406 109.227 108.800 0.036 0.000 2.425 320 G HA2 0.571 4.531 3.960 0.001 0.000 0.302 320 G HA3 0.571 4.531 3.960 0.001 0.000 0.302 320 G C -0.131 174.708 174.900 -0.101 0.000 1.159 320 G CA -0.367 44.701 45.100 -0.053 0.000 0.865 320 G HN 0.560 nan 8.290 nan 0.000 0.515 321 G N -0.606 108.142 108.800 -0.086 0.000 2.410 321 G HA2 0.574 4.534 3.960 0.001 0.000 0.330 321 G HA3 0.574 4.534 3.960 0.001 0.000 0.330 321 G C -0.646 174.196 174.900 -0.096 0.000 1.142 321 G CA -0.667 44.384 45.100 -0.082 0.000 0.902 321 G HN 0.575 nan 8.290 nan 0.000 0.491 322 L N 1.761 122.934 121.223 -0.083 0.000 2.334 322 L HA 0.449 4.789 4.340 0.001 0.000 0.273 322 L C -1.928 174.931 176.870 -0.019 0.000 1.013 322 L CA -1.897 52.911 54.840 -0.053 0.000 0.816 322 L CB 2.589 44.621 42.059 -0.045 0.000 1.278 322 L HN 0.359 nan 8.230 nan 0.000 0.431 323 P HA 0.142 nan 4.420 nan 0.000 0.276 323 P C 0.152 177.462 177.300 0.017 0.000 1.252 323 P CA -0.484 62.619 63.100 0.006 0.000 0.802 323 P CB 0.978 32.683 31.700 0.008 0.000 1.035 324 E N 1.299 121.509 120.200 0.016 0.000 2.070 324 E HA -0.260 4.091 4.350 0.001 0.000 0.197 324 E C 1.393 178.010 176.600 0.028 0.000 1.004 324 E CA 2.095 58.508 56.400 0.022 0.000 0.805 324 E CB -0.708 29.002 29.700 0.018 0.000 0.744 324 E HN 0.578 nan 8.360 nan 0.000 0.451 325 D N 0.156 120.571 120.400 0.026 0.000 2.123 325 D HA -0.232 4.409 4.640 0.001 0.000 0.196 325 D C 2.151 178.474 176.300 0.038 0.000 0.992 325 D CA 1.214 55.231 54.000 0.028 0.000 0.833 325 D CB -0.584 40.230 40.800 0.023 0.000 0.954 325 D HN 0.352 nan 8.370 nan 0.000 0.455 326 L N -0.057 121.193 121.223 0.045 0.000 2.109 326 L HA -0.022 4.318 4.340 0.001 0.000 0.207 326 L C 3.064 179.983 176.870 0.082 0.000 1.086 326 L CA 0.710 55.589 54.840 0.065 0.000 0.760 326 L CB -0.192 41.911 42.059 0.075 0.000 0.910 326 L HN -0.082 nan 8.230 nan 0.000 0.437 327 R N -0.257 120.286 120.500 0.071 0.000 2.081 327 R HA -0.110 4.230 4.340 0.001 0.000 0.235 327 R C 2.253 178.598 176.300 0.074 0.000 1.131 327 R CA 1.079 57.227 56.100 0.080 0.000 0.960 327 R CB -0.238 30.097 30.300 0.058 0.000 0.856 327 R HN 0.320 nan 8.270 nan 0.000 0.436 328 R N 0.575 121.109 120.500 0.057 0.000 2.237 328 R HA -0.044 4.296 4.340 0.001 0.000 0.219 328 R C 2.217 178.551 176.300 0.056 0.000 1.080 328 R CA 1.313 57.444 56.100 0.053 0.000 0.995 328 R CB -0.175 30.149 30.300 0.040 0.000 0.875 328 R HN 0.288 nan 8.270 nan 0.000 0.462 329 S N 0.597 116.333 115.700 0.060 0.000 2.447 329 S HA -0.024 4.446 4.470 0.001 0.000 0.233 329 S C 1.075 175.716 174.600 0.068 0.000 1.006 329 S CA 0.480 58.713 58.200 0.056 0.000 0.957 329 S CB -0.132 63.099 63.200 0.053 0.000 0.773 329 S HN 0.154 nan 8.310 nan 0.000 0.507 330 I N 1.922 122.541 120.570 0.081 0.000 2.291 330 I HA 0.350 4.521 4.170 0.001 0.000 0.290 330 I C 1.298 177.469 176.117 0.090 0.000 1.050 330 I CA -0.424 60.930 61.300 0.090 0.000 1.245 330 I CB 1.246 39.304 38.000 0.097 0.000 1.405 330 I HN 0.224 nan 8.210 nan 0.000 0.478 331 A N 5.141 128.019 122.820 0.098 0.000 1.968 331 A HA 0.393 4.713 4.320 0.001 0.000 0.217 331 A C 1.132 178.767 177.584 0.085 0.000 1.169 331 A CA 1.240 53.331 52.037 0.089 0.000 0.638 331 A CB -0.130 18.930 19.000 0.100 0.000 0.812 331 A HN 0.813 nan 8.150 nan 0.000 0.446 332 G N -2.435 106.422 108.800 0.094 0.000 2.322 332 G HA2 0.513 4.473 3.960 0.001 0.000 0.295 332 G HA3 0.513 4.473 3.960 0.001 0.000 0.295 332 G C -0.927 174.034 174.900 0.102 0.000 1.369 332 G CA 0.222 45.376 45.100 0.091 0.000 0.821 332 G HN 1.254 nan 8.290 nan 0.000 0.536 333 S N -1.044 114.719 115.700 0.105 0.000 2.536 333 S HA 0.900 5.371 4.470 0.001 0.000 0.271 333 S C -0.607 174.060 174.600 0.112 0.000 1.134 333 S CA -0.544 57.734 58.200 0.129 0.000 0.897 333 S CB 2.417 65.712 63.200 0.158 0.000 1.094 333 S HN 1.555 nan 8.310 nan 0.000 0.473 334 R N 0.612 121.159 120.500 0.078 0.000 2.752 334 R HA 0.764 5.104 4.340 0.001 0.000 0.271 334 R C -2.087 174.050 176.300 -0.271 0.000 1.026 334 R CA -1.184 54.894 56.100 -0.036 0.000 0.901 334 R CB 0.834 31.124 30.300 -0.017 0.000 1.243 334 R HN 0.549 nan 8.270 nan 0.000 0.463 335 L N 2.079 123.041 121.223 -0.434 0.000 2.280 335 L HA 0.508 4.848 4.340 0.001 0.000 0.287 335 L C -0.743 175.800 176.870 -0.545 0.000 1.023 335 L CA -0.540 53.841 54.840 -0.766 0.000 0.819 335 L CB 1.630 43.186 42.059 -0.838 0.000 1.212 335 L HN 0.612 nan 8.230 nan 0.000 0.420 336 V N 1.671 121.203 119.914 -0.636 0.000 2.881 336 V HA 0.679 4.799 4.120 0.001 0.000 0.316 336 V C -1.226 174.463 176.094 -0.675 0.000 1.070 336 V CA -0.807 61.164 62.300 -0.548 0.000 0.976 336 V CB 1.694 33.080 31.823 -0.729 0.000 1.038 336 V HN 0.790 nan 8.190 nan 0.000 0.446 337 W N 1.807 122.882 121.300 -0.375 0.000 2.296 337 W HA 0.701 5.362 4.660 0.001 0.000 0.316 337 W C -0.601 175.743 176.519 -0.293 0.000 1.022 337 W CA -0.622 56.536 57.345 -0.311 0.000 1.324 337 W CB 1.826 31.149 29.460 -0.228 0.000 1.227 337 W HN 0.500 nan 8.180 nan 0.000 0.409 338 V N 3.176 123.018 119.914 -0.119 0.000 2.383 338 V HA 0.109 4.230 4.120 0.001 0.000 0.275 338 V C 0.440 176.563 176.094 0.050 0.000 1.036 338 V CA -0.997 61.257 62.300 -0.077 0.000 0.889 338 V CB 1.153 32.918 31.823 -0.096 0.000 0.985 338 V HN 0.436 nan 8.190 nan 0.000 0.459 339 E N 3.065 123.313 120.200 0.079 0.000 2.351 339 E HA 0.165 4.515 4.350 0.001 0.000 0.266 339 E C 0.170 176.844 176.600 0.124 0.000 1.031 339 E CA 0.038 56.488 56.400 0.083 0.000 0.911 339 E CB 0.689 30.433 29.700 0.073 0.000 0.986 339 E HN 0.736 nan 8.360 nan 0.000 0.446 340 S N 2.782 118.562 115.700 0.134 0.000 2.690 340 S HA 0.179 4.649 4.470 0.001 0.000 0.285 340 S C 0.939 175.641 174.600 0.171 0.000 1.135 340 S CA -0.540 57.787 58.200 0.212 0.000 1.020 340 S CB 0.272 63.654 63.200 0.305 0.000 1.159 340 S HN 0.571 nan 8.310 nan 0.000 0.534 341 F N 1.174 121.191 119.950 0.111 0.000 2.202 341 F HA 0.010 4.538 4.527 0.000 0.000 0.301 341 F C 1.331 177.179 175.800 0.079 0.000 1.082 341 F CA 1.472 59.522 58.000 0.084 0.000 1.313 341 F CB -0.353 38.691 39.000 0.074 0.000 1.024 341 F HN 0.494 nan 8.300 nan 0.000 0.495 342 D N -0.922 119.001 120.400 -0.795 0.000 2.463 342 D HA 0.237 4.877 4.640 0.001 0.000 0.224 342 D C 1.691 177.837 176.300 -0.257 0.000 1.174 342 D CA 0.177 53.815 54.000 -0.604 0.000 0.829 342 D CB 0.005 40.260 40.800 -0.908 0.000 0.993 342 D HN 0.493 nan 8.370 nan 0.000 0.497 343 G N 0.121 108.836 108.800 -0.143 0.000 2.179 343 G HA2 -0.299 3.662 3.960 0.001 0.000 0.260 343 G HA3 -0.299 3.662 3.960 0.001 0.000 0.260 343 G C 0.374 175.244 174.900 -0.049 0.000 0.977 343 G CA 0.297 45.358 45.100 -0.065 0.000 0.641 343 G HN 0.425 nan 8.290 nan 0.000 0.533 344 S N 0.723 116.399 115.700 -0.040 0.000 2.549 344 S HA 0.438 4.909 4.470 0.001 0.000 0.283 344 S C 0.719 175.312 174.600 -0.013 0.000 1.320 344 S CA -0.205 58.001 58.200 0.010 0.000 1.058 344 S CB 0.929 64.263 63.200 0.223 0.000 0.882 344 S HN 0.464 nan 8.310 nan 0.000 0.498 345 R N 1.862 122.304 120.500 -0.097 0.000 2.202 345 R HA 0.311 4.651 4.340 0.001 0.000 0.334 345 R C -1.056 175.190 176.300 -0.089 0.000 1.036 345 R CA -0.359 55.723 56.100 -0.031 0.000 0.878 345 R CB 0.676 30.957 30.300 -0.032 0.000 1.067 345 R HN 0.351 nan 8.270 nan 0.000 0.457 346 V N 6.520 126.417 119.914 -0.028 0.000 2.348 346 V HA 0.194 4.314 4.120 0.001 0.000 0.270 346 V C -1.894 174.027 176.094 -0.288 0.000 1.037 346 V CA -2.078 60.160 62.300 -0.102 0.000 0.872 346 V CB 1.113 33.008 31.823 0.120 0.000 1.002 346 V HN 0.642 nan 8.190 nan 0.000 0.464 347 P HA 0.231 nan 4.420 nan 0.000 0.271 347 P C -0.367 176.568 177.300 -0.608 0.000 1.233 347 P CA 0.122 62.583 63.100 -1.066 0.000 0.764 347 P CB 0.519 31.274 31.700 -1.574 0.000 0.825 348 T N 3.919 118.115 114.554 -0.597 0.000 2.881 348 T HA 0.307 4.657 4.350 0.001 0.000 0.291 348 T C -0.703 173.775 174.700 -0.371 0.000 0.990 348 T CA -0.195 61.705 62.100 -0.334 0.000 0.976 348 T CB 0.353 69.027 68.868 -0.322 0.000 0.970 348 T HN 0.128 nan 8.240 nan 0.000 0.438 349 Y N 1.924 122.124 120.300 -0.167 0.000 2.316 349 Y HA 0.484 5.034 4.550 0.001 0.000 0.331 349 Y C 0.196 176.070 175.900 -0.043 0.000 1.083 349 Y CA -0.367 57.668 58.100 -0.108 0.000 1.206 349 Y CB 0.996 39.421 38.460 -0.058 0.000 1.195 349 Y HN 0.320 nan 8.280 nan 0.000 0.497 350 V N 6.012 125.983 119.914 0.095 0.000 2.444 350 V HA 0.247 4.368 4.120 0.001 0.000 0.294 350 V C -0.886 175.301 176.094 0.156 0.000 1.022 350 V CA -0.874 61.509 62.300 0.138 0.000 0.850 350 V CB 1.566 33.478 31.823 0.148 0.000 0.992 350 V HN 0.428 nan 8.190 nan 0.000 0.426 351 L N 4.855 126.175 121.223 0.163 0.000 2.257 351 L HA 0.515 4.856 4.340 0.001 0.000 0.290 351 L C 0.166 177.152 176.870 0.193 0.000 1.044 351 L CA 0.084 55.012 54.840 0.147 0.000 0.810 351 L CB 1.135 43.258 42.059 0.107 0.000 1.193 351 L HN 0.647 nan 8.230 nan 0.000 0.425 352 E N 2.235 122.542 120.200 0.178 0.000 2.194 352 E HA 0.232 4.582 4.350 0.001 0.000 0.284 352 E C -0.377 176.403 176.600 0.300 0.000 1.035 352 E CA -0.088 56.468 56.400 0.259 0.000 0.836 352 E CB 0.986 30.752 29.700 0.110 0.000 1.070 352 E HN 0.570 nan 