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 3dh9_1_B DATA FIRST_RESID 5 DATA SEQUENCE QGSYDYDLIV IGGGSAGLAC AKEAVLNGAR VACLDFVKPT PTLGTKWGVG DATA SEQUENCE GTcVNVGcIP KKLMHQASLL GEAVHEAAAY GWNVDDKIKP DWHKLVQSVQ DATA SEQUENCE NHIKSVNWVT RVDLRDKKVE YINGLGSFVD SHTLLAKLKS GERTITAQTF DATA SEQUENCE VIAVGGRPRY PDIPGAVEYG ITSDDLFSLD REPGKTLVVG AGYIGLECAG DATA SEQUENCE FLKGLGYEPT VMVRSIVLRG FDQQMAELVA ASMEERGIPF LRKTVPLSVE DATA SEQUENCE KQDDGKLLVK YKNVETGEES EDVYDTVLWA IGRKGLVDDL NLPNAGVTVQ DATA SEQUENCE KDKIPVDSQE ATNVANIYAV GDIIYGKPEL TPVAVLAGRL LARRLYGGST DATA SEQUENCE QRMDYKDVAT TVFTPLEYAC VGLSEEDAVK QFGADEIEVF HGYYKPTEFF DATA SEQUENCE IPQKSVRYCY LKAVAERHGD QRVYGLHYIG PVAGEVIQGF AAALKSGLTI DATA SEQUENCE NTLINTVGIH PTTAEEFTRL AITKRSGLDP TP 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 5 Q HA 0.000 nan 4.340 nan 0.000 0.214 5 Q C 0.000 176.001 176.000 0.001 0.000 1.003 5 Q CA 0.000 55.824 55.803 0.035 0.000 1.022 5 Q CB 0.000 28.749 28.738 0.018 0.000 1.108 6 G N 1.565 110.354 108.800 -0.018 0.000 3.121 6 G HA2 0.051 4.011 3.960 0.000 0.000 0.133 6 G HA3 0.051 4.011 3.960 0.000 0.000 0.133 6 G C 0.500 175.321 174.900 -0.132 0.000 1.398 6 G CA 0.574 45.632 45.100 -0.071 0.000 1.037 6 G HN 0.679 nan 8.290 nan 0.000 0.644 7 S N -0.308 115.237 115.700 -0.259 0.000 2.478 7 S HA 0.363 4.833 4.470 0.000 0.000 0.222 7 S C 0.603 174.915 174.600 -0.480 0.000 1.008 7 S CA 0.044 57.966 58.200 -0.463 0.000 0.928 7 S CB -0.222 62.573 63.200 -0.674 0.000 0.781 7 S HN 0.350 nan 8.310 nan 0.000 0.518 8 Y N 1.993 122.270 120.300 -0.039 0.000 2.519 8 Y HA 0.394 4.944 4.550 0.000 0.000 0.324 8 Y C 1.166 177.011 175.900 -0.092 0.000 1.214 8 Y CA -1.158 56.927 58.100 -0.026 0.000 1.260 8 Y CB 0.639 39.117 38.460 0.029 0.000 1.311 8 Y HN -0.100 nan 8.280 nan 0.000 0.505 9 D N -0.087 120.354 120.400 0.069 0.000 2.178 9 D HA -0.145 4.495 4.640 0.000 0.000 0.201 9 D C -0.551 175.377 176.300 -0.620 0.000 0.980 9 D CA 1.835 55.665 54.000 -0.282 0.000 0.842 9 D CB -0.018 40.611 40.800 -0.285 0.000 0.948 9 D HN 0.366 nan 8.370 nan 0.000 0.472 10 Y N 0.050 120.384 120.300 0.057 0.000 2.512 10 Y HA 0.180 4.730 4.550 0.000 0.000 0.348 10 Y C 1.024 176.932 175.900 0.015 0.000 0.990 10 Y CA -1.089 57.008 58.100 -0.005 0.000 1.033 10 Y CB 1.576 39.996 38.460 -0.068 0.000 1.259 10 Y HN -0.362 nan 8.280 nan 0.000 0.461 11 D N 0.791 121.269 120.400 0.130 0.000 2.104 11 D HA -0.118 4.522 4.640 0.000 0.000 0.194 11 D C -0.176 176.192 176.300 0.113 0.000 0.994 11 D CA 1.898 55.957 54.000 0.099 0.000 0.830 11 D CB 0.328 41.076 40.800 -0.086 0.000 0.959 11 D HN 0.244 nan 8.370 nan 0.000 0.452 12 L N 0.157 121.415 121.223 0.058 0.000 2.436 12 L HA 0.409 4.749 4.340 0.000 0.000 0.268 12 L C -1.476 175.308 176.870 -0.144 0.000 0.974 12 L CA -0.453 54.384 54.840 -0.004 0.000 0.826 12 L CB 2.091 44.203 42.059 0.089 0.000 1.291 12 L HN -0.212 nan 8.230 nan 0.000 0.406 13 I N 5.397 125.773 120.570 -0.323 0.000 2.406 13 I HA 0.490 4.660 4.170 0.000 0.000 0.290 13 I C -0.761 175.290 176.117 -0.109 0.000 0.999 13 I CA -0.898 60.212 61.300 -0.316 0.000 1.124 13 I CB 1.966 39.705 38.000 -0.434 0.000 1.289 13 I HN 0.245 nan 8.210 nan 0.000 0.441 14 V N 7.361 127.253 119.914 -0.038 0.000 2.370 14 V HA 0.404 4.524 4.120 0.000 0.000 0.279 14 V C 0.124 176.257 176.094 0.065 0.000 1.029 14 V CA -0.460 61.870 62.300 0.051 0.000 0.870 14 V CB 1.477 33.324 31.823 0.040 0.000 0.984 14 V HN 0.469 nan 8.190 nan 0.000 0.451 15 I N 4.677 125.314 120.570 0.110 0.000 2.307 15 I HA 0.719 4.889 4.170 0.000 0.000 0.287 15 I C 0.683 176.860 176.117 0.100 0.000 1.054 15 I CA -0.085 61.268 61.300 0.088 0.000 1.218 15 I CB 1.054 39.096 38.000 0.070 0.000 1.398 15 I HN 0.867 nan 8.210 nan 0.000 0.475 16 G N 3.489 112.349 108.800 0.099 0.000 3.400 16 G HA2 0.072 4.032 3.960 0.000 0.000 0.679 16 G HA3 0.072 4.032 3.960 0.000 0.000 0.679 16 G C -0.125 174.832 174.900 0.094 0.000 1.239 16 G CA -0.564 44.600 45.100 0.107 0.000 1.049 16 G HN 0.896 nan 8.290 nan 0.000 0.539 17 G N 0.559 109.417 108.800 0.097 0.000 4.125 17 G HA2 0.680 4.640 3.960 0.000 0.000 0.301 17 G HA3 0.680 4.640 3.960 0.000 0.000 0.301 17 G C 0.765 175.687 174.900 0.036 0.000 1.273 17 G CA 0.859 45.991 45.100 0.054 0.000 1.095 17 G HN 1.234 nan 8.290 nan 0.000 0.582 18 G N -0.171 108.665 108.800 0.059 0.000 2.857 18 G HA2 0.403 4.363 3.960 0.000 0.000 0.217 18 G HA3 0.403 4.363 3.960 0.000 0.000 0.217 18 G C 1.179 176.102 174.900 0.038 0.000 1.357 18 G CA 0.346 45.482 45.100 0.059 0.000 1.033 18 G HN 0.121 nan 8.290 nan 0.000 0.571 19 S N -0.019 115.706 115.700 0.042 0.000 2.368 19 S HA -0.202 4.268 4.470 0.000 0.000 0.226 19 S C 2.683 177.305 174.600 0.035 0.000 1.044 19 S CA 2.007 60.226 58.200 0.031 0.000 1.062 19 S CB -0.565 62.658 63.200 0.039 0.000 0.931 19 S HN 0.786 nan 8.310 nan 0.000 0.440 20 A N 1.232 124.084 122.820 0.054 0.000 1.872 20 A HA 0.186 4.506 4.320 0.000 0.000 0.214 20 A C 2.373 179.989 177.584 0.053 0.000 1.187 20 A CA 1.588 53.661 52.037 0.059 0.000 0.614 20 A CB -1.432 17.617 19.000 0.083 0.000 0.826 20 A HN 0.521 nan 8.150 nan 0.000 0.442 21 G N -0.302 108.533 108.800 0.059 0.000 2.418 21 G HA2 -0.111 3.849 3.960 0.000 0.000 0.217 21 G HA3 -0.111 3.849 3.960 0.000 0.000 0.217 21 G C 1.361 176.278 174.900 0.029 0.000 1.158 21 G CA 1.215 46.347 45.100 0.054 0.000 0.771 21 G HN 0.324 nan 8.290 nan 0.000 0.545 22 L N 1.173 122.403 121.223 0.012 0.000 2.109 22 L HA 0.216 4.556 4.340 0.000 0.000 0.207 22 L C 3.215 180.079 176.870 -0.010 0.000 1.086 22 L CA 1.407 56.239 54.840 -0.013 0.000 0.760 22 L CB -1.095 40.942 42.059 -0.036 0.000 0.910 22 L HN 0.290 nan 8.230 nan 0.000 0.437 23 A N -1.760 121.060 122.820 -0.000 0.000 1.933 23 A HA -0.255 4.065 4.320 0.000 0.000 0.218 23 A C 2.581 180.169 177.584 0.008 0.000 1.175 23 A CA 1.689 53.726 52.037 -0.000 0.000 0.628 23 A CB -1.273 17.729 19.000 0.003 0.000 0.814 23 A HN 0.529 nan 8.150 nan 0.000 0.444 24 C N -0.958 118.353 119.300 0.019 0.000 2.473 24 C HA 0.125 4.585 4.460 0.000 0.000 0.279 24 C C 3.224 178.233 174.990 0.033 0.000 1.250 24 C CA 1.182 60.217 59.018 0.029 0.000 1.713 24 C CB -1.283 26.482 27.740 0.041 0.000 2.066 24 C HN 0.695 nan 8.230 nan 0.000 0.474 25 A N 0.385 123.217 122.820 0.021 0.000 1.903 25 A HA -0.268 4.052 4.320 0.000 0.000 0.219 25 A C 2.199 179.780 177.584 -0.005 0.000 1.191 25 A CA 2.273 54.313 52.037 0.005 0.000 0.638 25 A CB -0.693 18.303 19.000 -0.007 0.000 0.823 25 A HN 0.779 nan 8.150 nan 0.000 0.451 26 K N -1.158 119.236 120.400 -0.009 0.000 2.001 26 K HA -0.166 4.154 4.320 0.000 0.000 0.208 26 K C 2.204 178.800 176.600 -0.007 0.000 1.048 26 K CA 1.520 57.797 56.287 -0.017 0.000 0.932 26 K CB -0.156 32.330 32.500 -0.024 0.000 0.715 26 K HN 0.493 nan 8.250 nan 0.000 0.437 27 E N 1.032 121.235 120.200 0.005 0.000 2.085 27 E HA -0.177 4.173 4.350 0.000 0.000 0.194 27 E C 1.708 178.333 176.600 0.042 0.000 0.994 27 E CA 1.502 57.913 56.400 0.018 0.000 0.801 27 E CB -0.152 29.559 29.700 0.020 0.000 0.743 27 E HN 0.307 nan 8.360 nan 0.000 0.453 28 A N -0.023 122.833 122.820 0.061 0.000 1.865 28 A HA -0.175 4.145 4.320 0.000 0.000 0.217 28 A C 2.504 180.052 177.584 -0.059 0.000 1.191 28 A CA 1.859 53.946 52.037 0.085 0.000 0.623 28 A CB -0.934 18.129 19.000 0.105 0.000 0.826 28 A HN 0.197 nan 8.150 nan 0.000 0.444 29 V N -0.232 119.646 119.914 -0.061 0.000 2.392 29 V HA -0.245 3.875 4.120 0.000 0.000 0.249 29 V C 2.485 178.552 176.094 -0.045 0.000 1.059 29 V CA 1.896 64.155 62.300 -0.069 0.000 1.051 29 V CB -0.909 30.886 31.823 -0.047 0.000 0.658 29 V HN 0.563 nan 8.190 nan 0.000 0.455 30 L N 1.011 122.221 121.223 -0.022 0.000 2.079 30 L HA -0.160 4.180 4.340 0.000 0.000 0.210 30 L C 1.627 178.494 176.870 -0.004 0.000 1.081 30 L CA 2.052 56.885 54.840 -0.012 0.000 0.752 30 L CB -0.836 41.221 42.059 -0.003 0.000 0.896 30 L HN 0.411 nan 8.230 nan 0.000 0.433 31 N N -0.351 118.354 118.700 0.008 0.000 2.322 31 N HA 0.309 5.049 4.740 0.000 0.000 0.216 31 N C 0.895 176.401 175.510 -0.006 0.000 1.144 31 N CA 0.677 53.745 53.050 0.031 0.000 0.830 31 N CB 0.406 38.954 38.487 0.102 0.000 1.034 31 N HN 0.425 nan 8.380 nan 0.000 0.484 32 G N -0.691 108.077 108.800 -0.054 0.000 2.176 32 G HA2 -0.268 3.692 3.960 0.000 0.000 0.253 32 G HA3 -0.268 3.692 3.960 0.000 0.000 0.253 32 G C 0.288 175.090 174.900 -0.164 0.000 0.979 32 G CA 0.025 45.078 45.100 -0.078 0.000 0.641 32 G HN 0.569 nan 8.290 nan 0.000 0.530 33 A N 0.010 122.637 122.820 -0.322 0.000 2.351 33 A HA 0.723 5.043 4.320 0.000 0.000 0.257 33 A C 0.727 178.166 177.584 -0.241 0.000 1.087 33 A CA -0.047 51.688 52.037 -0.502 0.000 0.798 33 A CB 0.315 18.594 19.000 -1.201 0.000 1.033 33 A HN 0.475 nan 8.150 nan 0.000 0.488 34 R N 0.416 120.824 120.500 -0.153 0.000 2.216 34 R HA 0.411 4.751 4.340 0.000 0.000 0.332 34 R C -0.574 175.776 176.300 0.083 0.000 1.056 34 R CA -0.119 55.978 56.100 -0.006 0.000 0.901 34 R CB 1.054 31.364 30.300 0.015 0.000 1.039 34 R HN 0.543 nan 8.270 nan 0.000 0.456 35 V N 1.597 121.550 119.914 0.064 0.000 2.735 35 V HA 0.867 4.987 4.120 0.000 0.000 0.310 35 V C -0.979 175.017 176.094 -0.163 0.000 1.061 35 V CA -0.572 61.714 62.300 -0.023 0.000 0.913 35 V CB 1.922 33.699 31.823 -0.076 0.000 1.005 35 V HN 0.828 nan 8.190 nan 0.000 0.428 36 A N 4.681 127.209 122.820 -0.487 0.000 2.356 36 A HA 0.870 5.190 4.320 0.000 0.000 0.323 36 A C -0.576 176.863 177.584 -0.242 0.000 1.119 36 A CA -0.198 51.548 52.037 -0.485 0.000 0.790 36 A CB 1.524 19.974 19.000 -0.918 0.000 1.273 36 A HN 1.879 nan 8.150 nan 0.000 0.452 37 C N 3.091 122.330 119.300 -0.103 0.000 2.397 37 C HA 0.721 5.181 4.460 0.000 0.000 0.325 37 C C -1.244 173.785 174.990 0.066 0.000 1.201 37 C CA -0.641 58.372 59.018 -0.008 0.000 1.377 37 C CB -0.592 27.167 27.740 0.031 0.000 2.038 37 C HN 0.792 nan 8.230 nan 0.000 0.457 38 L N 4.988 126.242 121.223 0.052 0.000 2.312 38 L HA 0.614 4.955 4.340 0.000 0.000 0.281 38 L C -0.072 176.896 176.870 0.163 0.000 1.070 38 L CA 0.836 55.724 54.840 0.080 0.000 0.805 38 L CB 1.301 43.378 42.059 0.029 0.000 1.174 38 L HN 0.755 nan 8.230 nan 0.000 0.434 39 D N 1.768 122.319 120.400 0.252 0.000 2.879 39 D HA 0.578 5.218 4.640 0.000 0.000 0.236 39 D C -1.740 174.725 176.300 0.275 0.000 1.171 39 D CA -0.263 53.894 54.000 0.262 0.000 0.868 39 D CB 1.450 42.420 40.800 0.283 0.000 1.598 39 D HN 0.202 nan 8.370 nan 0.000 0.497 40 F N 3.321 123.303 119.950 0.054 0.000 2.591 40 F HA 0.581 5.108 4.527 0.000 0.000 0.309 40 F C -1.747 174.021 175.800 -0.052 0.000 1.098 40 F CA -0.647 57.352 58.000 -0.002 0.000 0.937 40 F CB 1.719 40.705 39.000 -0.023 0.000 1.250 40 F HN 0.152 nan 8.300 nan 0.000 0.447 41 V N 5.666 124.968 119.914 -1.020 0.000 2.326 41 V HA 0.299 4.419 4.120 0.000 0.000 0.281 41 V C -0.279 175.290 176.094 -0.875 0.000 1.015 41 V CA -0.988 60.830 62.300 -0.803 0.000 0.823 41 V CB 1.286 32.502 31.823 -1.011 0.000 1.009 41 V HN 0.688 nan 8.190 nan 0.000 0.436 42 K N 6.969 127.174 120.400 -0.325 0.000 2.412 42 K HA 0.274 4.594 4.320 0.000 0.000 0.284 42 K C -2.377 174.098 176.600 -0.209 0.000 1.046 42 K CA -1.115 55.124 56.287 -0.080 0.000 0.999 42 K CB 0.668 33.237 32.500 0.114 0.000 0.941 42 K HN 0.357 nan 8.250 nan 0.000 0.474 43 P HA -0.024 nan 4.420 nan 0.000 0.269 43 P C -0.771 176.523 177.300 -0.010 0.000 1.209 43 P CA -0.332 62.691 63.100 -0.128 0.000 0.776 43 P CB 0.599 32.262 31.700 -0.061 0.000 0.876 44 T N 0.864 115.458 114.554 0.066 0.000 2.932 44 T HA 0.238 4.588 4.350 0.000 0.000 0.312 44 T C -2.111 172.647 174.700 0.097 0.000 1.071 44 T CA -1.206 60.983 62.100 0.148 0.000 1.128 44 T CB -0.347 68.662 68.868 0.234 0.000 0.984 44 T HN 0.253 nan 8.240 nan 0.000 0.549 45 P HA 0.286 nan 4.420 nan 0.000 0.279 45 P C -0.462 176.848 177.300 0.018 0.000 1.252 45 P CA -0.067 63.032 63.100 -0.001 0.000 0.811 45 P CB 0.217 31.859 31.700 -0.097 0.000 1.035 46 T N 0.098 114.653 114.554 0.002 0.000 0.541 46 T HA -0.224 4.126 4.350 0.000 0.000 0.774 46 T C 1.004 175.744 174.700 0.067 0.000 0.992 46 T CA 0.477 62.593 62.100 0.027 0.000 4.077 46 T CB -1.072 67.816 68.868 0.034 0.000 2.303 46 T HN 0.665 nan 8.240 nan 0.000 0.398 47 L N 0.543 121.808 121.223 0.069 0.000 3.530 47 L HA -0.331 4.009 4.340 0.000 0.000 0.357 47 L C 1.893 178.815 176.870 0.087 0.000 2.051 47 L CA 2.065 56.959 54.840 0.088 0.000 2.804 47 L CB -1.767 40.361 42.059 0.115 0.000 1.640 47 L HN 2.280 nan 8.230 nan 0.000 0.757 48 G N 0.479 109.330 108.800 0.084 0.000 2.221 48 G HA2 -0.273 3.687 3.960 0.000 0.000 0.265 48 G HA3 -0.273 3.687 3.960 0.000 0.000 0.265 48 G C 0.195 175.140 174.900 0.076 0.000 1.041 48 G CA 0.707 45.846 45.100 0.064 0.000 0.807 48 G HN 0.463 nan 8.290 nan 0.000 0.502 49 T N 0.430 115.066 114.554 0.137 0.000 2.940 49 T HA 0.477 4.827 4.350 0.000 0.000 0.309 49 T C 0.559 175.341 174.700 0.138 0.000 1.056 49 T CA 0.961 63.186 62.100 0.210 0.000 1.137 49 T CB 0.985 70.051 68.868 0.330 0.000 0.976 49 T HN 0.987 nan 8.240 nan 0.000 0.547 50 K N 0.784 121.252 120.400 0.113 0.000 2.571 50 K HA 0.723 5.043 4.320 0.000 0.000 0.289 50 K C -1.681 174.954 176.600 0.058 0.000 1.028 50 K CA -1.310 54.806 56.287 -0.285 0.000 0.895 50 K CB 1.679 33.977 32.500 -0.337 0.000 1.534 50 K HN 0.687 nan 8.250 nan 0.000 0.421 51 W N -1.029 120.253 121.300 -0.031 0.000 2.803 51 W HA 0.671 5.331 4.660 0.000 0.000 0.424 51 W C -0.725 175.776 176.519 -0.029 0.000 1.092 51 W CA -0.873 56.463 57.345 -0.015 0.000 1.184 51 W CB -0.060 29.401 29.460 0.001 0.000 1.470 51 W HN 0.805 nan 8.180 nan 0.000 0.598 52 G N 0.330 109.318 108.800 0.313 0.000 2.583 52 G HA2 0.470 4.430 3.960 0.000 0.000 0.280 52 G HA3 0.470 4.430 3.960 0.000 0.000 0.280 52 G C -0.745 174.259 174.900 0.172 0.000 1.376 52 G CA -0.758 44.438 45.100 0.159 0.000 1.043 52 G HN 0.792 nan 8.290 nan 0.000 0.538 53 V N -0.457 119.492 119.914 0.058 0.000 3.139 53 V HA 0.446 4.566 4.120 0.000 0.000 0.307 53 V C 1.558 177.648 176.094 -0.007 0.000 1.095 53 V CA 2.071 64.348 62.300 -0.039 0.000 1.160 53 V CB 1.057 32.685 31.823 -0.324 0.000 1.003 53 V HN 2.064 nan 8.190 nan 0.000 0.489 54 G N 2.475 111.262 108.800 -0.022 0.000 2.211 54 G HA2 0.212 4.172 3.960 0.000 0.000 0.201 54 G HA3 0.212 4.172 3.960 0.000 0.000 0.201 54 G C 1.326 176.248 174.900 0.037 0.000 0.997 54 G CA 0.406 45.495 45.100 -0.017 0.000 0.652 54 G HN 2.499 nan 8.290 nan 0.000 0.500 55 G N -1.163 107.708 108.800 0.118 0.000 2.632 55 G HA2 0.050 4.010 3.960 0.000 0.000 0.224 55 G HA3 0.050 4.010 3.960 0.000 0.000 0.224 55 G C 0.828 175.798 174.900 0.117 0.000 1.341 55 G CA 0.816 46.011 45.100 0.158 0.000 0.880 55 G HN 1.197 nan 8.290 nan 0.000 0.566 56 T N -0.440 114.172 114.554 0.097 0.000 2.812 56 T HA -0.129 4.221 4.350 0.000 0.000 0.264 56 T C 2.459 177.117 174.700 -0.071 0.000 1.042 56 T CA 2.393 64.501 62.100 0.013 0.000 1.140 56 T CB -0.583 68.332 68.868 0.079 0.000 0.870 56 T HN 1.005 nan 8.240 nan 0.000 0.445 57 c N 1.327 119.910 118.600 -0.029 0.000 2.413 57 c HA -0.088 4.482 4.570 0.000 0.000 0.277 57 c C 2.752 176.773 174.090 -0.116 0.000 1.228 57 c CA 0.865 57.164 56.329 -0.050 0.000 1.731 57 c CB -1.192 41.308 42.510 -0.016 0.000 2.042 57 c HN 0.384 nan 8.230 nan 0.000 0.468 58 V N 1.607 121.458 119.914 -0.105 0.000 2.307 58 V HA -0.145 3.975 4.120 0.000 0.000 0.245 58 V C 2.307 178.282 176.094 -0.197 0.000 1.045 58 V CA 2.379 64.606 62.300 -0.122 0.000 1.024 58 V CB -0.706 31.068 31.823 -0.082 0.000 0.651 58 V HN 0.584 nan 8.190 nan 0.000 0.449 59 N N 0.099 118.636 118.700 -0.273 0.000 2.436 59 N HA 0.016 4.756 4.740 0.000 0.000 0.178 59 N C 1.195 176.349 175.510 -0.592 0.000 1.026 59 N CA 1.690 54.469 53.050 -0.453 0.000 0.880 59 N CB 0.971 39.011 38.487 -0.744 0.000 1.061 59 N HN 0.530 nan 8.380 nan 0.000 0.434 60 V N -3.257 116.313 119.914 -0.574 0.000 3.172 60 V HA 0.649 4.769 4.120 0.000 0.000 0.343 60 V C 0.531 176.518 176.094 -0.178 0.000 1.429 60 V CA -0.167 61.893 62.300 -0.400 0.000 1.149 60 V CB 0.563 32.024 31.823 -0.603 0.000 1.106 60 V HN 0.128 nan 8.190 nan 0.000 0.526 61 G N 0.002 108.633 108.800 -0.281 0.000 3.382 61 G HA2 0.210 4.171 3.960 0.000 0.000 0.183 61 G HA3 0.210 4.171 3.960 0.000 0.000 0.183 61 G C 0.986 175.771 174.900 -0.191 0.000 1.246 61 G CA 0.649 45.678 45.100 -0.118 0.000 0.828 61 G HN 0.274 nan 8.290 nan 0.000 0.728 62 c N 0.931 119.480 118.600 -0.085 0.000 2.385 62 c HA -0.065 4.505 4.570 0.000 0.000 0.275 62 c C 2.715 176.690 174.090 -0.191 0.000 1.207 62 c CA 0.545 56.828 56.329 -0.078 0.000 1.760 62 c CB -1.305 41.185 42.510 -0.034 0.000 2.051 62 c HN 0.389 nan 8.230 nan 0.000 0.467 63 I N 2.266 122.705 120.570 -0.218 0.000 2.162 63 I HA -0.051 4.119 4.170 0.000 0.000 0.238 63 I C 0.152 176.077 176.117 -0.320 0.000 1.076 63 I CA 1.389 62.562 61.300 -0.213 0.000 1.353 63 I CB -2.757 35.178 38.000 -0.109 0.000 1.063 63 I