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 1gln_1_A DATA FIRST_RESID 1 DATA SEQUENCE MVVTRIAPSP TGDPHVGTAY IALFNYAWAR RNGGRFIVRI EDTDRARYVP DATA SEQUENCE GAEERILAAL KWLGLSYDEG PDVAAPTGPY RQSERLPLYQ KYAEELLKRG DATA SEQUENCE WAYRAFETPE ELEQIRKEKG GYDGRARNIP PEEAEERARR GEPHVIRLKV DATA SEQUENCE PRPGTTEVKD ELRGVVVYDN QEIPDVVLLK SDGYPTYHLA NVVDDHLMGV DATA SEQUENCE TDVIRAEEWL VSTPIHVLLY RAFGWEAPRF YHMPLLRNPD KTKISKRKSH DATA SEQUENCE TSLDWYKAEG FLPEALRNYL CLMGFSMPDG REIFTLEEFI QAFTWERVSL DATA SEQUENCE GGPVFDLEKL RWMNGKYIRE VLSLEEVAER VKPFLREAGL SWESEAYLRR DATA SEQUENCE AVELMRPRFD TLKEFPEKAR YLFTEDYPVS EKAQRKLEEG LPLLKELYPR DATA SEQUENCE LRAQEEWTEA ALEALLRGFA AEKGVKLGQV AQPLRAALTG SLETPGLFEI DATA SEQUENCE LALLGKERAL RRLERALA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.278 176.300 -0.037 0.000 1.140 1 M CA 0.000 55.272 55.300 -0.046 0.000 0.988 1 M CB 0.000 32.574 32.600 -0.043 0.000 1.302 2 V N 2.048 121.931 119.914 -0.051 0.000 2.678 2 V HA 0.102 4.227 4.120 0.009 0.000 0.304 2 V C 0.093 176.184 176.094 -0.005 0.000 1.086 2 V CA 0.501 62.791 62.300 -0.017 0.000 1.246 2 V CB -0.220 31.498 31.823 -0.175 0.000 0.861 2 V HN 0.459 nan 8.190 nan 0.000 0.491 3 V N 4.398 124.338 119.914 0.043 0.000 2.525 3 V HA 0.645 4.771 4.120 0.009 0.000 0.299 3 V C 0.049 176.209 176.094 0.110 0.000 1.034 3 V CA -0.368 61.961 62.300 0.048 0.000 0.863 3 V CB 1.891 33.720 31.823 0.010 0.000 0.999 3 V HN 0.998 nan 8.190 nan 0.000 0.423 4 T N 2.310 116.969 114.554 0.175 0.000 2.940 4 T HA 0.992 5.347 4.350 0.009 0.000 0.288 4 T C -0.484 174.396 174.700 0.301 0.000 1.045 4 T CA -0.904 61.346 62.100 0.250 0.000 1.018 4 T CB 2.720 71.758 68.868 0.283 0.000 1.151 4 T HN 0.823 nan 8.240 nan 0.000 0.529 5 R N -0.079 120.591 120.500 0.284 0.000 2.795 5 R HA 0.857 5.202 4.340 0.009 0.000 0.268 5 R C -1.428 175.041 176.300 0.281 0.000 1.041 5 R CA -1.067 55.139 56.100 0.177 0.000 0.927 5 R CB 0.136 30.464 30.300 0.047 0.000 1.235 5 R HN 0.795 nan 8.270 nan 0.000 0.463 6 I N -2.088 118.575 120.570 0.155 0.000 2.828 6 I HA 0.885 5.061 4.170 0.009 0.000 0.302 6 I C -0.848 175.293 176.117 0.041 0.000 1.101 6 I CA -1.334 60.064 61.300 0.163 0.000 1.031 6 I CB 2.883 41.002 38.000 0.200 0.000 1.231 6 I HN 0.818 nan 8.210 nan 0.000 0.427 7 A N 4.094 126.949 122.820 0.058 0.000 3.156 7 A HA 0.716 5.042 4.320 0.009 0.000 0.311 7 A C -2.801 174.818 177.584 0.059 0.000 1.129 7 A CA -1.079 50.978 52.037 0.035 0.000 0.809 7 A CB -0.063 18.953 19.000 0.027 0.000 1.257 7 A HN 0.510 nan 8.150 nan 0.000 0.491 8 P HA 0.516 nan 4.420 nan 0.000 0.278 8 P C -0.356 176.982 177.300 0.065 0.000 1.266 8 P CA -0.210 62.931 63.100 0.068 0.000 0.807 8 P CB 1.376 33.114 31.700 0.064 0.000 1.094 9 S N 0.718 116.461 115.700 0.071 0.000 2.478 9 S HA 0.387 4.862 4.470 0.009 0.000 0.312 9 S C -2.264 172.369 174.600 0.055 0.000 1.094 9 S CA -1.435 56.811 58.200 0.076 0.000 1.081 9 S CB 1.151 64.404 63.200 0.089 0.000 1.007 9 S HN 0.371 nan 8.310 nan 0.000 0.475 10 P HA 0.055 nan 4.420 nan 0.000 0.262 10 P C 0.502 177.740 177.300 -0.104 0.000 1.647 10 P CA 0.139 63.219 63.100 -0.033 0.000 0.865 10 P CB -1.314 30.364 31.700 -0.038 0.000 1.834 11 T N -2.646 111.893 114.554 -0.025 0.000 3.258 11 T HA 0.555 4.911 4.350 0.009 0.000 0.259 11 T C 0.643 175.333 174.700 -0.016 0.000 0.963 11 T CA -0.076 62.013 62.100 -0.018 0.000 0.919 11 T CB -0.219 68.672 68.868 0.039 0.000 1.110 11 T HN 0.325 nan 8.240 nan 0.000 0.550 12 G N 0.544 109.323 108.800 -0.036 0.000 2.325 12 G HA2 0.143 4.109 3.960 0.009 0.000 0.285 12 G HA3 0.143 4.109 3.960 0.009 0.000 0.285 12 G C -1.909 173.001 174.900 0.015 0.000 1.303 12 G CA -1.020 44.076 45.100 -0.006 0.000 0.970 12 G HN 0.222 nan 8.290 nan 0.000 0.490 13 D N 2.121 122.545 120.400 0.040 0.000 2.531 13 D HA 0.344 4.989 4.640 0.009 0.000 0.239 13 D C -1.881 174.475 176.300 0.092 0.000 1.144 13 D CA 0.123 54.158 54.000 0.058 0.000 0.869 13 D CB 0.698 41.536 40.800 0.064 0.000 1.160 13 D HN 0.151 nan 8.370 nan 0.000 0.484 14 P HA -0.086 nan 4.420 nan 0.000 0.255 14 P C -0.107 177.274 177.300 0.136 0.000 1.173 14 P CA 0.533 63.702 63.100 0.114 0.000 0.780 14 P CB 0.114 31.875 31.700 0.102 0.000 0.758 15 H N 2.980 122.097 119.070 0.079 0.000 2.525 15 H HA 0.082 4.643 4.556 0.008 0.000 0.339 15 H C 1.235 176.608 175.328 0.074 0.000 1.109 15 H CA -0.185 55.903 56.048 0.067 0.000 1.352 15 H CB 1.527 31.319 29.762 0.051 0.000 1.461 15 H HN 0.101 nan 8.280 nan 0.000 0.533 16 V N 4.731 124.512 119.914 -0.222 0.000 2.490 16 V HA -0.196 3.929 4.120 0.009 0.000 0.250 16 V C 2.222 178.375 176.094 0.099 0.000 1.061 16 V CA 2.333 64.555 62.300 -0.129 0.000 1.064 16 V CB -0.695 30.881 31.823 -0.411 0.000 0.670 16 V HN 1.005 nan 8.190 nan 0.000 0.461 17 G N -0.907 108.131 108.800 0.396 0.000 2.440 17 G HA2 -0.277 3.688 3.960 0.009 0.000 0.218 17 G HA3 -0.277 3.688 3.960 0.009 0.000 0.218 17 G C 1.611 176.722 174.900 0.352 0.000 1.154 17 G CA 1.614 46.993 45.100 0.466 0.000 0.767 17 G HN 0.516 nan 8.290 nan 0.000 0.552 18 T N 1.459 116.191 114.554 0.295 0.000 2.857 18 T HA 0.166 4.522 4.350 0.009 0.000 0.266 18 T C 2.802 177.631 174.700 0.215 0.000 1.048 18 T CA 1.191 63.425 62.100 0.224 0.000 1.139 18 T CB -0.271 68.711 68.868 0.190 0.000 0.874 18 T HN 0.372 nan 8.240 nan 0.000 0.455 19 A N 1.046 123.991 122.820 0.209 0.000 1.908 19 A HA -0.126 4.199 4.320 0.009 0.000 0.218 19 A C 2.100 179.804 177.584 0.198 0.000 1.181 19 A CA 1.561 53.699 52.037 0.169 0.000 0.627 19 A CB -1.033 18.050 19.000 0.138 0.000 0.818 19 A HN 0.523 nan 8.150 nan 0.000 0.445 20 Y N 0.879 121.253 120.300 0.124 0.000 2.089 20 Y HA -0.209 4.346 4.550 0.009 0.000 0.282 20 Y C 2.095 178.169 175.900 0.290 0.000 1.139 20 Y CA 1.556 59.775 58.100 0.199 0.000 1.123 20 Y CB -0.395 38.170 38.460 0.175 0.000 0.980 20 Y HN 0.240 nan 8.280 nan 0.000 0.493 21 I N 0.586 121.185 120.570 0.049 0.000 2.286 21 I HA -0.262 3.914 4.170 0.009 0.000 0.248 21 I C 2.657 178.824 176.117 0.083 0.000 1.115 21 I CA 1.469 62.743 61.300 -0.043 0.000 1.392 21 I CB -2.032 35.995 38.000 0.046 0.000 1.065 21 I HN 0.351 nan 8.210 nan 0.000 0.418 22 A N 0.735 123.631 122.820 0.126 0.000 1.933 22 A HA -0.207 4.119 4.320 0.009 0.000 0.218 22 A C 2.289 179.818 177.584 -0.091 0.000 1.175 22 A CA 1.323 53.428 52.037 0.113 0.000 0.628 22 A CB -0.782 18.358 19.000 0.234 0.000 0.814 22 A HN 0.366 nan 8.150 nan 0.000 0.444 23 L N -1.453 119.713 121.223 -0.096 0.000 2.093 23 L HA 0.019 4.364 4.340 0.009 0.000 0.208 23 L C 1.951 178.569 176.870 -0.420 0.000 1.085 