8.360 nan 0.000 0.401 353 S N 2.302 118.250 115.700 0.413 0.000 2.549 353 S HA 0.174 4.644 4.470 0.001 0.000 0.279 353 S C 1.317 175.995 174.600 0.131 0.000 1.321 353 S CA -0.170 58.119 58.200 0.149 0.000 1.054 353 S CB 0.873 64.056 63.200 -0.029 0.000 0.899 353 S HN 0.696 nan 8.310 nan 0.000 0.497 354 G N 3.813 112.664 108.800 0.084 0.000 2.679 354 G HA2 -0.032 3.928 3.960 0.001 0.000 0.212 354 G HA3 -0.032 3.928 3.960 0.001 0.000 0.212 354 G C 1.062 175.976 174.900 0.024 0.000 1.137 354 G CA -0.028 45.110 45.100 0.063 0.000 0.787 354 G HN 0.766 nan 8.290 nan 0.000 0.534 355 R N -0.187 120.305 120.500 -0.012 0.000 2.507 355 R HA 0.508 4.849 4.340 0.001 0.000 0.298 355 R C 0.124 176.355 176.300 -0.115 0.000 0.999 355 R CA -0.010 56.059 56.100 -0.052 0.000 1.082 355 R CB 0.853 31.122 30.300 -0.051 0.000 1.246 355 R HN 0.224 nan 8.270 nan 0.000 0.553 356 A N 1.728 124.468 122.820 -0.133 0.000 2.401 356 A HA 0.646 4.966 4.320 0.001 0.000 0.310 356 A C -2.490 175.069 177.584 -0.042 0.000 1.075 356 A CA -1.661 50.250 52.037 -0.211 0.000 0.746 356 A CB 1.231 19.888 19.000 -0.572 0.000 1.277 356 A HN -0.083 nan 8.150 nan 0.000 0.425 357 P HA 0.502 nan 4.420 nan 0.000 0.279 357 P C -0.613 176.791 177.300 0.174 0.000 1.282 357 P CA -0.060 63.075 63.100 0.058 0.000 0.788 357 P CB 0.720 32.428 31.700 0.013 0.000 1.139 358 T N 1.068 115.693 114.554 0.117 0.000 2.890 358 T HA 0.389 4.739 4.350 0.001 0.000 0.295 358 T C -2.292 172.423 174.700 0.025 0.000 0.993 358 T CA -0.879 61.273 62.100 0.087 0.000 0.979 358 T CB 0.717 69.602 68.868 0.028 0.000 0.967 358 T HN 0.402 nan 8.240 nan 0.000 0.441 359 P HA 0.555 nan 4.420 nan 0.000 0.269 359 P C -0.006 177.341 177.300 0.078 0.000 1.215 359 P CA -0.141 62.976 63.100 0.029 0.000 0.780 359 P CB 0.900 32.595 31.700 -0.007 0.000 0.898 360 G N 0.767 109.658 108.800 0.153 0.000 2.749 360 G HA2 0.543 4.504 3.960 0.001 0.000 0.300 360 G HA3 0.543 4.504 3.960 0.001 0.000 0.300 360 G C -3.302 171.667 174.900 0.115 0.000 1.352 360 G CA -1.273 43.886 45.100 0.099 0.000 0.789 360 G HN 0.232 nan 8.290 nan 0.000 0.509 361 P HA 0.344 nan 4.420 nan 0.000 0.267 361 P C -0.576 176.914 177.300 0.316 0.000 1.205 361 P CA 0.386 63.576 63.100 0.151 0.000 0.765 361 P CB 1.093 32.741 31.700 -0.087 0.000 0.828 362 T N 2.339 117.162 114.554 0.448 0.000 2.886 362 T HA 0.409 4.759 4.350 0.001 0.000 0.292 362 T C -0.605 174.356 174.700 0.436 0.000 1.012 362 T CA -0.472 61.885 62.100 0.428 0.000 0.982 362 T CB 1.196 70.259 68.868 0.324 0.000 1.018 362 T HN -0.061 nan 8.240 nan 0.000 0.451 363 V N 3.148 123.261 119.914 0.332 0.000 2.384 363 V HA 0.354 4.474 4.120 0.001 0.000 0.287 363 V C 0.043 176.245 176.094 0.181 0.000 1.020 363 V CA -0.833 61.588 62.300 0.201 0.000 0.850 363 V CB 1.706 33.520 31.823 -0.015 0.000 0.987 363 V HN 0.755 nan 8.190 nan 0.000 0.436 364 V N 6.564 126.583 119.914 0.175 0.000 2.387 364 V HA 0.201 4.322 4.120 0.001 0.000 0.260 364 V C -0.011 176.124 176.094 0.068 0.000 1.054 364 V CA -0.135 62.266 62.300 0.169 0.000 0.967 364 V CB 1.023 33.002 31.823 0.260 0.000 1.036 364 V HN 0.641 nan 8.190 nan 0.000 0.481 365 L N 7.920 129.205 121.223 0.103 0.000 2.259 365 L HA 0.478 4.819 4.340 0.001 0.000 0.288 365 L C -0.151 176.808 176.870 0.147 0.000 1.051 365 L CA 0.336 55.231 54.840 0.092 0.000 0.824 365 L CB 1.227 43.345 42.059 0.099 0.000 1.206 365 L HN 0.405 nan 8.230 nan 0.000 0.429 366 V N 5.280 125.275 119.914 0.135 0.000 2.406 366 V HA 0.246 4.366 4.120 0.001 0.000 0.272 366 V C 0.111 176.361 176.094 0.261 0.000 1.043 366 V CA -0.676 61.734 62.300 0.184 0.000 0.915 366 V CB 0.509 32.391 31.823 0.098 0.000 0.988 366 V HN 0.935 nan 8.190 nan 0.000 0.466 367 H N 2.919 122.200 119.070 0.350 0.000 2.679 367 H HA 0.618 5.174 4.556 0.000 0.000 0.369 367 H C 0.568 176.144 175.328 0.414 0.000 1.178 367 H CA 0.210 56.435 56.048 0.295 0.000 1.419 367 H CB 0.605 30.469 29.762 0.170 0.000 1.458 367 H HN 0.652 nan 8.280 nan 0.000 0.605 368 G N -0.680 108.472 108.800 0.585 0.000 2.509 368 G HA2 0.518 4.478 3.960 0.001 0.000 0.269 368 G HA3 0.518 4.478 3.960 0.001 0.000 0.269 368 G C 0.430 175.669 174.900 0.564 0.000 1.416 368 G CA -0.459 44.972 45.100 0.552 0.000 1.052 368 G HN 1.295 nan 8.290 nan 0.000 0.542 369 G N -0.818 108.205 108.800 0.371 0.000 2.222 369 G HA2 -0.115 3.846 3.960 0.001 0.000 0.218 369 G HA3 -0.115 3.846 3.960 0.001 0.000 0.218 369 G C -1.462 173.443 174.900 0.008 0.000 1.450 369 G CA 0.553 45.765 45.100 0.185 0.000 1.361 369 G HN 0.749 nan 8.290 nan 0.000 0.474 370 P HA 0.258 nan 4.420 nan 0.000 0.245 370 P C 0.360 177.752 177.300 0.153 0.000 1.206 370 P CA 0.210 63.233 63.100 -0.130 0.000 0.781 370 P CB -0.128 31.242 31.700 -0.549 0.000 0.994 371 F N 1.468 121.510 119.950 0.153 0.000 2.679 371 F HA 0.436 4.963 4.527 0.000 0.000 0.351 371 F C 1.105 176.950 175.800 0.076 0.000 1.279 371 F CA -0.681 57.402 58.000 0.139 0.000 1.227 371 F CB -0.064 39.048 39.000 0.187 0.000 1.623 371 F HN 0.012 nan 8.300 nan 0.000 0.666 372 A N 2.599 125.529 122.820 0.183 0.000 2.581 372 A HA 0.741 5.062 4.320 0.001 0.000 0.290 372 A C -1.207 176.135 177.584 -0.403 0.000 1.119 372 A CA -0.819 51.188 52.037 -0.050 0.000 0.670 372 A CB 2.032 21.028 19.000 -0.008 0.000 1.280 372 A HN 0.514 nan 8.150 nan 0.000 0.425 373 E N 0.567 120.516 120.200 -0.417 0.000 2.390 373 E HA 0.463 4.814 4.350 0.001 0.000 0.277 373 E C -1.863 174.555 176.600 -0.303 0.000 0.939 373 E CA -0.798 55.336 56.400 -0.442 0.000 0.769 373 E CB 1.803 31.468 29.700 -0.059 0.000 1.251 373 E HN 0.400 nan 8.360 nan 0.000 0.450 374 D N 2.120 122.427 120.400 -0.155 0.000 2.316 374 D HA 0.222 4.863 4.640 0.001 0.000 0.245 374 D C -0.367 175.850 176.300 -0.138 0.000 1.171 374 D CA 0.262 54.228 54.000 -0.057 0.000 0.856 374 D CB 1.485 42.348 40.800 0.105 0.000 1.090 374 D HN 0.511 nan 8.370 nan 0.000 0.476 375 S N 1.042 116.521 115.700 -0.368 0.000 2.810 375 S HA 0.259 4.729 4.470 0.001 0.000 0.315 375 S C -0.169 173.840 174.600 -0.984 0.000 1.138 375 S CA -0.927 56.896 58.200 -0.629 0.000 0.889 375 S CB 1.788 64.835 63.200 -0.256 0.000 1.236 375 S HN 0.138 nan 8.310 nan 0.000 0.548 376 D N 1.201 121.128 120.400 -0.789 0.000 2.662 376 D HA 0.399 5.039 4.640 0.001 0.000 0.228 376 D C -0.809 175.347 176.300 -0.240 0.000 1.093 376 D CA 0.329 54.087 54.000 -0.403 0.000 1.075 376 D CB -0.954 39.796 40.800 -0.084 0.000 1.122 376 D HN 0.432 nan 8.370 nan 0.000 0.475 377 S N 1.685 117.238 115.700 -0.245 0.000 2.541 377 S HA 0.218 4.689 4.470 0.001 0.000 0.280 377 S C -0.729 173.824 174.600 -0.079 0.000 1.112 377 S CA -0.958 57.153 58.200 -0.149 0.000 0.925 377 S CB 1.386 64.497 63.200 -0.148 0.000 1.067 377 S HN 0.379 nan 8.310 nan 0.000 0.479 378 W N 3.915 125.102 121.300 -0.188 0.000 2.343 378 W HA 0.056 4.716 4.660 0.000 0.000 0.337 378 W C -0.877 175.555 176.519 -0.144 0.000 1.320 378 W CA 1.012 58.266 57.345 -0.152 0.000 1.290 378 W CB 0.305 29.671 29.460 -0.156 0.000 1.206 378 W HN 0.591 nan 8.180 nan 0.000 0.565 379 D N 4.635 124.544 120.400 -0.818 0.000 2.542 379 D HA 0.128 4.768 4.640 0.001 0.000 0.252 379 D C 0.727 176.506 176.300 -0.868 0.000 1.222 379 D CA -0.302 53.309 54.000 -0.649 0.000 0.895 379 D CB 1.662 42.246 40.800 -0.360 0.000 1.207 379 D HN 0.295 nan 8.370 nan 0.000 0.558 380 T N 3.060 117.241 114.554 -0.622 0.000 2.821 380 T HA -0.098 4.252 4.350 0.001 0.000 0.267 380 T C 1.676 176.305 174.700 -0.118 0.000 1.046 380 T CA 0.814 62.708 62.100 -0.344 0.000 1.139 380 T CB -0.100 68.712 68.868 -0.094 0.000 0.871 380 T HN 0.384 nan 8.240 nan 0.000 0.454 381 F N 1.906 121.711 119.950 -0.241 0.000 2.102 381 F HA 0.080 4.607 4.527 0.000 0.000 0.298 381 F C 2.767 178.455 175.800 -0.186 0.000 1.105 381 F CA 0.182 58.071 58.000 -0.185 0.000 1.239 381 F CB -1.577 37.333 39.000 -0.151 0.000 0.991 381 F HN 0.161 nan 8.300 nan 0.000 0.474 382 A N 0.101 122.903 122.820 -0.030 0.000 1.908 382 A HA -0.092 4.228 4.320 0.001 0.000 0.218 382 A C 2.492 180.001 177.584 -0.126 0.000 1.181 382 A CA 2.128 54.116 52.037 -0.081 0.000 0.627 382 A CB -1.252 17.677 19.000 -0.117 0.000 0.818 382 A HN 0.301 nan 8.150 nan 0.000 0.445 383 A N -0.630 122.022 122.820 -0.281 0.000 1.902 383 A HA -0.062 4.258 4.320 0.001 0.000 0.217 383 A C 2.441 179.987 177.584 -0.065 0.000 1.181 383 A CA 2.037 53.927 52.037 -0.245 0.000 0.623 383 A CB -0.925 17.793 19.000 -0.470 0.000 0.818 383 A HN 0.460 nan 8.150 nan 0.000 0.443 384 S N -0.009 115.667 115.700 -0.041 0.000 2.370 384 S HA -0.144 4.326 4.470 0.001 0.000 0.226 384 S C 1.825 176.443 174.600 0.029 0.000 1.033 384 S CA 1.644 59.849 58.200 0.009 0.000 1.011 384 S CB -0.481 62.724 63.200 0.007 0.000 0.852 384 S HN 0.512 nan 8.310 nan 0.000 0.457 385 L N 0.926 122.159 121.223 0.018 0.000 2.072 385 L HA -0.059 4.281 4.340 0.001 0.000 0.205 385 L C 2.806 179.776 176.870 0.167 0.000 1.079 385 L CA 1.071 55.956 54.840 0.074 0.000 0.752 385 L CB -0.719 41.335 42.059 -0.009 0.000 0.906 385 L HN 0.317 nan 8.230 nan 0.000 0.436 386 A N 0.236 123.113 122.820 0.094 0.000 1.933 386 A HA -0.180 4.140 4.320 0.001 0.000 0.218 386 A C 2.521 180.142 177.584 