HN 0.205 nan 8.210 nan 0.000 0.408 64 P HA -0.203 nan 4.420 nan 0.000 0.218 64 P C 1.615 178.512 177.300 -0.671 0.000 1.148 64 P CA 1.532 64.244 63.100 -0.647 0.000 0.822 64 P CB -0.134 30.971 31.700 -0.991 0.000 0.784 65 K N 1.177 121.147 120.400 -0.718 0.000 2.057 65 K HA -0.187 4.133 4.320 0.000 0.000 0.207 65 K C 2.104 178.633 176.600 -0.118 0.000 1.049 65 K CA 1.762 57.947 56.287 -0.171 0.000 0.931 65 K CB -0.517 32.042 32.500 0.098 0.000 0.714 65 K HN -0.110 nan 8.250 nan 0.000 0.440 66 K N 1.036 121.300 120.400 -0.227 0.000 2.097 66 K HA -0.016 4.304 4.320 0.000 0.000 0.206 66 K C 2.247 178.745 176.600 -0.170 0.000 1.049 66 K CA 1.081 57.216 56.287 -0.253 0.000 0.933 66 K CB -0.269 32.017 32.500 -0.357 0.000 0.717 66 K HN 0.188 nan 8.250 nan 0.000 0.442 67 L N -0.242 120.849 121.223 -0.219 0.000 2.046 67 L HA -0.139 4.201 4.340 0.000 0.000 0.208 67 L C 2.480 179.230 176.870 -0.200 0.000 1.077 67 L CA 1.304 56.018 54.840 -0.210 0.000 0.747 67 L CB -0.333 41.587 42.059 -0.232 0.000 0.896 67 L HN 0.255 nan 8.230 nan 0.000 0.432 68 M N -1.702 117.729 119.600 -0.282 0.000 2.254 68 M HA -0.184 4.296 4.480 0.000 0.000 0.265 68 M C 2.327 178.526 176.300 -0.168 0.000 1.066 68 M CA 1.257 56.326 55.300 -0.386 0.000 1.123 68 M CB -0.663 31.385 32.600 -0.920 0.000 1.388 68 M HN 0.340 nan 8.290 nan 0.000 0.425 69 H N 0.279 119.276 119.070 -0.122 0.000 2.290 69 H HA -0.238 4.318 4.556 0.000 0.000 0.298 69 H C 2.133 177.489 175.328 0.046 0.000 1.087 69 H CA 2.133 58.245 56.048 0.106 0.000 1.291 69 H CB 0.112 29.953 29.762 0.131 0.000 1.369 69 H HN 0.277 nan 8.280 nan 0.000 0.492 70 Q N 0.992 120.725 119.800 -0.111 0.000 2.112 70 Q HA -0.137 4.203 4.340 0.000 0.000 0.206 70 Q C 2.355 178.281 176.000 -0.123 0.000 0.987 70 Q CA 2.132 57.838 55.803 -0.162 0.000 0.858 70 Q CB -0.623 28.037 28.738 -0.130 0.000 0.905 70 Q HN 0.536 nan 8.270 nan 0.000 0.420 71 A N -0.575 122.190 122.820 -0.091 0.000 1.908 71 A HA -0.207 4.113 4.320 0.000 0.000 0.218 71 A C 2.314 179.887 177.584 -0.018 0.000 1.181 71 A CA 2.012 54.014 52.037 -0.058 0.000 0.627 71 A CB -1.216 17.755 19.000 -0.049 0.000 0.818 71 A HN 0.479 nan 8.150 nan 0.000 0.445 72 S N -0.841 114.875 115.700 0.026 0.000 2.348 72 S HA -0.119 4.351 4.470 0.000 0.000 0.221 72 S C 1.906 176.510 174.600 0.006 0.000 1.033 72 S CA 1.471 59.714 58.200 0.072 0.000 1.010 72 S CB -0.406 62.911 63.200 0.194 0.000 0.891 72 S HN 0.289 nan 8.310 nan 0.000 0.442 73 L N 1.698 122.870 121.223 -0.085 0.000 2.043 73 L HA -0.032 4.308 4.340 0.000 0.000 0.212 73 L C 2.307 179.138 176.870 -0.065 0.000 1.075 73 L CA 1.530 56.313 54.840 -0.095 0.000 0.752 73 L CB -1.356 40.592 42.059 -0.186 0.000 0.891 73 L HN 0.398 nan 8.230 nan 0.000 0.432 74 L N -1.377 119.800 121.223 -0.078 0.000 2.141 74 L HA -0.127 4.213 4.340 0.000 0.000 0.209 74 L C 2.497 179.315 176.870 -0.087 0.000 1.094 74 L CA 1.087 55.874 54.840 -0.087 0.000 0.763 74 L CB -1.025 40.977 42.059 -0.094 0.000 0.908 74 L HN 0.378 nan 8.230 nan 0.000 0.437 75 G N -0.183 108.585 108.800 -0.054 0.000 2.446 75 G HA2 -0.266 3.694 3.960 0.000 0.000 0.217 75 G HA3 -0.266 3.694 3.960 0.000 0.000 0.217 75 G C 1.415 176.307 174.900 -0.012 0.000 1.168 75 G CA 0.700 45.772 45.100 -0.046 0.000 0.771 75 G HN 0.409 nan 8.290 nan 0.000 0.551 76 E N 0.465 120.693 120.200 0.047 0.000 2.106 76 E HA 0.010 4.360 4.350 0.000 0.000 0.192 76 E C 2.887 179.500 176.600 0.021 0.000 0.984 76 E CA 0.644 57.095 56.400 0.085 0.000 0.806 76 E CB -0.164 29.558 29.700 0.037 0.000 0.750 76 E HN 0.421 nan 8.360 nan 0.000 0.458 77 A N 0.849 123.645 122.820 -0.041 0.000 1.972 77 A HA -0.131 4.189 4.320 0.000 0.000 0.219 77 A C 2.439 179.958 177.584 -0.108 0.000 1.169 77 A CA 0.964 52.956 52.037 -0.074 0.000 0.635 77 A CB -0.466 18.470 19.000 -0.106 0.000 0.810 77 A HN 0.114 nan 8.150 nan 0.000 0.446 78 V N -0.344 119.471 119.914 -0.165 0.000 2.358 78 V HA -0.223 3.897 4.120 0.000 0.000 0.246 78 V C 2.388 178.370 176.094 -0.187 0.000 1.047 78 V CA 1.982 64.141 62.300 -0.235 0.000 1.035 78 V CB -0.973 30.650 31.823 -0.334 0.000 0.658 78 V HN 0.653 nan 8.190 nan 0.000 0.452 79 H N 0.146 119.207 119.070 -0.016 0.000 2.428 79 H HA -0.043 4.513 4.556 0.000 0.000 0.296 79 H C 2.335 177.686 175.328 0.038 0.000 1.062 79 H CA 1.447 57.500 56.048 0.008 0.000 1.350 79 H CB 0.054 29.814 29.762 -0.003 0.000 1.403 79 H HN 0.569 nan 8.280 nan 0.000 0.533 80 E N 0.684 120.971 120.200 0.146 0.000 2.150 80 E HA -0.071 4.279 4.350 0.000 0.000 0.193 80 E C 2.394 179.153 176.600 0.265 0.000 0.985 80 E CA 0.659 57.164 56.400 0.175 0.000 0.814 80 E CB 0.060 29.842 29.700 0.137 0.000 0.752 80 E HN 0.361 nan 8.360 nan 0.000 0.466 81 A N 1.582 124.492 122.820 0.149 0.000 1.940 81 A HA -0.153 4.167 4.320 0.000 0.000 0.219 81 A C 2.410 180.237 177.584 0.404 0.000 1.176 81 A CA 1.616 53.759 52.037 0.177 0.000 0.631 81 A CB -0.617 18.310 19.000 -0.121 0.000 0.814 81 A HN 0.299 nan 8.150 nan 0.000 0.446 82 A N -0.149 122.836 122.820 0.275 0.000 1.978 82 A HA 0.125 4.445 4.320 0.000 0.000 0.220 82 A C 2.421 180.137 177.584 0.220 0.000 1.170 82 A CA 1.998 54.181 52.037 0.244 0.000 0.636 82 A CB -0.883 18.217 19.000 0.166 0.000 0.810 82 A HN 1.112 nan 8.150 nan 0.000 0.448 83 A N -1.990 120.962 122.820 0.220 0.000 2.067 83 A HA -0.013 4.307 4.320 0.000 0.000 0.219 83 A C 1.748 179.333 177.584 0.002 0.000 1.158 83 A CA 1.178 53.261 52.037 0.077 0.000 0.661 83 A CB -0.618 18.389 19.000 0.012 0.000 0.801 83 A HN 0.617 nan 8.150 nan 0.000 0.452 84 Y N -1.148 119.246 120.300 0.156 0.000 2.466 84 Y HA 0.348 4.898 4.550 0.000 0.000 0.272 84 Y C 1.779 177.723 175.900 0.074 0.000 1.169 84 Y CA 0.458 58.649 58.100 0.151 0.000 1.285 84 Y CB 0.345 38.962 38.460 0.263 0.000 1.078 84 Y HN 0.432 nan 8.280 nan 0.000 0.523 85 G N -1.478 107.428 108.800 0.177 0.000 2.176 85 G HA2 -0.265 3.695 3.960 0.000 0.000 0.232 85 G HA3 -0.265 3.695 3.960 0.000 0.000 0.232 85 G C -0.178 174.733 174.900 0.018 0.000 0.986 85 G CA -0.534 44.595 45.100 0.049 0.000 0.643 85 G HN 0.262 nan 8.290 nan 0.000 0.522 86 W N 1.554 122.907 121.300 0.088 0.000 2.190 86 W HA 0.507 5.167 4.660 0.000 0.000 0.330 86 W C 1.065 177.607 176.519 0.040 0.000 1.299 86 W CA 0.022 57.399 57.345 0.053 0.000 1.215 86 W CB 0.503 29.989 29.460 0.044 0.000 1.147 86 W HN 0.292 nan 8.180 nan 0.000 0.563 87 N N 2.140 120.999 118.700 0.264 0.000 2.597 87 N HA 0.056 4.796 4.740 0.000 0.000 0.269 87 N C -0.595 175.003 175.510 0.146 0.000 1.204 87 N CA -0.298 52.845 53.050 0.154 0.000 0.947 87 N CB -0.885 37.657 38.487 0.092 0.000 1.258 87 N HN 0.218 nan 8.380 nan 0.000 0.508 88 V N -1.969 118.042 119.914 0.162 0.000 2.811 88 V HA 0.245 4.365 4.120 0.000 0.000 0.302 88 V C 0.328 176.460 176.094 0.064 0.000 1.063 88 V CA -0.803 61.550 62.300 0.089 0.000 1.088 88 V CB 0.818 32.667 31.823 0.044 0.000 0.982 88 V HN 0.192 nan 8.190 nan 0.000 0.485 89 D N 2.767 123.189 120.400 0.037 0.000 2.345 89 D HA 0.148 4.788 4.640 0.000 0.000 0.247 89 D C 0.598 176.922 176.300 0.040 0.000 1.108 89 D CA -0.088 53.934 54.000 0.037 0.000 0.894 89 D CB 1.721 42.537 40.800 0.026 0.000 1.203 89 D HN 0.727 nan 8.370 nan 0.000 0.430 90 D N 1.835 122.278 120.400 0.072 0.000 2.103 90 D HA -0.106 4.534 4.640 0.000 0.000 0.199 90 D C 0.362 176.748 176.300 0.144 0.000 0.978 90 D CA 0.978 55.058 54.000 0.134 0.000 0.829 90 D CB 0.099 40.968 40.800 0.116 0.000 0.981 90 D HN 0.272 nan 8.370 nan 0.000 0.464 91 K N 1.113 121.560 120.400 0.080 0.000 2.095 91 K HA 0.168 4.488 4.320 0.000 0.000 0.258 91 K C -0.209 176.416 176.600 0.042 0.000 1.120 91 K CA -0.020 56.304 56.287 0.062 0.000 1.026 91 K CB -0.527 31.994 32.500 0.036 0.000 1.256 91 K HN 0.186 nan 8.250 nan 0.000 0.360 92 I N -0.911 119.689 120.570 0.049 0.000 2.569 92 I HA 0.608 4.778 4.170 0.000 0.000 0.296 92 I C -0.771 175.357 176.117 0.018 0.000 1.028 92 I CA -0.880 60.422 61.300 0.004 0.000 1.082 92 I CB 1.948 39.908 38.000 -0.066 0.000 1.264 92 I HN 0.035 nan 8.210 nan 0.000 0.429 93 K N 4.839 125.239 120.400 0.001 0.000 2.498 93 K HA 0.629 4.949 4.320 0.000 0.000 0.254 93 K C -2.829 173.769 176.600 -0.003 0.000 0.933 93 K CA -1.415 54.868 56.287 -0.006 0.000 0.806 93 K CB 2.594 35.088 32.500 -0.011 0.000 1.301 93 K HN 0.724 nan 8.250 nan 0.000 0.432 94 P HA 0.307 nan 4.420 nan 0.000 0.284 94 P C -1.036 176.299 177.300 0.059 0.000 1.258 94 P CA -0.383 62.733 63.100 0.027 0.000 0.824 94 P CB 1.003 32.733 31.700 0.051 0.000 1.038 95 D N 1.917 122.357 120.400 0.068 0.000 2.396 95 D HA 0.000 4.640 4.640 0.000 0.000 0.225 95 D C 1.009 177.380 176.300 0.118 0.000 1.121 95 D CA -0.499 53.559 54.000 0.097 0.000 0.853 95 D CB 0.390 41.237 40.800 0.080 0.000 1.043 95 D HN 0.470 nan 8.370 nan 0.000 0.500 96 W N 5.296 126.570 121.300 -0.044 0.000 2.321 96 W HA -0.257 4.403 4.660 0.000 0.000 0.306 96 W C 1.141 177.606 176.519 -0.090 0.000 1.217 96 W CA 1.259 58.565 57.345 -0.065 0.000 1.257 96 W CB 0.021 29.421 29.460 -0.100 0.000 1.145 96 W HN 0.631 nan 8.180 nan 0.000 0.509 97 H N 0.326 119.451 119.070 0.093 0.000 2.353 97 H HA -0.108 4.448 4.556 0.000 0.000 0.300 97 H C 2.157 177.423 175.328 -0.103 0.000 1.090 97 H CA 1.708 57.739 56.048 -0.029 0.000 1.327 97 H CB -0.572 29.236 29.762 0.078 0.000 1.383 97 H HN 0.209 nan 8.280 nan 0.000 0.508 98 K N 0.138 120.566 120.400 0.047 0.000 2.057 98 K HA -0.105 4.215 4.320 0.000 0.000 0.206 98 K C 2.219 178.763 176.600 -0.093 0.000 1.050 98 K CA 0.712 56.993 56.287 -0.011 0.000 0.935 98 K CB -0.112 32.393 32.500 0.008 0.000 0.715 98 K HN -0.002 nan 8.250 nan 0.000 0.439 99 L N 0.864 121.996 121.223 -0.152 0.000 1.994 99 L HA -0.149 4.191 4.340 0.000 0.000 0.208 99 L C 1.987 178.664 176.870 -0.321 0.000 1.071 99 L CA 1.529 56.237 54.840 -0.221 0.000 0.745 99 L CB -0.579 41.346 42.059 -0.224 0.000 0.892 99 L HN -0.106 nan 8.230 nan 0.000 0.431 100 V N -0.060 119.538 119.914 -0.527 0.000 2.324 100 V HA -0.397 3.723 4.120 0.000 0.000 0.250 100 V C 2.683 178.650 176.094 -0.213 0.000 1.060 100 V CA 2.234 64.258 62.300 -0.460 0.000 1.042 100 V CB -0.696 30.793 31.823 -0.558 0.000 0.650 100 V HN 0.704 nan 8.190 nan 0.000 0.450 101 Q N -0.400 119.310 119.800 -0.150 0.000 2.050 101 Q HA -0.206 4.134 4.340 0.000 0.000 0.202 101 Q C 2.374 178.333 176.000 -0.069 0.000 0.980 101 Q CA 2.255 58.013 55.803 -0.076 0.000 0.840 101 Q CB -0.140 28.573 28.738 -0.041 0.000 0.898 101 Q HN 0.647 nan 8.270 nan 0.000 0.424 102 S N -0.394 115.256 115.700 -0.083 0.000 2.382 102 S HA -0.117 4.353 4.470 0.000 0.000 0.228 102 S C 1.930 176.493 174.600 -0.061 0.000 1.027 102 S CA 1.189 59.349 58.200 -0.067 0.000 0.991 102 S CB -0.156 62.994 63.200 -0.083 0.000 0.823 102 S HN 0.246 nan 8.310 nan 0.000 0.469 103 V N 1.962 121.815 119.914 -0.101 0.000 2.270 103 V HA -0.153 3.967 4.120 0.000 0.000 0.245 103 V C 2.630 178.698 176.094 -0.043 0.000 1.043 103 V CA 1.454 63.699 62.300 -0.093 0.000 1.014 103 V CB -0.601 31.128 31.823 -0.158 0.000 0.645 103 V HN 0.402 nan 8.190 nan 0.000 0.447 104 Q N -0.002 119.766 119.800 -0.054 0.000 2.124 104 Q HA -0.159 4.181 4.340 0.000 0.000 0.202 104 Q C 2.173 178.166 176.000 -0.013 0.000 0.977 104 Q CA 1.283 57.070 55.803 -0.027 0.000 0.850 104 Q CB -0.696 28.032 28.738 -0.016 0.000 0.901 104 Q HN 0.621 nan 8.270 nan 0.000 0.429 105 N N 0.408 119.102 118.700 -0.010 0.000 2.069 105 N HA -0.183 4.557 4.740 0.000 0.000 0.191 105 N C 1.673 177.195 175.510 0.019 0.000 1.031 105 N CA 1.189 54.239 53.050 -0.001 0.000 0.852 105 N CB -0.659 37.825 38.487 -0.005 0.000 1.018 105 N HN 0.468 nan 8.380 nan 0.000 0.423 106 H N 0.594 119.631 119.070 -0.055 0.000 2.321 106 H HA -0.004 4.552 4.556 0.000 0.000 0.300 106 H C 2.072 177.373 175.328 -0.044 0.000 1.087 106 H CA 1.303 57.319 56.048 -0.053 0.000 1.319 106 H CB -0.078 29.637 29.762 -0.078 0.000 1.379 106 H HN 0.150 nan 8.280 nan 0.000 0.501 107 I N 0.977 121.471 120.570 -0.126 0.000 2.226 107 I HA -0.259 3.911 4.170 0.000 0.000 0.245 107 I C 2.511 178.561 176.117 -0.112 0.000 1.100 107 I CA 1.026 62.227 61.300 -0.165 0.000 1.374 107 I CB -0.131 37.814 38.000 -0.091 0.000 1.057 107 I HN 0.188 nan 8.210 nan 0.000 0.413 108 K N 0.492 120.861 120.400 -0.051 0.000 2.097 108 K HA -0.072 4.248 4.320 0.000 0.000 0.205 108 K C 2.246 178.851 176.600 0.008 0.000 1.050 108 K CA 1.290 57.577 56.287 -0.001 0.000 0.938 108 K CB -0.421 32.086 32.500 0.010 0.000 0.718 108 K HN 0.239 nan 8.250 nan 0.000 0.442 109 S N 1.258 116.934 115.700 -0.040 0.000 2.370 109 S HA -0.100 4.371 4.470 0.000 0.000 0.226 109 S C 2.237 176.827 174.600 -0.018 0.000 1.033 109 S CA 1.218 59.413 58.200 -0.008 0.000 1.011 109 S CB -0.249 62.931 63.200 -0.033 0.000 0.852 109 S HN 0.036 nan 8.310 nan 0.000 0.457 110 V N 2.833 122.648 119.914 -0.164 0.000 2.453 110 V HA -0.114 4.006 4.120 0.000 0.000 0.247 110 V C 2.109 178.160 176.094 -0.073 0.000 1.048 110 V CA 1.260 63.462 62.300 -0.164 0.000 1.049 110 V CB -0.776 30.879 31.823 -0.281 0.000 0.672 110 V HN 0.413 nan 8.190 nan 0.000 0.457 111 N N -0.290 118.391 118.700 -0.031 0.000 2.061 111 N HA -0.248 4.492 4.740 0.000 0.000 0.193 111 N C 1.624 177.161 175.510 0.046 0.000 1.030 111 N CA 2.006 55.063 53.050 0.013 0.000 0.856 111 N CB -0.434 38.096 38.487 0.072 0.000 1.023 111 N HN 0.728 nan 8.380 nan 0.000 0.424 112 W N 1.842 123.106 121.300 -0.060 0.000 2.379 112 W HA -0.100 4.560 4.660 0.000 0.000 0.307 112 W C 1.595 178.085 176.519 -0.048 0.000 1.200 112 W CA 0.844 58.163 57.345 -0.042 0.000 1.297 112 W CB -0.237 29.203 29.460 -0.032 0.000 1.140 112 W HN -0.183 nan 8.180 nan 0.000 0.507 113 V N 1.451 121.308 119.914 -0.095 0.000 2.490 113 V HA -0.320 3.800 4.120 0.000 0.000 0.250 113 V C 2.306 178.257 176.094 -0.237 0.000 1.061 113 V CA 2.449 64.634 62.300 -0.192 0.000 1.064 113 V CB -1.340 30.445 31.823 -0.062 0.000 0.670 113 V HN 0.180 nan 8.190 nan 0.000 0.461 114 T N -0.575 113.864 114.554 -0.191 0.000 2.777 114 T HA -0.215 4.135 4.350 0.000 0.000 0.266 114 T C 2.051 176.592 174.700 -0.264 0.000 1.040 114 T CA 1.690 63.673 62.100 -0.194 0.000 1.141 114 T CB -0.222 68.551 68.868 -0.158 0.000 0.868 114 T HN 0.394 nan 8.240 nan 0.000 0.444 115 R N 0.542 120.848 120.500 -0.323 0.000 2.073 115 R HA -0.081 4.259 4.340 0.000 0.000 0.234 115 R C 2.375 178.434 176.300 -0.401 0.000 1.134 115 R CA 1.238 57.122 56.100 -0.359 0.000 0.952 115 R CB -0.589 29.515 30.300 -0.327 0.000 0.850 115 R HN 0.205 nan 8.270 nan 0.000 0.433 116 V N 1.314 120.868 119.914 -0.600 0.000 2.332 116 V HA -0.258 3.862 4.120 0.000 0.000 0.248 116 V C 1.912 177.841 176.094 -0.274 0.000 1.055 116 V CA 2.285 64.279 62.300 -0.510 0.000 1.038 116 V CB -0.584 30.874 31.823 -0.610 0.000 0.651 116 V HN 0.467 nan 8.190 nan 0.000 0.450 117 D N -0.359 119.899 120.400 -0.237 0.000 2.144 117 D HA -0.128 4.512 4.640 0.000 0.000 0.200 117 D C 2.022 178.245 176.300 -0.127 0.000 0.978 117 D CA 1.168 55.076 54.000 -0.153 0.000 0.833 117 D CB -0.110 40.611 40.800 -0.133 0.000 0.961 117 D HN 0.392 nan 8.370 nan 0.000 0.470 118 L N -0.135 121.001 121.223 -0.146 0.000 2.017 118 L HA -0.090 4.250 4.340 0.000 0.000 0.208 118 L C 2.790 179.621 176.870 -0.065 0.000 1.073 118 L CA 1.021 55.800 54.840 -0.102 0.000 0.745 118 L CB -0.488 41.498 42.059 -0.121 0.000 0.894 118 L HN 0.024 nan 8.230 nan 0.000 0.432 119 R N 0.295 120.749 120.500 -0.076 0.000 2.080 119 R HA -0.210 4.130 4.340 0.000 0.000 0.236 119 R C 1.938 178.208 176.300 -0.051 0.000 1.137 119 R CA 2.205 58.275 56.100 -0.051 0.000 0.943 119 R CB -0.314 29.946 30.300 -0.067 0.000 0.846 119 R HN 0.328 nan 8.270 nan 0.000 0.431 120 D N 0.419 120.776 120.400 -0.072 0.000 2.133 120 D HA -0.156 4.484 4.640 0.000 0.000 0.195 120 D C 1.367 177.642 176.300 -0.042 0.000 0.997 120 D CA 1.464 55.431 54.000 -0.055 0.000 0.840 120 D CB -0.042 40.720 40.800 -0.064 0.000 0.947 120 D HN 0.304 nan 8.370 nan 0.000 0.452 121 K N 0.159 120.532 120.400 -0.046 0.000 2.444 121 K HA 0.074 4.394 4.320 0.000 0.000 0.193 121 K C 0.159 176.741 176.600 -0.028 0.000 1.024 121 K CA 0.011 56.276 56.287 -0.037 0.000 1.077 121 K CB 0.345 32.819 32.500 -0.042 0.000 0.833 121 K HN 0.012 nan 8.250 nan 0.000 0.517 122 K N -0.323 120.064 120.400 -0.023 0.000 3.230 122 K HA -0.139 4.181 4.320 0.000 0.000 0.285 122 K C -0.613 175.985 176.600 -0.004 0.000 1.196 122 K CA 0.323 56.604 56.287 -0.009 0.000 0.838 122 K CB -2.139 30.356 32.500 -0.008 0.000 1.262 122 K HN -0.051 nan 8.250 nan 0.000 0.492 123 V N 1.673 121.580 119.914 -0.011 0.000 2.488 123 V HA 0.049 4.169 4.120 0.000 0.000 0.277 123 V C 0.835 176.938 176.094 0.016 0.000 1.046 123 V CA -0.243 62.052 62.300 -0.008 0.000 0.986 123 V CB 1.389 33.201 31.823 -0.018 0.000 0.989 123 V HN 0.200 nan 8.190 nan 0.000 0.475 124 E N 4.471 124.675 120.200 0.007 0.000 2.070 124 E HA 0.134 4.484 4.350 0.000 0.000 0.282 124 E C -1.187 175.438 176.600 0.042 0.000 1.104 