23 L CA 1.706 56.365 54.840 -0.300 0.000 0.755 23 L CB -0.912 40.913 42.059 -0.391 0.000 0.904 23 L HN 0.377 nan 8.230 nan 0.000 0.435 24 F N -0.665 119.190 119.950 -0.160 0.000 2.456 24 F HA -0.034 4.498 4.527 0.009 0.000 0.298 24 F C 2.114 177.774 175.800 -0.234 0.000 1.104 24 F CA 0.962 58.827 58.000 -0.225 0.000 1.435 24 F CB -0.570 38.385 39.000 -0.075 0.000 1.078 24 F HN 0.224 nan 8.300 nan 0.000 0.546 25 N N -1.340 117.314 118.700 -0.077 0.000 2.251 25 N HA -0.149 4.597 4.740 0.009 0.000 0.181 25 N C 1.653 176.889 175.510 -0.458 0.000 1.019 25 N CA 0.529 53.504 53.050 -0.125 0.000 0.862 25 N CB -0.269 38.208 38.487 -0.017 0.000 0.992 25 N HN 0.176 nan 8.380 nan 0.000 0.429 26 Y N 1.613 121.392 120.300 -0.868 0.000 2.133 26 Y HA -0.004 4.552 4.550 0.009 0.000 0.287 26 Y C 2.197 177.785 175.900 -0.519 0.000 1.134 26 Y CA 1.399 58.956 58.100 -0.905 0.000 1.133 26 Y CB -0.672 37.308 38.460 -0.800 0.000 0.987 26 Y HN 0.033 nan 8.280 nan 0.000 0.502 27 A N 1.528 124.174 122.820 -0.289 0.000 1.849 27 A HA -0.299 4.027 4.320 0.009 0.000 0.217 27 A C 2.349 179.578 177.584 -0.592 0.000 1.202 27 A CA 1.899 53.613 52.037 -0.539 0.000 0.629 27 A CB -1.979 16.425 19.000 -0.993 0.000 0.834 27 A HN 0.858 nan 8.150 nan 0.000 0.447 28 W N 0.627 121.464 121.300 -0.771 0.000 2.304 28 W HA -0.295 4.370 4.660 0.009 0.000 0.315 28 W C 2.415 178.778 176.519 -0.261 0.000 1.233 28 W CA 2.662 59.749 57.345 -0.429 0.000 1.261 28 W CB -0.490 28.860 29.460 -0.183 0.000 1.150 28 W HN 0.493 nan 8.180 nan 0.000 0.494 29 A N 1.205 123.847 122.820 -0.297 0.000 1.844 29 A HA -0.294 4.031 4.320 0.009 0.000 0.214 29 A C 1.956 179.311 177.584 -0.382 0.000 1.217 29 A CA 2.537 54.388 52.037 -0.311 0.000 0.644 29 A CB -1.352 17.507 19.000 -0.235 0.000 0.850 29 A HN 0.224 nan 8.150 nan 0.000 0.456 30 R N -0.498 119.746 120.500 -0.427 0.000 2.165 30 R HA -0.201 4.145 4.340 0.009 0.000 0.254 30 R C 2.053 178.168 176.300 -0.308 0.000 1.153 30 R CA 1.973 57.848 56.100 -0.376 0.000 0.971 30 R CB -1.187 28.850 30.300 -0.438 0.000 0.878 30 R HN 0.632 nan 8.270 nan 0.000 0.449 31 R N 1.089 121.372 120.500 -0.361 0.000 2.328 31 R HA -0.024 4.322 4.340 0.009 0.000 0.207 31 R C 0.232 176.315 176.300 -0.361 0.000 1.056 31 R CA 1.504 57.413 56.100 -0.318 0.000 1.016 31 R CB -0.371 29.748 30.300 -0.301 0.000 0.872 31 R HN 0.380 nan 8.270 nan 0.000 0.471 32 N N -1.641 116.813 118.700 -0.409 0.000 2.160 32 N HA 0.224 4.969 4.740 0.009 0.000 0.226 32 N C 0.314 175.673 175.510 -0.250 0.000 1.256 32 N CA 0.349 53.170 53.050 -0.381 0.000 0.890 32 N CB 1.534 39.677 38.487 -0.572 0.000 1.116 32 N HN 0.273 nan 8.380 nan 0.000 0.517 33 G N 0.078 108.751 108.800 -0.211 0.000 2.267 33 G HA2 -0.280 3.685 3.960 0.009 0.000 0.257 33 G HA3 -0.280 3.685 3.960 0.009 0.000 0.257 33 G C 0.659 175.473 174.900 -0.143 0.000 0.998 33 G CA 0.038 45.047 45.100 -0.152 0.000 0.620 33 G HN 0.524 nan 8.290 nan 0.000 0.529 34 G N -0.355 108.344 108.800 -0.168 0.000 2.631 34 G HA2 0.489 4.455 3.960 0.009 0.000 0.271 34 G HA3 0.489 4.455 3.960 0.009 0.000 0.271 34 G C 0.163 175.001 174.900 -0.102 0.000 1.302 34 G CA -0.182 44.840 45.100 -0.129 0.000 1.002 34 G HN 0.553 nan 8.290 nan 0.000 0.519 35 R N -1.264 119.206 120.500 -0.049 0.000 2.664 35 R HA 0.382 4.727 4.340 0.009 0.000 0.286 35 R C -1.685 174.671 176.300 0.094 0.000 0.967 35 R CA -0.655 55.443 56.100 -0.003 0.000 0.933 35 R CB 2.171 32.465 30.300 -0.009 0.000 1.146 35 R HN 0.364 nan 8.270 nan 0.000 0.468 36 F N 4.423 124.333 119.950 -0.067 0.000 2.434 36 F HA 0.459 4.991 4.527 0.009 0.000 0.355 36 F C -0.715 175.104 175.800 0.032 0.000 1.115 36 F CA -1.021 56.970 58.000 -0.016 0.000 1.010 36 F CB 0.479 39.463 39.000 -0.025 0.000 1.234 36 F HN 0.338 nan 8.300 nan 0.000 0.439 37 I N 5.337 125.728 120.570 -0.298 0.000 2.677 37 I HA 0.523 4.699 4.170 0.009 0.000 0.305 37 I C -0.708 175.051 176.117 -0.597 0.000 0.988 37 I CA -1.217 59.863 61.300 -0.367 0.000 1.260 37 I CB 1.688 39.616 38.000 -0.121 0.000 1.410 37 I HN 0.207 nan 8.210 nan 0.000 0.523 38 V N 4.642 124.237 119.914 -0.533 0.000 2.524 38 V HA 0.395 4.520 4.120 0.009 0.000 0.297 38 V C -0.359 175.581 176.094 -0.258 0.000 1.035 38 V CA -0.642 61.346 62.300 -0.520 0.000 0.867 38 V CB 1.855 33.146 31.823 -0.886 0.000 1.004 38 V HN 0.664 nan 8.190 nan 0.000 0.426 39 R N 5.307 125.745 120.500 -0.104 0.000 2.393 39 R HA 0.574 4.919 4.340 0.009 0.000 0.315 39 R C -1.172 175.130 176.300 0.004 0.000 0.952 39 R CA -0.702 55.416 56.100 0.030 0.000 0.842 39 R CB 1.312 31.637 30.300 0.043 0.000 1.163 39 R HN 0.570 nan 8.270 nan 0.000 0.450 40 I N 4.039 124.626 120.570 0.029 0.000 2.371 40 I HA 0.137 4.312 4.170 0.009 0.000 0.290 40 I C 0.239 176.387 176.117 0.051 0.000 1.028 40 I CA 0.028 61.349 61.300 0.035 0.000 1.345 40 I CB 1.461 39.490 38.000 0.048 0.000 1.407 40 I HN 0.573 nan 8.210 nan 0.000 0.501 41 E N 5.506 125.740 120.200 0.056 0.000 2.026 41 E HA 0.059 4.415 4.350 0.009 0.000 0.253 41 E C -0.325 176.329 176.600 0.091 0.000 1.056 41 E CA -0.148 56.289 56.400 0.061 0.000 0.927 41 E CB 0.386 30.125 29.700 0.065 0.000 1.172 41 E HN 0.475 nan 8.360 nan 0.000 0.445 42 D N 1.446 121.902 120.400 0.094 0.000 2.894 42 D HA -0.020 4.626 4.640 0.009 0.000 0.273 42 D C 0.810 177.177 176.300 0.112 0.000 1.328 42 D CA -0.245 53.842 54.000 0.145 0.000 0.845 42 D CB 0.257 41.167 40.800 0.183 0.000 1.072 42 D HN 0.152 nan 8.370 nan 0.000 0.484 43 T N -2.963 111.646 114.554 0.093 0.000 2.976 43 T HA -0.081 4.275 4.350 0.009 0.000 0.257 43 T C 1.014 175.864 174.700 0.251 0.000 1.051 43 T CA 0.140 62.310 62.100 0.117 0.000 1.141 43 T CB -0.115 68.749 68.868 -0.007 0.000 0.881 43 T HN 0.033 nan 8.240 nan 0.000 0.461 44 D N 2.310 122.826 120.400 0.193 0.000 2.597 44 D HA 0.035 4.680 4.640 0.009 0.000 0.228 44 D C 1.020 177.423 176.300 0.170 0.000 1.120 44 D CA -0.262 53.840 54.000 0.169 0.000 1.083 44 D CB 0.056 40.935 40.800 0.133 0.000 1.116 44 D HN 0.037 nan 8.370 nan 0.000 0.487 45 R N 1.587 122.186 120.500 0.165 0.000 2.316 45 R HA -0.138 4.208 4.340 0.009 0.000 0.232 45 R C 1.645 178.018 176.300 0.123 0.000 1.137 45 R CA 0.796 56.972 56.100 0.127 0.000 1.012 45 R CB -0.871 29.473 30.300 0.074 0.000 0.859 45 R HN 0.377 nan 8.270 nan 0.000 0.474 46 A N 0.892 123.772 122.820 0.101 0.000 1.874 46 A HA -0.047 4.278 4.320 0.009 0.000 0.214 46 A C 2.202 179.846 177.584 0.100 0.000 1.189 46 A CA 0.751 52.835 52.037 0.078 0.000 0.615 46 A CB -0.212 18.819 19.000 0.051 0.000 0.830 46 A HN 0.156 nan 8.150 nan 0.000 0.443 47 R N -2.250 