0.062 0.000 1.175 386 A CA 1.750 53.838 52.037 0.084 0.000 0.628 386 A CB -0.643 18.398 19.000 0.067 0.000 0.814 386 A HN 0.403 nan 8.150 nan 0.000 0.444 387 A N -0.426 122.430 122.820 0.060 0.000 1.969 387 A HA 0.240 4.560 4.320 0.001 0.000 0.218 387 A C 2.244 179.856 177.584 0.046 0.000 1.169 387 A CA 1.744 53.811 52.037 0.050 0.000 0.635 387 A CB -0.681 18.352 19.000 0.054 0.000 0.810 387 A HN 1.095 nan 8.150 nan 0.000 0.445 388 A N -1.872 121.002 122.820 0.090 0.000 2.251 388 A HA 0.437 4.757 4.320 0.001 0.000 0.209 388 A C 1.527 179.103 177.584 -0.014 0.000 1.187 388 A CA 1.075 53.172 52.037 0.100 0.000 0.823 388 A CB -0.781 18.354 19.000 0.224 0.000 0.846 388 A HN 1.867 nan 8.150 nan 0.000 0.486 389 G N -1.753 107.011 108.800 -0.060 0.000 2.141 389 G HA2 -0.181 3.779 3.960 0.001 0.000 0.195 389 G HA3 -0.181 3.779 3.960 0.001 0.000 0.195 389 G C -0.279 174.343 174.900 -0.463 0.000 1.012 389 G CA -0.158 44.785 45.100 -0.263 0.000 0.696 389 G HN 0.303 nan 8.290 nan 0.000 0.508 390 F N 1.588 121.463 119.950 -0.125 0.000 2.469 390 F HA 0.580 5.107 4.527 0.000 0.000 0.332 390 F C 0.956 176.698 175.800 -0.097 0.000 1.103 390 F CA -1.148 56.786 58.000 -0.110 0.000 0.979 390 F CB 1.108 40.096 39.000 -0.019 0.000 1.137 390 F HN 0.059 nan 8.300 nan 0.000 0.463 391 H N 1.795 121.008 119.070 0.239 0.000 2.690 391 H HA 0.435 4.991 4.556 0.001 0.000 0.365 391 H C -0.424 175.033 175.328 0.216 0.000 1.142 391 H CA -0.108 56.053 56.048 0.190 0.000 1.417 391 H CB 1.248 31.103 29.762 0.155 0.000 1.446 391 H HN 0.272 nan 8.280 nan 0.000 0.599 392 V N 2.711 122.809 119.914 0.307 0.000 2.656 392 V HA 0.269 4.389 4.120 0.001 0.000 0.307 392 V C -0.079 176.148 176.094 0.223 0.000 1.051 392 V CA -0.800 61.633 62.300 0.221 0.000 0.893 392 V CB 2.173 34.083 31.823 0.144 0.000 0.999 392 V HN 0.429 nan 8.190 nan 0.000 0.426 393 V N 5.566 125.613 119.914 0.222 0.000 2.487 393 V HA 0.542 4.662 4.120 0.001 0.000 0.298 393 V C -0.302 175.909 176.094 0.194 0.000 1.028 393 V CA -0.346 62.093 62.300 0.232 0.000 0.860 393 V CB 1.813 33.818 31.823 0.303 0.000 0.991 393 V HN 0.911 nan 8.190 nan 0.000 0.427 394 M N 7.773 127.476 119.600 0.172 0.000 1.960 394 M HA 0.348 4.828 4.480 0.001 0.000 0.271 394 M C -2.910 173.498 176.300 0.180 0.000 0.862 394 M CA -1.355 54.055 55.300 0.184 0.000 0.854 394 M CB 2.279 34.982 32.600 0.172 0.000 1.575 394 M HN 0.342 nan 8.290 nan 0.000 0.375 395 P HA 0.177 nan 4.420 nan 0.000 0.293 395 P C -1.038 176.394 177.300 0.220 0.000 1.300 395 P CA -0.343 62.857 63.100 0.167 0.000 0.792 395 P CB 0.667 32.493 31.700 0.210 0.000 0.925 396 N N 3.801 122.583 118.700 0.138 0.000 2.671 396 N HA 0.025 4.766 4.740 0.001 0.000 0.274 396 N C 0.299 176.000 175.510 0.319 0.000 1.188 396 N CA -0.018 53.133 53.050 0.168 0.000 1.065 396 N CB -0.458 38.059 38.487 0.050 0.000 1.415 396 N HN 0.470 nan 8.380 nan 0.000 0.511 397 Y N 0.231 120.737 120.300 0.344 0.000 2.652 397 Y HA -0.010 4.540 4.550 0.000 0.000 0.344 397 Y C 1.137 177.103 175.900 0.109 0.000 1.254 397 Y CA -1.211 57.057 58.100 0.281 0.000 1.480 397 Y CB 0.303 38.846 38.460 0.139 0.000 1.345 397 Y HN 0.304 nan 8.280 nan 0.000 0.617 398 R N 1.374 121.748 120.500 -0.211 0.000 2.640 398 R HA 0.379 4.720 4.340 0.001 0.000 0.270 398 R C 0.847 176.984 176.300 -0.273 0.000 1.024 398 R CA 0.450 55.826 56.100 -1.206 0.000 1.085 398 R CB -0.154 29.299 30.300 -1.412 0.000 0.963 398 R HN 1.398 nan 8.270 nan 0.000 0.426 399 G N 1.600 110.270 108.800 -0.217 0.000 2.254 399 G HA2 -0.278 3.682 3.960 0.001 0.000 0.225 399 G HA3 -0.278 3.682 3.960 0.001 0.000 0.225 399 G C -0.089 174.985 174.900 0.289 0.000 1.003 399 G CA 0.099 45.314 45.100 0.191 0.000 0.622 399 G HN 0.673 nan 8.290 nan 0.000 0.507 400 S N 1.888 117.682 115.700 0.157 0.000 2.568 400 S HA 0.497 4.967 4.470 0.001 0.000 0.282 400 S C 0.988 175.783 174.600 0.326 0.000 1.338 400 S CA 0.550 58.897 58.200 0.245 0.000 1.045 400 S CB 1.034 64.417 63.200 0.305 0.000 0.873 400 S HN 1.160 nan 8.310 nan 0.000 0.516 401 T N -0.531 114.167 114.554 0.240 0.000 2.828 401 T HA 0.588 4.938 4.350 0.001 0.000 0.290 401 T C 1.274 176.115 174.700 0.234 0.000 1.019 401 T CA -0.078 62.139 62.100 0.194 0.000 1.031 401 T CB 0.874 69.810 68.868 0.114 0.000 1.001 401 T HN 1.173 nan 8.240 nan 0.000 0.531 402 G N 0.002 108.867 108.800 0.109 0.000 2.218 402 G HA2 -0.214 3.746 3.960 0.001 0.000 0.216 402 G HA3 -0.214 3.746 3.960 0.001 0.000 0.216 402 G C 0.169 174.750 174.900 -0.531 0.000 0.994 402 G CA 0.106 45.117 45.100 -0.148 0.000 0.637 402 G HN 0.776 nan 8.290 nan 0.000 0.505 403 Y N 0.895 121.268 120.300 0.121 0.000 2.738 403 Y HA 0.507 5.058 4.550 0.000 0.000 0.249 403 Y C 1.223 177.187 175.900 0.107 0.000 1.153 403 Y CA 0.278 58.432 58.100 0.091 0.000 1.165 403 Y CB 1.196 39.672 38.460 0.026 0.000 1.235 403 Y HN 1.207 nan 8.280 nan 0.000 0.559 404 G N 0.550 109.453 108.800 0.171 0.000 2.587 404 G HA2 -0.202 3.758 3.960 0.001 0.000 0.686 404 G HA3 -0.202 3.758 3.960 0.001 0.000 0.686 404 G C 0.063 175.053 174.900 0.149 0.000 1.236 404 G CA -0.274 44.902 45.100 0.126 0.000 0.820 404 G HN 0.164 nan 8.290 nan 0.000 0.645 405 E N -0.211 120.035 120.200 0.075 0.000 2.150 405 E HA -0.071 4.280 4.350 0.001 0.000 0.193 405 E C 2.031 178.687 176.600 0.093 0.000 0.985 405 E CA 2.038 58.465 56.400 0.045 0.000 0.814 405 E CB -0.058 29.635 29.700 -0.012 0.000 0.752 405 E HN 0.640 nan 8.360 nan 0.000 0.466 406 E N -0.149 120.128 120.200 0.129 0.000 2.023 406 E HA -0.224 4.127 4.350 0.001 0.000 0.196 406 E C 1.777 178.519 176.600 0.236 0.000 1.003 406 E CA 1.386 57.880 56.400 0.156 0.000 0.809 406 E CB -0.482 29.311 29.700 0.156 0.000 0.755 406 E HN 0.538 nan 8.360 nan 0.000 0.449 407 W N 1.620 122.976 121.300 0.094 0.000 2.338 407 W HA -0.226 4.434 4.660 0.000 0.000 0.304 407 W C 2.405 179.016 176.519 0.153 0.000 1.212 407 W CA 1.493 58.916 57.345 0.130 0.000 1.264 407 W CB -0.145 29.409 29.460 0.157 0.000 1.142 407 W HN 0.108 nan 8.180 nan 0.000 0.512 408 R N 0.366 120.997 120.500 0.218 0.000 2.075 408 R HA -0.155 4.186 4.340 0.001 0.000 0.232 408 R C 2.340 178.694 176.300 0.089 0.000 1.126 408 R CA 1.546 57.716 56.100 0.117 0.000 0.963 408 R CB -0.721 29.604 30.300 0.042 0.000 0.858 408 R HN 0.226 nan 8.270 nan 0.000 0.435 409 L N 0.496 121.756 121.223 0.061 0.000 2.478 409 L HA -0.023 4.318 4.340 0.001 0.000 0.223 409 L C 1.934 178.843 176.870 0.065 0.000 1.140 409 L CA 0.717 55.599 54.840 0.071 0.000 0.842 409 L CB -0.154 41.932 42.059 0.044 0.000 0.953 409 L HN 0.164 nan 8.230 nan 0.000 0.452 410 K N 0.372 120.785 120.400 0.022 0.000 2.280 410 K HA -0.136 4.185 4.320 0.001 0.000 0.202 410 K C 1.960 178.564 176.600 0.006 0.000 1.047 410 K CA 0.988 57.273 56.287 -0.003 0.000 0.942 410 K CB 0.017 32.474 32.500 -0.072 0.000 0.739 410 K HN 0.287 nan 8.250 nan 0.000 0.457 411 I N 1.131 121.717 120.570 0.026 0.000 2.676 411 I HA -0.108 4.063 4.170 0.001 0.000 0.259 411 I C 0.160 176.306 176.117 0.049 0.000 1.194 411 I CA 0.226 61.560 61.300 0.057 0.000 1.473 411 I CB 0.323 38.382 38.000 0.099 0.000 1.096 411 I HN 0.004 nan 8.210 nan 0.000 0.443 412 I N 2.159 122.767 120.570 0.064 0.000 2.668 412 I HA -0.003 4.168 4.170 0.001 0.000 0.285 412 I C 1.549 177.665 176.117 -0.002 0.000 1.168 412 I CA 1.236 62.554 61.300 0.031 0.000 1.424 412 I CB -0.450 37.587 38.000 0.062 0.000 1.377 412 I HN 0.492 nan 8.210 nan 0.000 0.560 413 G N 5.621 114.392 108.800 -0.049 0.000 2.184 413 G HA2 -0.273 3.688 3.960 0.001 0.000 0.264 413 G HA3 -0.273 3.688 3.960 0.001 0.000 0.264 413 G C 0.297 175.177 174.900 -0.032 0.000 0.975 413 G CA 0.447 45.516 45.100 -0.051 0.000 0.642 413 G HN 0.634 nan 8.290 nan 0.000 0.536 414 D N 0.516 120.911 120.400 -0.009 0.000 2.945 414 D HA 0.339 4.979 4.640 0.001 0.000 0.369 414 D C -2.254 174.088 176.300 0.069 0.000 1.294 414 D CA -1.225 52.791 54.000 0.026 0.000 0.778 414 D CB 1.030 41.854 40.800 0.040 0.000 1.188 414 D HN 0.275 nan 8.370 nan 0.000 0.479 415 P HA 0.100 nan 4.420 nan 0.000 0.275 415 P C 0.289 177.764 177.300 0.292 0.000 1.227 415 P CA -0.148 63.108 63.100 0.261 0.000 0.781 415 P CB 1.303 33.155 31.700 0.254 0.000 0.906 416 C N 2.563 122.034 119.300 0.284 0.000 4.209 416 C HA -0.083 4.377 4.460 0.001 0.000 0.305 416 C C 1.206 176.211 174.990 0.026 0.000 1.339 416 C CA 0.981 60.045 59.018 0.076 0.000 2.062 416 C CB -2.239 25.543 27.740 0.070 0.000 1.307 416 C HN 0.861 nan 8.230 nan 0.000 0.706 417 G N 0.255 109.065 108.800 0.017 0.000 3.009 417 G HA2 0.515 4.476 3.960 0.001 0.000 0.193 417 G HA3 0.515 4.476 3.960 0.001 0.000 0.193 417 G C 1.141 175.989 174.900 -0.086 0.000 1.636 417 G CA 0.662 45.740 45.100 -0.037 0.000 0.832 417 G HN 1.127 nan 8.290 nan 0.000 0.795 418 G N 0.813 109.600 108.800 -0.021 0.000 2.422 418 G HA2 -0.074 3.886 3.960 0.001 0.000 0.218 418 G HA3 -0.074 3.886 3.960 0.001 0.000 0.218 418 G C 1.523 176.490 174.900 0.112 0.000 1.140 418 G CA 1.729 46.859 45.100 0.050 0.000 0.775 418 G HN 0.558 nan 8.290 nan 0.000 0.545 419 E N 0.880 121.124 120.200 0.073 0.000 2.110 419 E HA -0.138 4.212 4.350 0.001 0.000 0.193 419 E C 2.377 179.000 