124 E CA -0.570 55.843 56.400 0.021 0.000 0.876 124 E CB 0.454 30.162 29.700 0.014 0.000 1.055 124 E HN 0.624 nan 8.360 nan 0.000 0.401 125 Y N 5.887 126.157 120.300 -0.050 0.000 2.327 125 Y HA 0.387 4.937 4.550 0.000 0.000 0.336 125 Y C -1.068 174.815 175.900 -0.029 0.000 1.035 125 Y CA -1.018 57.055 58.100 -0.045 0.000 1.165 125 Y CB 0.490 38.926 38.460 -0.041 0.000 1.181 125 Y HN 0.415 nan 8.280 nan 0.000 0.494 126 I N 7.179 127.561 120.570 -0.313 0.000 2.382 126 I HA 0.196 4.366 4.170 0.000 0.000 0.286 126 I C -0.151 175.716 176.117 -0.416 0.000 1.002 126 I CA -0.508 60.574 61.300 -0.363 0.000 1.135 126 I CB 1.306 39.212 38.000 -0.157 0.000 1.288 126 I HN 0.682 nan 8.210 nan 0.000 0.448 127 N N 6.221 124.623 118.700 -0.496 0.000 2.807 127 N HA 0.403 5.143 4.740 0.000 0.000 0.259 127 N C -0.474 175.056 175.510 0.033 0.000 1.149 127 N CA -0.026 52.893 53.050 -0.219 0.000 1.042 127 N CB 0.435 38.801 38.487 -0.202 0.000 1.367 127 N HN 0.888 nan 8.380 nan 0.000 0.516 128 G N 1.615 110.464 108.800 0.083 0.000 2.673 128 G HA2 0.328 4.288 3.960 0.000 0.000 0.292 128 G HA3 0.328 4.288 3.960 0.000 0.000 0.292 128 G C -1.888 173.004 174.900 -0.013 0.000 1.450 128 G CA -0.709 44.386 45.100 -0.007 0.000 0.837 128 G HN 0.360 nan 8.290 nan 0.000 0.505 129 L N 1.661 122.770 121.223 -0.190 0.000 2.264 129 L HA 0.727 5.067 4.340 0.000 0.000 0.289 129 L C 0.787 177.586 176.870 -0.118 0.000 1.044 129 L CA -0.130 54.615 54.840 -0.158 0.000 0.807 129 L CB 1.009 42.854 42.059 -0.357 0.000 1.192 129 L HN 0.693 nan 8.230 nan 0.000 0.425 130 G N 3.031 111.785 108.800 -0.076 0.000 2.356 130 G HA2 0.555 4.515 3.960 0.000 0.000 0.298 130 G HA3 0.555 4.515 3.960 0.000 0.000 0.298 130 G C -0.934 173.876 174.900 -0.150 0.000 1.145 130 G CA -0.067 44.961 45.100 -0.120 0.000 0.850 130 G HN 0.751 nan 8.290 nan 0.000 0.487 131 S N 0.832 116.422 115.700 -0.183 0.000 2.549 131 S HA 0.681 5.151 4.470 0.000 0.000 0.280 131 S C -0.838 173.622 174.600 -0.234 0.000 1.109 131 S CA -0.875 57.229 58.200 -0.161 0.000 0.905 131 S CB 1.453 64.617 63.200 -0.061 0.000 1.081 131 S HN 0.318 nan 8.310 nan 0.000 0.477 132 F N 1.405 121.282 119.950 -0.122 0.000 2.429 132 F HA 0.361 4.888 4.527 0.000 0.000 0.348 132 F C 1.399 177.133 175.800 -0.111 0.000 1.109 132 F CA -0.067 57.824 58.000 -0.183 0.000 1.232 132 F CB 1.095 39.951 39.000 -0.241 0.000 1.157 132 F HN 0.452 nan 8.300 nan 0.000 0.564 133 V N 0.472 120.447 119.914 0.101 0.000 2.690 133 V HA 0.050 4.170 4.120 0.000 0.000 0.240 133 V C -0.202 175.940 176.094 0.080 0.000 1.078 133 V CA 1.070 63.413 62.300 0.073 0.000 1.102 133 V CB -0.045 31.816 31.823 0.063 0.000 0.800 133 V HN 0.867 nan 8.190 nan 0.000 0.479 134 D N -2.396 118.065 120.400 0.102 0.000 2.812 134 D HA 0.149 4.789 4.640 0.000 0.000 0.318 134 D C 0.855 177.166 176.300 0.018 0.000 1.234 134 D CA 0.347 54.380 54.000 0.054 0.000 0.989 134 D CB 0.642 41.487 40.800 0.075 0.000 1.442 134 D HN -0.024 nan 8.370 nan 0.000 0.537 135 S N -1.770 113.886 115.700 -0.074 0.000 2.547 135 S HA -0.105 4.366 4.470 0.000 0.000 0.235 135 S C 0.524 175.003 174.600 -0.203 0.000 0.980 135 S CA 0.985 59.042 58.200 -0.238 0.000 0.941 135 S CB -0.681 62.373 63.200 -0.243 0.000 0.763 135 S HN 0.562 nan 8.310 nan 0.000 0.532 136 H N -0.397 118.763 119.070 0.151 0.000 3.058 136 H HA 0.338 4.895 4.556 0.000 0.000 0.266 136 H C -0.405 175.175 175.328 0.419 0.000 1.135 136 H CA 0.253 56.468 56.048 0.278 0.000 1.174 136 H CB 1.181 30.962 29.762 0.033 0.000 1.581 136 H HN 0.325 nan 8.280 nan 0.000 0.553 137 T N 1.097 115.870 114.554 0.365 0.000 2.861 137 T HA 0.470 4.820 4.350 0.000 0.000 0.287 137 T C -1.230 173.553 174.700 0.139 0.000 1.003 137 T CA -0.606 61.675 62.100 0.303 0.000 0.977 137 T CB 2.374 71.367 68.868 0.209 0.000 0.996 137 T HN -0.051 nan 8.240 nan 0.000 0.448 138 L N 3.116 124.427 121.223 0.147 0.000 2.386 138 L HA 0.735 5.075 4.340 0.000 0.000 0.271 138 L C -1.393 175.477 176.870 -0.001 0.000 0.993 138 L CA -0.997 53.811 54.840 -0.054 0.000 0.819 138 L CB 1.838 43.891 42.059 -0.011 0.000 1.294 138 L HN 0.614 nan 8.230 nan 0.000 0.414 139 L N 4.708 125.899 121.223 -0.053 0.000 2.289 139 L HA 0.835 5.175 4.340 0.000 0.000 0.285 139 L C -0.446 176.387 176.870 -0.062 0.000 1.049 139 L CA 0.019 54.838 54.840 -0.035 0.000 0.804 139 L CB 1.262 43.302 42.059 -0.032 0.000 1.195 139 L HN 0.730 nan 8.230 nan 0.000 0.428 140 A N 5.528 128.320 122.820 -0.046 0.000 2.273 140 A HA 0.437 4.757 4.320 0.000 0.000 0.315 140 A C -0.450 177.086 177.584 -0.081 0.000 1.256 140 A CA -0.704 51.294 52.037 -0.064 0.000 0.851 140 A CB 0.370 19.343 19.000 -0.044 0.000 1.172 140 A HN 0.670 nan 8.150 nan 0.000 0.508 141 K N 4.247 124.572 120.400 -0.125 0.000 2.264 141 K HA 0.496 4.816 4.320 0.000 0.000 0.277 141 K C -1.024 175.469 176.600 -0.179 0.000 1.067 141 K CA -0.192 56.004 56.287 -0.151 0.000 0.900 141 K CB 0.216 32.600 32.500 -0.194 0.000 1.124 141 K HN 0.714 nan 8.250 nan 0.000 0.469 142 L N 2.921 124.076 121.223 -0.113 0.000 2.400 142 L HA 0.315 4.655 4.340 0.000 0.000 0.264 142 L C 1.766 178.596 176.870 -0.066 0.000 1.061 142 L CA -0.842 53.949 54.840 -0.081 0.000 0.799 142 L CB 0.444 42.473 42.059 -0.051 0.000 1.240 142 L HN 0.464 nan 8.230 nan 0.000 0.461 143 K N 0.488 120.881 120.400 -0.012 0.000 2.063 143 K HA -0.147 4.173 4.320 0.000 0.000 0.208 143 K C 1.772 178.367 176.600 -0.008 0.000 1.048 143 K CA 1.964 58.257 56.287 0.009 0.000 0.928 143 K CB -0.073 32.454 32.500 0.045 0.000 0.713 143 K HN 0.875 nan 8.250 nan 0.000 0.442 144 S N -0.905 114.788 115.700 -0.012 0.000 2.365 144 S HA 0.075 4.545 4.470 0.000 0.000 0.194 144 S C 1.608 176.195 174.600 -0.022 0.000 1.093 144 S CA 0.518 58.711 58.200 -0.013 0.000 1.224 144 S CB -0.792 62.402 63.200 -0.010 0.000 0.961 144 S HN 0.341 nan 8.310 nan 0.000 0.412 145 G N 0.208 108.994 108.800 -0.024 0.000 3.341 145 G HA2 0.670 4.630 3.960 0.000 0.000 0.177 145 G HA3 0.670 4.630 3.960 0.000 0.000 0.177 145 G C -1.188 173.690 174.900 -0.036 0.000 1.236 145 G CA -0.624 44.461 45.100 -0.026 0.000 0.888 145 G HN 0.501 nan 8.290 nan 0.000 0.644 146 E N -1.198 118.984 120.200 -0.028 0.000 2.340 146 E HA 0.481 4.831 4.350 0.000 0.000 0.273 146 E C 0.322 176.913 176.600 -0.016 0.000 0.891 146 E CA -0.702 55.679 56.400 -0.032 0.000 0.757 146 E CB 3.303 32.984 29.700 -0.032 0.000 1.231 146 E HN 0.399 nan 8.360 nan 0.000 0.439 147 R N 0.369 120.862 120.500 -0.012 0.000 2.013 147 R HA 0.168 4.508 4.340 0.000 0.000 0.198 147 R C -0.704 175.612 176.300 0.027 0.000 1.407 147 R CA 1.134 57.241 56.100 0.010 0.000 1.140 147 R CB 0.490 30.801 30.300 0.019 0.000 1.011 147 R HN 0.601 nan 8.270 nan 0.000 0.472 148 T N 1.377 115.952 114.554 0.035 0.000 2.676 148 T HA -0.026 4.324 4.350 0.000 0.000 0.495 148 T C -0.507 174.255 174.700 0.105 0.000 0.810 148 T CA 0.725 62.862 62.100 0.062 0.000 2.623 148 T CB -1.862 67.038 68.868 0.053 0.000 1.737 148 T HN 0.491 nan 8.240 nan 0.000 0.599 149 I N -1.104 119.554 120.570 0.146 0.000 2.892 149 I HA 0.936 5.106 4.170 0.000 0.000 0.306 149 I C 0.194 176.475 176.117 0.274 0.000 1.078 149 I CA -1.175 60.254 61.300 0.214 0.000 1.032 149 I CB 2.767 40.931 38.000 0.274 0.000 1.229 149 I HN 0.494 nan 8.210 nan 0.000 0.435 150 T N 0.768 115.499 114.554 0.295 0.000 2.893 150 T HA 0.926 5.276 4.350 0.000 0.000 0.291 150 T C -0.527 174.315 174.700 0.236 0.000 1.028 150 T CA -0.700 61.597 62.100 0.329 0.000 0.995 150 T CB 1.967 71.078 68.868 0.404 0.000 1.051 150 T HN 1.211 nan 8.240 nan 0.000 0.470 151 A N 1.188 124.011 122.820 0.004 0.000 2.609 151 A HA 0.673 4.993 4.320 0.000 0.000 0.291 151 A C 0.704 178.041 177.584 -0.413 0.000 1.096 151 A CA -0.654 51.293 52.037 -0.150 0.000 0.684 151 A CB 1.603 20.395 19.000 -0.347 0.000 1.282 151 A HN 0.802 nan 8.150 nan 0.000 0.412 152 Q N 0.329 120.024 119.800 -0.175 0.000 2.079 152 Q HA 0.031 4.371 4.340 0.000 0.000 0.200 152 Q C 0.789 176.845 176.000 0.093 0.000 0.974 152 Q CA 2.546 58.332 55.803 -0.029 0.000 0.840 152 Q CB 0.048 28.937 28.738 0.252 0.000 0.898 152 Q HN 1.019 nan 8.270 nan 0.000 0.430 153 T N -0.980 113.584 114.554 0.016 0.000 2.886 153 T HA 0.579 4.929 4.350 0.000 0.000 0.292 153 T C -1.311 173.346 174.700 -0.072 0.000 1.012 153 T CA -0.801 61.352 62.100 0.089 0.000 0.982 153 T CB 0.409 69.395 68.868 0.197 0.000 1.018 153 T HN 0.064 nan 8.240 nan 0.000 0.451 154 F N 2.876 122.940 119.950 0.190 0.000 2.469 154 F HA 0.695 5.222 4.527 0.000 0.000 0.332 154 F C -0.103 175.850 175.800 0.255 0.000 1.103 154 F CA -0.771 57.356 58.000 0.212 0.000 0.979 154 F CB 2.285 41.474 39.000 0.315 0.000 1.137 154 F HN 0.332 nan 8.300 nan 0.000 0.463 155 V N 5.099 125.225 119.914 0.354 0.000 2.407 155 V HA 0.391 4.511 4.120 0.000 0.000 0.291 155 V C -0.175 176.080 176.094 0.268 0.000 1.018 155 V CA -0.729 61.747 62.300 0.294 0.000 0.842 155 V CB 1.580 33.511 31.823 0.180 0.000 0.996 155 V HN 0.521 nan 8.190 nan 0.000 0.426 156 I N 4.169 124.898 120.570 0.266 0.000 2.315 156 I HA 0.622 4.792 4.170 0.000 0.000 0.291 156 I C 0.613 176.834 176.117 0.172 0.000 1.006 156 I CA 0.016 61.450 61.300 0.224 0.000 1.265 156 I CB 1.570 39.706 38.000 0.227 0.000 1.387 156 I HN 0.704 nan 8.210 nan 0.000 0.475 157 A N 5.675 128.583 122.820 0.145 0.000 3.045 157 A HA 0.330 4.650 4.320 0.000 0.000 0.244 157 A C 0.704 178.359 177.584 0.118 0.000 0.917 157 A CA -0.274 51.837 52.037 0.125 0.000 1.075 157 A CB -0.031 19.036 19.000 0.111 0.000 1.202 157 A HN 0.617 nan 8.150 nan 0.000 0.486 158 V N -2.865 117.122 119.914 0.121 0.000 3.541 158 V HA 0.445 4.565 4.120 0.000 0.000 0.267 158 V C 1.445 177.613 176.094 0.122 0.000 1.213 158 V CA 0.726 63.097 62.300 0.120 0.000 1.149 158 V CB -1.486 30.406 31.823 0.116 0.000 0.822 158 V HN 1.661 nan 8.190 nan 0.000 0.462 159 G N 0.616 109.487 108.800 0.118 0.000 2.602 159 G HA2 0.067 4.027 3.960 0.000 0.000 0.306 159 G HA3 0.067 4.027 3.960 0.000 0.000 0.306 159 G C 0.379 175.350 174.900 0.118 0.000 1.301 159 G CA 0.398 45.569 45.100 0.118 0.000 0.974 159 G HN 1.723 nan 8.290 nan 0.000 0.547 160 G N -1.816 107.060 108.800 0.128 0.000 2.766 160 G HA2 0.759 4.719 3.960 0.000 0.000 0.288 160 G HA3 0.759 4.719 3.960 0.000 0.000 0.288 160 G C -1.166 173.823 174.900 0.148 0.000 1.408 160 G CA -0.436 44.738 45.100 0.124 0.000 0.852 160 G HN 0.703 nan 8.290 nan 0.000 0.487 161 R N -0.493 120.093 120.500 0.145 0.000 2.740 161 R HA 0.500 4.840 4.340 0.000 0.000 0.273 161 R C -2.854 173.535 176.300 0.149 0.000 0.998 161 R CA -1.830 54.374 56.100 0.174 0.000 0.900 161 R CB 1.672 32.088 30.300 0.193 0.000 1.223 161 R HN 0.313 nan 8.270 nan 0.000 0.466 162 P HA 0.128 nan 4.420 nan 0.000 0.268 162 P C -0.385 176.978 177.300 0.106 0.000 1.208 162 P CA -0.031 63.123 63.100 0.090 0.000 0.777 162 P CB 0.578 32.306 31.700 0.047 0.000 0.875 163 R N 1.385 121.910 120.500 0.043 0.000 2.500 163 R HA 0.471 4.811 4.340 0.000 0.000 0.277 163 R C -0.560 175.709 176.300 -0.051 0.000 1.026 163 R CA -0.414 55.720 56.100 0.056 0.000 1.058 163 R CB 0.564 30.872 30.300 0.013 0.000 1.078 163 R HN 0.463 nan 8.270 nan 0.000 0.509 164 Y N 1.451 121.676 120.300 -0.125 0.000 2.393 164 Y HA 0.300 4.850 4.550 0.000 0.000 0.341 164 Y C -1.698 173.955 175.900 -0.413 0.000 0.988 164 Y CA -2.401 55.505 58.100 -0.324 0.000 1.078 164 Y CB 1.379 39.712 38.460 -0.213 0.000 1.203 164 Y HN 0.453 nan 8.280 nan 0.000 0.453 165 P HA -0.014 nan 4.420 nan 0.000 0.271 165 P C -0.626 176.512 177.300 -0.271 0.000 1.218 165 P CA -0.186 62.653 63.100 -0.436 0.000 0.780 165 P CB 0.989 32.289 31.700 -0.666 0.000 0.901 166 D N 2.046 122.351 120.400 -0.158 0.000 2.551 166 D HA 0.323 4.963 4.640 0.000 0.000 0.223 166 D C -0.863 175.387 176.300 -0.083 0.000 1.144 166 D CA 0.067 54.008 54.000 -0.098 0.000 1.025 166 D CB -1.133 39.629 40.800 -0.062 0.000 1.085 166 D HN 0.101 nan 8.370 nan 0.000 0.506 167 I N 2.716 123.233 120.570 -0.087 0.000 2.692 167 I HA 0.282 4.452 4.170 0.000 0.000 0.293 167 I C -2.290 173.834 176.117 0.011 0.000 1.200 167 I CA -2.318 58.956 61.300 -0.043 0.000 1.036 167 I CB 2.313 40.261 38.000 -0.086 0.000 1.258 167 I HN 0.052 nan 8.210 nan 0.000 0.421 168 P HA 0.215 nan 4.420 nan 0.000 0.261 168 P C 0.748 178.139 177.300 0.153 0.000 1.173 168 P CA 1.058 64.205 63.100 0.079 0.000 0.760 168 P CB 0.388 32.137 31.700 0.081 0.000 0.783 169 G N 2.477 111.362 108.800 0.142 0.000 2.234 169 G HA2 -0.354 3.606 3.960 0.000 0.000 0.260 169 G HA3 -0.354 3.606 3.960 0.000 0.000 0.260 169 G C 1.224 176.274 174.900 0.250 0.000 0.987 169 G CA 0.615 45.852 45.100 0.228 0.000 0.625 169 G HN 0.690 nan 8.290 nan 0.000 0.532 170 A N -0.104 122.865 122.820 0.248 0.000 1.865 170 A HA 0.186 4.506 4.320 0.000 0.000 0.217 170 A C 2.790 180.695 177.584 0.536 0.000 1.191 170 A CA 3.445 55.746 52.037 0.440 0.000 0.623 170 A CB -0.744 18.252 19.000 -0.007 0.000 0.826 170 A HN 1.728 nan 8.150 nan 0.000 0.444 171 V N 0.548 120.545 119.914 0.139 0.000 2.535 171 V HA -0.117 4.003 4.120 0.000 0.000 0.246 171 V C 2.258 178.338 176.094 -0.023 0.000 1.045 171 V CA 2.149 64.409 62.300 -0.065 0.000 1.058 171 V CB -0.682 30.824 31.823 -0.527 0.000 0.689 171 V HN 0.683 nan 8.190 nan 0.000 0.461 172 E N 0.289 120.388 120.200 -0.168 0.000 2.077 172 E HA -0.230 4.120 4.350 0.000 0.000 0.193 172 E C 1.904 178.286 176.600 -0.365 0.000 0.989 172 E CA 2.136 58.289 56.400 -0.411 0.000 0.800 172 E CB -0.748 28.507 29.700 -0.741 0.000 0.746 172 E HN 0.776 nan 8.360 nan 0.000 0.452 173 Y N 0.830 121.226 120.300 0.161 0.000 2.498 173 Y HA 0.403 4.953 4.550 0.000 0.000 0.259 173 Y C 1.729 177.680 175.900 0.086 0.000 1.086 173 Y CA -0.142 58.026 58.100 0.114 0.000 1.287 173 Y CB -0.237 38.281 38.460 0.096 0.000 1.146 173 Y HN 0.018 nan 8.280 nan 0.000 0.523 174 G N 1.257 110.254 108.800 0.330 0.000 2.599 174 G HA2 0.507 4.467 3.960 0.000 0.000 0.264 174 G HA3 0.507 4.467 3.960 0.000 0.000 0.264 174 G C -0.191 174.765 174.900 0.093 0.000 1.200 174 G CA -0.303 44.831 45.100 0.056 0.000 0.896 174 G HN 0.237 nan 8.290 nan 0.000 0.536 175 I N -2.415 118.050 120.570 -0.174 0.000 3.294 175 I HA 0.929 5.099 4.170 0.000 0.000 0.311 175 I C 0.016 176.048 176.117 -0.142 0.000 1.111 175 I CA -1.011 60.262 61.300 -0.044 0.000 0.976 175 I CB 2.377 40.336 38.000 -0.069 0.000 1.260 175 I HN 0.692 nan 8.210 nan 0.000 0.474 176 T N -2.189 112.325 114.554 -0.066 0.000 2.804 176 T HA 0.307 4.657 4.350 0.000 0.000 0.290 176 T C 0.833 175.487 174.700 -0.077 0.000 1.099 176 T CA 0.002 62.046 62.100 -0.093 0.000 1.011 176 T CB 1.124 69.950 68.868 -0.070 0.000 1.291 176 T HN 0.855 nan 8.240 nan 0.000 0.523 177 S N -0.085 115.570 115.700 -0.075 0.000 2.440 177 S HA -0.170 4.300 4.470 0.000 0.000 0.240 177 S C 1.212 175.816 174.600 0.007 0.000 1.014 177 S CA 1.533 59.674 58.200 -0.098 0.000 0.980 177 S CB -0.885 62.346 63.200 0.051 0.000 0.775 177 S HN 0.708 nan 8.310 nan 0.000 0.499 178 D N 1.942 122.391 120.400 0.082 0.000 2.144 178 D HA -0.038 4.602 4.640 0.000 0.000 0.200 178 D C 1.598 177.998 176.300 0.168 0.000 0.978 178 D CA 1.211 55.292 54.000 0.135 0.000 0.833 178 D CB -0.316 40.684 40.800 0.334 0.000 0.961 178 D HN 0.499 nan 8.370 nan 0.000 0.470 179 D N 0.049 120.531 120.400 0.136 0.000 2.183 179 D HA -0.038 4.602 4.640 0.000 0.000 0.205 179 D C 2.304 178.652 176.300 0.080 0.000 0.962 179 D CA -0.099 53.981 54.000 0.132 0.000 0.849 179 D CB 0.083 40.954 40.800 0.118 0.000 0.978 179 D HN 0.167 nan 8.370 nan 0.000 0.488 180 L N 0.438 121.629 121.223 -0.053 0.000 1.990 180 L HA -0.220 4.120 4.340 0.000 0.000 0.213 180 L C 1.992 178.875 176.870 0.022 0.000 1.072 180 L CA 1.532 56.300 54.840 -0.120 0.000 0.755 180 L CB -0.330 41.454 42.059 -0.459 0.000 0.889 180 L HN -0.043 nan 8.230 nan 0.000 0.432 181 F N -0.307 119.726 119.950 0.139 0.000 2.771 181 F HA -0.077 4.450 4.527 0.000 0.000 0.299 181 F C 1.890 177.676 175.800 -0.023 0.000 1.177 181 F CA 0.773 58.798 58.000 0.041 0.000 1.450 181 F CB -0.382 38.589 39.000 -0.048 0.000 1.114 181 F HN 0.200 nan 8.300 nan 0.000 0.587 182 S N -1.442 114.372 115.700 0.190 0.000 3.021 182 S HA 0.247 4.718 4.470 0.000 0.000 0.252 182 S C -0.053 174.661 174.600 0.191 0.000 0.996 182 S CA -0.520 57.756 58.200 0.126 0.000 1.084 182 S CB -0.744 62.533 63.200 0.128 0.000 1.021 182 S HN 0.082 nan 8.310 nan 0.000 0.566 183 L N 2.445 123.856 121.223 0.314 0.000 2.628 183 L HA 0.032 4.372 4.340 0.000 0.000 0.274 183 L C 1.031 178.159 176.870 0.430 0.000 1.209 183 L CA 0.286 55.348 54.840 0.370 0.000 0.930 183 L CB 0.362 42.666 42.059 0.409 0.000 1.183 183 L HN 0.273 nan 8.230 nan 0.000 0.492 184 D N 2.256 122.825 120.400 0.281 0.000 2.123 184 D HA -0.125 4.515 4.640 0.000 0.000 0.196 184 D C 0.745 177.261 176.300 0.361 0.000 0.992 184 D CA 1.364 55.522 54.000 0.263 0.000 0.833 184 D CB 0.194 41.088 40.800 0.156 0.000 0.954 184 D HN 0.503 nan 8.370 nan 