118.319 120.500 0.115 0.000 2.193 47 R HA 0.016 4.361 4.340 0.009 0.000 0.213 47 R C 0.065 176.444 176.300 0.131 0.000 1.055 47 R CA 0.004 56.167 56.100 0.106 0.000 0.995 47 R CB -0.224 30.134 30.300 0.096 0.000 0.893 47 R HN 0.579 nan 8.270 nan 0.000 0.459 48 Y N 1.253 121.582 120.300 0.048 0.000 2.717 48 Y HA -0.008 4.544 4.550 0.004 0.000 0.330 48 Y C -0.641 175.283 175.900 0.040 0.000 1.217 48 Y CA -0.076 58.052 58.100 0.047 0.000 1.506 48 Y CB 0.577 39.069 38.460 0.053 0.000 1.268 48 Y HN -0.302 nan 8.280 nan 0.000 0.561 49 V N 8.871 128.409 119.914 -0.626 0.000 2.482 49 V HA 0.212 4.338 4.120 0.009 0.000 0.295 49 V C -1.860 173.737 176.094 -0.828 0.000 1.026 49 V CA -1.757 60.258 62.300 -0.475 0.000 0.856 49 V CB 1.539 33.246 31.823 -0.193 0.000 1.001 49 V HN 0.652 nan 8.190 nan 0.000 0.424 50 P HA -0.217 nan 4.420 nan 0.000 0.218 50 P C 1.478 178.707 177.300 -0.119 0.000 1.165 50 P CA 2.386 65.377 63.100 -0.182 0.000 0.922 50 P CB 0.220 31.947 31.700 0.046 0.000 0.794 51 G N -2.087 106.657 108.800 -0.094 0.000 3.042 51 G HA2 0.147 4.113 3.960 0.009 0.000 0.212 51 G HA3 0.147 4.113 3.960 0.009 0.000 0.212 51 G C 1.403 176.265 174.900 -0.063 0.000 1.166 51 G CA 0.539 45.612 45.100 -0.045 0.000 0.767 51 G HN 0.311 nan 8.290 nan 0.000 0.546 52 A N 1.116 123.860 122.820 -0.127 0.000 1.940 52 A HA -0.111 4.215 4.320 0.009 0.000 0.219 52 A C 2.014 179.567 177.584 -0.053 0.000 1.176 52 A CA 2.027 54.004 52.037 -0.101 0.000 0.631 52 A CB -0.315 18.593 19.000 -0.153 0.000 0.814 52 A HN 0.493 nan 8.150 nan 0.000 0.446 53 E N -0.485 119.683 120.200 -0.052 0.000 2.017 53 E HA -0.252 4.103 4.350 0.009 0.000 0.193 53 E C 1.903 178.515 176.600 0.019 0.000 0.997 53 E CA 1.431 57.834 56.400 0.005 0.000 0.804 53 E CB -0.192 29.537 29.700 0.047 0.000 0.757 53 E HN 0.454 nan 8.360 nan 0.000 0.448 54 E N 0.567 120.780 120.200 0.022 0.000 2.108 54 E HA -0.218 4.138 4.350 0.009 0.000 0.203 54 E C 2.146 178.767 176.600 0.035 0.000 1.022 54 E CA 1.605 58.025 56.400 0.032 0.000 0.823 54 E CB -0.166 29.549 29.700 0.025 0.000 0.744 54 E HN 0.238 nan 8.360 nan 0.000 0.456 55 R N -0.419 120.095 120.500 0.022 0.000 2.189 55 R HA 0.099 4.445 4.340 0.009 0.000 0.218 55 R C 2.297 178.627 176.300 0.049 0.000 1.074 55 R CA 0.570 56.685 56.100 0.024 0.000 0.991 55 R CB -0.066 30.238 30.300 0.007 0.000 0.883 55 R HN 0.218 nan 8.270 nan 0.000 0.457 56 I N 0.411 121.012 120.570 0.052 0.000 2.141 56 I HA -0.246 3.929 4.170 0.009 0.000 0.236 56 I C 2.015 178.188 176.117 0.093 0.000 1.071 56 I CA 1.277 62.619 61.300 0.069 0.000 1.345 56 I CB -0.229 37.798 38.000 0.045 0.000 1.066 56 I HN 0.142 nan 8.210 nan 0.000 0.406 57 L N 0.712 121.982 121.223 0.079 0.000 2.079 57 L HA -0.242 4.104 4.340 0.009 0.000 0.210 57 L C 2.838 179.830 176.870 0.202 0.000 1.081 57 L CA 1.393 56.315 54.840 0.137 0.000 0.752 57 L CB -0.785 41.346 42.059 0.119 0.000 0.896 57 L HN 0.280 nan 8.230 nan 0.000 0.433 58 A N 0.128 123.035 122.820 0.145 0.000 1.858 58 A HA -0.193 4.133 4.320 0.009 0.000 0.216 58 A C 2.568 180.268 177.584 0.193 0.000 1.190 58 A CA 1.844 53.964 52.037 0.139 0.000 0.617 58 A CB -0.794 18.253 19.000 0.079 0.000 0.827 58 A HN 0.400 nan 8.150 nan 0.000 0.443 59 A N -0.590 122.342 122.820 0.186 0.000 1.908 59 A HA -0.085 4.240 4.320 0.009 0.000 0.218 59 A C 2.163 179.931 177.584 0.307 0.000 1.181 59 A CA 1.682 53.880 52.037 0.268 0.000 0.627 59 A CB -0.646 18.474 19.000 0.201 0.000 0.818 59 A HN 0.455 nan 8.150 nan 0.000 0.445 60 L N -0.873 120.496 121.223 0.244 0.000 2.131 60 L HA -0.167 4.178 4.340 0.009 0.000 0.210 60 L C 2.435 179.414 176.870 0.182 0.000 1.092 60 L CA 1.689 56.662 54.840 0.222 0.000 0.759 60 L CB -0.205 42.021 42.059 0.279 0.000 0.903 60 L HN 0.310 nan 8.230 nan 0.000 0.435 61 K N -1.812 118.714 120.400 0.210 0.000 2.217 61 K HA -0.195 4.131 4.320 0.009 0.000 0.202 61 K C 1.796 178.473 176.600 0.129 0.000 1.051 61 K CA 1.146 57.510 56.287 0.129 0.000 0.952 61 K CB -0.230 32.342 32.500 0.120 0.000 0.736 61 K HN 0.281 nan 8.250 nan 0.000 0.453 62 W N 1.169 122.482 121.300 0.022 0.000 2.381 62 W HA -0.099 4.567 4.660 0.010 0.000 0.301 62 W C 1.033 177.545 176.519 -0.013 0.000 1.205 62 W CA 1.092 58.445 57.345 0.014 0.000 1.285 62 W CB -0.094 29.388 29.460 0.037 0.000 1.133 62 W HN -0.103 nan 8.180 nan 0.000 0.521 63 L N 1.179 122.323 121.223 -0.132 0.000 2.610 63 L HA 0.257 4.602 4.340 0.009 0.000 0.232 63 L C 1.800 178.471 176.870 -0.333 0.000 1.149 63 L CA 1.237 55.858 54.840 -0.365 0.000 0.872 63 L CB -0.941 40.990 42.059 -0.212 0.000 0.992 63 L HN 0.252 nan 8.230 nan 0.000 0.447 64 G N 0.335 108.997 108.800 -0.230 0.000 2.212 64 G HA2 -0.263 3.702 3.960 0.009 0.000 0.255 64 G HA3 -0.263 3.702 3.960 0.009 0.000 0.255 64 G C -0.028 174.679 174.900 -0.322 0.000 1.062 64 G CA -0.203 44.768 45.100 -0.215 0.000 0.815 64 G HN 0.237 nan 8.290 nan 0.000 0.497 65 L N 2.094 123.137 121.223 -0.300 0.000 2.321 65 L HA 0.478 4.823 4.340 0.009 0.000 0.272 65 L C 0.757 177.685 176.870 0.096 0.000 1.050 65 L CA -0.491 54.031 54.840 -0.530 0.000 0.893 65 L CB 1.134 42.967 42.059 -0.377 0.000 1.272 65 L HN 0.326 nan 8.230 nan 0.000 0.435 66 S N 0.925 116.779 115.700 0.256 0.000 2.586 66 S HA 0.643 5.119 4.470 0.009 0.000 0.274 66 S C -0.578 174.268 174.600 0.410 0.000 1.281 66 S CA -0.701 57.601 58.200 0.170 0.000 1.035 66 S CB 0.934 64.141 63.200 0.012 0.000 0.962 66 S HN 0.387 nan 8.310 nan 0.000 0.512 67 Y N -1.251 119.167 120.300 0.196 0.000 2.487 67 Y HA 0.676 5.231 4.550 0.010 0.000 0.337 67 Y C -0.355 175.506 175.900 -0.065 0.000 1.076 67 Y CA -1.478 56.627 58.100 0.009 0.000 1.115 67 Y CB 0.491 38.751 38.460 -0.333 0.000 1.235 67 Y HN 0.526 nan 8.280 nan 0.000 0.468 68 D N -0.192 120.234 120.400 0.044 0.000 2.339 68 D HA 0.133 4.778 4.640 0.009 0.000 0.217 68 D C -0.765 175.495 176.300 -0.067 0.000 1.050 68 D CA 0.237 54.221 54.000 -0.027 0.000 0.856 68 D CB 0.366 41.149 40.800 -0.028 0.000 0.922 68 D HN 0.665 nan 8.370 nan 0.000 0.518 69 E N -0.334 119.800 120.200 -0.110 0.000 2.343 69 E HA 0.603 4.959 4.350 0.009 0.000 0.286 69 E C -0.579 175.671 176.600 -0.584 0.000 0.915 69 E CA -0.856 55.312 56.400 -0.388 0.000 0.784 69 E CB 2.220 31.658 29.700 -0.438 0.000 1.251 69 E HN 0.126 nan 8.360 nan 0.000 0.407 70 G N 1.910 110.289 108.800 -0.702 0.000 2.488 70 G HA2 0.336 4.301 3.960 0.009 0.000 0.301 70 G HA3 0.336 4.301 3.960 0.009 0.000 0.301 70 G C -2.743 171.975 174.900 -0.303 0.000 1.339 70 G CA -0.851 43.918 45.100 -0.552 0.000 0.803 70 G HN 0.205 nan 8.290 nan 0.000 0.482 