176.600 0.038 0.000 0.988 419 E CA 1.001 57.453 56.400 0.087 0.000 0.804 419 E CB -0.673 29.065 29.700 0.063 0.000 0.745 419 E HN 0.360 nan 8.360 nan 0.000 0.458 420 L N 1.615 122.822 121.223 -0.027 0.000 2.083 420 L HA -0.108 4.232 4.340 0.001 0.000 0.209 420 L C 2.221 179.095 176.870 0.008 0.000 1.083 420 L CA 1.788 56.602 54.840 -0.042 0.000 0.752 420 L CB -0.387 41.620 42.059 -0.087 0.000 0.899 420 L HN -0.055 nan 8.230 nan 0.000 0.433 421 E N -0.000 120.183 120.200 -0.028 0.000 2.153 421 E HA -0.197 4.153 4.350 0.001 0.000 0.194 421 E C 1.818 178.531 176.600 0.188 0.000 0.988 421 E CA 1.289 57.685 56.400 -0.007 0.000 0.811 421 E CB -0.332 29.197 29.700 -0.286 0.000 0.746 421 E HN 0.615 nan 8.360 nan 0.000 0.466 422 D N 0.507 121.062 120.400 0.260 0.000 2.097 422 D HA -0.110 4.530 4.640 0.001 0.000 0.195 422 D C 2.197 178.654 176.300 0.262 0.000 0.989 422 D CA 0.736 54.930 54.000 0.322 0.000 0.827 422 D CB -0.334 40.713 40.800 0.411 0.000 0.966 422 D HN 0.019 nan 8.370 nan 0.000 0.456 423 V N 1.008 121.057 119.914 0.225 0.000 2.287 423 V HA -0.244 3.876 4.120 0.001 0.000 0.248 423 V C 2.650 178.884 176.094 0.234 0.000 1.053 423 V CA 2.022 64.460 62.300 0.230 0.000 1.027 423 V CB -0.656 31.269 31.823 0.169 0.000 0.646 423 V HN 0.220 nan 8.190 nan 0.000 0.447 424 S N -0.043 115.759 115.700 0.169 0.000 2.382 424 S HA -0.157 4.314 4.470 0.001 0.000 0.228 424 S C 2.087 176.753 174.600 0.110 0.000 1.027 424 S CA 1.559 59.818 58.200 0.099 0.000 0.991 424 S CB -0.306 62.914 63.200 0.032 0.000 0.823 424 S HN 0.606 nan 8.310 nan 0.000 0.469 425 A N 1.171 124.089 122.820 0.163 0.000 1.969 425 A HA 0.285 4.605 4.320 0.001 0.000 0.218 425 A C 2.453 180.171 177.584 0.225 0.000 1.169 425 A CA 1.692 53.841 52.037 0.187 0.000 0.635 425 A CB -1.276 17.856 19.000 0.219 0.000 0.810 425 A HN 0.776 nan 8.150 nan 0.000 0.445 426 A N 0.043 123.004 122.820 0.235 0.000 1.873 426 A HA 0.186 4.506 4.320 0.001 0.000 0.215 426 A C 2.529 180.311 177.584 0.330 0.000 1.186 426 A CA 2.013 54.219 52.037 0.282 0.000 0.616 426 A CB -1.149 17.996 19.000 0.242 0.000 0.823 426 A HN 1.069 nan 8.150 nan 0.000 0.442 427 A N -0.356 122.617 122.820 0.254 0.000 1.884 427 A HA -0.163 4.158 4.320 0.001 0.000 0.219 427 A C 2.503 180.142 177.584 0.092 0.000 1.197 427 A CA 3.524 55.659 52.037 0.164 0.000 0.637 427 A CB -1.160 17.816 19.000 -0.041 0.000 0.827 427 A HN 0.825 nan 8.150 nan 0.000 0.450 428 R N -1.719 118.830 120.500 0.081 0.000 2.092 428 R HA -0.171 4.170 4.340 0.001 0.000 0.231 428 R C 2.013 178.362 176.300 0.083 0.000 1.119 428 R CA 1.802 57.932 56.100 0.050 0.000 0.970 428 R CB -1.896 28.438 30.300 0.057 0.000 0.864 428 R HN 0.925 nan 8.270 nan 0.000 0.440 429 W N 1.078 122.399 121.300 0.034 0.000 2.335 429 W HA -0.107 4.553 4.660 0.000 0.000 0.311 429 W C 2.424 178.962 176.519 0.030 0.000 1.213 429 W CA 1.939 59.305 57.345 0.035 0.000 1.274 429 W CB -0.230 29.257 29.460 0.046 0.000 1.148 429 W HN 0.432 nan 8.180 nan 0.000 0.498 430 A N 0.669 123.473 122.820 -0.027 0.000 1.917 430 A HA -0.234 4.086 4.320 0.001 0.000 0.219 430 A C 2.013 179.399 177.584 -0.329 0.000 1.182 430 A CA 2.126 54.010 52.037 -0.255 0.000 0.633 430 A CB -0.896 18.153 19.000 0.081 0.000 0.819 430 A HN 0.434 nan 8.150 nan 0.000 0.448 431 R N -0.608 119.778 120.500 -0.189 0.000 2.061 431 R HA -0.097 4.243 4.340 0.001 0.000 0.230 431 R C 2.167 178.343 176.300 -0.206 0.000 1.140 431 R CA 1.853 57.858 56.100 -0.158 0.000 0.940 431 R CB -0.254 29.987 30.300 -0.099 0.000 0.839 431 R HN 0.669 nan 8.270 nan 0.000 0.429 432 E N -0.461 119.609 120.200 -0.216 0.000 2.208 432 E HA -0.106 4.244 4.350 0.001 0.000 0.193 432 E C 1.739 178.190 176.600 -0.249 0.000 0.988 432 E CA 1.193 57.487 56.400 -0.176 0.000 0.828 432 E CB 0.168 29.811 29.700 -0.096 0.000 0.763 432 E HN 0.351 nan 8.360 nan 0.000 0.478 433 S N -0.799 114.611 115.700 -0.483 0.000 2.489 433 S HA 0.056 4.526 4.470 0.001 0.000 0.228 433 S C 1.687 176.077 174.600 -0.350 0.000 0.995 433 S CA 0.652 58.543 58.200 -0.515 0.000 0.934 433 S CB 0.305 62.823 63.200 -1.137 0.000 0.771 433 S HN 0.357 nan 8.310 nan 0.000 0.522 434 G N 0.391 109.003 108.800 -0.313 0.000 2.179 434 G HA2 -0.224 3.736 3.960 0.001 0.000 0.220 434 G HA3 -0.224 3.736 3.960 0.001 0.000 0.220 434 G C 0.446 175.230 174.900 -0.192 0.000 0.990 434 G CA 0.278 45.260 45.100 -0.197 0.000 0.646 434 G HN 0.558 nan 8.290 nan 0.000 0.517 435 L N 1.173 122.222 121.223 -0.291 0.000 2.072 435 L HA 0.682 5.022 4.340 0.001 0.000 0.205 435 L C 1.770 178.596 176.870 -0.073 0.000 1.079 435 L CA 2.547 57.250 54.840 -0.228 0.000 0.752 435 L CB -0.352 41.529 42.059 -0.296 0.000 0.906 435 L HN 0.895 nan 8.230 nan 0.000 0.436 436 A N -1.512 121.266 122.820 -0.070 0.000 2.271 436 A HA 0.487 4.807 4.320 0.001 0.000 0.317 436 A C 1.113 178.696 177.584 -0.001 0.000 1.245 436 A CA 0.166 52.217 52.037 0.024 0.000 0.857 436 A CB 0.586 19.603 19.000 0.029 0.000 1.175 436 A HN 0.425 nan 8.150 nan 0.000 0.512 437 S N 1.657 117.375 115.700 0.031 0.000 2.425 437 S HA 0.064 4.534 4.470 0.001 0.000 0.225 437 S C 0.445 175.041 174.600 -0.007 0.000 1.024 437 S CA 0.850 59.053 58.200 0.005 0.000 0.951 437 S CB -0.320 62.888 63.200 0.012 0.000 0.796 437 S HN 0.880 nan 8.310 nan 0.000 0.498 438 E N -0.399 119.805 120.200 0.006 0.000 2.390 438 E HA 0.628 4.979 4.350 0.001 0.000 0.280 438 E C -1.821 174.724 176.600 -0.092 0.000 0.992 438 E CA -1.049 55.307 56.400 -0.072 0.000 0.790 438 E CB 1.060 30.701 29.700 -0.098 0.000 1.248 438 E HN 0.178 nan 8.360 nan 0.000 0.447 439 L N 2.139 123.237 121.223 -0.207 0.000 2.362 439 L HA 0.550 4.890 4.340 0.001 0.000 0.275 439 L C -1.377 175.392 176.870 -0.169 0.000 0.998 439 L CA -0.766 54.049 54.840 -0.042 0.000 0.820 439 L CB 1.151 43.264 42.059 0.090 0.000 1.270 439 L HN 0.592 nan 8.230 nan 0.000 0.415 440 Y N 3.009 123.483 120.300 0.291 0.000 2.587 440 Y HA 0.634 5.185 4.550 0.001 0.000 0.337 440 Y C -0.261 175.580 175.900 -0.098 0.000 1.065 440 Y CA -0.759 57.428 58.100 0.146 0.000 1.126 440 Y CB 2.290 40.765 38.460 0.025 0.000 1.279 440 Y HN 0.351 nan 8.280 nan 0.000 0.489 441 I N 2.788 123.199 120.570 -0.264 0.000 2.608 441 I HA 0.616 4.786 4.170 0.001 0.000 0.295 441 I C -1.333 174.638 176.117 -0.244 0.000 1.049 441 I CA -0.891 60.070 61.300 -0.565 0.000 1.063 441 I CB 1.620 38.795 38.000 -1.376 0.000 1.248 441 I HN 0.820 nan 8.210 nan 0.000 0.424 442 M N 6.438 125.931 119.600 -0.177 0.000 2.465 442 M HA 0.754 5.234 4.480 0.001 0.000 0.284 442 M C -1.548 174.721 176.300 -0.052 0.000 1.212 442 M CA -0.235 54.997 55.300 -0.114 0.000 0.910 442 M CB 2.356 34.879 32.600 -0.129 0.000 1.725 442 M HN 0.691 nan 8.290 nan 0.000 0.477 443 G N 1.814 110.608 108.800 -0.011 0.000 2.579 443 G HA2 0.457 4.417 3.960 0.001 0.000 0.292 443 G HA3 0.457 4.417 3.960 0.001 0.000 0.292 443 G C -3.005 171.995 174.900 0.166 0.000 1.484 443 G CA -0.545 44.614 45.100 0.098 0.000 0.813 443 G HN 0.769 nan 8.290 nan 0.000 0.515 444 Y N 1.218 121.586 120.300 0.114 0.000 2.446 444 Y HA 0.623 5.174 4.550 0.000 0.000 0.345 444 Y C 1.000 176.975 175.900 0.126 0.000 0.984 444 Y CA 0.964 59.122 58.100 0.096 0.000 1.058 444 Y CB 2.161 40.731 38.460 0.184 0.000 1.220 444 Y HN 1.507 nan 8.280 nan 0.000 0.455 445 S N 2.921 118.458 115.700 -0.272 0.000 4.116 445 S HA -0.425 4.045 4.470 0.001 0.000 0.623 445 S C 0.960 175.644 174.600 0.139 0.000 1.933 445 S CA 1.670 59.861 58.200 -0.016 0.000 4.224 445 S CB -1.680 61.703 63.200 0.304 0.000 0.208 445 S HN 0.975 nan 8.310 nan 0.000 0.527 446 Y N 2.310 122.710 120.300 0.167 0.000 2.315 446 Y HA 0.020 4.570 4.550 0.000 0.000 0.288 446 Y C 2.304 178.324 175.900 0.201 0.000 1.154 446 Y CA 2.524 60.743 58.100 0.199 0.000 1.229 446 Y CB -0.954 37.655 38.460 0.248 0.000 0.980 446 Y HN 0.522 nan 8.280 nan 0.000 0.540 447 G N -1.072 107.900 108.800 0.287 0.000 2.422 447 G HA2 -0.178 3.783 3.960 0.001 0.000 0.218 447 G HA3 -0.178 3.783 3.960 0.001 0.000 0.218 447 G C 1.900 176.820 174.900 0.032 0.000 1.140 447 G CA 0.649 45.847 45.100 0.163 0.000 0.775 447 G HN 0.562 nan 8.290 nan 0.000 0.545 448 G N 0.107 108.924 108.800 0.029 0.000 2.433 448 G HA2 -0.275 3.685 3.960 0.001 0.000 0.216 448 G HA3 -0.275 3.685 3.960 0.001 0.000 0.216 448 G C 1.590 176.441 174.900 -0.082 0.000 1.186 448 G CA 1.100 46.175 45.100 -0.041 0.000 0.779 448 G HN 0.364 nan 8.290 nan 0.000 0.543 449 Y N 1.044 121.191 120.300 -0.254 0.000 2.096 449 Y HA -0.262 4.288 4.550 0.000 0.000 0.278 449 Y C 2.800 178.506 175.900 -0.323 0.000 1.192 449 Y CA 2.141 60.024 58.100 -0.361 0.000 1.143 449 Y CB -0.172 37.930 38.460 -0.597 0.000 0.963 449 Y HN 0.104 nan 8.280 nan 0.000 0.505 450 M N -0.779 118.579 119.600 -0.403 0.000 2.159 450 M HA -0.202 4.278 4.480 0.001 0.000 0.263 450 M C 2.061 178.184 176.300 -0.295 0.000 1.063 450 M CA 1.984 57.033 55.300 -0.417 0.000 1.110 450 M CB -1.416 31.013 32.600 -0.284 0.000 1.374 450 M HN 0.288 nan 8.290 nan 0.000 0.411 451 T N 1.606 116.027 114.554 -0.222 0.000 2.652 451 T HA -0.124 4.227 4.350 0.001 0.000 0.267 451 T C 2.004 176.602 174.700 -0.171 0.000 1.039 451 T CA 1.200 