0.000 0.455 185 R N 0.453 121.113 120.500 0.268 0.000 2.643 185 R HA 0.499 4.839 4.340 0.000 0.000 0.272 185 R C -0.201 176.124 176.300 0.042 0.000 0.995 185 R CA -0.603 55.625 56.100 0.213 0.000 1.032 185 R CB 0.294 30.646 30.300 0.087 0.000 1.126 185 R HN -0.161 nan 8.270 nan 0.000 0.505 186 E N 2.194 122.325 120.200 -0.114 0.000 2.384 186 E HA 0.031 4.381 4.350 0.000 0.000 0.266 186 E C -1.652 174.463 176.600 -0.808 0.000 1.012 186 E CA -1.593 54.432 56.400 -0.625 0.000 0.901 186 E CB 0.503 30.021 29.700 -0.303 0.000 0.967 186 E HN 0.485 nan 8.360 nan 0.000 0.435 187 P HA -0.235 nan 4.420 nan 0.000 0.216 187 P C 0.792 177.681 177.300 -0.686 0.000 1.157 187 P CA 1.741 64.228 63.100 -1.023 0.000 0.880 187 P CB 0.024 30.949 31.700 -1.291 0.000 0.791 188 G N -0.608 107.733 108.800 -0.764 0.000 2.566 188 G HA2 -0.337 3.623 3.960 0.000 0.000 0.280 188 G HA3 -0.337 3.623 3.960 0.000 0.000 0.280 188 G C -0.173 174.675 174.900 -0.086 0.000 1.225 188 G CA 0.078 45.066 45.100 -0.187 0.000 0.966 188 G HN 0.536 nan 8.290 nan 0.000 0.560 189 K N 1.130 121.518 120.400 -0.021 0.000 2.349 189 K HA 0.476 4.796 4.320 0.000 0.000 0.288 189 K C -0.175 176.477 176.600 0.088 0.000 1.058 189 K CA 0.718 57.026 56.287 0.035 0.000 0.953 189 K CB 0.223 32.727 32.500 0.006 0.000 0.997 189 K HN 0.815 nan 8.250 nan 0.000 0.477 190 T N 4.494 119.075 114.554 0.045 0.000 2.879 190 T HA 0.296 4.646 4.350 0.000 0.000 0.290 190 T C -1.309 173.217 174.700 -0.290 0.000 0.993 190 T CA -0.973 61.045 62.100 -0.136 0.000 0.975 190 T CB 0.907 69.617 68.868 -0.264 0.000 0.981 190 T HN 0.457 nan 8.240 nan 0.000 0.439 191 L N 6.162 126.969 121.223 -0.694 0.000 2.281 191 L HA 0.660 5.000 4.340 0.000 0.000 0.285 191 L C -0.796 175.730 176.870 -0.574 0.000 1.074 191 L CA -0.175 54.147 54.840 -0.864 0.000 0.817 191 L CB 1.004 42.249 42.059 -1.356 0.000 1.168 191 L HN 0.549 nan 8.230 nan 0.000 0.434 192 V N 6.670 126.318 119.914 -0.442 0.000 2.311 192 V HA 0.291 4.411 4.120 0.000 0.000 0.275 192 V C -0.206 175.711 176.094 -0.296 0.000 1.022 192 V CA -0.650 61.434 62.300 -0.360 0.000 0.830 192 V CB 1.460 33.082 31.823 -0.336 0.000 1.012 192 V HN 0.506 nan 8.190 nan 0.000 0.452 193 V N 5.000 124.781 119.914 -0.221 0.000 2.353 193 V HA 0.829 4.949 4.120 0.000 0.000 0.264 193 V C 0.714 176.785 176.094 -0.038 0.000 1.049 193 V CA 0.498 62.752 62.300 -0.077 0.000 0.896 193 V CB 0.463 32.374 31.823 0.148 0.000 1.025 193 V HN 1.164 nan 8.190 nan 0.000 0.475 194 G N 4.028 112.790 108.800 -0.064 0.000 2.764 194 G HA2 0.423 4.383 3.960 0.000 0.000 0.678 194 G HA3 0.423 4.383 3.960 0.000 0.000 0.678 194 G C -0.405 174.456 174.900 -0.065 0.000 1.341 194 G CA -0.221 44.852 45.100 -0.044 0.000 0.836 194 G HN 1.335 nan 8.290 nan 0.000 0.632 195 A N 0.943 123.751 122.820 -0.021 0.000 2.674 195 A HA 0.802 5.122 4.320 0.000 0.000 0.286 195 A C 1.195 178.794 177.584 0.025 0.000 0.980 195 A CA 1.101 53.142 52.037 0.006 0.000 1.028 195 A CB -0.097 18.946 19.000 0.071 0.000 1.199 195 A HN 2.166 nan 8.150 nan 0.000 0.499 196 G N -0.965 107.831 108.800 -0.005 0.000 2.570 196 G HA2 0.281 4.242 3.960 0.000 0.000 0.276 196 G HA3 0.281 4.242 3.960 0.000 0.000 0.276 196 G C 0.746 175.637 174.900 -0.016 0.000 1.346 196 G CA 0.212 45.317 45.100 0.008 0.000 1.034 196 G HN 0.771 nan 8.290 nan 0.000 0.512 197 Y N -1.384 118.929 120.300 0.022 0.000 2.293 197 Y HA 0.013 4.563 4.550 0.000 0.000 0.291 197 Y C 2.352 178.276 175.900 0.041 0.000 1.137 197 Y CA 1.105 59.202 58.100 -0.005 0.000 1.202 197 Y CB -0.423 38.039 38.460 0.003 0.000 0.990 197 Y HN 0.208 nan 8.280 nan 0.000 0.537 198 I N 1.419 121.694 120.570 -0.492 0.000 2.142 198 I HA -0.215 3.955 4.170 0.000 0.000 0.240 198 I C 2.871 178.924 176.117 -0.108 0.000 1.078 198 I CA 1.610 62.773 61.300 -0.228 0.000 1.343 198 I CB -1.024 36.802 38.000 -0.290 0.000 1.046 198 I HN 0.469 nan 8.210 nan 0.000 0.405 199 G N 1.061 109.776 108.800 -0.141 0.000 2.476 199 G HA2 -0.239 3.721 3.960 0.000 0.000 0.218 199 G HA3 -0.239 3.721 3.960 0.000 0.000 0.218 199 G C 1.552 176.361 174.900 -0.153 0.000 1.164 199 G CA 0.648 45.658 45.100 -0.150 0.000 0.768 199 G HN 0.129 nan 8.290 nan 0.000 0.560 200 L N 0.825 121.998 121.223 -0.082 0.000 2.017 200 L HA -0.005 4.335 4.340 0.000 0.000 0.208 200 L C 2.797 179.641 176.870 -0.044 0.000 1.073 200 L CA 1.633 56.446 54.840 -0.046 0.000 0.745 200 L CB -1.159 40.919 42.059 0.031 0.000 0.894 200 L HN 0.378 nan 8.230 nan 0.000 0.432 201 E N -1.396 118.815 120.200 0.018 0.000 2.038 201 E HA -0.253 4.097 4.350 0.000 0.000 0.195 201 E C 2.310 178.803 176.600 -0.179 0.000 1.000 201 E CA 1.805 58.246 56.400 0.067 0.000 0.803 201 E CB -0.317 29.531 29.700 0.248 0.000 0.750 201 E HN 0.500 nan 8.360 nan 0.000 0.448 202 C N 0.854 119.949 119.300 -0.343 0.000 2.413 202 C HA -0.162 4.298 4.460 0.000 0.000 0.276 202 C C 2.962 177.450 174.990 -0.837 0.000 1.236 202 C CA 0.867 59.331 59.018 -0.924 0.000 1.735 202 C CB -1.143 26.297 27.740 -0.500 0.000 2.031 202 C HN 0.546 nan 8.230 nan 0.000 0.474 203 A N 0.940 123.494 122.820 -0.443 0.000 1.892 203 A HA -0.019 4.301 4.320 0.000 0.000 0.218 203 A C 2.423 179.863 177.584 -0.241 0.000 1.188 203 A CA 2.364 54.204 52.037 -0.327 0.000 0.631 203 A CB -1.421 17.403 19.000 -0.293 0.000 0.822 203 A HN 0.575 nan 8.150 nan 0.000 0.447 204 G N -0.129 108.573 108.800 -0.162 0.000 2.446 204 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 204 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 204 G C 1.361 176.316 174.900 0.091 0.000 1.168 204 G CA 1.436 46.539 45.100 0.005 0.000 0.771 204 G HN 0.828 nan 8.290 nan 0.000 0.551 205 F N 0.425 120.479 119.950 0.174 0.000 2.367 205 F HA 0.336 4.863 4.527 0.000 0.000 0.298 205 F C 2.127 178.037 175.800 0.183 0.000 1.094 205 F CA -0.004 58.120 58.000 0.206 0.000 1.409 205 F CB -0.643 38.514 39.000 0.262 0.000 1.064 205 F HN 0.054 nan 8.300 nan 0.000 0.528 206 L N 0.348 121.639 121.223 0.113 0.000 2.056 206 L HA -0.135 4.205 4.340 0.000 0.000 0.207 206 L C 2.803 179.780 176.870 0.178 0.000 1.078 206 L CA 1.384 56.343 54.840 0.198 0.000 0.749 206 L CB -0.727 41.297 42.059 -0.057 0.000 0.901 206 L HN 0.094 nan 8.230 nan 0.000 0.433 207 K N 0.387 120.831 120.400 0.072 0.000 2.097 207 K HA -0.136 4.184 4.320 0.000 0.000 0.206 207 K C 1.926 178.569 176.600 0.072 0.000 1.049 207 K CA 1.492 57.810 56.287 0.053 0.000 0.933 207 K CB -0.333 32.182 32.500 0.024 0.000 0.717 207 K HN 0.395 nan 8.250 nan 0.000 0.442 208 G N 0.298 109.177 108.800 0.130 0.000 2.534 208 G HA2 -0.097 3.863 3.960 0.000 0.000 0.217 208 G HA3 -0.097 3.863 3.960 0.000 0.000 0.217 208 G C 1.224 176.194 174.900 0.117 0.000 1.128 208 G CA 0.098 45.276 45.100 0.130 0.000 0.784 208 G HN 0.207 nan 8.290 nan 0.000 0.542 209 L N -0.163 121.144 121.223 0.140 0.000 2.769 209 L HA 0.360 4.700 4.340 0.000 0.000 0.240 209 L C 1.729 178.495 176.870 -0.174 0.000 1.163 209 L CA 0.392 55.290 54.840 0.096 0.000 0.962 209 L CB 0.486 42.735 42.059 0.317 0.000 1.258 209 L HN 0.289 nan 8.230 nan 0.000 0.513 210 G N -1.261 107.422 108.800 -0.196 0.000 2.179 210 G HA2 -0.276 3.684 3.960 0.000 0.000 0.220 210 G HA3 -0.276 3.684 3.960 0.000 0.000 0.220 210 G C 0.002 174.601 174.900 -0.503 0.000 0.990 210 G CA -0.463 44.429 45.100 -0.347 0.000 0.646 210 G HN 0.248 nan 8.290 nan 0.000 0.517 211 Y N 0.195 120.481 120.300 -0.024 0.000 2.408 211 Y HA 0.666 5.216 4.550 0.000 0.000 0.324 211 Y C 0.657 176.520 175.900 -0.061 0.000 1.302 211 Y CA -0.795 57.262 58.100 -0.071 0.000 1.384 211 Y CB 0.817 39.195 38.460 -0.137 0.000 1.367 211 Y HN -0.104 nan 8.280 nan 0.000 0.525 212 E N 2.749 123.022 120.200 0.120 0.000 2.751 212 E HA 0.257 4.607 4.350 0.000 0.000 0.219 212 E C -2.660 173.948 176.600 0.014 0.000 1.060 212 E CA -2.297 54.127 56.400 0.039 0.000 0.893 212 E CB 0.325 30.040 29.700 0.025 0.000 1.300 212 E HN 0.304 nan 8.360 nan 0.000 0.433 213 P HA 0.198 nan 4.420 nan 0.000 0.274 213 P C -0.327 176.905 177.300 -0.113 0.000 1.231 213 P CA -0.289 62.749 63.100 -0.103 0.000 0.790 213 P CB 1.364 32.965 31.700 -0.165 0.000 0.951 214 T N 0.820 115.277 114.554 -0.162 0.000 2.886 214 T HA 0.325 4.675 4.350 0.000 0.000 0.292 214 T C -0.507 173.977 174.700 -0.360 0.000 1.012 214 T CA -0.418 61.557 62.100 -0.208 0.000 0.982 214 T CB 1.196 70.033 68.868 -0.050 0.000 1.018 214 T HN 0.067 nan 8.240 nan 0.000 0.451 215 V N 4.266 123.863 119.914 -0.528 0.000 2.370 215 V HA 0.480 4.601 4.120 0.000 0.000 0.279 215 V C 0.053 175.924 176.094 -0.373 0.000 1.029 215 V CA -0.726 61.228 62.300 -0.577 0.000 0.870 215 V CB 1.306 32.501 31.823 -1.046 0.000 0.984 215 V HN 0.865 nan 8.190 nan 0.000 0.451 216 M N 6.192 125.633 119.600 -0.266 0.000 2.238 216 M HA 0.636 5.116 4.480 0.000 0.000 0.350 216 M C -1.462 174.787 176.300 -0.084 0.000 1.138 216 M CA -0.365 54.828 55.300 -0.179 0.000 1.040 216 M CB 1.409 33.878 32.600 -0.218 0.000 1.639 216 M HN 0.455 nan 8.290 nan 0.000 0.451 217 V N 6.080 125.986 119.914 -0.014 0.000 2.443 217 V HA 0.339 4.459 4.120 0.000 0.000 0.293 217 V C 0.709 176.821 176.094 0.031 0.000 1.021 217 V CA -0.710 61.611 62.300 0.035 0.000 0.848 217 V CB 1.225 33.110 31.823 0.104 0.000 0.998 217 V HN 1.037 nan 8.190 nan 0.000 0.424 218 R N 3.200 123.716 120.500 0.026 0.000 2.080 218 R HA -0.138 4.202 4.340 0.000 0.000 0.236 218 R C 1.730 178.050 176.300 0.034 0.000 1.137 218 R CA 2.452 58.569 56.100 0.029 0.000 0.943 218 R CB 0.204 30.519 30.300 0.025 0.000 0.846 218 R HN 0.887 nan 8.270 nan 0.000 0.431 219 S N -0.840 114.882 115.700 0.038 0.000 3.799 219 S HA 0.248 4.718 4.470 0.000 0.000 0.170 219 S C 0.659 175.282 174.600 0.040 0.000 0.840 219 S CA -0.272 57.950 58.200 0.036 0.000 1.025 219 S CB -0.245 62.976 63.200 0.035 0.000 1.455 219 S HN 0.328 nan 8.310 nan 0.000 0.804 220 I N 0.413 121.011 120.570 0.046 0.000 2.910 220 I HA 0.855 5.025 4.170 0.000 0.000 0.310 220 I C -1.056 175.100 176.117 0.065 0.000 1.043 220 I CA -1.462 59.867 61.300 0.049 0.000 1.053 220 I CB 2.034 40.064 38.000 0.050 0.000 1.242 220 I HN 0.210 nan 8.210 nan 0.000 0.452 221 V N 4.336 124.286 119.914 0.060 0.000 2.509 221 V HA 0.257 4.377 4.120 0.000 0.000 0.284 221 V C 0.648 176.793 176.094 0.087 0.000 1.047 221 V CA -0.655 61.688 62.300 0.072 0.000 0.952 221 V CB 0.987 32.833 31.823 0.039 0.000 0.988 221 V HN 0.781 nan 8.190 nan 0.000 0.469 222 L N 2.841 124.125 121.223 0.100 0.000 3.677 222 L HA -0.174 4.166 4.340 0.000 0.000 0.464 222 L C 1.022 178.097 176.870 0.343 0.000 1.278 222 L CA 0.216 55.157 54.840 0.170 0.000 0.806 222 L CB -0.995 41.047 42.059 -0.029 0.000 1.610 222 L HN 0.783 nan 8.230 nan 0.000 0.867 223 R N 0.843 121.489 120.500 0.244 0.000 2.566 223 R HA 0.195 4.535 4.340 0.000 0.000 0.273 223 R C 1.486 177.946 176.300 0.267 0.000 0.981 223 R CA 1.452 57.678 56.100 0.209 0.000 1.091 223 R CB 0.243 30.623 30.300 0.133 0.000 0.924 223 R HN 0.522 nan 8.270 nan 0.000 0.411 224 G N 2.988 111.888 108.800 0.166 0.000 2.241 224 G HA2 -0.297 3.663 3.960 0.000 0.000 0.244 224 G HA3 -0.297 3.663 3.960 0.000 0.000 0.244 224 G C -0.099 174.773 174.900 -0.047 0.000 0.998 224 G CA 0.069 45.189 45.100 0.034 0.000 0.621 224 G HN 0.516 nan 8.290 nan 0.000 0.519 225 F N 1.603 121.640 119.950 0.144 0.000 2.432 225 F HA 0.487 5.014 4.527 0.000 0.000 0.329 225 F C 0.771 176.677 175.800 0.176 0.000 1.076 225 F CA -0.669 57.458 58.000 0.212 0.000 1.018 225 F CB 0.908 40.088 39.000 0.300 0.000 1.201 225 F HN -0.003 nan 8.300 nan 0.000 0.489 226 D N 2.203 122.843 120.400 0.401 0.000 2.581 226 D HA -0.118 4.522 4.640 0.000 0.000 0.238 226 D C 0.687 177.061 176.300 0.124 0.000 1.145 226 D CA 0.337 54.453 54.000 0.193 0.000 0.866 226 D CB 0.960 41.792 40.800 0.054 0.000 1.151 226 D HN 0.483 nan 8.370 nan 0.000 0.500 227 Q N 2.876 122.712 119.800 0.061 0.000 2.245 227 Q HA -0.127 4.213 4.340 0.000 0.000 0.201 227 Q C 1.687 177.671 176.000 -0.026 0.000 0.955 227 Q CA 0.695 56.517 55.803 0.033 0.000 0.870 227 Q CB -0.129 28.627 28.738 0.030 0.000 0.945 227 Q HN 0.719 nan 8.270 nan 0.000 0.461 228 Q N -0.385 119.388 119.800 -0.045 0.000 2.084 228 Q HA -0.137 4.203 4.340 0.000 0.000 0.202 228 Q C 1.667 177.591 176.000 -0.126 0.000 0.978 228 Q CA 1.162 56.917 55.803 -0.079 0.000 0.844 228 Q CB 0.153 28.851 28.738 -0.067 0.000 0.898 228 Q HN 0.223 nan 8.270 nan 0.000 0.426 229 M N -0.007 119.501 119.600 -0.153 0.000 2.200 229 M HA -0.046 4.435 4.480 0.000 0.000 0.265 229 M C 2.322 178.403 176.300 -0.366 0.000 1.066 229 M CA 1.333 56.432 55.300 -0.335 0.000 1.127 229 M CB -1.382 30.874 32.600 -0.574 0.000 1.379 229 M HN 0.327 nan 8.290 nan 0.000 0.420 230 A N 0.578 123.279 122.820 -0.199 0.000 1.892 230 A HA -0.178 4.142 4.320 0.000 0.000 0.218 230 A C 2.113 179.608 177.584 -0.149 0.000 1.188 230 A CA 1.672 53.636 52.037 -0.123 0.000 0.631 230 A CB -0.543 18.458 19.000 0.002 0.000 0.822 230 A HN 0.445 nan 8.150 nan 0.000 0.447 231 E N -0.046 120.070 120.200 -0.141 0.000 2.106 231 E HA -0.097 4.253 4.350 0.000 0.000 0.192 231 E C 2.058 178.538 176.600 -0.200 0.000 0.984 231 E CA 0.829 57.131 56.400 -0.164 0.000 0.806 231 E CB -0.450 29.178 29.700 -0.119 0.000 0.750 231 E HN 0.699 nan 8.360 nan 0.000 0.458 232 L N 0.358 121.473 121.223 -0.180 0.000 2.093 232 L HA -0.141 4.199 4.340 0.000 0.000 0.208 232 L C 2.523 179.220 176.870 -0.289 0.000 1.085 232 L CA 0.615 55.357 54.840 -0.163 0.000 0.755 232 L CB -0.492 41.523 42.059 -0.073 0.000 0.904 232 L HN -0.028 nan 8.230 nan 0.000 0.435 233 V N 0.233 120.001 119.914 -0.244 0.000 2.255 233 V HA -0.329 3.791 4.120 0.000 0.000 0.247 233 V C 2.801 178.757 176.094 -0.230 0.000 1.051 233 V CA 1.945 64.129 62.300 -0.192 0.000 1.018 233 V CB -0.971 30.785 31.823 -0.112 0.000 0.641 233 V HN 0.493 nan 8.190 nan 0.000 0.445 234 A N -0.021 122.632 122.820 -0.279 0.000 1.883 234 A HA -0.170 4.150 4.320 0.000 0.000 0.217 234 A C 2.402 179.655 177.584 -0.552 0.000 1.186 234 A CA 2.359 54.112 52.037 -0.473 0.000 0.624 234 A CB -0.857 17.762 19.000 -0.636 0.000 0.822 234 A HN 0.605 nan 8.150 nan 0.000 0.444 235 A N 0.126 122.635 122.820 -0.518 0.000 1.969 235 A HA -0.041 4.279 4.320 0.000 0.000 0.218 235 A C 2.473 179.603 177.584 -0.758 0.000 1.169 235 A CA 2.142 53.856 52.037 -0.539 0.000 0.635 235 A CB -0.900 17.867 19.000 -0.388 0.000 0.810 235 A HN 1.029 nan 8.150 nan 0.000 0.445 236 S N -0.475 114.635 115.700 -0.983 0.000 2.402 236 S HA -0.134 4.336 4.470 0.000 0.000 0.229 236 S C 1.949 176.414 174.600 -0.225 0.000 1.021 236 S CA 1.625 59.393 58.200 -0.721 0.000 0.974 236 S CB -0.527 62.423 63.200 -0.417 0.000 0.800 236 S HN 0.516 nan 8.310 nan 0.000 0.484 237 M N 1.113 120.629 119.600 -0.141 0.000 2.236 237 M HA 0.055 4.535 4.480 0.000 0.000 0.266 237 M C 2.331 178.689 176.300 0.096 0.000 1.070 237 M CA 1.240 56.572 55.300 0.054 0.000 1.137 237 M CB -0.365 32.371 32.600 0.227 0.000 1.378 237 M HN 0.371 nan 8.290 nan 0.000 0.426 238 E N 0.497 120.716 120.200 0.032 0.000 2.118 238 E HA -0.245 4.105 4.350 0.000 0.000 0.195 238 E C 1.831 178.445 176.600 0.024 0.000 0.992 238 E CA 1.124 57.551 56.400 0.044 0.000 0.804 238 E CB -0.208 29.455 29.700 -0.060 0.000 0.741 238 E HN 0.508 nan 8.360 nan 0.000 0.458 239 E N 0.928 121.125 120.200 -0.004 0.000 2.171 239 E HA -0.202 4.148 4.350 0.000 0.000 0.197 239 E C 1.556 178.184 176.600 0.046 0.000 0.997 239 E CA 0.875 57.308 56.400 0.055 0.000 0.810 239 E CB 0.102 29.884 29.700 0.138 0.000 0.738 239 E HN 0.113 nan 8.360 nan 0.000 0.467 240 R N -1.287 119.237 120.500 0.040 0.000 2.320 240 R HA 0.094 4.434 4.340 0.000 0.000 0.211 240 R C 0.922 177.242 176.300 0.033 0.000 0.931 240 R CA 0.478 56.601 56.100 0.038 0.000 1.071 240 R CB 0.621 30.949 30.300 0.047 0.000 1.025 240 R HN 0.269 nan 8.270 nan 0.000 0.495 241 G N 1.282 110.106 108.800 0.039 0.000 2.141 241 G HA2 -0.248 3.712 3.960 0.000 0.000 0.242 241 G HA3 -0.248 3.712 3.960 0.000 0.000 0.242 241 G C 0.078 175.003 174.900 0.042 0.000 0.982 241 G CA -0.421 44.699 45.100 0.033 0.000 0.662 241 G HN 0.247 nan 8.290 nan 0.000 0.527 242 I N 2.103 122.716 120.570 0.073 0.000 2.297 242 I HA 0.317 4.487 4.170 0.000 0.000 0.291 242 I C -2.001 174.206 176.117 0.150 0.000 1.033 242 I CA -2.338 58.998 61.300 0.059 0.000 1.253 242 I CB 1.423 39.438 38.000 0.025 0.000 1.396 242 I HN -0.124 nan 8.210 nan 0.000 0.476 243 P HA 0.264 nan 4.420 nan 0.000 0.277 243 P C -1.044 176.297 177.300 0.069 0.000 1.240 243 P CA -0.085 63.101 63.100 0.143 0.000 0.798 243 P CB 0.469 32.206 31.700 0.062 0.000 0.979 244 F N 0.822 120.747 119.950 -0.041 0.000 2.482 244 F HA 0.392 4.919 4.527 0.000 0.000 0.331 244 F C 0.406 176.179 175.800 -0.045 0.000 1.115 244 F CA -1.049 56.920 58.000 -0.053 0.000 0.955 244 F CB 1.316 40.285 39.000 -0.052 0.000 1.136 244 F HN -0.082 nan 8.300 nan 0.000 0.452 245 L N 5.215 126.468 121.223 0.051 0.000 2.328 245 L HA 0.380 4.720 