71 P HA 0.001 nan 4.420 nan 0.000 0.212 71 P C 1.371 178.707 177.300 0.060 0.000 1.180 71 P CA 1.861 64.987 63.100 0.044 0.000 0.906 71 P CB -0.019 31.702 31.700 0.035 0.000 0.782 72 D N -1.109 119.326 120.400 0.058 0.000 2.362 72 D HA -0.122 4.524 4.640 0.009 0.000 0.215 72 D C 1.131 177.466 176.300 0.057 0.000 0.978 72 D CA 1.130 55.171 54.000 0.068 0.000 0.921 72 D CB -0.887 39.971 40.800 0.097 0.000 0.895 72 D HN 0.107 nan 8.370 nan 0.000 0.494 73 V N -1.650 118.294 119.914 0.050 0.000 3.392 73 V HA 0.500 4.626 4.120 0.009 0.000 0.294 73 V C 1.041 177.161 176.094 0.042 0.000 1.561 73 V CA 0.128 62.448 62.300 0.034 0.000 1.056 73 V CB -0.003 31.834 31.823 0.022 0.000 0.882 73 V HN 0.547 nan 8.190 nan 0.000 0.440 74 A N 1.003 123.878 122.820 0.091 0.000 5.798 74 A HA 0.164 4.490 4.320 0.009 0.000 0.300 74 A C 0.695 178.403 177.584 0.206 0.000 1.909 74 A CA 1.608 53.793 52.037 0.247 0.000 0.724 74 A CB -1.409 17.705 19.000 0.189 0.000 1.265 74 A HN 2.327 nan 8.150 nan 0.000 0.385 75 A N -4.638 118.367 122.820 0.308 0.000 2.301 75 A HA 0.512 4.837 4.320 0.009 0.000 0.288 75 A C -1.805 175.895 177.584 0.192 0.000 0.984 75 A CA 0.445 52.606 52.037 0.206 0.000 0.540 75 A CB -1.179 17.890 19.000 0.114 0.000 1.542 75 A HN 1.127 nan 8.150 nan 0.000 0.637 76 P HA -0.077 nan 4.420 nan 0.000 0.215 76 P C 0.871 178.178 177.300 0.010 0.000 1.163 76 P CA 2.217 65.349 63.100 0.052 0.000 0.894 76 P CB -0.050 31.672 31.700 0.036 0.000 0.791 77 T N 0.357 114.931 114.554 0.034 0.000 3.820 77 T HA 0.369 4.725 4.350 0.009 0.000 0.224 77 T C 1.070 175.505 174.700 -0.441 0.000 0.869 77 T CA 0.260 62.283 62.100 -0.129 0.000 0.932 77 T CB -1.094 67.736 68.868 -0.063 0.000 1.259 77 T HN 0.331 nan 8.240 nan 0.000 0.676 78 G N 3.326 111.958 108.800 -0.281 0.000 2.582 78 G HA2 -0.243 3.722 3.960 0.009 0.000 0.369 78 G HA3 -0.243 3.722 3.960 0.009 0.000 0.369 78 G C -2.288 172.265 174.900 -0.579 0.000 1.370 78 G CA -0.828 44.091 45.100 -0.302 0.000 0.955 78 G HN 0.435 nan 8.290 nan 0.000 0.525 79 P HA 0.247 nan 4.420 nan 0.000 0.264 79 P C -0.750 176.180 177.300 -0.617 0.000 1.183 79 P CA 0.684 63.553 63.100 -0.385 0.000 0.763 79 P CB -0.008 31.553 31.700 -0.232 0.000 0.807 80 Y N 3.061 123.328 120.300 -0.056 0.000 2.495 80 Y HA 0.492 5.047 4.550 0.009 0.000 0.362 80 Y C 0.703 176.576 175.900 -0.045 0.000 0.956 80 Y CA -0.262 57.801 58.100 -0.061 0.000 1.127 80 Y CB 0.487 38.904 38.460 -0.073 0.000 1.173 80 Y HN 0.200 nan 8.280 nan 0.000 0.639 81 R N 0.765 121.283 120.500 0.030 0.000 3.321 81 R HA 0.079 4.424 4.340 0.009 0.000 0.285 81 R C 0.447 176.749 176.300 0.003 0.000 1.149 81 R CA -0.149 55.969 56.100 0.031 0.000 1.191 81 R CB 0.902 31.227 30.300 0.041 0.000 1.276 81 R HN 0.452 nan 8.270 nan 0.000 0.429 82 Q N 0.185 120.004 119.800 0.031 0.000 2.133 82 Q HA -0.191 4.155 4.340 0.009 0.000 0.208 82 Q C 1.497 177.527 176.000 0.051 0.000 0.991 82 Q CA 2.331 58.183 55.803 0.082 0.000 0.867 82 Q CB 0.040 28.810 28.738 0.054 0.000 0.911 82 Q HN 0.659 nan 8.270 nan 0.000 0.417 83 S N 0.019 115.703 115.700 -0.027 0.000 2.555 83 S HA -0.102 4.373 4.470 0.009 0.000 0.230 83 S C 1.468 176.020 174.600 -0.079 0.000 0.978 83 S CA 1.001 59.144 58.200 -0.095 0.000 0.934 83 S CB -0.077 63.085 63.200 -0.063 0.000 0.766 83 S HN 0.544 nan 8.310 nan 0.000 0.533 84 E N 0.464 120.625 120.200 -0.065 0.000 2.447 84 E HA 0.162 4.517 4.350 0.009 0.000 0.204 84 E C 1.769 178.296 176.600 -0.123 0.000 0.977 84 E CA -0.444 55.910 56.400 -0.077 0.000 0.950 84 E CB -0.125 29.541 29.700 -0.056 0.000 0.975 84 E HN 0.378 nan 8.360 nan 0.000 0.496 85 R N 0.463 120.863 120.500 -0.167 0.000 2.310 85 R HA 0.120 4.466 4.340 0.009 0.000 0.202 85 R C 1.625 177.624 176.300 -0.501 0.000 0.933 85 R CA -0.169 55.735 56.100 -0.326 0.000 1.054 85 R CB -0.063 30.003 30.300 -0.389 0.000 0.985 85 R HN 0.110 nan 8.270 nan 0.000 0.489 86 L N 2.020 123.095 121.223 -0.248 0.000 2.040 86 L HA -0.229 4.117 4.340 0.009 0.000 0.228 86 L C -0.816 175.976 176.870 -0.131 0.000 1.092 86 L CA 2.362 57.137 54.840 -0.110 0.000 0.805 86 L CB -1.314 40.692 42.059 -0.088 0.000 0.905 86 L HN 0.058 nan 8.230 nan 0.000 0.443 87 P HA -0.177 nan 4.420 nan 0.000 0.216 87 P C 1.874 179.090 177.300 -0.140 0.000 1.150 87 P CA 0.938 63.978 63.100 -0.100 0.000 0.843 87 P CB -0.071 31.574 31.700 -0.092 0.000 0.787 88 L N -2.316 118.749 121.223 -0.263 0.000 2.549 88 L HA -0.144 4.201 4.340 0.009 0.000 0.230 88 L C 1.473 178.296 176.870 -0.078 0.000 1.162 88 L CA 1.685 56.400 54.840 -0.208 0.000 0.834 88 L CB -1.196 40.672 42.059 -0.318 0.000 0.947 88 L HN 0.040 nan 8.230 nan 0.000 0.452 89 Y N -2.417 117.937 120.300 0.090 0.000 2.503 89 Y HA 0.045 4.601 4.550 0.009 0.000 0.277 89 Y C 2.430 178.394 175.900 0.107 0.000 1.102 89 Y CA 0.332 58.501 58.100 0.114 0.000 1.261 89 Y CB -0.504 37.974 38.460 0.029 0.000 1.096 89 Y HN 0.207 nan 8.280 nan 0.000 0.546 90 Q N 2.265 122.170 119.800 0.176 0.000 2.083 90 Q HA -0.190 4.156 4.340 0.009 0.000 0.198 90 Q C 1.792 177.835 176.000 0.073 0.000 0.969 90 Q CA 1.940 57.810 55.803 0.112 0.000 0.838 90 Q CB -0.015 28.763 28.738 0.067 0.000 0.900 90 Q HN 0.646 nan 8.270 nan 0.000 0.436 91 K N -1.194 119.208 120.400 0.004 0.000 2.148 91 K HA -0.129 4.196 4.320 0.009 0.000 0.204 91 K C 1.528 178.038 176.600 -0.149 0.000 1.050 91 K CA 1.508 57.722 56.287 -0.122 0.000 0.942 91 K CB -0.412 31.954 32.500 -0.224 0.000 0.724 91 K HN 0.150 nan 8.250 nan 0.000 0.446 92 Y N 0.872 121.264 120.300 0.154 0.000 2.347 92 Y HA 0.234 4.790 4.550 0.009 0.000 0.294 92 Y C 2.725 178.776 175.900 0.251 0.000 1.117 92 Y CA 0.565 58.840 58.100 0.292 0.000 1.184 92 Y CB -0.331 38.317 38.460 0.314 0.000 1.047 92 Y HN 0.162 nan 8.280 nan 0.000 0.546 93 A N 0.619 123.629 122.820 0.317 0.000 1.917 93 A HA -0.325 4.001 4.320 0.009 0.000 0.219 93 A C 2.170 179.817 177.584 0.106 0.000 1.182 93 A CA 2.271 54.416 52.037 0.179 0.000 0.633 93 A CB -0.815 18.270 19.000 0.141 0.000 0.819 93 A HN 0.592 nan 8.150 nan 0.000 0.448 94 E N -0.238 120.015 120.200 0.089 0.000 2.028 94 E HA -0.264 4.092 4.350 0.009 0.000 0.191 94 E C 2.056 178.678 176.600 0.037 0.000 0.988 94 E CA 1.350 57.781 56.400 0.051 0.000 0.799 94 E CB -0.390 29.327 29.700 0.028 0.000 0.755 94 E HN 0.725 nan 8.360 nan 0.000 0.447 95 E N 0.203 120.429 120.200 0.043 0.000 2.070 95 E HA -0.237 4.119 4.350 0.009 0.000 0.197 95 E C 2.264 178.861 176.600 -0.006 0.000 1.004 95 E CA 1.229 57.653 56.400 0.040 0.000 0.805 95 E CB -0.157 29.602 29.700 0.098 0.000 0.744 95 E HN 0.326 nan 8.360 