63.184 62.100 -0.194 0.000 1.153 451 T CB -0.315 68.461 68.868 -0.153 0.000 0.863 451 T HN 0.319 nan 8.240 nan 0.000 0.428 452 L N 0.300 121.407 121.223 -0.192 0.000 2.083 452 L HA -0.124 4.216 4.340 0.001 0.000 0.209 452 L C 2.904 179.655 176.870 -0.198 0.000 1.083 452 L CA 0.957 55.694 54.840 -0.172 0.000 0.752 452 L CB -0.681 41.278 42.059 -0.167 0.000 0.899 452 L HN 0.403 nan 8.230 nan 0.000 0.433 453 C N -0.378 118.721 119.300 -0.336 0.000 2.440 453 C HA -0.096 4.364 4.460 0.001 0.000 0.278 453 C C 3.137 178.030 174.990 -0.162 0.000 1.295 453 C CA 0.640 59.472 59.018 -0.310 0.000 1.738 453 C CB -0.968 26.461 27.740 -0.518 0.000 1.987 453 C HN 0.612 nan 8.230 nan 0.000 0.492 454 A N 0.043 122.797 122.820 -0.109 0.000 1.902 454 A HA -0.088 4.232 4.320 0.001 0.000 0.217 454 A C 1.917 179.539 177.584 0.064 0.000 1.181 454 A CA 1.474 53.537 52.037 0.044 0.000 0.623 454 A CB -0.501 18.616 19.000 0.194 0.000 0.818 454 A HN 0.458 nan 8.150 nan 0.000 0.443 455 L N 0.175 121.414 121.223 0.026 0.000 2.217 455 L HA -0.082 4.259 4.340 0.001 0.000 0.211 455 L C 2.818 179.695 176.870 0.011 0.000 1.107 455 L CA 2.281 57.148 54.840 0.045 0.000 0.783 455 L CB -0.643 41.435 42.059 0.032 0.000 0.919 455 L HN 0.666 nan 8.230 nan 0.000 0.442 456 T N -5.233 109.307 114.554 -0.024 0.000 2.939 456 T HA -0.025 4.325 4.350 0.001 0.000 0.254 456 T C 1.682 176.344 174.700 -0.063 0.000 1.041 456 T CA 0.470 62.555 62.100 -0.025 0.000 1.142 456 T CB -0.063 68.801 68.868 -0.007 0.000 0.874 456 T HN -0.006 nan 8.240 nan 0.000 0.452 457 M N 0.832 120.379 119.600 -0.090 0.000 2.501 457 M HA 0.328 4.809 4.480 0.001 0.000 0.261 457 M C 0.786 177.038 176.300 -0.079 0.000 1.129 457 M CA 0.797 56.026 55.300 -0.119 0.000 1.126 457 M CB -0.429 32.085 32.600 -0.144 0.000 1.359 457 M HN 0.219 nan 8.290 nan 0.000 0.471 458 K N 1.231 121.606 120.400 -0.043 0.000 3.237 458 K HA 0.297 4.618 4.320 0.001 0.000 0.197 458 K C -2.525 174.066 176.600 -0.015 0.000 1.133 458 K CA -1.231 55.035 56.287 -0.035 0.000 0.944 458 K CB 1.082 33.564 32.500 -0.030 0.000 0.952 458 K HN 0.051 nan 8.250 nan 0.000 0.515 459 P HA 0.002 nan 4.420 nan 0.000 0.271 459 P C 0.786 178.077 177.300 -0.014 0.000 1.216 459 P CA 0.908 64.012 63.100 0.006 0.000 0.771 459 P CB 0.987 32.689 31.700 0.003 0.000 0.864 460 G N 1.687 110.484 108.800 -0.005 0.000 2.175 460 G HA2 -0.303 3.658 3.960 0.001 0.000 0.244 460 G HA3 -0.303 3.658 3.960 0.001 0.000 0.244 460 G C 0.527 175.371 174.900 -0.094 0.000 0.982 460 G CA 0.280 45.359 45.100 -0.034 0.000 0.641 460 G HN 0.546 nan 8.290 nan 0.000 0.527 461 L N -0.272 120.865 121.223 -0.144 0.000 2.044 461 L HA 0.548 4.889 4.340 0.001 0.000 0.205 461 L C 1.156 177.714 176.870 -0.521 0.000 1.075 461 L CA 1.471 56.091 54.840 -0.366 0.000 0.747 461 L CB -0.223 41.539 42.059 -0.495 0.000 0.903 461 L HN 0.229 nan 8.230 nan 0.000 0.435 462 F N -1.012 118.922 119.950 -0.026 0.000 2.497 462 F HA 0.302 4.829 4.527 0.001 0.000 0.331 462 F C 1.475 177.240 175.800 -0.059 0.000 1.060 462 F CA -0.540 57.434 58.000 -0.044 0.000 0.989 462 F CB 1.038 40.041 39.000 0.005 0.000 1.245 462 F HN -0.261 nan 8.300 nan 0.000 0.486 463 K N 0.829 121.265 120.400 0.059 0.000 2.186 463 K HA 0.453 4.773 4.320 0.001 0.000 0.202 463 K C -0.152 176.545 176.600 0.162 0.000 1.052 463 K CA 0.837 57.123 56.287 -0.002 0.000 0.965 463 K CB 0.271 32.629 32.500 -0.237 0.000 0.746 463 K HN 0.721 nan 8.250 nan 0.000 0.457 464 A N -0.633 122.363 122.820 0.292 0.000 2.566 464 A HA 0.610 4.930 4.320 0.001 0.000 0.290 464 A C -1.125 176.672 177.584 0.355 0.000 1.071 464 A CA -0.462 51.796 52.037 0.367 0.000 0.658 464 A CB 1.272 20.502 19.000 0.383 0.000 1.285 464 A HN 0.193 nan 8.150 nan 0.000 0.427 465 G N -0.753 108.239 108.800 0.320 0.000 2.620 465 G HA2 0.632 4.592 3.960 0.001 0.000 0.301 465 G HA3 0.632 4.592 3.960 0.001 0.000 0.301 465 G C -1.600 173.336 174.900 0.059 0.000 1.347 465 G CA -0.496 44.681 45.100 0.129 0.000 0.971 465 G HN 1.194 nan 8.290 nan 0.000 0.488 466 V N 0.692 120.585 119.914 -0.035 0.000 2.417 466 V HA 0.731 4.851 4.120 0.001 0.000 0.291 466 V C 0.215 176.242 176.094 -0.111 0.000 1.024 466 V CA -0.632 61.590 62.300 -0.130 0.000 0.861 466 V CB 1.420 33.164 31.823 -0.131 0.000 0.985 466 V HN 1.160 nan 8.190 nan 0.000 0.436 467 A N 3.838 126.593 122.820 -0.107 0.000 2.409 467 A HA 0.797 5.117 4.320 0.001 0.000 0.300 467 A C 0.193 177.745 177.584 -0.053 0.000 1.273 467 A CA -0.168 51.823 52.037 -0.078 0.000 0.774 467 A CB 0.805 19.756 19.000 -0.082 0.000 1.144 467 A HN 0.991 nan 8.150 nan 0.000 0.472 468 G N 0.784 109.559 108.800 -0.041 0.000 2.371 468 G HA2 0.642 4.602 3.960 0.001 0.000 0.326 468 G HA3 0.642 4.602 3.960 0.001 0.000 0.326 468 G C 0.728 175.426 174.900 -0.337 0.000 1.127 468 G CA 0.096 45.160 45.100 -0.060 0.000 0.885 468 G HN 2.272 nan 8.290 nan 0.000 0.477 469 A N 0.857 123.347 122.820 -0.550 0.000 2.704 469 A HA -0.056 4.264 4.320 0.001 0.000 0.299 469 A C 1.165 178.505 177.584 -0.406 0.000 1.507 469 A CA 1.021 52.502 52.037 -0.928 0.000 0.776 469 A CB -2.165 15.921 19.000 -1.523 0.000 1.027 469 A HN 2.221 nan 8.150 nan 0.000 0.475 470 S N -1.322 114.326 115.700 -0.088 0.000 2.632 470 S HA 0.688 5.158 4.470 0.001 0.000 0.271 470 S C 0.159 174.739 174.600 -0.034 0.000 1.260 470 S CA -0.320 57.852 58.200 -0.047 0.000 1.010 470 S CB 1.896 65.076 63.200 -0.034 0.000 0.965 470 S HN 1.199 nan 8.310 nan 0.000 0.534 471 V N 2.630 122.469 119.914 -0.125 0.000 2.498 471 V HA 0.226 4.346 4.120 0.001 0.000 0.279 471 V C 0.686 176.658 176.094 -0.203 0.000 1.048 471 V CA -0.305 61.807 62.300 -0.312 0.000 0.967 471 V CB 1.039 32.362 31.823 -0.833 0.000 0.988 471 V HN 0.917 nan 8.190 nan 0.000 0.473 472 V N 2.189 121.963 119.914 -0.233 0.000 3.090 472 V HA 0.266 4.386 4.120 0.001 0.000 0.237 472 V C 0.078 176.069 176.094 -0.172 0.000 1.209 472 V CA 0.523 62.725 62.300 -0.164 0.000 1.209 472 V CB 0.618 32.349 31.823 -0.154 0.000 0.971 472 V HN 0.902 nan 8.190 nan 0.000 0.477 473 D N -1.755 118.520 120.400 -0.208 0.000 2.575 473 D HA 0.222 4.862 4.640 0.001 0.000 0.250 473 D C 0.068 176.305 176.300 -0.106 0.000 1.279 473 D CA -0.617 53.307 54.000 -0.126 0.000 0.925 473 D CB 1.119 41.883 40.800 -0.059 0.000 1.261 473 D HN 0.134 nan 8.370 nan 0.000 0.567 474 W N 2.198 123.508 121.300 0.016 0.000 2.374 474 W HA -0.048 4.613 4.660 0.001 0.000 0.288 474 W C 1.864 178.418 176.519 0.058 0.000 1.218 474 W CA 0.351 57.710 57.345 0.022 0.000 1.245 474 W CB 0.224 29.687 29.460 0.005 0.000 1.126 474 W HN 0.501 nan 8.180 nan 0.000 0.545 475 E N 0.151 120.496 120.200 0.241 0.000 2.028 475 E HA -0.224 4.126 4.350 0.001 0.000 0.190 475 E C 1.882 178.583 176.600 0.169 0.000 0.984 475 E CA 1.266 57.768 56.400 0.169 0.000 0.800 475 E CB -0.429 29.326 29.700 0.091 0.000 0.758 475 E HN 0.372 nan 8.360 nan 0.000 0.448 476 E N 0.946 121.206 120.200 0.100 0.000 2.110 476 E HA -0.204 4.146 4.350 0.001 0.000 0.193 476 E C 2.169 178.818 176.600 0.082 0.000 0.988 476 E CA 0.809 57.250 56.400 0.069 0.000 0.804 476 E CB -0.024 29.684 29.700 0.013 0.000 0.745 476 E HN 0.138 nan 8.360 nan 0.000 0.458 477 M N -0.195 119.454 119.600 0.083 0.000 2.073 477 M HA -0.267 4.213 4.480 0.001 0.000 0.258 477 M C 2.141 178.532 176.300 0.152 0.000 1.070 477 M CA 1.937 57.285 55.300 0.080 0.000 1.103 477 M CB -0.376 32.257 32.600 0.055 0.000 1.321 477 M HN 0.274 nan 8.290 nan 0.000 0.405 478 Y N 1.456 121.835 120.300 0.131 0.000 2.102 478 Y HA -0.321 4.230 4.550 0.001 0.000 0.280 478 Y C 2.150 178.103 175.900 0.088 0.000 1.178 478 Y CA 2.440 60.621 58.100 0.135 0.000 1.146 478 Y CB -0.255 38.284 38.460 0.132 0.000 0.968 478 Y HN 0.398 nan 8.280 nan 0.000 0.504 479 E N -0.084 120.242 120.200 0.209 0.000 2.204 479 E HA -0.138 4.212 4.350 0.001 0.000 0.194 479 E C 1.766 178.369 176.600 0.006 0.000 0.989 479 E CA 1.091 57.551 56.400 0.100 0.000 0.824 479 E CB -0.272 29.497 29.700 0.115 0.000 0.756 479 E HN 0.543 nan 8.360 nan 0.000 0.477 480 L N 1.230 122.457 121.223 0.007 0.000 2.629 480 L HA 0.121 4.461 4.340 0.001 0.000 0.230 480 L C 0.497 177.347 176.870 -0.033 0.000 1.151 480 L CA -0.151 54.679 54.840 -0.015 0.000 0.924 480 L CB 0.246 42.298 42.059 -0.013 0.000 1.137 480 L HN -0.136 nan 8.230 nan 0.000 0.457 481 S N -0.430 115.237 115.700 -0.056 0.000 2.651 481 S HA 0.308 4.778 4.470 0.001 0.000 0.291 481 S C -0.411 174.173 174.600 -0.028 0.000 1.141 481 S CA -0.914 57.271 58.200 -0.024 0.000 1.027 481 S CB 1.735 64.942 63.200 0.012 0.000 1.043 481 S HN 0.261 nan 8.310 nan 0.000 0.530 482 D N 0.497 120.931 120.400 0.057 0.000 2.451 482 D HA 0.496 5.136 4.640 0.001 0.000 0.259 482 D C 1.183 177.466 176.300 -0.028 0.000 1.201 482 D CA -0.440 53.573 54.000 0.022 0.000 1.028 482 D CB 0.090 40.926 40.800 0.060 0.000 1.095 482 D HN 0.386 nan 8.370 nan 0.000 0.539 483 A N 0.118 122.894 122.820 -0.072 0.000 1.917 483 A HA -0.055 4.265 4.320 0.001 0.000 0.219 483 A C 2.192 179.658 177.584 -0.196 0.000 1.182 483 A CA 2.905 54.872 52.037 -0.118 0.000 0.633 483 A CB -1.440 17.492 19.000 -0.113 0.000 0.819 483 A HN 0.719 nan 8.150 nan 0.000 0.448 484 A N -1.367 121.243 122.820 -0.349 0.000 1.877 484 A HA 0.012 4.332 4.320 0.001 0.000 0.216 484 A C 1.988 179.210 177.584 -0.603 0.000 1.186 484 A CA 1.498 53.025 52.037 -0.850 0.000 0.620 484 A CB -0.728 17.245 19.000 -1.711 0.000 0.822 484 A HN 0.489 nan 8.150 nan 0.000 0.443 485 F N -0.325 119.551 119.950 -0.123 0.000 2.259 485 F HA -0.036 4.492 4.527 0.000 0.000 0.298 485 F C 2.583 178.460 175.800 0.128 0.000 1.088 485 F CA 1.161 59.246 58.000 0.142 0.000 1.358 485 F CB -0.118 38.962 39.000 0.134 0.000 1.040 485 F HN 0.095 nan 8.300 nan 0.000 0.505 486 R N 0.154 120.703 120.500 0.082 0.000 2.070 486 R HA -0.199 4.142 4.340 0.001 0.000 0.233 486 R C 2.173 178.578 176.300 0.175 0.000 1.137 486 R CA 1.534 57.592 56.100 -0.070 0.000 0.945 486 R CB -0.823 29.247 30.300 -0.383 0.000 0.845 486 R HN 0.315 nan 8.270 nan 0.000 0.430 487 N N 0.350 119.115 118.700 0.109 0.000 2.104 487 N HA -0.211 4.529 4.740 0.001 0.000 0.190 487 N C 1.715 177.374 175.510 0.247 0.000 1.024 487 N CA 1.259 54.402 53.050 0.154 0.000 0.853 487 N CB -0.060 38.481 38.487 0.090 0.000 1.008 487 N HN 0.078 nan 8.380 nan 0.000 0.424 488 F N 1.802 121.834 119.950 0.135 0.000 2.146 488 F HA 0.021 4.549 4.527 0.001 0.000 0.298 488 F C 2.279 178.170 175.800 0.152 0.000 1.096 488 F CA 0.808 58.919 58.000 0.186 0.000 1.275 488 F CB -0.365 38.783 39.000 0.247 0.000 1.008 488 F HN -0.012 nan 8.300 nan 0.000 0.480 489 I N 0.197 120.917 120.570 0.249 0.000 2.163 489 I HA -0.331 3.839 4.170 0.001 0.000 0.243 489 I C 2.257 178.330 176.117 -0.072 0.000 1.085 489 I CA 1.758 63.112 61.300 0.090 0.000 1.347 489 I CB -0.565 37.668 38.000 0.388 0.000 1.044 489 I HN 0.196 nan 8.210 nan 0.000 0.408 490 E N 0.361 120.605 120.200 0.072 0.000 2.070 490 E HA -0.306 4.044 4.350 0.001 0.000 0.197 490 E C 2.240 178.795 176.600 -0.075 0.000 1.004 490 E CA 1.406 57.807 56.400 0.002 0.000 0.805 490 E CB -0.156 29.599 29.700 0.091 0.000 0.744 490 E HN 0.560 nan 8.360 nan 0.000 0.451 491 Q N 0.139 119.891 119.800 -0.079 0.000 2.050 491 Q HA -0.171 4.169 4.340 0.001 0.000 0.202 491 Q C 2.347 178.231 176.000 -0.193 0.000 0.980 491 Q CA 0.959 56.706 55.803 -0.094 0.000 0.840 491 Q CB -0.118 28.592 28.738 -0.047 0.000 0.898 491 Q HN 0.195 nan 8.270 nan 0.000 0.424 492 L N 0.445 121.441 121.223 -0.379 0.000 2.093 492 L HA -0.132 4.208 4.340 0.001 0.000 0.208 492 L C 2.329 178.990 176.870 -0.349 0.000 1.085 492 L CA 1.913 56.500 54.840 -0.420 0.000 0.755 492 L CB -0.323 41.367 42.059 -0.616 0.000 0.904 492 L HN 0.322 nan 8.230 nan 0.000 0.435 493 T N -4.169 110.157 114.554 -0.379 0.000 3.107 493 T HA 0.261 4.611 4.350 0.001 0.000 0.249 493 T C 1.360 175.945 174.700 -0.192 0.000 1.096 493 T CA 0.243 62.136 62.100 -0.345 0.000 1.012 493 T CB -0.199 68.412 68.868 -0.429 0.000 0.977 493 T HN 0.470 nan 8.240 nan 0.000 0.527 494 G N 1.064 109.778 108.800 -0.144 0.000 2.198 494 G HA2 0.065 4.025 3.960 0.001 0.000 0.260 494 G HA3 0.065 4.025 3.960 0.001 0.000 0.260 494 G C 1.068 175.923 174.900 -0.076 0.000 1.025 494 G CA 0.313 45.364 45.100 -0.081 0.000 0.769 494 G HN 1.778 nan 8.290 nan 0.000 0.507 495 G N -1.737 107.004 108.800 -0.098 0.000 2.155 495 G HA2 0.044 4.004 3.960 0.001 0.000 0.257 495 G HA3 0.044 4.004 3.960 0.001 0.000 0.257 495 G C 0.479 175.318 174.900 -0.102 0.000 0.983 495 G CA 1.389 46.437 45.100 -0.088 0.000 0.676 495 G HN 2.282 nan 8.290 nan 0.000 0.528 496 S N -0.732 114.899 115.700 -0.115 0.000 2.438 496 S HA 0.606 5.077 4.470 0.001 0.000 0.316 496 S C 1.342 175.877 174.600 -0.109 0.000 1.084 496 S CA 0.326 58.470 58.200 -0.094 0.000 1.107 496 S CB 1.416 64.574 63.200 -0.070 0.000 0.981 496 S HN 0.576 nan 8.310 nan 0.000 0.466 497 R N 3.418 123.860 120.500 -0.098 0.000 2.092 497 R HA -0.061 4.279 4.340 0.001 0.000 0.231 497 R C 1.869 178.142 176.300 -0.045 0.000 1.119 497 R CA 2.037 58.083 56.100 -0.090 0.000 0.970 497 R CB -0.387 29.862 30.300 -0.085 0.000 0.864 497 R HN 0.726 nan 8.270 nan 0.000 0.440 498 E N 0.736 120.915 120.200 -0.034 0.000 2.097 498 E HA -0.189 4.162 4.350 0.001 0.000 0.196 498 E C 1.649 178.250 176.600 0.002 0.000 1.000 498 E CA 1.857 58.251 56.400 -0.010 0.000 0.804 498 E CB -0.213 29.482 29.700 -0.008 0.000 0.740 498 E HN 0.419 nan 8.360 nan 0.000 0.454 499 I N 0.026 120.581 120.570 -0.025 0.000 2.353 499 I HA -0.187 3.983 4.170 0.001 0.000 0.248 499 I C 2.394 178.502 176.117 -0.015 0.000 1.119 499 I CA 1.031 62.316 61.300 -0.025 0.000 1.417 499 I CB -0.745 37.208 38.000 -0.078 0.000 1.078 499 I HN 0.285 nan 8.210 nan 0.000 0.421 500 M N -0.285 119.283 119.600 -0.053 0.000 2.149 500 M HA -0.239 4.241 4.480 0.001 0.000 0.261 500 M C 2.445 178.852 176.300 0.178 0.000 1.064 500 M CA 1.761 57.079 55.300 0.031 0.000 1.102 500 M CB -0.340 32.258 32.600 -0.003 0.000 1.369 500 M HN 0.146 nan 8.290 nan 0.000 0.408 501 R N -0.206 120.353 120.500 0.097 0.000 2.064 501 R HA -0.076 4.264 4.340 0.001 0.000 0.221 501 R C 2.399 178.765 176.300 0.109 0.000 1.136 501 R CA 1.678 57.829 56.100 0.086 0.000 0.980 501 R CB -0.152 30.168 30.300 0.033 0.000 0.876 501 R HN 0.410 nan 8.270 nan 0.000 0.437 502 S N 0.362 116.134 115.700 0.119 0.000 2.423 502 S HA -0.027 4.443 4.470 0.001 0.000 0.231 502 S C 1.380 176.145 174.600 0.275 0.000 1.014 502 S CA 0.555 58.862 58.200 0.178 0.000 0.965 502 S CB 0.008 63.285 63.200 0.128 0.000 0.785 502 S HN 0.225 nan 8.310 nan 0.000 0.495 503 R N 1.473 122.136 120.500 0.272 0.000 2.466 503 R HA 0.415 4.755 4.340 0.001 0.000 0.279 503 R C -0.438 176.161 176.300 0.498 0.000 0.976 503 R CA -0.045 56.273 56.100 0.363 0.000 1.081 503 R CB -0.334 30.188 30.300 0.370 0.000 1.215 503 R HN 0.293 nan 8.270 nan 0.000 0.546 504 S N 2.034 117.946 115.700 0.353 0.000 2.429 504 S HA 0.277 4.748 4.470 0.001 0.000 0.302 504 S C -1.753 172.915 174.600 0.112 0.000 1.115 504 S CA -1.221 57.105 58.200 0.211 0.000 1.095 504 S CB 2.097 65.368 63.200 0.118 0.000 0.987 504 S HN -0.066 nan 8.310 nan 0.000 0.474 505 P HA -0.069 nan 4.420 nan 0.000 0.219 505 P C 1.419 178.703 177.300 -0.027 0.000 1.146 505 P CA 0.371 63.491 63.100 0.033 0.000 0.808 505 P CB 0.077 31.745 31.700 -0.052 0.000 0.779 506 I N -0.017 120.512 120.570 -0.068 0.000 2.315 506 I HA -0.235 3.936 4.170 0.001 0.000 0.251 506 I C 1.136 177.173 176.117 -0.133 0.000 1.125 506 I CA 1.681 62.922 61.300 -0.098 0.000 1.392 506 I CB -0.512 37.431 38.000 -0.095 0.000 1.065 506 I HN -0.078 nan 8.210 nan 0.000 0.424 507 N N -0.246 118.320 118.700 -0.223 0.000 2.383 507 N HA 0.019 4.759 4.740 0.001 0.000 0.192 507 N C 0.132 175.312 175.510 -0.551 0.000 1.141 507 N CA 0.444 53.271 53.050 -0.373 0.000 0.851 507 N CB -0.107 38.121 38.487 -0.433 0.000 0.976 507 N HN 0.538 nan 8.380 nan 0.000 0.465 508 H N -0.930 118.124 119.070 -0.026 0.000 2.750 508 H HA 0.211 4.767 4.556 0.000 0.000 0.239 508 H C 1.312 176.619 175.328 -0.036 0.000 1.210 508 H CA -0.189 55.843 56.048 -0.027 0.000 0.936 508 H CB 0.196 29.942 29.762 -0.026 0.000 2.074 508 H HN -0.111 nan 8.280 nan 0.000 0.622 509 V N 1.397 121.324 119.914 0.022 0.000 2.490 509 V HA -0.235 3.886 4.120 0.001 0.000 0.250 509 V C 2.406 178.504 176.094 0.006 0.000 1.061 509 V CA 2.355 64.649 62.300 -0.009 0.000 1.064 509 V CB -0.148 31.643 31.823 -0.053 0.000 0.670 509 V HN 0.586 nan 8.190 nan 0.000 0.461 510 D N 0.373 120.783 120.400 0.018 0.000 2.310 510 D HA -0.226 4.414 4.640 0.001 0.000 0.212 510 D C 1.961 178.276 176.300 0.025 0.000 0.965 510 D CA 0.889 54.901 54.000 0.019 0.000 0.879 510 D CB -0.310 40.501 40.800 0.018 0.000 0.921 510 D HN 0.407 nan 8.370 nan 0.000 0.510 511 R N 0.350 120.870 120.500 0.034 0.000 2.189 511 R HA 0.148 4.488 4.340 0.001 0.000 0.218 511 R C 1.085 177.396 176.300 0.018 0.000 1.074 511 R CA 0.049 56.162 56.100 0.021 0.000 0.991 511 R CB -0.024 30.284 30.300 0.013 0.000 0.883 511 R HN 0.289 nan 8.270 nan 0.000 0.457 512 I N 2.498 123.080 120.570 0.021 0.000 2.683 512 I HA -0.103 4.068 4.170 0.001 0.000 0.286 512 I C 1.252 177.391 176.117 0.036 0.000 1.175 512 I CA 0.682 61.998 61.300 0.026 0.000 1.429 512 I CB 0.511 38.524 38.000 0.022 0.000 1.371 512 I HN -0.055 nan 8.210 nan 0.000 0.569 513 K N 4.445 124.871 120.400 0.043 0.000 2.450 513 K HA 0.257 4.577 4.320 0.001 0.000 0.206 513 K C -0.038 176.602 176.600 0.067 0.000 1.148 513 K CA 0.155 56.471 56.287 0.047 0.000 1.014 513 K CB 0.672 33.192 32.500 0.033 0.000 0.966 513 K HN 0.532 nan 8.250 nan 0.000 0.566 514 E N 0.999 121.251 120.200 0.086 0.000 2.221 514 E HA 0.317 4.667 4.350 0.001 0.000 0.268 514 E C -2.682 174.012 176.600 0.156 0.000 0.933 514 E CA -2.245 54.226 56.400 0.118 0.000 0.809 514 E CB 1.269 31.052 29.700 0.138 0.000 1.190 514 E HN -0.178 nan 8.360 nan 0.000 0.406 515 P HA 0.116 nan 4.420 nan 0.000 0.271 515 P C -1.259 176.256 177.300 0.359 0.000 1.216 515 P CA -0.345 62.925 63.100 0.282 0.000 0.776 515 P CB 0.416 32.300 31.700 0.306 0.000 0.881 516 L N 2.440 123.835 121.223 0.287 0.000 2.409 516 L HA 0.711 5.051 4.340 0.001 0.000 0.272 516 L C -1.073 175.725 176.870 -0.120 0.000 0.980 516 L CA -0.942 53.963 54.840 0.109 0.000 0.826 516 L CB 1.447 43.551 42.059 0.075 0.000 1.268 