4.340 0.000 0.000 0.280 245 L C 0.210 177.107 176.870 0.046 0.000 1.111 245 L CA -0.353 54.491 54.840 0.007 0.000 0.909 245 L CB -0.003 41.962 42.059 -0.156 0.000 1.277 245 L HN 0.587 nan 8.230 nan 0.000 0.433 246 R N 3.958 124.506 120.500 0.080 0.000 2.594 246 R HA 0.156 4.496 4.340 0.000 0.000 0.272 246 R C 0.259 176.592 176.300 0.055 0.000 1.074 246 R CA -0.697 55.445 56.100 0.070 0.000 1.105 246 R CB 0.443 30.776 30.300 0.056 0.000 1.008 246 R HN 0.323 nan 8.270 nan 0.000 0.472 247 K N 0.487 120.915 120.400 0.048 0.000 3.156 247 K HA -0.168 4.152 4.320 0.000 0.000 0.266 247 K C -0.870 175.762 176.600 0.054 0.000 0.966 247 K CA 1.116 57.430 56.287 0.045 0.000 0.719 247 K CB -1.716 30.808 32.500 0.040 0.000 1.333 247 K HN 0.769 nan 8.250 nan 0.000 0.468 248 T N -0.880 113.702 114.554 0.048 0.000 2.900 248 T HA 0.644 4.994 4.350 0.000 0.000 0.295 248 T C -0.555 174.170 174.700 0.040 0.000 1.044 248 T CA -0.683 61.452 62.100 0.058 0.000 0.995 248 T CB 2.929 71.814 68.868 0.028 0.000 1.072 248 T HN -0.005 nan 8.240 nan 0.000 0.473 249 V N 3.869 123.829 119.914 0.078 0.000 2.808 249 V HA 0.548 4.668 4.120 0.000 0.000 0.308 249 V C -2.399 173.772 176.094 0.129 0.000 1.099 249 V CA -2.159 60.185 62.300 0.074 0.000 0.920 249 V CB 2.827 34.686 31.823 0.060 0.000 1.014 249 V HN 0.722 nan 8.190 nan 0.000 0.425 250 P HA 0.232 nan 4.420 nan 0.000 0.275 250 P C -0.230 177.158 177.300 0.146 0.000 1.227 250 P CA -0.107 63.113 63.100 0.199 0.000 0.781 250 P CB 1.873 33.734 31.700 0.269 0.000 0.906 251 L N 1.386 122.714 121.223 0.174 0.000 2.500 251 L HA 0.209 4.549 4.340 0.000 0.000 0.219 251 L C 1.054 177.991 176.870 0.112 0.000 1.057 251 L CA 1.257 56.165 54.840 0.114 0.000 0.854 251 L CB -0.484 41.634 42.059 0.098 0.000 1.078 251 L HN 0.700 nan 8.230 nan 0.000 0.480 252 S N -2.317 113.482 115.700 0.165 0.000 2.645 252 S HA 0.548 5.018 4.470 0.000 0.000 0.268 252 S C -1.470 173.273 174.600 0.239 0.000 1.110 252 S CA -0.506 57.802 58.200 0.179 0.000 0.823 252 S CB 1.311 64.588 63.200 0.128 0.000 1.091 252 S HN -0.023 nan 8.310 nan 0.000 0.466 253 V N 1.239 121.313 119.914 0.267 0.000 2.808 253 V HA 0.866 4.986 4.120 0.000 0.000 0.308 253 V C -1.615 174.627 176.094 0.246 0.000 1.099 253 V CA -0.203 62.252 62.300 0.260 0.000 0.920 253 V CB 1.544 33.561 31.823 0.324 0.000 1.014 253 V HN 1.221 nan 8.190 nan 0.000 0.425 254 E N 4.520 124.755 120.200 0.058 0.000 2.416 254 E HA 0.456 4.806 4.350 0.000 0.000 0.273 254 E C -1.600 174.776 176.600 -0.373 0.000 0.935 254 E CA -1.167 55.181 56.400 -0.088 0.000 0.784 254 E CB 2.949 32.659 29.700 0.017 0.000 1.301 254 E HN 0.623 nan 8.360 nan 0.000 0.454 255 K N 1.606 121.655 120.400 -0.585 0.000 2.213 255 K HA 0.184 4.504 4.320 0.000 0.000 0.270 255 K C -0.393 176.086 176.600 -0.201 0.000 1.002 255 K CA -0.258 55.742 56.287 -0.479 0.000 0.868 255 K CB 1.218 33.346 32.500 -0.621 0.000 1.093 255 K HN 0.425 nan 8.250 nan 0.000 0.454 256 Q N 2.315 122.032 119.800 -0.138 0.000 2.317 256 Q HA 0.012 4.352 4.340 0.000 0.000 0.229 256 Q C 0.284 176.248 176.000 -0.060 0.000 0.984 256 Q CA -0.643 55.114 55.803 -0.077 0.000 0.911 256 Q CB 0.848 29.549 28.738 -0.062 0.000 1.217 256 Q HN 0.648 nan 8.270 nan 0.000 0.501 257 D N 1.428 121.806 120.400 -0.036 0.000 2.157 257 D HA -0.204 4.436 4.640 0.000 0.000 0.191 257 D C 1.036 177.322 176.300 -0.024 0.000 1.004 257 D CA 1.797 55.783 54.000 -0.023 0.000 0.854 257 D CB -0.241 40.551 40.800 -0.015 0.000 0.936 257 D HN 0.630 nan 8.370 nan 0.000 0.446 258 D N -1.187 119.196 120.400 -0.029 0.000 2.371 258 D HA 0.078 4.718 4.640 0.000 0.000 0.234 258 D C 1.550 177.832 176.300 -0.030 0.000 1.049 258 D CA 0.948 54.932 54.000 -0.026 0.000 0.907 258 D CB -0.318 40.465 40.800 -0.027 0.000 0.891 258 D HN 0.311 nan 8.370 nan 0.000 0.531 259 G N -0.335 108.441 108.800 -0.040 0.000 2.253 259 G HA2 -0.307 3.653 3.960 0.000 0.000 0.251 259 G HA3 -0.307 3.653 3.960 0.000 0.000 0.251 259 G C 0.437 175.300 174.900 -0.063 0.000 0.998 259 G CA 0.334 45.408 45.100 -0.044 0.000 0.621 259 G HN 0.405 nan 8.290 nan 0.000 0.524 260 K N 0.339 120.701 120.400 -0.063 0.000 2.149 260 K HA 0.592 4.912 4.320 0.000 0.000 0.245 260 K C 0.650 177.195 176.600 -0.091 0.000 1.024 260 K CA -0.260 55.988 56.287 -0.064 0.000 0.899 260 K CB 0.462 32.928 32.500 -0.058 0.000 1.038 260 K HN 0.372 nan 8.250 nan 0.000 0.496 261 L N 1.783 122.971 121.223 -0.059 0.000 2.287 261 L HA 0.323 4.663 4.340 0.000 0.000 0.287 261 L C -0.238 176.640 176.870 0.014 0.000 1.022 261 L CA -1.145 53.657 54.840 -0.063 0.000 0.814 261 L CB 0.967 43.004 42.059 -0.037 0.000 1.217 261 L HN 0.265 nan 8.230 nan 0.000 0.420 262 L N 5.307 126.526 121.223 -0.008 0.000 2.278 262 L HA 0.368 4.708 4.340 0.000 0.000 0.287 262 L C -0.381 176.554 176.870 0.109 0.000 1.072 262 L CA 0.079 54.942 54.840 0.039 0.000 0.819 262 L CB 1.196 43.256 42.059 0.002 0.000 1.176 262 L HN 0.307 nan 8.230 nan 0.000 0.435 263 V N 5.795 125.829 119.914 0.201 0.000 2.333 263 V HA 0.370 4.490 4.120 0.000 0.000 0.274 263 V C 0.157 176.394 176.094 0.239 0.000 1.028 263 V CA -0.838 61.624 62.300 0.269 0.000 0.851 263 V CB 0.805 32.843 31.823 0.359 0.000 1.000 263 V HN 0.637 nan 8.190 nan 0.000 0.456 264 K N 5.617 126.112 120.400 0.159 0.000 2.258 264 K HA 0.584 4.904 4.320 0.000 0.000 0.284 264 K C -0.926 175.769 176.600 0.158 0.000 1.051 264 K CA -0.338 55.977 56.287 0.048 0.000 0.923 264 K CB 1.106 33.625 32.500 0.032 0.000 1.046 264 K HN 0.765 nan 8.250 nan 0.000 0.474 265 Y N -0.641 119.703 120.300 0.073 0.000 2.615 265 Y HA 0.572 5.122 4.550 0.000 0.000 0.341 265 Y C -1.084 174.847 175.900 0.051 0.000 1.089 265 Y CA -1.422 56.719 58.100 0.068 0.000 1.049 265 Y CB 1.576 40.082 38.460 0.077 0.000 1.296 265 Y HN 0.314 nan 8.280 nan 0.000 0.470 266 K N 1.965 122.524 120.400 0.264 0.000 2.482 266 K HA 0.344 4.664 4.320 0.000 0.000 0.251 266 K C -1.762 174.939 176.600 0.168 0.000 0.936 266 K CA -0.724 55.652 56.287 0.148 0.000 0.791 266 K CB 1.812 34.365 32.500 0.088 0.000 1.213 266 K HN 0.990 nan 8.250 nan 0.000 0.428 267 N N 2.562 121.345 118.700 0.138 0.000 2.470 267 N HA 0.015 4.755 4.740 0.000 0.000 0.268 267 N C 0.452 176.004 175.510 0.071 0.000 1.136 267 N CA -0.161 52.952 53.050 0.106 0.000 0.961 267 N CB 1.229 39.772 38.487 0.094 0.000 1.067 267 N HN 0.317 nan 8.380 nan 0.000 0.468 268 V N 3.437 123.387 119.914 0.060 0.000 3.608 268 V HA 0.073 4.193 4.120 0.000 0.000 0.269 268 V C 1.203 177.318 176.094 0.035 0.000 1.245 268 V CA 1.060 63.387 62.300 0.045 0.000 1.138 268 V CB -0.445 31.403 31.823 0.041 0.000 0.841 268 V HN 0.732 nan 8.190 nan 0.000 0.451 269 E N 0.197 120.419 120.200 0.036 0.000 2.132 269 E HA -0.047 4.303 4.350 0.000 0.000 0.193 269 E C 2.117 178.733 176.600 0.027 0.000 0.951 269 E CA 1.488 57.905 56.400 0.029 0.000 0.843 269 E CB -0.142 29.575 29.700 0.028 0.000 0.807 269 E HN 0.736 nan 8.360 nan 0.000 0.467 270 T N -2.618 111.955 114.554 0.031 0.000 3.057 270 T HA 0.223 4.573 4.350 0.000 0.000 0.254 270 T C 1.602 176.317 174.700 0.026 0.000 1.094 270 T CA 0.823 62.940 62.100 0.027 0.000 1.088 270 T CB 0.477 69.363 68.868 0.030 0.000 0.934 270 T HN 0.285 nan 8.240 nan 0.000 0.497 271 G N 1.510 110.328 108.800 0.030 0.000 2.189 271 G HA2 -0.313 3.647 3.960 0.000 0.000 0.267 271 G HA3 -0.313 3.647 3.960 0.000 0.000 0.267 271 G C -0.122 174.794 174.900 0.026 0.000 0.975 271 G CA 0.386 45.502 45.100 0.027 0.000 0.644 271 G HN 0.897 nan 8.290 nan 0.000 0.537 272 E N 0.802 121.021 120.200 0.032 0.000 2.415 272 E HA 0.340 4.690 4.350 0.000 0.000 0.263 272 E C 0.033 176.642 176.600 0.016 0.000 0.995 272 E CA 0.028 56.442 56.400 0.023 0.000 0.915 272 E CB 0.231 29.950 29.700 0.032 0.000 0.951 272 E HN 0.476 nan 8.360 nan 0.000 0.449 273 E N 2.025 122.216 120.200 -0.016 0.000 2.175 273 E HA 0.322 4.672 4.350 0.000 0.000 0.278 273 E C -1.302 175.219 176.600 -0.132 0.000 0.969 273 E CA -0.311 56.052 56.400 -0.061 0.000 0.796 273 E CB 1.793 31.464 29.700 -0.048 0.000 1.104 273 E HN 0.339 nan 8.360 nan 0.000 0.395 274 S N 1.886 117.409 115.700 -0.294 0.000 2.618 274 S HA 0.464 4.934 4.470 0.000 0.000 0.277 274 S C -1.352 172.816 174.600 -0.720 0.000 1.138 274 S CA -1.063 56.857 58.200 -0.466 0.000 0.844 274 S CB 1.648 64.524 63.200 -0.540 0.000 1.127 274 S HN 0.579 nan 8.310 nan 0.000 0.474 275 E N 0.588 120.492 120.200 -0.494 0.000 2.413 275 E HA 0.779 5.129 4.350 0.000 0.000 0.277 275 E C -1.931 174.615 176.600 -0.090 0.000 0.958 275 E CA -0.741 55.466 56.400 -0.322 0.000 0.779 275 E CB 2.247 31.861 29.700 -0.143 0.000 1.278 275 E HN 0.397 nan 8.360 nan 0.000 0.456 276 D N 0.114 120.566 120.400 0.087 0.000 2.639 276 D HA 0.341 4.981 4.640 0.000 0.000 0.271 276 D C -1.854 174.429 176.300 -0.028 0.000 1.254 276 D CA -0.482 53.540 54.000 0.037 0.000 0.810 276 D CB 2.468 43.314 40.800 0.076 0.000 1.351 276 D HN 0.333 nan 8.370 nan 0.000 0.427 277 V N 1.816 121.580 119.914 -0.249 0.000 2.513 277 V HA 0.781 4.901 4.120 0.000 0.000 0.299 277 V C -1.568 174.226 176.094 -0.500 0.000 1.035 277 V CA -0.019 62.154 62.300 -0.212 0.000 0.889 277 V CB 0.904 32.641 31.823 -0.144 0.000 0.988 277 V HN 0.524 nan 8.190 nan 0.000 0.440 278 Y N 3.295 123.561 120.300 -0.057 0.000 2.588 278 Y HA 0.501 5.051 4.550 0.000 0.000 0.343 278 Y C 0.777 176.615 175.900 -0.102 0.000 1.065 278 Y CA -0.829 57.219 58.100 -0.087 0.000 1.038 278 Y CB 2.124 40.516 38.460 -0.114 0.000 1.297 278 Y HN 0.600 nan 8.280 nan 0.000 0.467 279 D N 0.083 120.513 120.400 0.050 0.000 2.240 279 D HA 0.047 4.687 4.640 0.000 0.000 0.206 279 D C -0.166 176.094 176.300 -0.065 0.000 0.963 279 D CA 1.214 55.195 54.000 -0.032 0.000 0.863 279 D CB 0.454 41.210 40.800 -0.072 0.000 0.973 279 D HN 0.444 nan 8.370 nan 0.000 0.501 280 T N 0.327 114.827 114.554 -0.091 0.000 2.916 280 T HA 0.445 4.795 4.350 0.000 0.000 0.298 280 T C -0.512 174.009 174.700 -0.298 0.000 1.031 280 T CA -0.583 61.402 62.100 -0.193 0.000 0.993 280 T CB 3.128 71.841 68.868 -0.258 0.000 1.045 280 T HN -0.344 nan 8.240 nan 0.000 0.454 281 V N 3.734 123.406 119.914 -0.404 0.000 2.349 281 V HA 0.425 4.545 4.120 0.000 0.000 0.284 281 V C -0.654 174.945 176.094 -0.825 0.000 1.014 281 V CA -0.773 61.114 62.300 -0.689 0.000 0.826 281 V CB 1.236 32.578 31.823 -0.802 0.000 1.009 281 V HN 0.713 nan 8.190 nan 0.000 0.431 282 L N 6.120 126.932 121.223 -0.685 0.000 2.257 282 L HA 0.547 4.887 4.340 0.000 0.000 0.290 282 L C -0.711 175.851 176.870 -0.513 0.000 1.044 282 L CA -0.156 54.356 54.840 -0.547 0.000 0.810 282 L CB 0.575 42.401 42.059 -0.387 0.000 1.193 282 L HN 0.612 nan 8.230 nan 0.000 0.425 283 W N 5.518 126.673 121.300 -0.242 0.000 2.358 283 W HA 0.581 5.241 4.660 0.000 0.000 0.307 283 W C 0.351 176.729 176.519 -0.234 0.000 1.203 283 W CA -0.839 56.356 57.345 -0.249 0.000 1.279 283 W CB 0.956 30.219 29.460 -0.328 0.000 1.264 283 W HN 0.721 nan 8.180 nan 0.000 0.474 284 A N 5.211 128.050 122.820 0.031 0.000 3.201 284 A HA 0.339 4.659 4.320 0.000 0.000 0.312 284 A C 0.289 177.857 177.584 -0.026 0.000 1.011 284 A CA -0.493 51.520 52.037 -0.039 0.000 0.987 284 A CB -0.788 18.150 19.000 -0.103 0.000 1.060 284 A HN 0.797 nan 8.150 nan 0.000 0.505 285 I N -2.998 117.571 120.570 -0.001 0.000 3.889 285 I HA 0.623 4.793 4.170 0.000 0.000 0.332 285 I C 0.561 176.669 176.117 -0.015 0.000 1.493 285 I CA 0.146 61.441 61.300 -0.009 0.000 1.158 285 I CB 0.087 38.078 38.000 -0.015 0.000 1.117 285 I HN 0.485 nan 8.210 nan 0.000 0.411 286 G N 1.406 110.194 108.800 -0.019 0.000 2.371 286 G HA2 0.070 4.031 3.960 0.000 0.000 0.663 286 G HA3 0.070 4.031 3.960 0.000 0.000 0.663 286 G C -1.211 173.696 174.900 0.011 0.000 1.311 286 G CA -1.171 43.927 45.100 -0.004 0.000 0.985 286 G HN 0.355 nan 8.290 nan 0.000 0.566 287 R N -0.294 120.226 120.500 0.032 0.000 2.621 287 R HA 0.597 4.937 4.340 0.000 0.000 0.284 287 R C -0.485 175.854 176.300 0.064 0.000 0.998 287 R CA -0.982 55.152 56.100 0.056 0.000 0.895 287 R CB 2.586 32.927 30.300 0.068 0.000 1.195 287 R HN 0.565 nan 8.270 nan 0.000 0.450 288 K N 1.367 121.813 120.400 0.076 0.000 2.235 288 K HA 0.346 4.666 4.320 0.000 0.000 0.266 288 K C -0.017 176.634 176.600 0.085 0.000 0.980 288 K CA -0.458 55.874 56.287 0.075 0.000 0.849 288 K CB 1.482 34.026 32.500 0.073 0.000 1.098 288 K HN 0.806 nan 8.250 nan 0.000 0.445 289 G N 3.256 112.105 108.800 0.082 0.000 2.484 289 G HA2 0.084 4.044 3.960 0.000 0.000 0.235 289 G HA3 0.084 4.044 3.960 0.000 0.000 0.235 289 G C 0.137 175.089 174.900 0.086 0.000 1.282 289 G CA -0.453 44.700 45.100 0.087 0.000 0.857 289 G HN 0.681 nan 8.290 nan 0.000 0.571 290 L N 3.023 124.302 121.223 0.093 0.000 2.934 290 L HA 0.095 4.435 4.340 0.000 0.000 0.233 290 L C 1.889 178.808 176.870 0.082 0.000 1.358 290 L CA -0.544 54.350 54.840 0.089 0.000 1.233 290 L CB 0.268 42.388 42.059 0.102 0.000 1.594 290 L HN 0.565 nan 8.230 nan 0.000 0.439 291 V N -3.885 116.072 119.914 0.072 0.000 2.809 291 V HA -0.134 3.986 4.120 0.000 0.000 0.256 291 V C 1.829 177.957 176.094 0.056 0.000 1.080 291 V CA 1.129 63.468 62.300 0.066 0.000 1.102 291 V CB -0.484 31.370 31.823 0.051 0.000 0.705 291 V HN 0.516 nan 8.190 nan 0.000 0.475 292 D N 1.351 121.781 120.400 0.049 0.000 2.103 292 D HA -0.244 4.396 4.640 0.000 0.000 0.190 292 D C 1.637 177.958 176.300 0.035 0.000 0.997 292 D CA 2.073 56.095 54.000 0.036 0.000 0.833 292 D CB -0.658 40.162 40.800 0.034 0.000 0.961 292 D HN 0.446 nan 8.370 nan 0.000 0.447 293 D N -0.227 120.196 120.400 0.039 0.000 2.347 293 D HA 0.037 4.677 4.640 0.000 0.000 0.215 293 D C 2.130 178.447 176.300 0.029 0.000 0.976 293 D CA 0.032 54.047 54.000 0.025 0.000 0.884 293 D CB -0.056 40.757 40.800 0.021 0.000 0.915 293 D HN 0.244 nan 8.370 nan 0.000 0.526 294 L N 0.251 121.511 121.223 0.062 0.000 2.313 294 L HA -0.038 4.302 4.340 0.000 0.000 0.214 294 L C 0.084 177.050 176.870 0.159 0.000 1.119 294 L CA 0.169 55.076 54.840 0.113 0.000 0.809 294 L CB -0.311 41.864 42.059 0.193 0.000 0.933 294 L HN -0.048 nan 8.230 nan 0.000 0.449 295 N N 0.249 119.004 118.700 0.091 0.000 2.696 295 N HA -0.210 4.530 4.740 0.000 0.000 0.256 295 N C 0.802 176.355 175.510 0.073 0.000 1.031 295 N CA 0.474 53.565 53.050 0.068 0.000 0.730 295 N CB -1.513 37.009 38.487 0.057 0.000 0.894 295 N HN 0.281 nan 8.380 nan 0.000 0.544 296 L N -0.172 121.070 121.223 0.032 0.000 2.043 296 L HA -0.156 4.184 4.340 0.000 0.000 0.212 296 L C -0.387 176.401 176.870 -0.138 0.000 1.075 296 L CA 1.571 56.356 54.840 -0.092 0.000 0.752 296 L CB -1.293 40.715 42.059 -0.085 0.000 0.891 296 L HN 0.228 nan 8.230 nan 0.000 0.432 297 P HA -0.208 nan 4.420 nan 0.000 0.217 297 P C 0.925 178.176 177.300 -0.082 0.000 1.151 297 P CA 1.654 64.709 63.100 -0.076 0.000 0.849 297 P CB -0.253 31.420 31.700 -0.044 0.000 0.787 298 N N -0.818 117.848 118.700 -0.057 0.000 2.192 298 N HA -0.157 4.583 4.740 0.000 0.000 0.188 298 N C 1.580 177.024 175.510 -0.110 0.000 1.013 298 N CA 1.007 54.030 53.050 -0.045 0.000 0.863 298 N CB -0.329 38.171 38.487 0.021 0.000 0.990 298 N HN 0.135 nan 8.380 nan 0.000 0.430 299 A N 0.129 122.796 122.820 -0.256 0.000 2.132 299 A HA 0.334 4.654 4.320 0.000 0.000 0.213 299 A C 1.669 179.057 177.584 -0.327 0.000 1.154 299 A CA 0.866 52.631 52.037 -0.454 0.000 0.753 299 A CB -0.076 18.228 19.000 -1.160 0.000 0.826 299 A HN 0.332 nan 8.150 nan 0.000 0.469 300 G N -1.353 107.305 108.800 -0.237 0.000 2.141 300 G HA2 -0.185 3.775 3.960 0.000 0.000 0.242 300 G HA3 -0.185 3.775 3.960 0.000 0.000 0.242 300 G C 0.135 174.922 174.900 -0.188 0.000 0.982 300 G CA 0.116 45.112 45.100 -0.173 0.000 0.662 300 G HN 0.772 nan 8.290 nan 0.000 0.527 301 V N 2.136 121.904 119.914 -0.243 0.000 2.508 301 V HA 0.520 4.640 4.120 0.000 0.000 0.281 301 V C 1.321 177.330 176.094 -0.142 0.000 1.041 301 V CA 0.459 62.630 62.300 -0.215 0.000 1.016 301 V CB 1.178 32.834 31.823 -0.278 0.000 0.984 301 V HN 0.751 nan 8.190 nan 0.000 0.478 302 T N 4.102 118.586 114.554 -0.116 0.000 2.897 302 T HA 0.558 4.908 4.350 0.000 0.000 0.294 302 T C -0.416 174.238 174.700 -0.077 0.000 1.004 302 T CA -0.389 61.657 62.100 -0.090 0.000 1.106 302 T CB 1.331 70.148 68.868 -0.085 0.000 0.949 302 T HN 0.328 nan 8.240 nan 0.000 0.520 303 V N 2.967 122.841 119.914 -0.067 0.000 3.103 303 V HA 0.609 4.729 4.120 0.000 0.000 0.318 303 V C -0.442 175.607 176.094 -0.074 0.000 1.114 303 V CA -0.929 61.340 62.300 -0.051 0.000 1.020 303 V CB 2.157 33.962 31.823 -0.030 0.000 1.085 303 V HN 1.024 nan 8.190 nan 0.000 0.446 304 Q N 2.576 122.331 119.800 -0.075 0.000 2.616 304 Q HA 0.440 4.780 4.340 0.000 0.000 0.250 304 Q C -0.061 175.906 176.000 -0.056 0.000 0.991 304 Q CA -0.309 55.410 55.803 -0.139 0.000 0.707 304 Q CB 0.436 28.985 28.738 -0.315 0.000 1.247 304 Q HN 0.667 nan 8.270 nan 0.000 0.491 305 K N 0.741 121.120 120.400 -0.035 0.000 1.779 305 K HA -0.274 4.046 4.320 0.000 0.000 0.128 