nan 0.000 0.451 96 L N 0.554 121.746 121.223 -0.052 0.000 2.187 96 L HA -0.176 4.170 4.340 0.009 0.000 0.213 96 L C 2.238 179.084 176.870 -0.040 0.000 1.100 96 L CA 1.031 55.748 54.840 -0.205 0.000 0.765 96 L CB -0.325 41.541 42.059 -0.323 0.000 0.904 96 L HN 0.252 nan 8.230 nan 0.000 0.437 97 L N -0.703 120.524 121.223 0.007 0.000 2.049 97 L HA -0.054 4.292 4.340 0.009 0.000 0.203 97 L C 1.324 178.217 176.870 0.038 0.000 1.074 97 L CA 1.322 56.185 54.840 0.039 0.000 0.749 97 L CB -0.436 41.650 42.059 0.044 0.000 0.907 97 L HN 0.052 nan 8.230 nan 0.000 0.439 98 K N 0.467 120.884 120.400 0.028 0.000 2.408 98 K HA 0.129 4.455 4.320 0.009 0.000 0.231 98 K C 0.251 176.869 176.600 0.029 0.000 1.261 98 K CA 0.337 56.639 56.287 0.026 0.000 1.193 98 K CB -0.159 32.353 32.500 0.021 0.000 1.431 98 K HN 0.168 nan 8.250 nan 0.000 0.243 99 R N -0.493 120.030 120.500 0.040 0.000 2.417 99 R HA -0.033 4.313 4.340 0.009 0.000 0.050 99 R C -0.044 176.298 176.300 0.070 0.000 0.514 99 R CA 0.281 56.420 56.100 0.066 0.000 0.894 99 R CB 0.096 30.450 30.300 0.091 0.000 0.910 99 R HN 0.602 nan 8.270 nan 0.000 0.557 100 G N 1.103 109.929 108.800 0.043 0.000 2.386 100 G HA2 -0.262 3.704 3.960 0.009 0.000 0.295 100 G HA3 -0.262 3.704 3.960 0.009 0.000 0.295 100 G C 0.064 174.954 174.900 -0.016 0.000 0.979 100 G CA 0.748 45.851 45.100 0.005 0.000 1.193 100 G HN 0.451 nan 8.290 nan 0.000 0.508 101 W N -0.785 120.474 121.300 -0.068 0.000 2.741 101 W HA 0.606 5.271 4.660 0.009 0.000 0.317 101 W C 0.780 177.263 176.519 -0.061 0.000 1.029 101 W CA 0.652 57.941 57.345 -0.093 0.000 1.511 101 W CB 0.802 30.147 29.460 -0.191 0.000 1.025 101 W HN 0.779 nan 8.180 nan 0.000 0.554 102 A N 0.322 123.244 122.820 0.170 0.000 2.483 102 A HA 0.769 5.095 4.320 0.009 0.000 0.286 102 A C -1.798 175.882 177.584 0.159 0.000 1.207 102 A CA -0.405 51.686 52.037 0.091 0.000 0.764 102 A CB 1.480 20.482 19.000 0.002 0.000 1.341 102 A HN 0.253 nan 8.150 nan 0.000 0.428 103 Y N -2.138 118.172 120.300 0.018 0.000 2.662 103 Y HA 0.736 5.292 4.550 0.010 0.000 0.334 103 Y C -0.863 175.020 175.900 -0.027 0.000 1.185 103 Y CA -1.228 56.874 58.100 0.004 0.000 1.074 103 Y CB 0.615 39.083 38.460 0.013 0.000 1.330 103 Y HN 0.703 nan 8.280 nan 0.000 0.458 104 R N 1.712 122.248 120.500 0.060 0.000 2.457 104 R HA 0.877 5.222 4.340 0.009 0.000 0.284 104 R C -1.090 175.101 176.300 -0.181 0.000 1.024 104 R CA -0.477 55.500 56.100 -0.205 0.000 1.025 104 R CB 1.586 31.628 30.300 -0.430 0.000 1.063 104 R HN 0.893 nan 8.270 nan 0.000 0.493 105 A N 2.327 124.903 122.820 -0.406 0.000 2.414 105 A HA 0.440 4.766 4.320 0.009 0.000 0.286 105 A C -0.744 176.640 177.584 -0.335 0.000 1.073 105 A CA -0.732 51.200 52.037 -0.175 0.000 0.727 105 A CB 0.406 19.410 19.000 0.007 0.000 1.215 105 A HN 0.758 nan 8.150 nan 0.000 0.430 106 F N 0.403 120.428 119.950 0.126 0.000 2.727 106 F HA 0.205 4.737 4.527 0.009 0.000 0.302 106 F C 0.540 176.380 175.800 0.066 0.000 1.097 106 F CA -0.256 57.806 58.000 0.102 0.000 1.330 106 F CB -0.066 38.986 39.000 0.087 0.000 1.084 106 F HN 0.500 nan 8.300 nan 0.000 0.578 107 E N 1.092 121.398 120.200 0.177 0.000 2.452 107 E HA 0.073 4.428 4.350 0.009 0.000 0.261 107 E C 0.773 177.414 176.600 0.068 0.000 0.987 107 E CA 0.079 56.550 56.400 0.119 0.000 0.926 107 E CB -0.001 29.753 29.700 0.090 0.000 0.934 107 E HN 0.194 nan 8.360 nan 0.000 0.452 108 T N 0.284 114.879 114.554 0.068 0.000 2.813 108 T HA 0.162 4.517 4.350 0.009 0.000 0.297 108 T C -1.774 172.939 174.700 0.021 0.000 1.036 108 T CA -1.619 60.507 62.100 0.043 0.000 1.044 108 T CB 0.878 69.773 68.868 0.045 0.000 0.993 108 T HN 0.153 nan 8.240 nan 0.000 0.535 109 P HA -0.037 nan 4.420 nan 0.000 0.218 109 P C 1.154 178.461 177.300 0.010 0.000 1.149 109 P CA 0.879 63.977 63.100 -0.003 0.000 0.817 109 P CB 0.055 31.750 31.700 -0.007 0.000 0.785 110 E N -0.344 119.867 120.200 0.017 0.000 2.072 110 E HA -0.171 4.185 4.350 0.009 0.000 0.191 110 E C 2.007 178.626 176.600 0.032 0.000 0.985 110 E CA 1.066 57.479 56.400 0.022 0.000 0.801 110 E CB -0.701 29.012 29.700 0.022 0.000 0.750 110 E HN 0.354 nan 8.360 nan 0.000 0.452 111 E N 0.289 120.513 120.200 0.040 0.000 2.028 111 E HA -0.127 4.229 4.350 0.009 0.000 0.191 111 E C 1.961 178.601 176.600 0.067 0.000 0.988 111 E CA 0.808 57.242 56.400 0.057 0.000 0.799 111 E CB -0.085 29.659 29.700 0.072 0.000 0.755 111 E HN 0.146 nan 8.360 nan 0.000 0.447 112 L N 0.809 122.064 121.223 0.053 0.000 2.043 112 L HA -0.233 4.112 4.340 0.009 0.000 0.212 112 L C 2.564 179.470 176.870 0.058 0.000 1.075 112 L CA 1.279 56.152 54.840 0.055 0.000 0.752 112 L CB -0.447 41.605 42.059 -0.012 0.000 0.891 112 L HN 0.184 nan 8.230 nan 0.000 0.432 113 E N 0.024 120.247 120.200 0.038 0.000 2.267 113 E HA -0.268 4.088 4.350 0.009 0.000 0.197 113 E C 1.997 178.621 176.600 0.040 0.000 0.998 113 E CA 1.250 57.671 56.400 0.034 0.000 0.830 113 E CB 0.051 29.765 29.700 0.024 0.000 0.751 113 E HN 0.364 nan 8.360 nan 0.000 0.491 114 Q N -0.517 119.311 119.800 0.046 0.000 2.259 114 Q HA 0.174 4.520 4.340 0.009 0.000 0.201 114 Q C 2.015 178.046 176.000 0.051 0.000 0.938 114 Q CA 0.926 56.754 55.803 0.043 0.000 0.872 114 Q CB -0.106 28.656 28.738 0.039 0.000 0.971 114 Q HN 0.385 nan 8.270 nan 0.000 0.494 115 I N 0.282 120.897 120.570 0.074 0.000 2.163 115 I HA -0.320 3.856 4.170 0.009 0.000 0.243 115 I C 2.568 178.725 176.117 0.068 0.000 1.085 115 I CA 1.328 62.677 61.300 0.081 0.000 1.347 115 I CB -0.420 37.666 38.000 0.144 0.000 1.044 115 I HN 0.248 nan 8.210 nan 0.000 0.408 116 R N 1.900 122.446 120.500 0.077 0.000 2.148 116 R HA -0.246 4.100 4.340 0.009 0.000 0.230 116 R C 2.176 178.500 176.300 0.040 0.000 1.120 116 R CA 2.071 58.207 56.100 0.061 0.000 0.902 116 R CB -0.348 29.985 30.300 0.055 0.000 0.839 116 R HN 0.253 nan 8.270 nan 0.000 0.431 117 K N -0.070 120.350 120.400 0.033 0.000 2.444 117 K HA -0.189 4.137 4.320 0.009 0.000 0.200 117 K C 1.592 178.204 176.600 0.021 0.000 1.045 117 K CA 1.716 58.018 56.287 0.024 0.000 0.934 117 K CB -0.002 32.510 32.500 0.021 0.000 0.756 117 K HN 0.488 nan 8.250 nan 0.000 0.477 118 E N -0.823 119.391 120.200 0.023 0.000 2.453 118 E HA 0.049 4.404 4.350 0.009 0.000 0.211 118 E C 0.660 177.268 176.600 0.013 0.000 0.897 118 E CA 0.213 56.623 56.400 0.017 0.000 1.063 118 E CB 0.667 30.378 29.700 0.017 0.000 1.080 118 E HN 0.101 nan 8.360 nan 0.000 0.512 119 K N -0.434 119.976 120.400 0.017 0.000 2.501 119 K HA 0.239 4.565 4.320 0.009 0.000 0.204 119 K C 0.669 177.277 176.600 0.013 0.000 1.067 119 K CA 0.437 