516 L HN 0.404 nan 8.230 nan 0.000 0.407 517 A N 6.403 128.902 122.820 -0.534 0.000 2.249 517 A HA 0.708 5.028 4.320 0.001 0.000 0.314 517 A C -0.948 176.486 177.584 -0.251 0.000 1.290 517 A CA -0.463 51.183 52.037 -0.652 0.000 0.893 517 A CB 0.147 18.263 19.000 -1.474 0.000 1.165 517 A HN 0.721 nan 8.150 nan 0.000 0.530 518 L N 3.588 124.768 121.223 -0.072 0.000 2.275 518 L HA 0.532 4.873 4.340 0.001 0.000 0.288 518 L C -0.530 176.375 176.870 0.059 0.000 1.046 518 L CA -0.154 54.681 54.840 -0.009 0.000 0.805 518 L CB 1.141 43.206 42.059 0.011 0.000 1.193 518 L HN 0.562 nan 8.230 nan 0.000 0.426 519 I N 2.284 122.889 120.570 0.058 0.000 2.465 519 I HA 0.409 4.579 4.170 0.001 0.000 0.291 519 I C -0.923 175.261 176.117 0.110 0.000 1.014 519 I CA -0.539 60.819 61.300 0.096 0.000 1.093 519 I CB 1.961 39.980 38.000 0.032 0.000 1.267 519 I HN 0.573 nan 8.210 nan 0.000 0.431 520 H N 5.881 124.965 119.070 0.024 0.000 3.042 520 H HA 0.356 4.912 4.556 0.000 0.000 0.345 520 H C -2.795 172.544 175.328 0.018 0.000 1.052 520 H CA -1.285 54.759 56.048 -0.007 0.000 1.311 520 H CB 2.771 32.513 29.762 -0.033 0.000 1.810 520 H HN 0.227 nan 8.280 nan 0.000 0.505 521 P HA 0.017 nan 4.420 nan 0.000 0.276 521 P C 0.276 177.658 177.300 0.136 0.000 1.243 521 P CA -0.197 62.942 63.100 0.065 0.000 0.768 521 P CB 0.956 32.670 31.700 0.022 0.000 0.856 522 Q N 2.896 122.760 119.800 0.107 0.000 2.181 522 Q HA -0.179 4.161 4.340 0.001 0.000 0.205 522 Q C 0.373 176.423 176.000 0.082 0.000 0.980 522 Q CA 1.594 57.455 55.803 0.096 0.000 0.862 522 Q CB -0.491 28.281 28.738 0.057 0.000 0.905 522 Q HN 0.274 nan 8.270 nan 0.000 0.429 523 N N 0.979 119.719 118.700 0.067 0.000 2.273 523 N HA 0.065 4.805 4.740 0.001 0.000 0.231 523 N C -0.685 174.856 175.510 0.052 0.000 1.134 523 N CA -0.117 52.961 53.050 0.048 0.000 0.856 523 N CB 0.085 38.591 38.487 0.031 0.000 1.068 523 N HN 0.245 nan 8.380 nan 0.000 0.510 524 N N 1.467 120.213 118.700 0.076 0.000 2.294 524 N HA -0.092 4.648 4.740 0.001 0.000 0.263 524 N C 0.800 176.325 175.510 0.025 0.000 1.281 524 N CA 0.532 53.625 53.050 0.071 0.000 0.846 524 N CB 0.585 39.116 38.487 0.074 0.000 1.061 524 N HN 0.194 nan 8.380 nan 0.000 0.478 525 S N 3.027 118.711 115.700 -0.027 0.000 2.554 525 S HA 0.257 4.727 4.470 0.001 0.000 0.226 525 S C 1.128 175.576 174.600 -0.253 0.000 0.980 525 S CA -0.403 57.744 58.200 -0.087 0.000 0.939 525 S CB 0.534 63.705 63.200 -0.048 0.000 0.832 525 S HN 0.589 nan 8.310 nan 0.000 0.486 526 R N 1.465 121.748 120.500 -0.362 0.000 2.102 526 R HA 0.154 4.495 4.340 0.001 0.000 0.208 526 R C 0.115 176.136 176.300 -0.464 0.000 1.131 526 R CA 1.168 56.800 56.100 -0.779 0.000 1.054 526 R CB -0.325 29.427 30.300 -0.912 0.000 0.954 526 R HN 0.502 nan 8.270 nan 0.000 0.465 527 T N 1.795 116.223 114.554 -0.210 0.000 2.947 527 T HA 0.370 4.721 4.350 0.001 0.000 0.337 527 T C -2.534 172.220 174.700 0.089 0.000 1.139 527 T CA -2.130 59.935 62.100 -0.059 0.000 0.992 527 T CB 1.627 70.496 68.868 0.003 0.000 1.043 527 T HN -0.063 nan 8.240 nan 0.000 0.498 528 P HA 0.196 nan 4.420 nan 0.000 0.276 528 P C 0.822 178.087 177.300 -0.059 0.000 1.244 528 P CA -0.786 62.324 63.100 0.017 0.000 0.801 528 P CB 1.324 33.002 31.700 -0.036 0.000 1.006 529 L N 2.121 123.292 121.223 -0.087 0.000 2.141 529 L HA -0.096 4.244 4.340 0.001 0.000 0.209 529 L C 2.570 179.303 176.870 -0.229 0.000 1.094 529 L CA 1.877 56.555 54.840 -0.270 0.000 0.763 529 L CB -1.048 40.944 42.059 -0.112 0.000 0.908 529 L HN 0.366 nan 8.230 nan 0.000 0.437 530 K N -0.156 120.165 120.400 -0.132 0.000 2.044 530 K HA -0.151 4.169 4.320 0.001 0.000 0.210 530 K C -0.621 175.906 176.600 -0.121 0.000 1.049 530 K CA 1.918 58.142 56.287 -0.105 0.000 0.927 530 K CB -1.035 31.425 32.500 -0.066 0.000 0.713 530 K HN 0.279 nan 8.250 nan 0.000 0.443 531 P HA -0.163 nan 4.420 nan 0.000 0.219 531 P C 1.258 178.456 177.300 -0.169 0.000 1.146 531 P CA 1.026 64.048 63.100 -0.131 0.000 0.808 531 P CB 0.048 31.671 31.700 -0.127 0.000 0.779 532 L N -1.198 119.884 121.223 -0.235 0.000 2.162 532 L HA -0.002 4.338 4.340 0.001 0.000 0.205 532 L C 2.393 179.139 176.870 -0.205 0.000 1.086 532 L CA 1.079 55.760 54.840 -0.265 0.000 0.778 532 L CB -0.859 40.930 42.059 -0.449 0.000 0.928 532 L HN -0.205 nan 8.230 nan 0.000 0.446 533 L N -0.539 120.580 121.223 -0.173 0.000 2.081 533 L HA -0.269 4.071 4.340 0.001 0.000 0.212 533 L C 2.717 179.521 176.870 -0.111 0.000 1.080 533 L CA 1.598 56.367 54.840 -0.117 0.000 0.754 533 L CB -0.617 41.390 42.059 -0.088 0.000 0.893 533 L HN 0.315 nan 8.230 nan 0.000 0.433 534 R N 0.208 120.638 120.500 -0.116 0.000 2.090 534 R HA -0.158 4.182 4.340 0.001 0.000 0.228 534 R C 2.304 178.525 176.300 -0.131 0.000 1.110 534 R CA 0.913 56.951 56.100 -0.103 0.000 0.973 534 R CB -0.114 30.132 30.300 -0.089 0.000 0.869 534 R HN 0.191 nan 8.270 nan 0.000 0.440 535 L N 0.674 121.798 121.223 -0.165 0.000 2.046 535 L HA -0.110 4.230 4.340 0.001 0.000 0.208 535 L C 1.999 178.695 176.870 -0.290 0.000 1.077 535 L CA 1.764 56.481 54.840 -0.205 0.000 0.747 535 L CB -0.272 41.659 42.059 -0.213 0.000 0.896 535 L HN 0.239 nan 8.230 nan 0.000 0.432 536 M N -0.771 118.646 119.600 -0.304 0.000 2.106 536 M HA -0.176 4.304 4.480 0.001 0.000 0.259 536 M C 2.178 178.345 176.300 -0.223 0.000 1.068 536 M CA 1.866 56.931 55.300 -0.392 0.000 1.100 536 M CB -1.221 31.290 32.600 -0.148 0.000 1.351 536 M HN 0.500 nan 8.290 nan 0.000 0.404 537 G N -0.044 108.682 108.800 -0.123 0.000 2.418 537 G HA2 -0.190 3.770 3.960 0.001 0.000 0.217 537 G HA3 -0.190 3.770 3.960 0.001 0.000 0.217 537 G C 1.452 176.307 174.900 -0.074 0.000 1.158 537 G CA 0.680 45.741 45.100 -0.064 0.000 0.771 537 G HN 0.361 nan 8.290 nan 0.000 0.545 538 E N 0.427 120.560 120.200 -0.112 0.000 2.072 538 E HA -0.009 4.341 4.350 0.001 0.000 0.191 538 E C 2.724 179.261 176.600 -0.105 0.000 0.985 538 E CA 0.348 56.690 56.400 -0.097 0.000 0.801 538 E CB -0.355 29.283 29.700 -0.103 0.000 0.750 538 E HN 0.431 nan 8.360 nan 0.000 0.452 539 L N 0.464 121.567 121.223 -0.200 0.000 2.042 539 L HA -0.211 4.129 4.340 0.001 0.000 0.210 539 L C 2.565 179.433 176.870 -0.004 0.000 1.076 539 L CA 0.699 55.419 54.840 -0.201 0.000 0.749 539 L CB -0.415 41.279 42.059 -0.607 0.000 0.893 539 L HN 0.143 nan 8.230 nan 0.000 0.432 540 L N 0.026 121.278 121.223 0.048 0.000 2.005 540 L HA -0.084 4.256 4.340 0.001 0.000 0.207 540 L C 2.636 179.548 176.870 0.071 0.000 1.072 540 L CA 1.995 56.925 54.840 0.151 0.000 0.744 540 L CB -0.774 41.379 42.059 0.156 0.000 0.895 540 L HN 0.122 nan 8.230 nan 0.000 0.433 541 A N -0.485 122.352 122.820 0.028 0.000 2.024 541 A HA -0.209 4.111 4.320 0.001 0.000 0.220 541 A C 2.262 179.856 177.584 0.015 0.000 1.164 541 A CA 1.865 53.910 52.037 0.015 0.000 0.643 541 A CB -0.562 18.436 19.000 -0.003 0.000 0.806 541 A HN 0.561 nan 8.150 nan 0.000 0.451 542 R N -1.672 118.837 120.500 0.015 0.000 2.393 542 R HA 0.277 4.617 4.340 0.001 0.000 0.244 542 R C 1.000 177.320 176.300 0.035 0.000 0.920 542 R CA 0.434 56.544 56.100 0.017 0.000 1.076 542 R CB 0.097 30.399 30.300 0.004 0.000 1.119 542 R HN 0.614 nan 8.270 nan 0.000 0.524 543 G N 2.106 110.939 108.800 0.054 0.000 2.221 543 G HA2 -0.270 3.690 3.960 0.001 0.000 0.265 543 G HA3 -0.270 3.690 3.960 0.001 0.000 0.265 543 G C -0.251 174.701 174.900 0.086 0.000 1.041 543 G CA 0.133 45.273 45.100 0.066 0.000 0.807 543 G HN 0.067 nan 8.290 nan 0.000 0.502 544 K N 0.597 121.065 120.400 0.113 0.000 2.144 544 K HA 0.488 4.808 4.320 0.001 0.000 0.270 544 K C 0.500 177.238 176.600 0.230 0.000 1.005 544 K CA -0.297 56.070 56.287 0.133 0.000 0.932 544 K CB 0.964 33.520 32.500 0.094 0.000 1.021 544 K HN 0.126 nan 8.250 nan 0.000 0.462 545 T N 3.941 118.611 114.554 0.192 0.000 2.761 545 T HA 0.419 4.769 4.350 0.001 0.000 0.296 545 T C 0.012 174.893 174.700 0.303 0.000 0.934 545 T CA -0.249 61.964 62.100 0.188 0.000 1.091 545 T CB -0.432 68.517 68.868 0.136 0.000 0.896 545 T HN 0.469 nan 8.240 nan 0.000 0.515 546 F N 0.473 120.447 119.950 0.039 0.000 2.685 546 F HA 0.802 5.329 4.527 0.000 0.000 0.315 546 F C -0.767 175.030 175.800 -0.004 0.000 1.126 546 F CA -1.380 56.630 58.000 0.017 0.000 0.950 546 F CB 1.611 40.596 39.000 -0.025 0.000 1.360 546 F HN 0.533 nan 8.300 nan 0.000 0.469 547 E N 1.660 121.853 120.200 -0.013 0.000 2.369 547 E HA 0.850 5.200 4.350 0.001 0.000 0.270 547 E C -1.856 174.709 176.600 -0.059 0.000 0.909 547 E CA -1.572 54.717 56.400 -0.185 0.000 0.775 547 E CB 2.425 32.069 29.700 -0.092 0.000 1.270 547 E HN 1.093 nan 8.360 nan 0.000 0.445 548 A N 2.075 124.740 122.820 -0.259 0.000 2.486 548 A HA 0.551 4.872 4.320 0.001 0.000 0.300 548 A C -1.494 175.810 177.584 -0.466 0.000 1.048 548 A CA -0.753 51.197 52.037 -0.146 0.000 0.696 548 A CB 1.369 20.419 19.000 0.083 0.000 1.278 548 A HN 0.684 nan 8.150 nan 0.000 0.405 549 H N 2.378 121.465 119.070 0.027 0.000 2.924 549 H HA 0.374 4.930 4.556 0.000 0.000 0.333 549 H C -1.220 174.132 175.328 0.040 0.000 0.979 549 H CA -0.281 55.780 56.048 0.022 0.000 1.326 549 H CB 1.394 31.157 29.762 0.001 0.000 1.600 549 H HN 0.528 nan 8.280 nan 0.000 