305 K C 0.139 176.755 176.600 0.028 0.000 1.288 305 K CA 1.812 58.102 56.287 0.006 0.000 0.398 305 K CB -1.231 31.286 32.500 0.028 0.000 0.609 305 K HN 0.863 nan 8.250 nan 0.000 0.874 306 D N 2.128 122.560 120.400 0.053 0.000 2.363 306 D HA -0.013 4.627 4.640 0.000 0.000 0.226 306 D C 0.145 176.492 176.300 0.079 0.000 1.020 306 D CA 0.964 55.001 54.000 0.062 0.000 0.892 306 D CB 0.245 41.084 40.800 0.065 0.000 0.900 306 D HN 0.101 nan 8.370 nan 0.000 0.531 307 K N 0.374 120.834 120.400 0.100 0.000 2.306 307 K HA 0.554 4.874 4.320 0.000 0.000 0.236 307 K C -0.094 176.565 176.600 0.098 0.000 1.013 307 K CA -0.948 55.416 56.287 0.129 0.000 0.857 307 K CB 2.183 34.828 32.500 0.241 0.000 1.214 307 K HN -0.013 nan 8.250 nan 0.000 0.449 308 I N 3.255 123.886 120.570 0.102 0.000 2.382 308 I HA 0.237 4.407 4.170 0.000 0.000 0.286 308 I C -2.286 173.881 176.117 0.084 0.000 1.002 308 I CA -2.325 59.011 61.300 0.061 0.000 1.135 308 I CB 1.952 39.981 38.000 0.049 0.000 1.288 308 I HN 0.128 nan 8.210 nan 0.000 0.448 309 P HA 0.190 nan 4.420 nan 0.000 0.276 309 P C -0.674 176.639 177.300 0.022 0.000 1.230 309 P CA -0.143 62.990 63.100 0.055 0.000 0.776 309 P CB 1.127 32.803 31.700 -0.041 0.000 0.888 310 V N -0.321 119.614 119.914 0.036 0.000 3.102 310 V HA 0.666 4.786 4.120 0.000 0.000 0.312 310 V C -0.159 175.951 176.094 0.027 0.000 1.135 310 V CA -1.104 61.210 62.300 0.022 0.000 1.022 310 V CB 1.936 33.792 31.823 0.054 0.000 1.056 310 V HN 0.505 nan 8.190 nan 0.000 0.436 311 D N 0.913 121.329 120.400 0.027 0.000 2.469 311 D HA 0.241 4.881 4.640 0.000 0.000 0.278 311 D C 1.314 177.661 176.300 0.077 0.000 1.231 311 D CA 0.204 54.227 54.000 0.038 0.000 1.075 311 D CB 0.651 41.465 40.800 0.023 0.000 1.121 311 D HN 0.848 nan 8.370 nan 0.000 0.571 312 S N -2.104 113.647 115.700 0.084 0.000 2.607 312 S HA -0.093 4.377 4.470 0.000 0.000 0.224 312 S C 1.034 175.715 174.600 0.136 0.000 0.969 312 S CA 0.356 58.627 58.200 0.118 0.000 0.927 312 S CB -0.498 62.759 63.200 0.095 0.000 0.772 312 S HN 0.513 nan 8.310 nan 0.000 0.533 313 Q N 0.485 120.367 119.800 0.136 0.000 2.188 313 Q HA 0.152 4.492 4.340 0.000 0.000 0.212 313 Q C -0.489 175.664 176.000 0.255 0.000 0.846 313 Q CA -0.129 55.773 55.803 0.165 0.000 0.989 313 Q CB 0.302 29.142 28.738 0.170 0.000 1.114 313 Q HN 0.462 nan 8.270 nan 0.000 0.488 314 E N -2.061 118.274 120.200 0.225 0.000 3.170 314 E HA -0.230 4.120 4.350 0.000 0.000 0.284 314 E C -0.327 176.424 176.600 0.251 0.000 0.967 314 E CA 1.052 57.599 56.400 0.246 0.000 0.919 314 E CB -2.136 27.721 29.700 0.262 0.000 1.469 314 E HN 0.422 nan 8.360 nan 0.000 0.444 315 A N 1.175 124.062 122.820 0.111 0.000 2.363 315 A HA 0.502 4.822 4.320 0.000 0.000 0.270 315 A C 1.164 178.641 177.584 -0.178 0.000 1.121 315 A CA 0.353 52.224 52.037 -0.276 0.000 0.800 315 A CB 0.544 19.339 19.000 -0.342 0.000 1.052 315 A HN 0.340 nan 8.150 nan 0.000 0.493 316 T N 0.168 114.577 114.554 -0.241 0.000 2.753 316 T HA 0.065 4.415 4.350 0.000 0.000 0.309 316 T C 1.217 175.818 174.700 -0.166 0.000 1.043 316 T CA 0.179 62.182 62.100 -0.161 0.000 0.964 316 T CB 0.135 68.909 68.868 -0.157 0.000 1.206 316 T HN 0.728 nan 8.240 nan 0.000 0.528 317 N N -0.371 118.247 118.700 -0.137 0.000 2.512 317 N HA -0.041 4.699 4.740 0.000 0.000 0.183 317 N C 0.155 175.582 175.510 -0.138 0.000 1.073 317 N CA 0.209 53.187 53.050 -0.120 0.000 0.911 317 N CB -0.475 37.952 38.487 -0.100 0.000 0.964 317 N HN 0.395 nan 8.380 nan 0.000 0.447 318 V N 1.603 121.410 119.914 -0.179 0.000 2.348 318 V HA 0.379 4.499 4.120 0.000 0.000 0.270 318 V C 1.399 177.360 176.094 -0.222 0.000 1.037 318 V CA -0.487 61.700 62.300 -0.188 0.000 0.872 318 V CB 0.682 32.368 31.823 -0.228 0.000 1.002 318 V HN 0.286 nan 8.190 nan 0.000 0.464 319 A N 4.577 127.298 122.820 -0.166 0.000 2.125 319 A HA -0.126 4.194 4.320 0.000 0.000 0.219 319 A C 1.795 179.287 177.584 -0.153 0.000 1.156 319 A CA 1.623 53.559 52.037 -0.169 0.000 0.671 319 A CB -0.365 18.599 19.000 -0.061 0.000 0.794 319 A HN 0.905 nan 8.150 nan 0.000 0.459 320 N N -0.268 118.375 118.700 -0.096 0.000 2.336 320 N HA 0.108 4.848 4.740 0.000 0.000 0.189 320 N C -0.090 175.474 175.510 0.090 0.000 1.113 320 N CA 0.079 53.151 53.050 0.037 0.000 0.858 320 N CB 0.061 38.560 38.487 0.019 0.000 0.970 320 N HN 0.446 nan 8.380 nan 0.000 0.471 321 I N 1.286 121.783 120.570 -0.121 0.000 2.410 321 I HA 0.318 4.488 4.170 0.000 0.000 0.286 321 I C -1.072 174.889 176.117 -0.259 0.000 1.009 321 I CA -0.912 60.375 61.300 -0.021 0.000 1.111 321 I CB 0.934 38.865 38.000 -0.116 0.000 1.262 321 I HN -0.192 nan 8.210 nan 0.000 0.443 322 Y N 4.201 124.557 120.300 0.094 0.000 2.528 322 Y HA 0.818 5.368 4.550 0.000 0.000 0.335 322 Y C 0.326 176.285 175.900 0.099 0.000 1.093 322 Y CA -0.892 57.254 58.100 0.077 0.000 1.134 322 Y CB 1.914 40.416 38.460 0.070 0.000 1.253 322 Y HN 0.572 nan 8.280 nan 0.000 0.478 323 A N 1.077 124.029 122.820 0.221 0.000 2.454 323 A HA 0.859 5.179 4.320 0.000 0.000 0.302 323 A C -1.707 175.981 177.584 0.174 0.000 1.079 323 A CA -0.782 51.361 52.037 0.178 0.000 0.731 323 A CB 1.854 20.927 19.000 0.122 0.000 1.299 323 A HN 0.660 nan 8.150 nan 0.000 0.413 324 V N 0.687 120.694 119.914 0.155 0.000 3.120 324 V HA 0.803 4.923 4.120 0.000 0.000 0.303 324 V C 0.357 176.530 176.094 0.132 0.000 1.238 324 V CA 1.193 63.584 62.300 0.152 0.000 1.008 324 V CB 1.670 33.581 31.823 0.145 0.000 1.064 324 V HN 2.935 nan 8.190 nan 0.000 0.434 325 G N 4.718 113.602 108.800 0.139 0.000 2.632 325 G HA2 -0.181 3.779 3.960 0.000 0.000 0.224 325 G HA3 -0.181 3.779 3.960 0.000 0.000 0.224 325 G C 0.122 175.081 174.900 0.099 0.000 1.341 325 G CA 0.484 45.656 45.100 0.120 0.000 0.880 325 G HN 0.961 nan 8.290 nan 0.000 0.566 326 D N 0.001 120.458 120.400 0.094 0.000 2.191 326 D HA -0.165 4.475 4.640 0.000 0.000 0.195 326 D C 2.482 178.826 176.300 0.073 0.000 1.003 326 D CA 2.205 56.253 54.000 0.081 0.000 0.867 326 D CB -0.307 40.550 40.800 0.095 0.000 0.926 326 D HN 0.714 nan 8.370 nan 0.000 0.450 327 I N -0.904 119.718 120.570 0.087 0.000 3.001 327 I HA -0.011 4.159 4.170 0.000 0.000 0.268 327 I C 1.145 177.312 176.117 0.083 0.000 1.267 327 I CA 0.204 61.557 61.300 0.088 0.000 1.472 327 I CB -0.506 37.554 38.000 0.099 0.000 1.089 327 I HN -0.042 nan 8.210 nan 0.000 0.468 328 I N 0.847 121.457 120.570 0.066 0.000 2.696 328 I HA 0.004 4.174 4.170 0.000 0.000 0.284 328 I C -0.212 175.930 176.117 0.042 0.000 1.129 328 I CA -0.500 60.833 61.300 0.053 0.000 1.410 328 I CB 0.908 38.920 38.000 0.021 0.000 1.399 328 I HN 0.103 nan 8.210 nan 0.000 0.579 329 Y N 5.513 125.789 120.300 -0.040 0.000 2.335 329 Y HA 0.413 4.963 4.550 0.000 0.000 0.331 329 Y C 0.889 176.742 175.900 -0.079 0.000 1.094 329 Y CA 0.269 58.342 58.100 -0.045 0.000 1.253 329 Y CB 0.879 39.317 38.460 -0.037 0.000 1.203 329 Y HN 0.789 nan 8.280 nan 0.000 0.508 330 G N 3.637 111.831 108.800 -1.011 0.000 2.136 330 G HA2 -0.211 3.749 3.960 0.000 0.000 0.242 330 G HA3 -0.211 3.749 3.960 0.000 0.000 0.242 330 G C -0.154 174.494 174.900 -0.421 0.000 0.989 330 G CA -0.050 44.536 45.100 -0.857 0.000 0.682 330 G HN 0.468 nan 8.290 nan 0.000 0.522 331 K N -0.030 120.161 120.400 -0.347 0.000 2.295 331 K HA 0.594 4.914 4.320 0.000 0.000 0.239 331 K C -2.531 173.983 176.600 -0.144 0.000 0.991 331 K CA -2.133 53.969 56.287 -0.307 0.000 0.845 331 K CB 1.210 33.385 32.500 -0.542 0.000 1.197 331 K HN -0.043 nan 8.250 nan 0.000 0.441 332 P HA 0.053 nan 4.420 nan 0.000 0.263 332 P C -0.870 176.461 177.300 0.052 0.000 1.195 332 P CA 0.208 63.316 63.100 0.013 0.000 0.762 332 P CB 0.256 31.990 31.700 0.056 0.000 0.799 333 E N 3.157 123.396 120.200 0.065 0.000 1.998 333 E HA 0.355 4.705 4.350 0.000 0.000 0.257 333 E C -0.383 176.290 176.600 0.122 0.000 1.038 333 E CA -0.156 56.303 56.400 0.097 0.000 0.869 333 E CB 0.031 29.796 29.700 0.109 0.000 1.135 333 E HN 0.371 nan 8.360 nan 0.000 0.430 334 L N 0.557 121.839 121.223 0.098 0.000 2.424 334 L HA 0.284 4.624 4.340 0.000 0.000 0.258 334 L C 1.215 178.129 176.870 0.073 0.000 0.995 334 L CA -0.640 54.247 54.840 0.079 0.000 0.821 334 L CB 2.121 44.205 42.059 0.041 0.000 1.383 334 L HN 0.236 nan 8.230 nan 0.000 0.410 335 T N 0.516 115.106 114.554 0.061 0.000 2.674 335 T HA -0.065 4.285 4.350 0.000 0.000 0.265 335 T C -1.241 173.480 174.700 0.034 0.000 1.039 335 T CA 1.798 63.927 62.100 0.048 0.000 1.150 335 T CB -0.586 68.303 68.868 0.035 0.000 0.864 335 T HN 0.467 nan 8.240 nan 0.000 0.427 336 P HA 0.071 nan 4.420 nan 0.000 0.223 336 P C 1.435 178.736 177.300 0.001 0.000 1.151 336 P CA 0.352 63.456 63.100 0.007 0.000 0.787 336 P CB -0.133 31.566 31.700 -0.002 0.000 0.788 337 V N 0.425 120.352 119.914 0.021 0.000 2.307 337 V HA -0.222 3.898 4.120 0.000 0.000 0.245 337 V C 2.485 178.611 176.094 0.054 0.000 1.045 337 V CA 2.263 64.582 62.300 0.032 0.000 1.024 337 V CB -1.628 30.257 31.823 0.104 0.000 0.651 337 V HN 0.104 nan 8.190 nan 0.000 0.449 338 A N -0.338 122.527 122.820 0.074 0.000 1.933 338 A HA -0.146 4.174 4.320 0.000 0.000 0.218 338 A C 2.373 179.986 177.584 0.048 0.000 1.175 338 A CA 2.038 54.124 52.037 0.081 0.000 0.628 338 A CB -0.605 18.444 19.000 0.081 0.000 0.814 338 A HN 0.336 nan 8.150 nan 0.000 0.444 339 V N -0.556 119.374 119.914 0.026 0.000 2.307 339 V HA -0.182 3.938 4.120 0.000 0.000 0.245 339 V C 2.459 178.550 176.094 -0.006 0.000 1.045 339 V CA 1.883 64.189 62.300 0.009 0.000 1.024 339 V CB -0.631 31.193 31.823 0.001 0.000 0.651 339 V HN 0.571 nan 8.190 nan 0.000 0.449 340 L N 0.696 121.905 121.223 -0.023 0.000 2.072 340 L HA 0.077 4.417 4.340 0.000 0.000 0.205 340 L C 2.443 179.278 176.870 -0.058 0.000 1.079 340 L CA 2.189 57.000 54.840 -0.049 0.000 0.752 340 L CB -0.968 41.047 42.059 -0.074 0.000 0.906 340 L HN 0.203 nan 8.230 nan 0.000 0.436 341 A N -0.472 122.315 122.820 -0.056 0.000 1.908 341 A HA -0.103 4.217 4.320 0.000 0.000 0.218 341 A C 2.311 179.901 177.584 0.010 0.000 1.181 341 A CA 1.668 53.687 52.037 -0.030 0.000 0.627 341 A CB -1.564 17.465 19.000 0.049 0.000 0.818 341 A HN 0.521 nan 8.150 nan 0.000 0.445 342 G N -0.767 108.048 108.800 0.025 0.000 2.408 342 G HA2 -0.209 3.751 3.960 0.000 0.000 0.217 342 G HA3 -0.209 3.751 3.960 0.000 0.000 0.217 342 G C 1.697 176.599 174.900 0.004 0.000 1.150 342 G CA 1.000 46.116 45.100 0.026 0.000 0.776 342 G HN 0.591 nan 8.290 nan 0.000 0.542 343 R N 0.012 120.509 120.500 -0.005 0.000 2.080 343 R HA 0.022 4.362 4.340 0.000 0.000 0.236 343 R C 2.508 178.794 176.300 -0.023 0.000 1.137 343 R CA 1.328 57.421 56.100 -0.011 0.000 0.943 343 R CB -0.445 29.845 30.300 -0.017 0.000 0.846 343 R HN 0.369 nan 8.270 nan 0.000 0.431 344 L N 0.784 121.985 121.223 -0.035 0.000 2.131 344 L HA -0.172 4.168 4.340 0.000 0.000 0.210 344 L C 2.475 179.310 176.870 -0.058 0.000 1.092 344 L CA 0.510 55.323 54.840 -0.046 0.000 0.759 344 L CB -0.509 41.516 42.059 -0.057 0.000 0.903 344 L HN 0.322 nan 8.230 nan 0.000 0.435 345 L N 0.435 121.622 121.223 -0.060 0.000 1.994 345 L HA -0.129 4.211 4.340 0.000 0.000 0.208 345 L C 2.648 179.420 176.870 -0.164 0.000 1.071 345 L CA 2.138 56.908 54.840 -0.117 0.000 0.745 345 L CB -0.900 41.104 42.059 -0.091 0.000 0.892 345 L HN 0.108 nan 8.230 nan 0.000 0.431 346 A N -0.371 122.400 122.820 -0.082 0.000 1.940 346 A HA -0.270 4.050 4.320 0.000 0.000 0.219 346 A C 2.539 180.111 177.584 -0.020 0.000 1.176 346 A CA 1.956 53.981 52.037 -0.019 0.000 0.631 346 A CB -0.683 18.365 19.000 0.081 0.000 0.814 346 A HN 0.532 nan 8.150 nan 0.000 0.446 347 R N -0.545 119.939 120.500 -0.027 0.000 2.115 347 R HA -0.049 4.291 4.340 0.000 0.000 0.230 347 R C 2.365 178.629 176.300 -0.060 0.000 1.111 347 R CA 1.378 57.466 56.100 -0.020 0.000 0.976 347 R CB -0.165 30.124 30.300 -0.018 0.000 0.870 347 R HN 0.550 nan 8.270 nan 0.000 0.445 348 R N -0.251 120.185 120.500 -0.106 0.000 2.090 348 R HA -0.050 4.290 4.340 0.000 0.000 0.228 348 R C 2.226 178.398 176.300 -0.213 0.000 1.110 348 R CA 1.068 57.092 56.100 -0.126 0.000 0.973 348 R CB -0.233 29.997 30.300 -0.117 0.000 0.869 348 R HN 0.238 nan 8.270 nan 0.000 0.440 349 L N -0.989 120.008 121.223 -0.378 0.000 2.093 349 L HA -0.138 4.202 4.340 0.000 0.000 0.208 349 L C 1.265 177.706 176.870 -0.715 0.000 1.085 349 L CA 1.486 55.904 54.840 -0.703 0.000 0.755 349 L CB -0.026 41.325 42.059 -1.181 0.000 0.904 349 L HN 0.221 nan 8.230 nan 0.000 0.435 350 Y N -2.938 117.339 120.300 -0.038 0.000 2.499 350 Y HA 0.274 4.824 4.550 0.000 0.000 0.253 350 Y C 1.914 177.804 175.900 -0.015 0.000 1.105 350 Y CA 0.051 58.139 58.100 -0.020 0.000 1.240 350 Y CB 0.539 38.988 38.460 -0.019 0.000 1.289 350 Y HN -0.032 nan 8.280 nan 0.000 0.534 351 G N -0.556 108.287 108.800 0.071 0.000 3.159 351 G HA2 0.341 4.301 3.960 0.000 0.000 0.232 351 G HA3 0.341 4.301 3.960 0.000 0.000 0.232 351 G C 1.289 176.200 174.900 0.018 0.000 1.116 351 G CA 0.152 45.280 45.100 0.047 0.000 0.767 351 G HN 0.400 nan 8.290 nan 0.000 0.547 352 G N 0.119 108.922 108.800 0.005 0.000 2.258 352 G HA2 -0.246 3.714 3.960 0.000 0.000 0.274 352 G HA3 -0.246 3.714 3.960 0.000 0.000 0.274 352 G C 0.444 175.338 174.900 -0.009 0.000 1.021 352 G CA 0.719 45.817 45.100 -0.002 0.000 0.798 352 G HN 0.937 nan 8.290 nan 0.000 0.507 353 S N -1.029 114.659 115.700 -0.019 0.000 2.585 353 S HA 0.665 5.135 4.470 0.000 0.000 0.277 353 S C 1.506 176.092 174.600 -0.025 0.000 1.241 353 S CA 0.746 58.933 58.200 -0.021 0.000 1.041 353 S CB 1.114 64.299 63.200 -0.025 0.000 0.987 353 S HN 1.065 nan 8.310 nan 0.000 0.512 354 T N 0.957 115.501 114.554 -0.017 0.000 3.085 354 T HA 0.268 4.618 4.350 0.000 0.000 0.264 354 T C 0.431 175.124 174.700 -0.012 0.000 1.019 354 T CA -0.257 61.836 62.100 -0.012 0.000 0.910 354 T CB -0.091 68.774 68.868 -0.005 0.000 1.059 354 T HN 0.619 nan 8.240 nan 0.000 0.542 355 Q N 1.859 121.647 119.800 -0.019 0.000 2.296 355 Q HA 0.250 4.591 4.340 0.000 0.000 0.262 355 Q C -0.415 175.569 176.000 -0.026 0.000 0.981 355 Q CA -0.218 55.571 55.803 -0.023 0.000 0.905 355 Q CB 0.608 29.328 28.738 -0.029 0.000 1.186 355 Q HN 0.452 nan 8.270 nan 0.000 0.399 356 R N 2.614 123.102 120.500 -0.021 0.000 2.643 356 R HA 0.329 4.669 4.340 0.000 0.000 0.272 356 R C -0.251 176.015 176.300 -0.058 0.000 0.995 356 R CA -0.957 55.134 56.100 -0.014 0.000 1.032 356 R CB 0.855 31.165 30.300 0.017 0.000 1.126 356 R HN 0.560 nan 8.270 nan 0.000 0.505 357 M N 1.836 121.380 119.600 -0.094 0.000 2.239 357 M HA -0.007 4.473 4.480 0.000 0.000 0.348 357 M C -0.515 175.620 176.300 -0.274 0.000 1.239 357 M CA 0.197 55.330 55.300 -0.279 0.000 1.114 357 M CB 0.380 32.657 32.600 -0.537 0.000 1.641 357 M HN 0.298 nan 8.290 nan 0.000 0.453 358 D N 3.962 124.198 120.400 -0.273 0.000 2.428 358 D HA 0.097 4.737 4.640 0.000 0.000 0.221 358 D C -0.514 175.656 176.300 -0.216 0.000 1.123 358 D CA 0.113 54.016 54.000 -0.162 0.000 0.869 358 D CB 0.034 40.784 40.800 -0.084 0.000 1.032 358 D HN 0.661 nan 8.370 nan 0.000 0.506 359 Y N 1.997 122.295 120.300 -0.003 0.000 2.529 359 Y HA 0.103 4.653 4.550 0.000 0.000 0.290 359 Y C 1.084 176.974 175.900 -0.016 0.000 1.177 359 Y CA 0.069 58.163 58.100 -0.010 0.000 1.305 359 Y CB 0.312 38.766 38.460 -0.010 0.000 1.047 359 Y HN -0.018 nan 8.280 nan 0.000 0.522 360 K N 0.646 121.104 120.400 0.097 0.000 2.110 360 K HA 0.093 4.413 4.320 0.000 0.000 0.263 360 K C -0.361 176.257 176.600 0.029 0.000 0.975 360 K CA -0.537 55.786 56.287 0.061 0.000 0.895 360 K CB 0.862 33.394 32.500 0.053 0.000 1.060 360 K HN 0.072 nan 8.250 nan 0.000 0.448 361 D N 0.434 120.846 120.400 0.020 0.000 2.708 361 D HA -0.139 4.501 4.640 0.000 0.000 0.236 361 D C -0.495 175.796 176.300 -0.016 0.000 1.146 361 D CA 0.640 54.641 54.000 0.002 0.000 0.662 361 D CB -1.376 39.429 40.800 0.009 0.000 1.059 361 D HN 0.121 nan 8.370 nan 0.000 0.428 362 V N 0.143 120.049 119.914 -0.014 0.000 2.508 362 V HA 0.449 4.569 4.120 0.000 0.000 0.281 362 V C 1.197 177.260 176.094 -0.052 0.000 1.041 362 V CA -0.217 62.068 62.300 -0.026 0.000 1.016 362 V CB 1.470 33.291 31.823 -0.004 0.000 0.984 362 V HN 0.395 nan 8.190 nan 0.000 0.478 363 A N 4.216 127.001 122.820 -0.058 0.000 2.322 363 A HA 0.711 5.031 4.320 0.000 0.000 0.269 363 A C 0.237 177.771 177.584 -0.083 0.000 1.094 363 A CA -0.059 51.931 52.037 -0.079 0.000 0.807 363 A CB 1.067 20.024 19.000 -0.071 0.000 1.047 363 A HN 0.840 nan 8.150 nan 0.000 0.487 364 T N -0.275 114.211 114.554 -0.114 0.000 2.843 364 T HA 0.676 5.026 4.350 0.000 0.000 0.302 364 T C -0.997 173.576 174.700 -0.211 0.000 1.232 364 T CA -0.277 61.744 62.100 -0.131 0.000 1.009 364 T CB 1.558 70.364 68.868 -0.103 0.000 1.254 364 T HN 0.715 nan 8.240 nan 0.000 0.504 365 T N 2.077 116.450 114.554 -0.302 0.000 2.921 365 T HA 0.519 4.869 4.350 0.000 0.000 0.297 365 T C -0.772 173.573 174.700 -0.593 0.000 1.013 365 T CA -0.476 61.304 62.100 -0.533 0.000 0.990 365 T CB 