56.729 56.287 0.008 0.000 1.060 119 K CB 1.889 34.387 32.500 -0.003 0.000 0.873 119 K HN 0.182 nan 8.250 nan 0.000 0.540 120 G N 1.125 109.937 108.800 0.021 0.000 2.245 120 G HA2 -0.275 3.690 3.960 0.009 0.000 0.264 120 G HA3 -0.275 3.690 3.960 0.009 0.000 0.264 120 G C 0.410 175.332 174.900 0.037 0.000 0.985 120 G CA 0.168 45.282 45.100 0.023 0.000 0.625 120 G HN 0.709 nan 8.290 nan 0.000 0.536 121 G N -2.091 106.740 108.800 0.051 0.000 2.327 121 G HA2 0.497 4.462 3.960 0.009 0.000 0.291 121 G HA3 0.497 4.462 3.960 0.009 0.000 0.291 121 G C -0.879 174.096 174.900 0.125 0.000 1.290 121 G CA 0.042 45.195 45.100 0.088 0.000 0.857 121 G HN 1.303 nan 8.290 nan 0.000 0.520 122 Y N 2.408 122.721 120.300 0.022 0.000 2.770 122 Y HA 0.223 4.779 4.550 0.011 0.000 0.342 122 Y C 1.747 177.670 175.900 0.038 0.000 1.221 122 Y CA 0.484 58.605 58.100 0.034 0.000 1.560 122 Y CB 0.699 39.183 38.460 0.039 0.000 1.213 122 Y HN 0.549 nan 8.280 nan 0.000 0.525 123 D N 3.366 123.500 120.400 -0.444 0.000 2.352 123 D HA 0.017 4.663 4.640 0.009 0.000 0.232 123 D C 1.513 177.485 176.300 -0.546 0.000 1.055 123 D CA 0.607 54.377 54.000 -0.383 0.000 0.891 123 D CB -0.595 40.074 40.800 -0.218 0.000 0.897 123 D HN 0.822 nan 8.370 nan 0.000 0.529 124 G N 1.919 110.075 108.800 -1.073 0.000 2.283 124 G HA2 -0.435 3.531 3.960 0.009 0.000 0.280 124 G HA3 -0.435 3.531 3.960 0.009 0.000 0.280 124 G C 1.098 175.765 174.900 -0.388 0.000 1.029 124 G CA 0.623 45.387 45.100 -0.560 0.000 0.840 124 G HN 0.632 nan 8.290 nan 0.000 0.505 125 R N -0.752 119.480 120.500 -0.447 0.000 2.120 125 R HA 0.204 4.549 4.340 0.009 0.000 0.234 125 R C 2.538 178.822 176.300 -0.027 0.000 1.123 125 R CA 1.637 57.642 56.100 -0.159 0.000 0.975 125 R CB -0.520 29.731 30.300 -0.082 0.000 0.866 125 R HN 0.863 nan 8.270 nan 0.000 0.446 126 A N 1.689 124.612 122.820 0.171 0.000 2.259 126 A HA -0.048 4.277 4.320 0.009 0.000 0.212 126 A C 1.691 179.199 177.584 -0.126 0.000 1.178 126 A CA 0.665 52.820 52.037 0.197 0.000 0.734 126 A CB -0.421 18.849 19.000 0.450 0.000 0.774 126 A HN 0.418 nan 8.150 nan 0.000 0.481 127 R N 0.228 120.470 120.500 -0.429 0.000 2.307 127 R HA 0.034 4.379 4.340 0.009 0.000 0.199 127 R C 0.058 176.182 176.300 -0.293 0.000 1.000 127 R CA 0.651 56.349 56.100 -0.669 0.000 1.023 127 R CB -0.067 29.820 30.300 -0.689 0.000 0.908 127 R HN 0.411 nan 8.270 nan 0.000 0.473 128 N N 0.890 119.492 118.700 -0.163 0.000 2.320 128 N HA 0.143 4.889 4.740 0.009 0.000 0.237 128 N C -0.513 174.970 175.510 -0.045 0.000 1.129 128 N CA 0.205 53.198 53.050 -0.095 0.000 0.854 128 N CB 0.715 39.153 38.487 -0.081 0.000 1.083 128 N HN 0.150 nan 8.380 nan 0.000 0.504 129 I N 1.951 122.509 120.570 -0.019 0.000 2.312 129 I HA 0.254 4.430 4.170 0.009 0.000 0.290 129 I C -2.104 174.023 176.117 0.017 0.000 1.008 129 I CA -2.076 59.241 61.300 0.028 0.000 1.226 129 I CB 1.284 39.356 38.000 0.121 0.000 1.371 129 I HN -0.304 nan 8.210 nan 0.000 0.468 130 P HA -0.031 nan 4.420 nan 0.000 0.261 130 P C -2.060 175.251 177.300 0.019 0.000 1.165 130 P CA -0.670 62.429 63.100 -0.001 0.000 0.759 130 P CB 0.008 31.704 31.700 -0.007 0.000 0.772 131 P HA -0.253 nan 4.420 nan 0.000 0.213 131 P C 1.443 178.765 177.300 0.036 0.000 1.176 131 P CA 1.484 64.604 63.100 0.034 0.000 0.919 131 P CB 0.020 31.731 31.700 0.019 0.000 0.791 132 E N -0.165 120.047 120.200 0.019 0.000 2.160 132 E HA -0.232 4.123 4.350 0.009 0.000 0.195 132 E C 1.956 178.562 176.600 0.010 0.000 0.991 132 E CA 1.397 57.805 56.400 0.014 0.000 0.810 132 E CB -0.732 28.971 29.700 0.005 0.000 0.742 132 E HN 0.327 nan 8.360 nan 0.000 0.466 133 E N -0.281 119.922 120.200 0.006 0.000 2.007 133 E HA -0.217 4.139 4.350 0.009 0.000 0.194 133 E C 2.004 178.602 176.600 -0.005 0.000 0.999 133 E CA 1.221 57.613 56.400 -0.013 0.000 0.811 133 E CB -0.375 29.312 29.700 -0.021 0.000 0.762 133 E HN 0.273 nan 8.360 nan 0.000 0.450 134 A N 1.157 124.014 122.820 0.061 0.000 2.054 134 A HA -0.265 4.060 4.320 0.009 0.000 0.223 134 A C 1.942 179.620 177.584 0.156 0.000 1.169 134 A CA 2.050 54.205 52.037 0.196 0.000 0.655 134 A CB -0.608 18.546 19.000 0.256 0.000 0.812 134 A HN 0.357 nan 8.150 nan 0.000 0.462 135 E N -0.399 119.840 120.200 0.065 0.000 2.158 135 E HA -0.127 4.229 4.350 0.009 0.000 0.191 135 E C 1.943 178.552 176.600 0.015 0.000 0.982 135 E CA 1.236 57.659 56.400 0.038 0.000 0.823 135 E CB -0.441 29.277 29.700 0.030 0.000 0.766 135 E HN 0.990 nan 8.360 nan 0.000 0.468 136 E N 1.730 121.925 120.200 -0.008 0.000 2.038 136 E HA -0.195 4.161 4.350 0.009 0.000 0.195 136 E C 2.099 178.674 176.600 -0.041 0.000 1.000 136 E CA 1.285 57.669 56.400 -0.026 0.000 0.803 136 E CB -0.220 29.452 29.700 -0.047 0.000 0.750 136 E HN 0.017 nan 8.360 nan 0.000 0.448 137 R N 0.492 120.936 120.500 -0.094 0.000 2.091 137 R HA -0.133 4.213 4.340 0.009 0.000 0.238 137 R C 2.552 178.844 176.300 -0.013 0.000 1.136 137 R CA 1.343 57.343 56.100 -0.167 0.000 0.959 137 R CB -0.611 29.358 30.300 -0.551 0.000 0.856 137 R HN 0.396 nan 8.270 nan 0.000 0.437 138 A N 1.213 124.053 122.820 0.032 0.000 1.858 138 A HA -0.216 4.109 4.320 0.009 0.000 0.216 138 A C 2.195 179.832 177.584 0.088 0.000 1.190 138 A CA 1.500 53.565 52.037 0.047 0.000 0.617 138 A CB -0.460 18.519 19.000 -0.036 0.000 0.827 138 A HN 0.140 nan 8.150 nan 0.000 0.443 139 R N -0.110 120.419 120.500 0.048 0.000 2.115 139 R HA -0.157 4.188 4.340 0.009 0.000 0.239 139 R C 2.347 178.673 176.300 0.044 0.000 1.133 139 R CA 2.128 58.254 56.100 0.043 0.000 0.935 139 R CB -0.410 29.904 30.300 0.023 0.000 0.853 139 R HN 0.593 nan 8.270 nan 0.000 0.433 140 R N -0.991 119.525 120.500 0.026 0.000 2.226 140 R HA -0.084 4.262 4.340 0.009 0.000 0.246 140 R C 0.894 177.224 176.300 0.049 0.000 1.161 140 R CA 1.124 57.237 56.100 0.023 0.000 0.997 140 R CB -0.498 29.801 30.300 -0.002 0.000 0.870 140 R HN 0.535 nan 8.270 nan 0.000 0.465 141 G N 1.700 110.551 108.800 0.085 0.000 2.255 141 G HA2 -0.258 3.708 3.960 0.009 0.000 0.239 141 G HA3 -0.258 3.708 3.960 0.009 0.000 0.239 141 G C -0.448 174.541 174.900 0.148 0.000 1.083 141 G CA -0.161 45.011 45.100 0.121 0.000 0.826 141 G HN 0.399 nan 8.290 nan 0.000 0.493 142 E N 0.686 121.003 120.200 0.195 0.000 2.259 142 E HA 0.331 4.687 4.350 0.009 0.000 0.281 142 E C -2.173 174.693 176.600 0.444 0.000 1.037 142 E CA -1.950 54.592 56.400 0.238 0.000 0.854 142 E CB 1.109 30.905 29.700 0.161 0.000 1.051 142 E HN 0.159 nan 8.360 nan 0.000 0.409 143 P HA 0.017 nan 4.420 nan 0.000 0.271 143 P C -0.997 176.477 177.300 0.290 0.000 1.233 143 