0.520 550 I N 4.814 125.457 120.570 0.121 0.000 2.330 550 I HA 0.155 4.325 4.170 0.001 0.000 0.289 550 I C -0.146 176.026 176.117 0.091 0.000 1.001 550 I CA -0.831 60.531 61.300 0.103 0.000 1.193 550 I CB 1.100 39.138 38.000 0.063 0.000 1.345 550 I HN 0.269 nan 8.210 nan 0.000 0.461 551 I N 9.562 130.185 120.570 0.089 0.000 2.342 551 I HA 0.292 4.462 4.170 0.001 0.000 0.291 551 I C -1.928 174.221 176.117 0.054 0.000 1.010 551 I CA -2.249 59.090 61.300 0.065 0.000 1.308 551 I CB 0.599 38.634 38.000 0.059 0.000 1.400 551 I HN 0.328 nan 8.210 nan 0.000 0.488 552 P HA 0.152 nan 4.420 nan 0.000 0.276 552 P C -0.555 176.763 177.300 0.030 0.000 1.244 552 P CA -0.177 62.943 63.100 0.034 0.000 0.801 552 P CB 0.551 32.267 31.700 0.027 0.000 1.006 553 D N -1.712 118.704 120.400 0.027 0.000 2.702 553 D HA -0.159 4.481 4.640 0.001 0.000 0.233 553 D C 0.043 176.359 176.300 0.027 0.000 1.164 553 D CA 1.623 55.637 54.000 0.023 0.000 0.638 553 D CB -1.392 39.417 40.800 0.016 0.000 1.041 553 D HN 0.623 nan 8.370 nan 0.000 0.422 554 A N -1.221 121.620 122.820 0.036 0.000 2.566 554 A HA 0.902 5.223 4.320 0.001 0.000 0.292 554 A C 0.529 178.145 177.584 0.054 0.000 1.112 554 A CA -0.009 52.054 52.037 0.043 0.000 0.707 554 A CB 2.115 21.141 19.000 0.044 0.000 1.302 554 A HN 0.275 nan 8.150 nan 0.000 0.409 555 G N -1.404 107.437 108.800 0.068 0.000 3.183 555 G HA2 0.430 4.391 3.960 0.001 0.000 0.247 555 G HA3 0.430 4.391 3.960 0.001 0.000 0.247 555 G C 0.360 175.335 174.900 0.125 0.000 1.211 555 G CA 0.264 45.416 45.100 0.086 0.000 0.835 555 G HN 0.842 nan 8.290 nan 0.000 0.604 556 H N -0.195 118.913 119.070 0.063 0.000 2.353 556 H HA 0.257 4.813 4.556 0.000 0.000 0.300 556 H C 1.745 177.198 175.328 0.208 0.000 1.090 556 H CA 1.689 57.811 56.048 0.122 0.000 1.327 556 H CB -0.028 29.778 29.762 0.073 0.000 1.383 556 H HN 0.488 nan 8.280 nan 0.000 0.508 557 A N 0.781 123.747 122.820 0.243 0.000 2.279 557 A HA 0.434 4.754 4.320 0.001 0.000 0.306 557 A C -0.475 177.165 177.584 0.094 0.000 1.300 557 A CA -0.386 51.752 52.037 0.168 0.000 0.925 557 A CB -0.035 19.074 19.000 0.180 0.000 1.152 557 A HN 0.169 nan 8.150 nan 0.000 0.544 558 I N 3.890 124.487 120.570 0.045 0.000 2.312 558 I HA 0.178 4.348 4.170 0.001 0.000 0.291 558 I C 0.766 176.895 176.117 0.020 0.000 1.031 558 I CA -0.453 60.862 61.300 0.025 0.000 1.293 558 I CB 0.315 38.309 38.000 -0.010 0.000 1.403 558 I HN 0.918 nan 8.210 nan 0.000 0.484 559 N N 2.390 121.083 118.700 -0.011 0.000 2.241 559 N HA 0.071 4.812 4.740 0.001 0.000 0.238 559 N C -0.030 175.354 175.510 -0.209 0.000 1.244 559 N CA -0.037 52.957 53.050 -0.093 0.000 0.880 559 N CB 0.903 39.343 38.487 -0.078 0.000 1.179 559 N HN 0.702 nan 8.380 nan 0.000 0.513 560 T N -3.945 110.543 114.554 -0.109 0.000 2.883 560 T HA 0.368 4.718 4.350 0.001 0.000 0.301 560 T C 0.916 175.669 174.700 0.088 0.000 1.158 560 T CA -0.736 61.294 62.100 -0.117 0.000 1.007 560 T CB 1.977 70.806 68.868 -0.064 0.000 1.186 560 T HN -0.104 nan 8.240 nan 0.000 0.499 561 M N 1.279 120.994 119.600 0.192 0.000 2.080 561 M HA -0.036 4.444 4.480 0.001 0.000 0.260 561 M C 1.932 178.303 176.300 0.117 0.000 1.068 561 M CA 1.996 57.456 55.300 0.267 0.000 1.109 561 M CB -0.825 31.907 32.600 0.220 0.000 1.342 561 M HN 0.807 nan 8.290 nan 0.000 0.405 562 E N -0.231 120.011 120.200 0.070 0.000 2.051 562 E HA -0.205 4.145 4.350 0.001 0.000 0.192 562 E C 1.718 178.335 176.600 0.029 0.000 0.991 562 E CA 1.475 57.897 56.400 0.037 0.000 0.799 562 E CB -0.453 29.261 29.700 0.024 0.000 0.748 562 E HN 0.582 nan 8.360 nan 0.000 0.449 563 D N 0.754 121.174 120.400 0.032 0.000 2.144 563 D HA -0.094 4.546 4.640 0.001 0.000 0.200 563 D C 1.904 178.224 176.300 0.033 0.000 0.978 563 D CA 1.205 55.223 54.000 0.029 0.000 0.833 563 D CB -0.242 40.576 40.800 0.029 0.000 0.961 563 D HN 0.163 nan 8.370 nan 0.000 0.470 564 A N 0.576 123.429 122.820 0.056 0.000 1.933 564 A HA -0.119 4.202 4.320 0.001 0.000 0.218 564 A C 2.498 180.097 177.584 0.025 0.000 1.175 564 A CA 1.057 53.127 52.037 0.056 0.000 0.628 564 A CB -0.624 18.433 19.000 0.094 0.000 0.814 564 A HN 0.145 nan 8.150 nan 0.000 0.444 565 V N 0.209 120.128 119.914 0.008 0.000 2.358 565 V HA -0.239 3.882 4.120 0.001 0.000 0.246 565 V C 2.411 178.459 176.094 -0.078 0.000 1.047 565 V CA 2.212 64.489 62.300 -0.039 0.000 1.035 565 V CB -0.616 31.188 31.823 -0.032 0.000 0.658 565 V HN 0.521 nan 8.190 nan 0.000 0.452 566 K N 0.185 120.557 120.400 -0.047 0.000 2.097 566 K HA -0.117 4.203 4.320 0.001 0.000 0.206 566 K C 2.086 178.645 176.600 -0.070 0.000 1.049 566 K CA 1.921 58.174 56.287 -0.057 0.000 0.933 566 K CB -0.314 32.177 32.500 -0.014 0.000 0.717 566 K HN 0.682 nan 8.250 nan 0.000 0.442 567 I N -1.675 118.874 120.570 -0.035 0.000 2.716 567 I HA -0.086 4.084 4.170 0.001 0.000 0.259 567 I C 1.924 177.974 176.117 -0.112 0.000 1.172 567 I CA 0.795 62.075 61.300 -0.032 0.000 1.478 567 I CB 0.052 38.083 38.000 0.052 0.000 1.104 567 I HN -0.069 nan 8.210 nan 0.000 0.439 568 L N 0.210 121.358 121.223 -0.124 0.000 2.253 568 L HA 0.206 4.547 4.340 0.001 0.000 0.205 568 L C 1.984 178.688 176.870 -0.276 0.000 1.078 568 L CA 1.193 55.894 54.840 -0.231 0.000 0.805 568 L CB -0.522 41.483 42.059 -0.090 0.000 0.963 568 L HN 0.293 nan 8.230 nan 0.000 0.459 569 L N 0.800 121.851 121.223 -0.287 0.000 2.046 569 L HA -0.036 4.304 4.340 0.001 0.000 0.208 569 L C -0.666 175.889 176.870 -0.525 0.000 1.077 569 L CA 1.941 56.504 54.840 -0.462 0.000 0.747 569 L CB -1.581 40.168 42.059 -0.518 0.000 0.896 569 L HN 0.191 nan 8.230 nan 0.000 0.432 570 P HA -0.118 nan 4.420 nan 0.000 0.218 570 P C 1.492 178.698 177.300 -0.156 0.000 1.149 570 P CA 1.783 64.667 63.100 -0.361 0.000 0.817 570 P CB -0.192 31.062 31.700 -0.744 0.000 0.785 571 A N -0.288 122.409 122.820 -0.204 0.000 1.858 571 A HA -0.148 4.173 4.320 0.001 0.000 0.216 571 A C 2.343 179.889 177.584 -0.063 0.000 1.190 571 A CA 2.027 53.975 52.037 -0.148 0.000 0.617 571 A CB -1.672 17.159 19.000 -0.282 0.000 0.827 571 A HN 0.054 nan 8.150 nan 0.000 0.443 572 V N -0.906 118.941 119.914 -0.111 0.000 2.427 572 V HA -0.178 3.942 4.120 0.001 0.000 0.248 572 V C 2.347 178.551 176.094 0.183 0.000 1.051 572 V CA 1.571 63.854 62.300 -0.028 0.000 1.048 572 V CB -1.014 30.787 31.823 -0.036 0.000 0.666 572 V HN 0.486 nan 8.190 nan 0.000 0.456 573 F N -0.081 119.885 119.950 0.028 0.000 2.095 573 F HA -0.160 4.367 4.527 0.000 0.000 0.298 573 F C 2.279 178.143 175.800 0.108 0.000 1.104 573 F CA 1.213 59.270 58.000 0.095 0.000 1.232 573 F CB -1.315 37.800 39.000 0.193 0.000 0.987 573 F HN 0.226 nan 8.300 nan 0.000 0.475 574 F N 0.637 120.688 119.950 0.169 0.000 2.043 574 F HA -0.245 4.282 4.527 0.000 0.000 0.297 574 F C 2.238 178.024 175.800 -0.024 0.000 1.121 574 F CA 1.702 59.744 58.000 0.071 0.000 1.199 574 F CB -0.777 38.243 39.000 0.034 0.000 0.968 574 F HN -0.124 nan 8.300 nan 0.000 0.478 575 L N -0.306 120.880 121.223 -0.061 0.000 2.083 575 L HA -0.188 4.152 4.340 0.001 0.000 0.209 575 L C 2.738 179.511 176.870 -0.163 0.000 1.083 575 L CA 1.070 55.680 54.840 -0.384 0.000 0.752 575 L CB -1.078 40.620 42.059 -0.602 0.000 0.899 575 L HN 0.296 nan 8.230 nan 0.000 0.433 576 A N -0.525 122.308 122.820 0.022 0.000 1.898 576 A HA -0.182 4.138 4.320 0.001 0.000 0.216 576 A C 2.350 179.865 177.584 -0.116 0.000 1.181 576 A CA 2.219 54.265 52.037 0.015 0.000 0.620 576 A CB -0.803 18.168 19.000 -0.048 0.000 0.819 576 A HN 0.363 nan 8.150 nan 0.000 0.442 577 T N -0.041 114.430 114.554 -0.139 0.000 2.708 577 T HA -0.154 4.196 4.350 0.001 0.000 0.266 577 T C 2.082 176.687 174.700 -0.158 0.000 1.037 577 T CA 1.480 63.500 62.100 -0.133 0.000 1.146 577 T CB -0.283 68.547 68.868 -0.062 0.000 0.865 577 T HN 0.428 nan 8.240 nan 0.000 0.435 578 Q N 0.764 120.391 119.800 -0.288 0.000 2.152 578 Q HA -0.134 4.207 4.340 0.001 0.000 0.206 578 Q C 2.361 178.351 176.000 -0.018 0.000 0.985 578 Q CA 1.366 57.040 55.803 -0.215 0.000 0.863 578 Q CB -0.384 28.136 28.738 -0.364 0.000 0.904 578 Q HN 0.490 nan 8.270 nan 0.000 0.422 579 R N 0.676 121.163 120.500 -0.022 0.000 2.148 579 R HA -0.094 4.246 4.340 0.001 0.000 0.227 579 R C 1.059 177.361 176.300 0.004 0.000 1.103 579 R CA 0.833 56.974 56.100 0.067 0.000 0.983 579 R CB 0.301 30.594 30.300 -0.011 0.000 0.874 579 R HN 0.091 nan 8.270 nan 0.000 0.451 580 E N 0.573 120.749 120.200 -0.041 0.000 2.479 580 E HA 0.009 4.360 4.350 0.001 0.000 0.193 580 E C -0.195 176.391 176.600 -0.023 0.000 1.049 580 E CA 0.115 56.489 56.400 -0.043 0.000 0.870 580 E CB 0.243 29.902 29.700 -0.069 0.000 0.944 580 E HN 0.236 nan 8.360 nan 0.000 0.492 581 R N 1.438 121.932 120.500 -0.010 0.000 2.291 581 R HA 0.267 4.607 4.340 0.001 0.000 0.333 581 R C 0.747 177.052 176.300 0.008 0.000 1.082 581 R CA 0.167 56.267 56.100 0.001 0.000 0.948 581 R CB 0.193 30.498 30.300 0.009 0.000 1.009 581 R HN 0.028 nan 8.270 nan 0.000 0.460 582 R N 0.000 120.500 120.500 0.000 0.000 2.786 582 R HA 0.000 4.340 4.340 0.001 0.000 0.208 582 R CA 0.000 56.099 56.100 -0.001 0.000 0.921 582 R CB 0.000 nan 30.300 nan 0.000 0.687 582 R HN 0.000 nan 8.270 nan 0.000 0.535