1.426 69.786 68.868 -0.847 0.000 1.023 365 T HN 0.511 nan 8.240 nan 0.000 0.447 366 V N 3.922 123.555 119.914 -0.469 0.000 2.385 366 V HA 0.311 4.431 4.120 0.000 0.000 0.269 366 V C -0.271 175.647 176.094 -0.294 0.000 1.043 366 V CA -0.415 61.718 62.300 -0.279 0.000 0.906 366 V CB -0.056 31.677 31.823 -0.149 0.000 0.995 366 V HN 0.868 nan 8.190 nan 0.000 0.467 367 F N 3.583 123.493 119.950 -0.067 0.000 2.752 367 F HA 0.203 4.730 4.527 0.000 0.000 0.332 367 F C 1.495 177.124 175.800 -0.287 0.000 1.188 367 F CA -0.488 57.355 58.000 -0.262 0.000 1.296 367 F CB -0.091 38.658 39.000 -0.418 0.000 1.526 367 F HN 0.568 nan 8.300 nan 0.000 0.576 368 T N -2.406 112.180 114.554 0.053 0.000 2.816 368 T HA 0.182 4.532 4.350 0.000 0.000 0.282 368 T C -1.613 173.239 174.700 0.253 0.000 0.993 368 T CA -1.749 60.429 62.100 0.130 0.000 0.994 368 T CB 1.079 70.014 68.868 0.111 0.000 1.025 368 T HN -0.046 nan 8.240 nan 0.000 0.529 369 P HA -0.017 nan 4.420 nan 0.000 0.215 369 P C 0.216 177.697 177.300 0.302 0.000 1.157 369 P CA 0.647 63.931 63.100 0.307 0.000 0.874 369 P CB 0.004 31.821 31.700 0.194 0.000 0.790 370 L N 0.265 121.629 121.223 0.235 0.000 2.265 370 L HA 0.205 4.545 4.340 0.000 0.000 0.289 370 L C 0.063 177.073 176.870 0.234 0.000 1.033 370 L CA -0.526 54.462 54.840 0.247 0.000 0.814 370 L CB 0.344 42.526 42.059 0.205 0.000 1.203 370 L HN -0.092 nan 8.230 nan 0.000 0.423 371 E N 3.661 124.025 120.200 0.274 0.000 2.354 371 E HA 0.114 4.464 4.350 0.000 0.000 0.269 371 E C -1.434 175.324 176.600 0.262 0.000 1.036 371 E CA -0.193 56.334 56.400 0.211 0.000 0.876 371 E CB 0.915 30.737 29.700 0.202 0.000 1.009 371 E HN 0.404 nan 8.360 nan 0.000 0.416 372 Y N 1.836 122.158 120.300 0.036 0.000 2.328 372 Y HA 0.539 5.089 4.550 0.000 0.000 0.333 372 Y C -1.167 174.765 175.900 0.054 0.000 0.958 372 Y CA -1.498 56.654 58.100 0.086 0.000 1.167 372 Y CB 0.674 39.156 38.460 0.037 0.000 1.151 372 Y HN 0.534 nan 8.280 nan 0.000 0.470 373 A N 4.850 127.653 122.820 -0.029 0.000 2.356 373 A HA 0.907 5.227 4.320 0.000 0.000 0.323 373 A C -0.914 176.532 177.584 -0.230 0.000 1.119 373 A CA -0.042 51.851 52.037 -0.240 0.000 0.790 373 A CB 0.457 19.410 19.000 -0.079 0.000 1.273 373 A HN 1.284 nan 8.150 nan 0.000 0.452 374 C N -0.391 118.739 119.300 -0.284 0.000 3.285 374 C HA 0.870 5.330 4.460 0.000 0.000 0.325 374 C C -1.015 173.846 174.990 -0.214 0.000 1.304 374 C CA -0.712 58.154 59.018 -0.254 0.000 1.319 374 C CB 0.696 28.282 27.740 -0.256 0.000 1.640 374 C HN 1.596 nan 8.230 nan 0.000 0.477 375 V N 2.649 122.418 119.914 -0.241 0.000 2.888 375 V HA 0.896 5.016 4.120 0.000 0.000 0.309 375 V C 0.550 176.568 176.094 -0.127 0.000 1.114 375 V CA 1.852 64.061 62.300 -0.153 0.000 0.940 375 V CB 1.580 33.337 31.823 -0.109 0.000 1.021 375 V HN 3.011 nan 8.190 nan 0.000 0.426 376 G N 4.679 113.448 108.800 -0.050 0.000 2.553 376 G HA2 -0.166 3.794 3.960 0.000 0.000 0.242 376 G HA3 -0.166 3.794 3.960 0.000 0.000 0.242 376 G C -0.645 174.300 174.900 0.074 0.000 1.277 376 G CA -0.069 45.046 45.100 0.025 0.000 0.910 376 G HN 1.231 nan 8.290 nan 0.000 0.576 377 L N 1.253 122.575 121.223 0.165 0.000 2.350 377 L HA 0.514 4.854 4.340 0.000 0.000 0.275 377 L C 1.608 178.692 176.870 0.356 0.000 1.099 377 L CA -0.045 54.915 54.840 0.200 0.000 0.808 377 L CB 1.410 43.576 42.059 0.178 0.000 1.149 377 L HN 1.002 nan 8.230 nan 0.000 0.442 378 S N 0.487 116.363 115.700 0.293 0.000 2.589 378 S HA -0.011 4.459 4.470 0.000 0.000 0.265 378 S C 0.916 175.594 174.600 0.130 0.000 1.342 378 S CA -0.287 58.052 58.200 0.231 0.000 1.005 378 S CB 1.069 64.367 63.200 0.162 0.000 0.909 378 S HN 0.790 nan 8.310 nan 0.000 0.555 379 E N 1.044 121.254 120.200 0.017 0.000 2.077 379 E HA -0.228 4.122 4.350 0.000 0.000 0.193 379 E C 2.047 178.678 176.600 0.052 0.000 0.989 379 E CA 1.573 57.996 56.400 0.039 0.000 0.800 379 E CB -0.179 29.509 29.700 -0.019 0.000 0.746 379 E HN 0.863 nan 8.360 nan 0.000 0.452 380 E N 0.580 120.800 120.200 0.033 0.000 2.106 380 E HA -0.220 4.130 4.350 0.000 0.000 0.192 380 E C 1.405 178.021 176.600 0.027 0.000 0.984 380 E CA 1.245 57.661 56.400 0.027 0.000 0.806 380 E CB -0.345 29.367 29.700 0.020 0.000 0.750 380 E HN 0.282 nan 8.360 nan 0.000 0.458 381 D N 1.714 122.136 120.400 0.035 0.000 2.144 381 D HA -0.032 4.608 4.640 0.000 0.000 0.200 381 D C 1.970 178.272 176.300 0.003 0.000 0.978 381 D CA 1.806 55.811 54.000 0.009 0.000 0.833 381 D CB -0.279 40.528 40.800 0.012 0.000 0.961 381 D HN 0.345 nan 8.370 nan 0.000 0.470 382 A N 0.467 123.334 122.820 0.079 0.000 1.930 382 A HA -0.095 4.225 4.320 0.000 0.000 0.217 382 A C 2.489 180.180 177.584 0.179 0.000 1.175 382 A CA 0.921 53.057 52.037 0.164 0.000 0.627 382 A CB -0.614 18.544 19.000 0.265 0.000 0.815 382 A HN 0.132 nan 8.150 nan 0.000 0.443 383 V N 0.400 120.380 119.914 0.109 0.000 2.307 383 V HA -0.259 3.861 4.120 0.000 0.000 0.245 383 V C 2.560 178.672 176.094 0.031 0.000 1.045 383 V CA 2.484 64.833 62.300 0.082 0.000 1.024 383 V CB -0.645 31.208 31.823 0.049 0.000 0.651 383 V HN 0.731 nan 8.190 nan 0.000 0.449 384 K N 0.530 120.925 120.400 -0.008 0.000 2.015 384 K HA -0.303 4.017 4.320 0.000 0.000 0.216 384 K C 2.236 178.764 176.600 -0.120 0.000 1.052 384 K CA 2.427 58.683 56.287 -0.051 0.000 0.937 384 K CB -0.518 31.949 32.500 -0.055 0.000 0.719 384 K HN 0.471 nan 8.250 nan 0.000 0.446 385 Q N -1.772 117.892 119.800 -0.228 0.000 2.167 385 Q HA -0.070 4.270 4.340 0.000 0.000 0.202 385 Q C 1.193 176.816 176.000 -0.629 0.000 0.970 385 Q CA 1.697 57.184 55.803 -0.527 0.000 0.855 385 Q CB 0.107 28.328 28.738 -0.862 0.000 0.911 385 Q HN 0.468 nan 8.270 nan 0.000 0.438 386 F N -1.606 118.313 119.950 -0.052 0.000 2.789 386 F HA 0.354 4.881 4.527 0.000 0.000 0.320 386 F C 0.576 176.384 175.800 0.013 0.000 1.079 386 F CA 0.187 58.174 58.000 -0.021 0.000 1.205 386 F CB 1.569 40.558 39.000 -0.017 0.000 1.046 386 F HN 0.051 nan 8.300 nan 0.000 0.586 387 G N 1.012 109.905 108.800 0.155 0.000 3.039 387 G HA2 0.098 4.058 3.960 0.000 0.000 0.686 387 G HA3 0.098 4.058 3.960 0.000 0.000 0.686 387 G C 0.660 175.627 174.900 0.111 0.000 1.066 387 G CA -0.573 44.592 45.100 0.109 0.000 0.774 387 G HN 0.472 nan 8.290 nan 0.000 0.591 388 A N 2.058 124.920 122.820 0.069 0.000 1.906 388 A HA -0.239 4.081 4.320 0.000 0.000 0.222 388 A C 2.315 179.924 177.584 0.041 0.000 1.282 388 A CA 2.876 54.941 52.037 0.047 0.000 0.675 388 A CB -0.527 18.488 19.000 0.025 0.000 0.838 388 A HN 1.925 nan 8.150 nan 0.000 0.469 389 D N -0.879 119.550 120.400 0.048 0.000 2.384 389 D HA -0.124 4.516 4.640 0.000 0.000 0.222 389 D C 1.116 177.450 176.300 0.056 0.000 0.976 389 D CA 1.211 55.241 54.000 0.049 0.000 0.915 389 D CB -0.340 40.500 40.800 0.065 0.000 0.896 389 D HN 0.565 nan 8.370 nan 0.000 0.523 390 E N -0.288 119.957 120.200 0.075 0.000 2.481 390 E HA 0.120 4.470 4.350 0.000 0.000 0.198 390 E C 0.401 177.016 176.600 0.025 0.000 1.027 390 E CA -0.253 56.187 56.400 0.067 0.000 0.900 390 E CB 1.055 30.839 29.700 0.141 0.000 0.993 390 E HN 0.340 nan 8.360 nan 0.000 0.482 391 I N 1.510 122.104 120.570 0.039 0.000 2.392 391 I HA 0.254 4.424 4.170 0.000 0.000 0.295 391 I C 0.127 176.208 176.117 -0.060 0.000 0.985 391 I CA -0.673 60.653 61.300 0.043 0.000 1.221 391 I CB 1.459 39.525 38.000 0.110 0.000 1.366 391 I HN -0.149 nan 8.210 nan 0.000 0.467 392 E N 4.708 124.857 120.200 -0.084 0.000 2.158 392 E HA 0.500 4.850 4.350 0.000 0.000 0.271 392 E C -1.409 175.104 176.600 -0.146 0.000 0.911 392 E CA -0.452 55.832 56.400 -0.194 0.000 0.767 392 E CB 1.640 31.195 29.700 -0.241 0.000 1.120 392 E HN 0.307 nan 8.360 nan 0.000 0.405 393 V N 5.809 125.584 119.914 -0.231 0.000 2.334 393 V HA 0.382 4.503 4.120 0.000 0.000 0.281 393 V C -0.698 175.267 176.094 -0.215 0.000 1.016 393 V CA -0.644 61.582 62.300 -0.124 0.000 0.832 393 V CB 0.190 31.944 31.823 -0.114 0.000 0.999 393 V HN 0.586 nan 8.190 nan 0.000 0.439 394 F N 4.836 124.796 119.950 0.016 0.000 2.410 394 F HA 0.613 5.140 4.527 0.000 0.000 0.348 394 F C 0.713 176.579 175.800 0.111 0.000 1.106 394 F CA -0.173 57.867 58.000 0.066 0.000 1.163 394 F CB 0.640 39.660 39.000 0.033 0.000 1.129 394 F HN 0.731 nan 8.300 nan 0.000 0.516 395 H N -0.017 119.085 119.070 0.054 0.000 3.008 395 H HA 0.943 5.499 4.556 0.000 0.000 0.354 395 H C -0.765 174.476 175.328 -0.146 0.000 1.252 395 H CA -1.597 54.368 56.048 -0.139 0.000 1.117 395 H CB 2.206 31.891 29.762 -0.129 0.000 1.857 395 H HN 0.841 nan 8.280 nan 0.000 0.547 396 G N 0.158 108.662 108.800 -0.493 0.000 2.616 396 G HA2 0.323 4.283 3.960 0.000 0.000 0.294 396 G HA3 0.323 4.283 3.960 0.000 0.000 0.294 396 G C -2.277 172.405 174.900 -0.364 0.000 1.489 396 G CA -1.010 43.877 45.100 -0.355 0.000 0.836 396 G HN 0.477 nan 8.290 nan 0.000 0.527 397 Y N 0.303 120.599 120.300 -0.007 0.000 2.310 397 Y HA 0.612 5.162 4.550 0.000 0.000 0.326 397 Y C 0.535 176.455 175.900 0.033 0.000 1.151 397 Y CA 0.066 58.181 58.100 0.026 0.000 1.195 397 Y CB 1.569 40.017 38.460 -0.021 0.000 1.210 397 Y HN 0.710 nan 8.280 nan 0.000 0.483 398 Y N -1.311 119.001 120.300 0.020 0.000 2.669 398 Y HA 0.745 5.295 4.550 0.000 0.000 0.335 398 Y C -1.657 174.187 175.900 -0.093 0.000 1.116 398 Y CA -1.903 56.169 58.100 -0.047 0.000 1.081 398 Y CB 1.536 39.927 38.460 -0.114 0.000 1.297 398 Y HN 0.311 nan 8.280 nan 0.000 0.484 399 K N 2.261 122.666 120.400 0.007 0.000 2.579 399 K HA 0.389 4.709 4.320 0.000 0.000 0.250 399 K C -3.090 173.400 176.600 -0.183 0.000 0.952 399 K CA -1.804 54.332 56.287 -0.251 0.000 0.857 399 K CB 1.972 34.348 32.500 -0.208 0.000 1.123 399 K HN 0.395 nan 8.250 nan 0.000 0.433 400 P HA 0.039 nan 4.420 nan 0.000 0.271 400 P C 0.496 177.732 177.300 -0.107 0.000 1.216 400 P CA -0.064 62.913 63.100 -0.204 0.000 0.771 400 P CB 0.747 32.105 31.700 -0.571 0.000 0.864 401 T N 1.505 116.160 114.554 0.169 0.000 2.685 401 T HA -0.223 4.127 4.350 0.000 0.000 0.268 401 T C 1.181 176.115 174.700 0.390 0.000 1.034 401 T CA 1.725 64.061 62.100 0.393 0.000 1.149 401 T CB -0.549 68.479 68.868 0.266 0.000 0.860 401 T HN 0.496 nan 8.240 nan 0.000 0.449 402 E N 0.422 120.814 120.200 0.320 0.000 2.333 402 E HA 0.020 4.371 4.350 0.000 0.000 0.198 402 E C 1.572 178.468 176.600 0.493 0.000 1.007 402 E CA 0.715 57.362 56.400 0.412 0.000 0.845 402 E CB -0.535 29.387 29.700 0.369 0.000 0.766 402 E HN 0.659 nan 8.360 nan 0.000 0.507 403 F N -1.264 118.688 119.950 0.003 0.000 2.569 403 F HA 0.054 4.581 4.527 0.000 0.000 0.295 403 F C 1.304 177.042 175.800 -0.104 0.000 1.115 403 F CA -0.288 57.661 58.000 -0.085 0.000 1.450 403 F CB 0.032 38.903 39.000 -0.215 0.000 1.107 403 F HN 0.004 nan 8.300 nan 0.000 0.563 404 F N 0.781 120.873 119.950 0.237 0.000 2.026 404 F HA -0.283 4.244 4.527 0.000 0.000 0.296 404 F C 2.313 178.129 175.800 0.027 0.000 1.133 404 F CA 1.500 59.565 58.000 0.108 0.000 1.188 404 F CB -0.759 38.290 39.000 0.081 0.000 0.968 404 F HN -0.164 nan 8.300 nan 0.000 0.476 405 I N 0.223 120.892 120.570 0.164 0.000 2.208 405 I HA -0.202 3.968 4.170 0.000 0.000 0.245 405 I C -0.651 175.402 176.117 -0.107 0.000 1.097 405 I CA 1.145 62.382 61.300 -0.106 0.000 1.363 405 I CB -1.578 36.111 38.000 -0.519 0.000 1.051 405 I HN 0.106 nan 8.210 nan 0.000 0.413 406 P HA -0.027 nan 4.420 nan 0.000 0.257 406 P C -0.379 176.919 177.300 -0.004 0.000 1.281 406 P CA 0.361 63.461 63.100 -0.000 0.000 0.826 406 P CB 0.121 31.863 31.700 0.069 0.000 1.237 407 Q N -0.435 119.376 119.800 0.018 0.000 2.463 407 Q HA -0.170 4.170 4.340 0.000 0.000 0.299 407 Q C -0.543 175.442 176.000 -0.026 0.000 1.353 407 Q CA 0.722 56.535 55.803 0.016 0.000 0.828 407 Q CB -1.831 26.916 28.738 0.015 0.000 1.157 407 Q HN 0.468 nan 8.270 nan 0.000 0.436 408 K N 0.524 120.882 120.400 -0.070 0.000 2.144 408 K HA 0.377 4.697 4.320 0.000 0.000 0.270 408 K C 0.402 176.988 176.600 -0.023 0.000 1.005 408 K CA -0.301 55.887 56.287 -0.164 0.000 0.932 408 K CB 1.274 33.428 32.500 -0.578 0.000 1.021 408 K HN 0.130 nan 8.250 nan 0.000 0.462 409 S N 1.100 116.795 115.700 -0.007 0.000 2.549 409 S HA 0.018 4.488 4.470 0.000 0.000 0.286 409 S C 0.696 175.362 174.600 0.111 0.000 1.314 409 S CA -0.701 57.517 58.200 0.030 0.000 1.062 409 S CB 0.281 63.503 63.200 0.037 0.000 0.865 409 S HN 0.473 nan 8.310 nan 0.000 0.498 410 V N 4.156 124.065 119.914 -0.009 0.000 3.276 410 V HA 0.416 4.536 4.120 0.000 0.000 0.319 410 V C 1.737 177.724 176.094 -0.178 0.000 1.427 410 V CA 0.057 62.302 62.300 -0.091 0.000 1.102 410 V CB -0.551 31.158 31.823 -0.191 0.000 1.020 410 V HN 0.896 nan 8.190 nan 0.000 0.456 411 R N 0.155 120.509 120.500 -0.243 0.000 2.152 411 R HA -0.080 4.261 4.340 0.000 0.000 0.232 411 R C 1.177 177.104 176.300 -0.621 0.000 1.117 411 R CA 2.031 57.810 56.100 -0.535 0.000 0.981 411 R CB -0.081 29.797 30.300 -0.704 0.000 0.870 411 R HN 0.680 nan 8.270 nan 0.000 0.451 412 Y N -1.817 118.502 120.300 0.032 0.000 2.531 412 Y HA 0.226 4.776 4.550 0.000 0.000 0.249 412 Y C 0.070 175.976 175.900 0.009 0.000 1.168 412 Y CA -0.926 57.210 58.100 0.059 0.000 1.226 412 Y CB 0.725 39.196 38.460 0.018 0.000 1.177 412 Y HN -0.040 nan 8.280 nan 0.000 0.527 413 C N 2.274 121.542 119.300 -0.055 0.000 2.345 413 C HA 0.253 4.713 4.460 0.000 0.000 0.349 413 C C -0.394 174.380 174.990 -0.359 0.000 1.130 413 C CA -0.246 58.471 59.018 -0.502 0.000 1.574 413 C CB -2.507 24.542 27.740 -1.152 0.000 2.108 413 C HN 0.375 nan 8.230 nan 0.000 0.516 414 Y N 4.464 124.622 120.300 -0.237 0.000 2.479 414 Y HA 0.717 5.267 4.550 0.000 0.000 0.338 414 Y C -0.806 175.018 175.900 -0.126 0.000 1.055 414 Y CA -1.101 56.823 58.100 -0.293 0.000 1.023 414 Y CB 0.894 39.078 38.460 -0.460 0.000 1.287 414 Y HN 0.665 nan 8.280 nan 0.000 0.447 415 L N 3.681 124.509 121.223 -0.658 0.000 2.359 415 L HA 0.892 5.232 4.340 0.000 0.000 0.256 415 L C -1.998 174.532 176.870 -0.566 0.000 1.026 415 L CA -1.161 53.389 54.840 -0.484 0.000 0.828 415 L CB 2.769 44.472 42.059 -0.594 0.000 1.406 415 L HN 0.735 nan 8.230 nan 0.000 0.413 416 K N 0.925 121.267 120.400 -0.096 0.000 2.575 416 K HA 0.865 5.186 4.320 0.000 0.000 0.279 416 K C -1.965 174.814 176.600 0.297 0.000 0.969 416 K CA -0.608 55.712 56.287 0.055 0.000 0.868 416 K CB 2.128 34.651 32.500 0.038 0.000 1.457 416 K HN 0.923 nan 8.250 nan 0.000 0.426 417 A N 1.815 124.797 122.820 0.269 0.000 2.330 417 A HA 0.585 4.905 4.320 0.000 0.000 0.313 417 A C -1.044 176.687 177.584 0.245 0.000 1.124 417 A CA -0.802 51.383 52.037 0.248 0.000 0.774 417 A CB 1.437 20.537 19.000 0.167 0.000 1.198 417 A HN 0.384 nan 8.150 nan 0.000 0.465 418 V N 2.222 122.273 119.914 0.228 0.000 2.350 418 V HA 0.680 4.800 4.120 0.000 0.000 0.276 418 V C 0.490 176.670 176.094 0.143 0.000 1.028 418 V CA 0.191 62.618 62.300 0.212 0.000 0.860 418 V CB 0.730 32.717 31.823 0.272 0.000 0.990 418 V HN 1.204 nan 8.190 nan 0.000 0.453 419 A N 3.584 126.439 122.820 0.058 0.000 2.469 419 A HA 0.704 5.024 4.320 0.000 0.000 0.299 419 A C -0.341 177.032 177.584 -0.351 0.000 1.098 419 A CA -0.752 51.159 52.037 -0.210 0.000 0.737 419 A CB 1.234 20.221 19.000 -0.023 0.000 1.312 419 A HN 0.766 nan 8.150 nan 0.000 0.414 420 E N 0.520 120.252 120.200 -0.781 0.000 2.417 420 E HA 0.028 4.378 4.350 0.000 0.000 0.261 420 E C 1.042 177.507 176.600 -0.224 0.000 1.000 420 E CA -0.056 56.066 56.400 -0.464 0.000 0.919 420 E CB 0.516 29.935 29.700 -0.468 0.000 0.955 420 E HN 0.634 nan 8.360 nan 0.000 0.455 421 R N 3.878 124.258 120.500 -0.200 0.000 2.066 421 R HA -0.087 4.253 4.340 0.000 0.000 0.232 421 R C 0.552 176.609 176.300 -0.404 0.000 1.131 421 R CA 1.159 57.056 56.100 -0.339 0.000 0.955 421 R CB 0.160 30.152 30.300 -0.513 0.000 0.851 421 R HN 0.603 nan 8.270 nan 0.000 0.432 422 H N -2.238 116.823 119.070 -0.016 0.000 2.960 422 H HA 0.389 4.945 4.556 0.000 0.000 0.302 422 H C 0.785 176.099 175.328 -0.023 0.000 1.515 422 H CA -0.127 55.915 56.048 -0.009 0.000 1.431 422 H CB 0.625 30.387 29.762 0.001 0.000 1.890 422 H HN 0.358 nan 8.280 nan 0.000 0.762 423 G N 0.546 109.432 108.800 0.143 0.000 2.556 423 G HA2 -0.331 3.629 3.960 0.000 0.000 0.283 423 G HA3 -0.331 3.629 3.960 0.000 0.000 0.283 423 G C 0.612 175.525 174.900 0.021 0.000 1.177 423 G CA 0.658 45.793 45.100 0.058 0.000 0.978 423 G HN 0.630 nan 8.290 nan 0.000 0.554 424 D N 1.582 121.978 120.400 -0.007 0.000 2.269 424 D HA 0.046 4.686 4.640 0.000 0.000 0.208 424 D C 1.323 177.587 176.300 -0.060 0.000 0.963 424 D CA 1.336 55.319 54.000 -0.029 0.000 0.864 424 D CB -0.032 40.749 40.800 -0.030 0.000 0.936 424 D HN 0.658 nan 8.370 nan 0.000 0.505 425 Q N -0.016 119.733 119.800 -0.085 0.000 2.478 425 Q HA -0.216 4.124 4.340 0.000 0.000 0.286 425 Q C -0.144 175.731 176.000 -0.209 0.000 1.299 425 Q CA 0.098 55.821 55.803 -0.133 0.000 0.826 425 Q CB -1.336 27.362 28.738 -0.068 0.000 1.199 425 Q HN 0.099 nan 8.270 nan 0.000 0.451 426 R N 0.438 120.780 120.500 -0.263 0.000 2.537 426 R HA 0.129 4.469 4.340 0.000 0.000 0.281 426 R C -0.474 175.540 176.300 -0.476 0.000 0.988 426 R CA 0.386 56.309 56.100 -0.296 0.000 1.077 426 R CB 0.613 30.774 30.300 -0.232 0.000 0.932 426 R HN 0.132 nan 8.270 nan 0.000 0.409 427 V N 7.424 127.169 119.914 -0.281 0.000 2.508 427 V HA 0.038 4.158 4.120 0.000 0.000 0.281 427 V C 0.517 176.518 176.094 -0.155 0.000 1.041 427 V CA 0.282 62.445 62.300 -0.229 0.000 1.016 427 V CB 0.811 32.556 31.823 -0.130 0.000 0.984 427 V HN 0.844 nan 8.190 nan 0.000 0.478 428 Y N 2.833 123.142 120.300 0.014 0.000 2.503 428 Y HA 0.439 4.989 4.550 0.000 0.000 0.277 428 Y C 1.358 177.296 175.900 0.065 0.000 1.102 428 Y CA 0.202 58.331 58.100 0.048 0.000 1.261 428 Y CB 0.854 39.367 38.460 0.088 0.000 1.096 428 Y HN 0.704 nan 8.280 nan 0.000 0.546 429 G N 0.372 109.294 108.800 0.203 0.000 2.755 429 G HA2 0.580 4.540 3.960 0.000 0.000 0.297 429 G HA3 0.580 4.540 3.960 0.000 0.000 0.297 429 G C -1.988 172.973 174.900 0.101 0.000 1.441 429 G CA -0.649 44.553 45.100 0.169 0.000 0.964 429 G HN -0.032 nan 8.290 nan 0.000 0.540 430 L N 2.270 123.431 121.223 -0.103 0.000 2.408 430 L HA 0.641 4.981 4.340 0.000 0.000 0.268 430 L C -0.777 175.982 176.870 -0.185 0.000 0.986 430 L CA -0.994 53.790 54.840 -0.093 0.000 0.820 430 L CB 2.650 44.446 42.059 -0.439 0.000 1.303 430 L HN 0.512 nan 8.230 nan 0.000 0.411 431 H N 2.447 121.744 119.070 0.379 0.000 2.771 431 H HA 0.397 4.953 4.556 0.000 0.000 0.361 431 H C -1.888 173.767 175.328 0.546 0.000 1.108 431 H CA -0.582 55.753 56.048 0.479 0.000 1.201 431 H CB 3.160 33.184 29.762 0.436 0.000 1.681 431 H HN 0.594 nan 8.280 nan 0.000 0.534 432 Y N 2.690 123.288 120.300 0.496 0.000 2.399 432 Y HA 0.408 4.958 4.550 0.000 0.000 0.327 432 Y C -1.780 174.362 175.900 0.403 0.000 1.111 432 Y CA -0.674 57.603 58.100 0.295 0.000 1.047 432 Y CB 1.105 39.685 38.460 0.201 0.000 1.259 432 Y HN 0.501 nan 8.280 nan 0.000 0.434 433 I N 6.804 127.416 120.570 0.070 0.000 2.354 433 I HA 0.831 5.001 4.170 0.000 0.000 0.292 433 I C 0.359 176.279 176.117 -0.327 0.000 0.989 433 I CA -0.196 61.128 61.300 0.040 0.000 1.188 433 I CB 1.359 39.417 38.000 0.097 0.000 1.342 433 I HN 0.881 nan 8.210 nan 0.000 0.457 434 G N 6.870 115.605 108.800 -0.109 0.000 2.344 434 G HA2 0.218 4.178 3.960 0.000 0.000 0.282 434 G HA3 0.218 4.178 3.960 0.000 0.000 0.282 434 G C -3.287 171.828 174.900 0.357 0.000 1.281 434 G CA -0.684 44.426 45.100 0.017 0.000 0.877 434 G HN 0.283 nan 8.290 nan 0.000 0.494 435 P HA 0.341 nan 4.420 nan 0.000 0.271 435 P C 0.931 178.480 177.300 0.415 0.000 1.216 435 P CA 1.354 64.695 63.100 0.402 0.000 0.776 435 P CB 1.077 32.992 31.700 0.359 0.000 0.881 436 V N -1.446 118.669 119.914 0.334 0.000 5.578 436 V HA -0.311 3.809 4.120 0.000 0.000 0.275 436 V C 1.269 177.476 176.094 0.188 0.000 0.642 436 V CA 1.046 63.501 62.300 0.257 0.000 0.613 436 V CB -2.924 29.011 31.823 0.186 0.000 0.301 436 V HN 0.743 nan 8.190 nan 0.000 0.782 437 A N 1.305 124.273 122.820 0.248 0.000 1.933 437 A HA 0.215 4.535 4.320 0.000 0.000 0.218 437 A C 2.335 179.901 177.584 -0.029 0.000 1.175 437 A CA 2.179 54.310 52.037 0.156 0.000 0.628 437 A CB -0.817 18.385 19.000 0.337 0.000 0.814 437 A HN 1.788 nan 8.150 nan 0.000 0.444 438 G N -0.417 108.382 108.800 -0.002 0.000 2.421 438 G HA2 -0.119 3.841 3.960 0.000 0.000 0.217 438 G HA3 -0.119 3.841 3.960 0.000 0.000 0.217 438 G C 1.315 176.231 174.900 0.025 0.000 1.143 438 G CA 0.850 45.944 45.100 -0.010 0.000 0.784 438 G HN 0.502 nan 8.290 nan 0.000 0.541 439 E N 0.715 120.948 120.200 0.055 0.000 2.110 439 E HA -0.089 4.261 4.350 0.000 0.000 0.193 439 E C 2.799 179.391 176.600 -0.012 0.000 0.988 439 E CA 0.769 57.187 56.400 0.030 0.000 0.804 439 E CB -0.626 29.105 29.700 0.052 0.000 0.745 439 E HN 0.344 nan 8.360 nan 0.000 0.458 440 V N 1.785 121.667 119.914 -0.054 0.000 2.307 440 V HA -0.191 3.930 4.120 0.000 0.000 0.245 440 V C 2.383 178.526 176.094 0.082 0.000 1.045 440 V CA 1.172 63.443 62.300 -0.049 0.000 1.024 440 V CB -0.271 31.322 31.823 -0.383 0.000 0.651 440 V HN 0.205 nan 8.190 nan 0.000 0.449 441 I N -0.156 120.420 120.570 0.011 0.000 2.500 441 I HA -0.151 4.019 4.170 0.000 0.000 0.252 441 I C 2.502 178.630 176.117 0.018 0.000 1.142 441 I CA 1.159 62.490 61.300 0.052 0.000 1.451 441 I CB -0.833 37.151 38.000 -0.027 0.000 1.093 441 I HN 0.404 nan 8.210 nan 0.000 0.430 442 Q N 1.543 121.328 119.800 -0.025 0.000 2.082 442 Q HA -0.208 4.132 4.340 0.000 0.000 0.211 442 Q C 2.139 178.081 176.000 -0.096 0.000 1.002 442 Q CA 2.686 58.458 55.803 -0.052 0.000 0.868 442 Q CB -0.802 27.909 28.738 -0.045 0.000 0.931 442 Q HN 0.472 nan 8.270 nan 0.000 0.414 443 G N -1.513 107.185 108.800 -0.170 0.000 2.422 443 G HA2 -0.197 3.763 3.960 0.000 0.000 0.218 443 G HA3 -0.197 3.763 3.960 0.000 0.000 0.218 443 G C 0.989 175.685 174.900 -0.340 0.000 1.140 443 G CA 0.596 45.529 45.100 -0.280 0.000 0.775 443 G HN 0.384 nan 8.290 nan 0.000 0.545 444 F N 1.736 121.580 119.950 -0.176 0.000 2.293 444 F HA 0.109 4.636 4.527 0.000 0.000 0.300 444 F C 2.886 178.567 175.800 -0.198 0.000 1.086 444 F CA 0.614 58.471 58.000 -0.238 0.000 1.375 444 F CB -0.204 38.547 39.000 -0.416 0.000 1.045 444 F HN 0.238 nan 8.300 nan 0.000 0.516 445 A N -0.204 122.604 122.820 -0.020 0.000 1.929 445 A HA 0.038 4.358 4.320 0.000 0.000 0.216 445 A C 2.409 179.962 177.584 -0.052 0.000 1.176 445 A CA 1.415 53.426 52.037 -0.042 0.000 0.628 445 A CB -1.102 17.868 19.000 -0.051 0.000 0.816 445 A HN 0.268 nan 8.150 nan 0.000 0.444 446 A N -0.054 122.721 122.820 -0.076 0.000 1.930 446 A HA 0.233 4.553 4.320 0.000 0.000 0.217 446 A C 2.466 180.007 177.584 -0.071 0.000 1.175 446 A CA 1.782 53.773 52.037 -0.076 0.000 0.627 446 A CB -0.932 18.014 19.000 -0.091 0.000 0.815 446 A HN 0.954 nan 8.150 nan 0.000 0.443 447 A N -0.216 122.553 122.820 -0.084 0.000 1.851 447 A HA -0.130 4.191 4.320 0.000 0.000 0.216 447 A C 2.110 179.674 177.584 -0.033 0.000 1.195 447 A CA 1.805 53.805 52.037 -0.061 0.000 0.622 447 A CB -0.796 18.179 19.000 -0.042 0.000 0.831 447 A HN 0.464 nan 8.150 nan 0.000 0.444 448 L N -0.192 121.017 121.223 -0.023 0.000 2.013 448 L HA -0.225 4.115 4.340 0.000 0.000 0.212 448 L C 2.467 179.330 176.870 -0.012 0.000 1.073 448 L CA 2.202 57.032 54.840 -0.017 0.000 0.753 448 L CB -0.315 41.734 42.059 -0.017 0.000 0.890 448 L HN 0.335 nan 8.230 nan 0.000 0.432 449 K N -1.156 119.232 120.400 -0.020 0.000 2.360 449 K HA -0.056 4.264 4.320 0.000 0.000 0.201 449 K C 1.591 178.180 176.600 -0.018 0.000 1.046 449 K CA 1.211 57.487 56.287 -0.017 0.000 0.945 449 K CB -0.056 32.428 32.500 -0.026 0.000 0.750 449 K HN 0.308 nan 8.250 nan 0.000 0.464 450 S N -0.510 115.175 115.700 -0.025 0.000 2.605 450 S HA 0.124 4.594 4.470 0.000 0.000 0.217 450 S C 0.914 175.502 174.600 -0.021 0.000 0.958 450 S CA 0.445 58.630 58.200 -0.026 0.000 0.919 450 S CB 0.895 64.073 63.200 -0.036 0.000 0.780 450 S HN 0.541 nan 8.310 nan 0.000 0.507 451 G N 1.636 110.426 108.800 -0.015 0.000 2.132 451 G HA2 -0.216 3.744 3.960 0.000 0.000 0.234 451 G HA3 -0.216 3.744 3.960 0.000 0.000 0.234 451 G C 0.022 174.903 174.900 -0.031 0.000 0.989 451 G CA -0.348 44.742 45.100 -0.016 0.000 0.676 451 G HN 0.498 nan 8.290 nan 0.000 0.522 452 L N 2.125 123.328 121.223 -0.034 0.000 2.706 452 L HA 0.229 4.569 4.340 0.000 0.000 0.282 452 L C 1.351 178.179 176.870 -0.070 0.000 1.219 452 L CA 1.772 56.586 54.840 -0.044 0.000 0.935 452 L CB 0.182 42.222 42.059 -0.031 0.000 1.204 452 L HN 0.583 nan 8.230 nan 0.000 0.491 453 T N 2.027 116.535 114.554 -0.076 0.000 2.922 453 T HA 0.341 4.691 4.350 0.000 0.000 0.281 453 T C 1.427 176.054 174.700 -0.121 0.000 1.005 453 T CA -1.028 61.010 62.100 -0.103 0.000 0.982 453 T CB 1.578 70.397 68.868 -0.082 0.000 1.158 453 T HN 0.414 nan 8.240 nan 0.000 0.566 454 I N 1.226 121.707 120.570 -0.148 0.000 2.353 454 I HA -0.102 4.068 4.170 0.000 0.000 0.248 454 I C 2.242 178.249 176.117 -0.184 0.000 1.119 454 I CA 0.970 62.140 61.300 -0.217 0.000 1.417 454 I CB -1.278 36.567 38.000 -0.258 0.000 1.078 454 I HN 0.649 nan 8.210 nan 0.000 0.421 455 N N 0.535 119.164 118.700 -0.118 0.000 2.120 455 N HA -0.133 4.607 4.740 0.000 0.000 0.188 455 N C 1.766 177.233 175.510 -0.071 0.000 1.024 455 N CA 1.801 54.800 53.050 -0.085 0.000 0.852 455 N CB -0.454 38.001 38.487 -0.053 0.000 1.003 455 N HN 0.332 nan 8.380 nan 0.000 0.424 456 T N 2.575 117.091 114.554 -0.064 0.000 2.674 456 T HA -0.125 4.225 4.350 0.000 0.000 0.265 456 T C 2.060 176.736 174.700 -0.040 0.000 1.039 456 T CA 0.752 62.825 62.100 -0.045 0.000 1.150 456 T CB -0.546 68.299 68.868 -0.039 0.000 0.864 456 T HN 0.081 nan 8.240 nan 0.000 0.427 457 L N 1.095 122.284 121.223 -0.056 0.000 1.997 457 L HA -0.052 4.288 4.340 0.000 0.000 0.216 457 L C 2.140 178.989 176.870 -0.036 0.000 1.074 457 L CA 1.725 56.544 54.840 -0.034 0.000 0.763 457 L CB -0.741 41.254 42.059 -0.108 0.000 0.890 457 L HN 0.290 nan 8.230 nan 0.000 0.434 458 I N -0.446 120.065 120.570 -0.098 0.000 3.001 458 I HA -0.159 4.011 4.170 0.000 0.000 0.268 458 I C 1.004 177.091 176.117 -0.049 0.000 1.267 458 I CA 0.647 61.890 61.300 -0.096 0.000 1.472 458 I CB -0.271 37.626 38.000 -0.172 0.000 1.089 458 I HN 0.471 nan 8.210 nan 0.000 0.468 459 N N -0.006 118.671 118.700 -0.038 0.000 2.184 459 N HA 0.078 4.819 4.740 0.000 0.000 0.206 459 N C -0.002 175.502 175.510 -0.010 0.000 1.151 459 N CA 0.153 53.190 53.050 -0.023 0.000 0.878 459 N CB 0.654 39.125 38.487 -0.026 0.000 1.014 459 N HN 0.060 nan 8.380 nan 0.000 0.512 460 T N 1.701 116.256 114.554 0.002 0.000 2.769 460 T HA 0.147 4.497 4.350 0.000 0.000 0.293 460 T C 0.796 175.509 174.700 0.023 0.000 0.931 460 T CA -0.154 61.954 62.100 0.014 0.000 1.139 460 T CB 1.303 70.192 68.868 0.035 0.000 0.881 460 T HN -0.188 nan 8.240 nan 0.000 0.532 461 V N 3.898 123.819 119.914 0.012 0.000 2.617 461 V HA 0.217 4.337 4.120 0.000 0.000 0.304 461 V C 1.440 177.554 176.094 0.035 0.000 1.040 461 V CA -0.332 61.977 62.300 0.016 0.000 1.149 461 V CB 0.124 31.952 31.823 0.009 0.000 0.914 461 V HN 1.021 nan 8.190 nan 0.000 0.487 462 G N 4.570 113.396 108.800 0.043 0.000 2.544 462 G HA2 0.424 4.384 3.960 0.000 0.000 0.242 462 G HA3 0.424 4.384 3.960 0.000 0.000 0.242 462 G C -0.354 174.592 174.900 0.077 0.000 1.247 462 G CA -0.637 44.504 45.100 0.070 0.000 0.840 462 G HN 0.684 nan 8.290 nan 0.000 0.578 463 I N 1.117 121.740 120.570 0.088 0.000 2.325 463 I HA 0.193 4.363 4.170 0.000 0.000 0.291 463 I C -0.061 176.147 176.117 0.151 0.000 1.019 463 I CA -0.523 60.833 61.300 0.093 0.000 1.302 463 I CB 1.116 39.150 38.000 0.057 0.000 1.401 463 I HN 0.500 nan 8.210 nan 0.000 0.485 464 H N 7.596 126.688 119.070 0.037 0.000 2.495 464 H HA 0.583 5.139 4.556 0.000 0.000 0.348 464 H C -2.524 172.834 175.328 0.050 0.000 1.113 464 H CA -2.001 54.075 56.048 0.046 0.000 1.195 464 H CB 1.587 31.374 29.762 0.041 0.000 1.521 464 H HN 0.316 nan 8.280 nan 0.000 0.509 465 P HA 0.307 nan 4.420 nan 0.000 0.297 465 P C -1.250 176.023 177.300 -0.044 0.000 1.331 465 P CA -0.598 62.283 63.100 -0.366 0.000 0.803 465 P CB 1.338 32.787 31.700 -0.418 0.000 0.929 466 T N -2.589 111.998 114.554 0.055 0.000 2.864 466 T HA 0.453 4.803 4.350 0.000 0.000 0.299 466 T C 0.912 175.656 174.700 0.074 0.000 1.166 466 T CA -0.218 61.923 62.100 0.069 0.000 1.007 466 T CB 1.310 70.219 68.868 0.069 0.000 1.219 466 T HN 0.307 nan 8.240 nan 0.000 0.506 467 T N -1.547 113.047 114.554 0.066 0.000 3.009 467 T HA 0.232 4.582 4.350 0.000 0.000 0.258 467 T C 2.382 177.053 174.700 -0.049 0.000 1.063 467 T CA 0.740 62.839 62.100 -0.002 0.000 1.139 467 T CB -0.752 68.193 68.868 0.128 0.000 0.890 467 T HN 0.901 nan 8.240 nan 0.000 0.471 468 A N 3.047 125.888 122.820 0.036 0.000 1.948 468 A HA -0.206 4.114 4.320 0.000 0.000 0.220 468 A C 2.302 179.993 177.584 0.178 0.000 1.177 468 A CA 1.941 54.051 52.037 0.121 0.000 0.636 468 A CB -0.890 18.210 19.000 0.168 0.000 0.815 468 A HN 0.873 nan 8.150 nan 0.000 0.449 469 E N -0.414 119.854 120.200 0.114 0.000 2.333 469 E HA -0.202 4.148 4.350 0.000 0.000 0.198 469 E C 1.203 177.820 176.600 0.029 0.000 1.007 469 E CA 0.998 57.468 56.400 0.116 0.000 0.845 469 E CB -0.256 29.513 29.700 0.116 0.000 0.766 469 E HN 0.555 nan 8.360 nan 0.000 0.507 470 E N 0.577 120.714 120.200 -0.105 0.000 2.160 470 E HA -0.176 4.174 4.350 0.000 0.000 0.195 470 E C 1.647 178.100 176.600 -0.245 0.000 0.991 470 E CA 0.825 57.083 56.400 -0.238 0.000 0.810 470 E CB -0.379 28.989 29.700 -0.553 0.000 0.742 470 E HN 0.381 nan 8.360 nan 0.000 0.466 471 F N 1.281 121.117 119.950 -0.191 0.000 2.161 471 F HA -0.182 4.345 4.527 0.000 0.000 0.300 471 F C 2.710 178.394 175.800 -0.194 0.000 1.089 471 F CA 1.819 59.639 58.000 -0.301 0.000 1.282 471 F CB -0.878 37.681 39.000 -0.736 0.000 1.010 471 F HN 0.082 nan 8.300 nan 0.000 0.485 472 T N -2.886 111.733 114.554 0.109 0.000 3.088 472 T HA 0.012 4.362 4.350 0.000 0.000 0.259 472 T C 1.865 176.569 174.700 0.007 0.000 1.122 472 T CA 0.417 62.560 62.100 0.072 0.000 1.095 472 T CB -0.191 68.744 68.868 0.111 0.000 0.930 472 T HN 0.220 nan 8.240 nan 0.000 0.508 473 R N -0.274 120.221 120.500 -0.010 0.000 2.280 473 R HA 0.304 4.644 4.340 0.000 0.000 0.195 473 R C -0.188 176.099 176.300 -0.022 0.000 0.935 473 R CA -0.463 55.626 56.100 -0.019 0.000 1.033 473 R CB -0.149 30.141 30.300 -0.016 0.000 0.964 473 R HN 0.260 nan 8.270 nan 0.000 0.489 474 L N 0.554 121.755 121.223 -0.037 0.000 2.653 474 L HA -0.179 4.161 4.340 0.000 0.000 0.288 474 L C 0.938 177.827 176.870 0.031 0.000 1.243 474 L CA 1.036 55.875 54.840 -0.003 0.000 0.906 474 L CB 0.846 42.897 42.059 -0.012 0.000 1.154 474 L HN 0.215 nan 8.230 nan 0.000 0.498 475 A N 4.057 126.987 122.820 0.183 0.000 2.004 475 A HA 0.305 4.625 4.320 0.000 0.000 0.175 475 A C 0.377 178.149 177.584 0.314 0.000 1.902 475 A CA -0.265 51.917 52.037 0.241 0.000 1.457 475 A CB -0.186 18.881 19.000 0.112 0.000 1.593 475 A HN 0.447 nan 8.150 nan 0.000 0.363 476 I N 3.085 123.793 120.570 0.229 0.000 2.312 476 I HA 0.295 4.465 4.170 0.000 0.000 0.291 476 I C 0.664 176.891 176.117 0.184 0.000 1.031 476 I CA -0.011 61.385 61.300 0.160 0.000 1.293 476 I CB 1.658 39.714 38.000 0.093 0.000 1.403 476 I HN 0.390 nan 8.210 nan 0.000 0.484 477 T N 2.250 116.802 114.554 -0.002 0.000 2.909 477 T HA 0.303 4.653 4.350 0.000 0.000 0.289 477 T C 0.945 175.594 174.700 -0.085 0.000 1.005 477 T CA -0.786 61.179 62.100 -0.224 0.000 1.084 477 T CB 1.504 70.116 68.868 -0.426 0.000 0.975 477 T HN 0.526 nan 8.240 nan 0.000 0.509 478 K N 0.717 120.965 120.400 -0.254 0.000 2.097 478 K HA -0.125 4.195 4.320 0.000 0.000 0.206 478 K C 2.456 178.988 176.600 -0.114 0.000 1.049 478 K CA 1.119 57.251 56.287 -0.259 0.000 0.933 478 K CB -0.141 32.130 32.500 -0.381 0.000 0.717 478 K HN 0.634 nan 8.250 nan 0.000 0.442 479 R N 1.366 121.786 120.500 -0.133 0.000 2.091 479 R HA -0.148 4.192 4.340 0.000 0.000 0.238 479 R C 2.344 178.614 176.300 -0.050 0.000 1.136 479 R CA 1.994 58.041 56.100 -0.089 0.000 0.959 479 R CB -0.226 30.008 30.300 -0.110 0.000 0.856 479 R HN 0.234 nan 8.270 nan 0.000 0.437 480 S N -0.717 114.955 115.700 -0.047 0.000 2.419 480 S HA -0.072 4.398 4.470 0.000 0.000 0.235 480 S C 1.654 176.262 174.600 0.014 0.000 1.019 480 S CA 1.136 59.331 58.200 -0.009 0.000 0.982 480 S CB -0.628 62.575 63.200 0.004 0.000 0.789 480 S HN 0.676 nan 8.310 nan 0.000 0.490 481 G N 0.556 109.370 108.800 0.025 0.000 2.186 481 G HA2 -0.252 3.708 3.960 0.000 0.000 0.266 481 G HA3 -0.252 3.708 3.960 0.000 0.000 0.266 481 G C 0.023 174.962 174.900 0.065 0.000 0.982 481 G CA 0.499 45.626 45.100 0.046 0.000 0.670 481 G HN 0.509 nan 8.290 nan 0.000 0.533 482 L N 0.854 122.119 121.223 0.070 0.000 2.483 482 L HA 0.320 4.660 4.340 0.000 0.000 0.275 482 L C 0.850 177.769 176.870 0.082 0.000 1.220 482 L CA -0.667 54.212 54.840 0.065 0.000 0.833 482 L CB 0.392 42.485 42.059 0.057 0.000 1.102 482 L HN 0.196 nan 8.230 nan 0.000 0.490 483 D N 4.133 124.566 120.400 0.055 0.000 2.434 483 D HA 0.036 4.676 4.640 0.000 0.000 0.252 483 D C -1.527 174.794 176.300 0.035 0.000 1.185 483 D CA -1.101 52.929 54.000 0.050 0.000 0.886 483 D CB 1.091 41.907 40.800 0.027 0.000 1.148 483 D HN 0.308 nan 8.370 nan 0.000 0.483 484 P HA -0.004 nan 4.420 nan 0.000 0.247 484 P C -0.392 176.965 177.300 0.096 0.000 1.225 484 P CA 0.179 63.230 63.100 -0.082 0.000 0.768 484 P CB 0.134 31.586 31.700 -0.414 0.000 1.020 485 T N 1.753 116.363 114.554 0.094 0.000 3.149 485 T HA 0.341 4.691 4.350 0.000 0.000 0.373 485 T C -1.969 172.751 174.700 0.033 0.000 1.364 485 T CA -1.262 60.879 62.100 0.068 0.000 1.110 485 T CB 0.014 68.852 68.868 -0.049 0.000 1.127 485 T HN 0.060 nan 8.240 nan 0.000 0.576 486 P HA 0.000 nan 4.420 nan 0.000 0.216 486 P CA 0.000 63.124 63.100 0.040 0.000 0.800 486 P CB 0.000 31.733 31.700 0.055 0.000 0.726