P CA 0.508 63.732 63.100 0.207 0.000 0.764 143 P CB 0.409 32.165 31.700 0.093 0.000 0.825 144 H N 1.008 120.086 119.070 0.012 0.000 2.942 144 H HA 0.690 5.253 4.556 0.010 0.000 0.316 144 H C -0.947 174.275 175.328 -0.177 0.000 1.323 144 H CA -1.182 54.751 56.048 -0.191 0.000 1.144 144 H CB 0.705 30.088 29.762 -0.631 0.000 1.866 144 H HN 0.214 nan 8.280 nan 0.000 0.545 145 V N -1.258 118.509 119.914 -0.245 0.000 3.046 145 V HA 0.627 4.753 4.120 0.009 0.000 0.316 145 V C -0.229 175.752 176.094 -0.189 0.000 1.104 145 V CA -1.130 61.029 62.300 -0.236 0.000 1.006 145 V CB 2.010 33.709 31.823 -0.207 0.000 1.058 145 V HN 0.671 nan 8.190 nan 0.000 0.440 146 I N 2.543 123.013 120.570 -0.168 0.000 2.354 146 I HA 0.545 4.720 4.170 0.009 0.000 0.286 146 I C 0.269 176.244 176.117 -0.237 0.000 1.007 146 I CA -0.448 60.755 61.300 -0.162 0.000 1.167 146 I CB 1.268 39.232 38.000 -0.060 0.000 1.320 146 I HN 0.701 nan 8.210 nan 0.000 0.458 147 R N 4.161 124.400 120.500 -0.435 0.000 2.782 147 R HA 0.592 4.938 4.340 0.009 0.000 0.258 147 R C -0.818 175.295 176.300 -0.312 0.000 1.055 147 R CA -1.143 54.699 56.100 -0.430 0.000 1.065 147 R CB 1.813 31.724 30.300 -0.648 0.000 1.172 147 R HN 0.336 nan 8.270 nan 0.000 0.510 148 L N 1.237 122.373 121.223 -0.145 0.000 2.290 148 L HA 0.212 4.557 4.340 0.009 0.000 0.284 148 L C 0.003 176.944 176.870 0.117 0.000 1.078 148 L CA 0.296 55.135 54.840 -0.002 0.000 0.815 148 L CB 0.730 42.794 42.059 0.008 0.000 1.162 148 L HN 0.460 nan 8.230 nan 0.000 0.435 149 K N 4.793 125.313 120.400 0.200 0.000 2.765 149 K HA 0.287 4.613 4.320 0.009 0.000 0.246 149 K C -1.000 175.656 176.600 0.094 0.000 1.254 149 K CA -0.485 55.938 56.287 0.227 0.000 1.219 149 K CB -0.049 32.593 32.500 0.236 0.000 1.747 149 K HN 0.583 nan 8.250 nan 0.000 0.372 150 V N 3.808 123.796 119.914 0.123 0.000 2.557 150 V HA 0.003 4.129 4.120 0.009 0.000 0.301 150 V C -2.001 174.092 176.094 -0.000 0.000 1.026 150 V CA -1.101 61.252 62.300 0.087 0.000 1.137 150 V CB 0.271 32.138 31.823 0.073 0.000 0.917 150 V HN 0.570 nan 8.190 nan 0.000 0.484 151 P HA 0.185 nan 4.420 nan 0.000 0.266 151 P C 0.461 177.743 177.300 -0.030 0.000 1.419 151 P CA -0.202 62.848 63.100 -0.083 0.000 1.112 151 P CB 0.368 32.023 31.700 -0.076 0.000 1.438 152 R N 4.880 125.359 120.500 -0.035 0.000 2.091 152 R HA -0.102 4.244 4.340 0.009 0.000 0.238 152 R C -0.616 175.674 176.300 -0.018 0.000 1.136 152 R CA 1.717 57.804 56.100 -0.022 0.000 0.959 152 R CB -1.926 28.354 30.300 -0.034 0.000 0.856 152 R HN 0.449 nan 8.270 nan 0.000 0.437 153 P HA 0.220 nan 4.420 nan 0.000 0.249 153 P C -0.075 177.219 177.300 -0.010 0.000 1.544 153 P CA 0.313 63.401 63.100 -0.020 0.000 0.932 153 P CB 0.517 32.198 31.700 -0.031 0.000 1.524 154 G N -1.238 107.563 108.800 0.002 0.000 3.251 154 G HA2 0.572 4.538 3.960 0.009 0.000 0.248 154 G HA3 0.572 4.538 3.960 0.009 0.000 0.248 154 G C -1.332 173.589 174.900 0.035 0.000 1.320 154 G CA -0.308 44.801 45.100 0.017 0.000 0.982 154 G HN -0.027 nan 8.290 nan 0.000 0.575 155 T N -0.356 114.227 114.554 0.048 0.000 2.900 155 T HA 0.683 5.038 4.350 0.009 0.000 0.295 155 T C -1.019 173.735 174.700 0.090 0.000 1.044 155 T CA -0.187 61.953 62.100 0.066 0.000 0.995 155 T CB 1.782 70.680 68.868 0.050 0.000 1.072 155 T HN 0.473 nan 8.240 nan 0.000 0.473 156 T N 3.298 117.928 114.554 0.126 0.000 2.879 156 T HA 0.419 4.775 4.350 0.009 0.000 0.290 156 T C -0.989 173.829 174.700 0.197 0.000 0.993 156 T CA -0.758 61.428 62.100 0.143 0.000 0.975 156 T CB 1.314 70.246 68.868 0.107 0.000 0.981 156 T HN 0.487 nan 8.240 nan 0.000 0.439 157 E N 2.300 122.588 120.200 0.147 0.000 2.145 157 E HA 0.548 4.904 4.350 0.009 0.000 0.270 157 E C -0.891 175.789 176.600 0.133 0.000 0.906 157 E CA -0.693 55.788 56.400 0.136 0.000 0.761 157 E CB 2.116 31.864 29.700 0.081 0.000 1.116 157 E HN 0.272 nan 8.360 nan 0.000 0.408 158 V N 3.160 123.172 119.914 0.164 0.000 2.628 158 V HA 0.377 4.502 4.120 0.009 0.000 0.306 158 V C -0.161 175.985 176.094 0.086 0.000 1.045 158 V CA -0.858 61.509 62.300 0.111 0.000 0.905 158 V CB 2.013 33.889 31.823 0.089 0.000 0.997 158 V HN 0.522 nan 8.190 nan 0.000 0.436 159 K N 2.887 123.337 120.400 0.082 0.000 2.292 159 K HA 0.419 4.745 4.320 0.009 0.000 0.257 159 K C -1.226 175.416 176.600 0.069 0.000 0.940 159 K CA -0.565 55.755 56.287 0.055 0.000 0.811 159 K CB 1.544 34.062 32.500 0.030 0.000 1.120 159 K HN 0.880 nan 8.250 nan 0.000 0.428 160 D N 3.555 123.973 120.400 0.031 0.000 2.308 160 D HA 0.076 4.721 4.640 0.009 0.000 0.242 160 D C 0.241 176.479 176.300 -0.103 0.000 1.059 160 D CA -0.275 53.742 54.000 0.029 0.000 0.830 160 D CB 1.600 42.467 40.800 0.110 0.000 1.161 160 D HN 0.567 nan 8.370 nan 0.000 0.494 161 E N 2.768 122.783 120.200 -0.308 0.000 2.331 161 E HA -0.082 4.273 4.350 0.009 0.000 0.199 161 E C 1.424 177.904 176.600 -0.200 0.000 1.008 161 E CA 0.805 56.972 56.400 -0.388 0.000 0.843 161 E CB 0.292 29.459 29.700 -0.888 0.000 0.761 161 E HN 0.624 nan 8.360 nan 0.000 0.507 162 L N -0.887 120.265 121.223 -0.118 0.000 2.642 162 L HA 0.208 4.554 4.340 0.009 0.000 0.233 162 L C 1.801 178.678 176.870 0.013 0.000 1.077 162 L CA 0.051 54.880 54.840 -0.018 0.000 0.879 162 L CB 0.186 42.264 42.059 0.032 0.000 1.151 162 L HN -0.082 nan 8.230 nan 0.000 0.495 163 R N 0.821 121.327 120.500 0.010 0.000 2.437 163 R HA 0.444 4.789 4.340 0.009 0.000 0.257 163 R C 0.674 176.975 176.300 0.002 0.000 0.927 163 R CA 0.468 56.578 56.100 0.016 0.000 1.078 163 R CB 0.785 31.100 30.300 0.025 0.000 1.161 163 R HN 0.195 nan 8.270 nan 0.000 0.529 164 G N 1.318 110.114 108.800 -0.006 0.000 2.760 164 G HA2 -0.247 3.718 3.960 0.009 0.000 0.246 164 G HA3 -0.247 3.718 3.960 0.009 0.000 0.246 164 G C -0.313 174.585 174.900 -0.003 0.000 1.359 164 G CA -0.567 44.528 45.100 -0.008 0.000 0.861 164 G HN 0.010 nan 8.290 nan 0.000 0.541 165 V N -0.331 119.582 119.914 -0.003 0.000 2.811 165 V HA 0.494 4.620 4.120 0.009 0.000 0.302 165 V C 0.948 177.029 176.094 -0.021 0.000 1.063 165 V CA 0.097 62.398 62.300 0.002 0.000 1.088 165 V CB 1.222 33.047 31.823 0.003 0.000 0.982 165 V HN 1.111 nan 8.190 nan 0.000 0.485 166 V N 3.795 123.695 119.914 -0.024 0.000 2.841 166 V HA 0.504 4.629 4.120 0.009 0.000 0.310 166 V C -0.472 175.540 176.094 -0.137 0.000 1.090 166 V CA -0.740 61.486 62.300 -0.122 0.000 0.930 166 V CB 2.035 33.733 31.823 -0.208 0.000 1.014 166 V HN 0.575 nan 8.190 nan 0.000 0.425 167 V N 3.419 123.202 119.914 -0.217 0.000 2.427 167 V HA 0.541 4.667 4.120 0.009 0.000 0.286 167 V C -1.091 174.824 176.094 -0.299 0.000 1.034 167 V CA -0.649 61.568 62.300 -0.140 0.000 0.893 167 V CB 1.181 32.961 31.823 -0.071 0.000 0.982 167 V HN 0.754 nan 8.190 nan 0.000 0.452 168 Y N 1.383 121.678 120.300 -0.009 0.000 2.409 168 Y HA 0.457 5.012 4.550 0.009 0.000 0.343 168 Y C 0.141 176.039 175.900 -0.004 0.000 0.973 168 Y CA -0.839 57.255 58.100 -0.011 0.000 1.064 168 Y CB 1.649 40.100 38.460 -0.015 0.000 1.207 168 Y HN 0.631 nan 8.280 nan 0.000 0.452 169 D N 1.726 122.210 120.400 0.140 0.000 2.308 169 D HA 0.070 4.715 4.640 0.009 0.000 0.251 169 D C 0.489 176.854 176.300 0.109 0.000 1.127 169 D CA 0.213 54.266 54.000 0.088 0.000 0.876 169 D CB 0.721 41.550 40.800 0.048 0.000 1.176 169 D HN 0.721 nan 8.370 nan 0.000 0.446 170 N N 2.137 120.884 118.700 0.078 0.000 2.513 170 N HA -0.159 4.587 4.740 0.009 0.000 0.187 170 N C 1.084 176.617 175.510 0.038 0.000 1.056 170 N CA 0.310 53.393 53.050 0.055 0.000 0.907 170 N CB 0.305 38.818 38.487 0.043 0.000 0.954 170 N HN 0.468 nan 8.380 nan 0.000 0.445 171 Q N 1.073 120.896 119.800 0.038 0.000 2.123 171 Q HA -0.093 4.252 4.340 0.009 0.000 0.199 171 Q C 1.464 177.483 176.000 0.033 0.000 0.966 171 Q CA 0.977 56.795 55.803 0.025 0.000 0.845 171 Q CB -0.091 28.656 28.738 0.015 0.000 0.907 171 Q HN 0.573 nan 8.270 nan 0.000 0.439 172 E N 0.376 120.611 120.200 0.058 0.000 2.265 172 E HA -0.075 4.281 4.350 0.009 0.000 0.196 172 E C 0.282 176.904 176.600 0.037 0.000 0.996 172 E CA 0.371 56.816 56.400 0.074 0.000 0.832 172 E CB -0.027 29.770 29.700 0.162 0.000 0.756 172 E HN 0.308 nan 8.360 nan 0.000 0.491 173 I N 2.912 123.489 120.570 0.011 0.000 2.331 173 I HA 0.224 4.400 4.170 0.009 0.000 0.292 173 I C -2.229 173.880 176.117 -0.014 0.000 0.998 173 I CA -2.445 58.829 61.300 -0.042 0.000 1.267 173 I CB 1.197 39.153 38.000 -0.073 0.000 1.386 173 I HN -0.175 nan 8.210 nan 0.000 0.476 174 P HA 0.242 nan 4.420 nan 0.000 0.287 174 P C -1.270 176.040 177.300 0.018 0.000 1.279 174 P CA -0.674 62.434 63.100 0.012 0.000 0.867 174 P CB 1.191 32.901 31.700 0.016 0.000 1.127 175 D N 1.091 121.542 120.400 0.085 0.000 2.441 175 D HA 0.121 4.767 4.640 0.009 0.000 0.243 175 D C 0.385 176.708 176.300 0.038 0.000 1.257 175 D CA 0.218 54.284 54.000 0.110 0.000 1.027 175 D CB -0.366 40.602 40.800 0.281 0.000 1.084 175 D HN 0.118 nan 8.370 nan 0.000 0.514 176 V N 0.310 120.194 119.914 -0.050 0.000 2.732 176 V HA 0.324 4.450 4.120 0.009 0.000 0.297 176 V C 0.785 176.818 176.094 -0.102 0.000 1.060 176 V CA -1.016 61.226 62.300 -0.096 0.000 1.038 176 V CB 1.463 33.145 31.823 -0.235 0.000 1.003 176 V HN 0.177 nan 8.190 nan 0.000 0.481 177 V N 4.919 124.785 119.914 -0.080 0.000 2.924 177 V HA 0.311 4.437 4.120 0.009 0.000 0.305 177 V C 0.582 176.657 176.094 -0.032 0.000 1.073 177 V CA 0.336 62.582 62.300 -0.091 0.000 1.098 177 V CB 0.830 32.589 31.823 -0.107 0.000 1.000 177 V HN 0.940 nan 8.190 nan 0.000 0.484 178 L N 3.492 124.690 121.223 -0.042 0.000 2.624 178 L HA 0.427 4.773 4.340 0.009 0.000 0.222 178 L C 0.295 177.163 176.870 -0.003 0.000 1.046 178 L CA 0.116 54.957 54.840 0.001 0.000 0.872 178 L CB 0.349 42.405 42.059 -0.005 0.000 1.190 178 L HN 0.461 nan 8.230 nan 0.000 0.487 179 L N 0.888 122.096 121.223 -0.025 0.000 2.436 179 L HA 0.409 4.755 4.340 0.009 0.000 0.268 179 L C -0.702 176.130 176.870 -0.063 0.000 0.974 179 L CA -0.421 54.408 54.840 -0.019 0.000 0.826 179 L CB 2.624 44.683 42.059 -0.001 0.000 1.291 179 L HN 0.068 nan 8.230 nan 0.000 0.406 180 K N 1.002 121.379 120.400 -0.038 0.000 2.109 180 K HA 0.349 4.674 4.320 0.009 0.000 0.243 180 K C 1.028 177.558 176.600 -0.117 0.000 1.006 180 K CA -0.587 55.657 56.287 -0.072 0.000 0.917 180 K CB 1.276 33.758 32.500 -0.031 0.000 1.081 180 K HN 0.503 nan 8.250 nan 0.000 0.468 181 S N 1.434 117.049 115.700 -0.141 0.000 2.374 181 S HA -0.195 4.280 4.470 0.009 0.000 0.227 181 S C 1.304 175.834 174.600 -0.118 0.000 1.037 181 S CA 2.077 60.176 58.200 -0.169 0.000 1.024 181 S CB -0.453 62.678 63.200 -0.115 0.000 0.861 181 S HN 0.787 nan 8.310 nan 0.000 0.456 182 D N 1.079 121.423 120.400 -0.095 0.000 2.363 182 D HA 0.194 4.840 4.640 0.009 0.000 0.220 182 D C 1.009 177.325 176.300 0.026 0.000 0.994 182 D CA 0.576 54.527 54.000 -0.082 0.000 0.890 182 D CB -0.987 39.691 40.800 -0.203 0.000 0.906 182 D HN 0.412 nan 8.370 nan 0.000 0.530 183 G N 0.269 109.092 108.800 0.039 0.000 2.415 183 G HA2 -0.229 3.737 3.960 0.009 0.000 0.283 183 G HA3 -0.229 3.737 3.960 0.009 0.000 0.283 183 G C -1.041 174.052 174.900 0.322 0.000 1.014 183 G CA -0.204 44.965 45.100 0.116 0.000 1.323 183 G HN 0.271 nan 8.290 nan 0.000 0.502 184 Y N 1.374 121.664 120.300 -0.017 0.000 2.373 184 Y HA 0.513 5.070 4.550 0.012 0.000 0.336 184 Y C -1.831 174.021 175.900 -0.080 0.000 0.979 184 Y CA -2.764 55.323 58.100 -0.022 0.000 1.080 184 Y CB 2.445 40.893 38.460 -0.020 0.000 1.190 184 Y HN 0.230 nan 8.280 nan 0.000 0.446 185 P HA 0.064 nan 4.420 nan 0.000 0.268 185 P C -0.173 177.062 177.300 -0.108 0.000 1.208 185 P CA 0.009 62.970 63.100 -0.232 0.000 0.777 185 P CB 0.963 32.209 31.700 -0.756 0.000 0.875 186 T N -1.060 113.467 114.554 -0.045 0.000 2.881 186 T HA 0.116 4.471 4.350 0.009 0.000 0.278 186 T C 1.025 175.717 174.700 -0.015 0.000 0.982 186 T CA -0.397 61.740 62.100 0.062 0.000 0.989 186 T CB 0.235 69.219 68.868 0.192 0.000 1.058 186 T HN 0.378 nan 8.240 nan 0.000 0.529 187 Y N 1.159 121.411 120.300 -0.079 0.000 2.193 187 Y HA -0.277 4.278 4.550 0.008 0.000 0.285 187 Y C 2.320 178.026 175.900 -0.325 0.000 1.166 187 Y CA 2.102 60.047 58.100 -0.258 0.000 1.181 187 Y CB -0.860 37.427 38.460 -0.289 0.000 0.976 187 Y HN 0.892 nan 8.280 nan 0.000 0.520 188 H N -0.650 118.378 119.070 -0.070 0.000 2.353 188 H HA -0.180 4.381 4.556 0.009 0.000 0.300 188 H C 2.406 177.631 175.328 -0.171 0.000 1.090 188 H CA 1.850 57.880 56.048 -0.030 0.000 1.327 188 H CB -0.436 29.443 29.762 0.195 0.000 1.383 188 H HN 0.376 nan 8.280 nan 0.000 0.508 189 L N 0.120 121.321 121.223 -0.036 0.000 1.973 189 L HA -0.179 4.166 4.340 0.009 0.000 0.208 189 L C 2.575 179.325 176.870 -0.200 0.000 1.073 189 L CA 1.300 56.102 54.840 -0.063 0.000 0.746 189 L CB -0.677 41.358 42.059 -0.039 0.000 0.891 189 L HN 0.416 nan 8.230 nan 0.000 0.433 190 A N 0.722 123.310 122.820 -0.388 0.000 1.881 190 A HA -0.374 3.951 4.320 0.009 0.000 0.219 190 A C 2.027 179.398 177.584 -0.354 0.000 1.215 190 A CA 2.603 54.377 52.037 -0.438 0.000 0.648 190 A CB -1.537 17.108 19.000 -0.592 0.000 0.832 190 A HN 0.793 nan 8.150 nan 0.000 0.455 191 N N -0.168 118.154 118.700 -0.629 0.000 2.094 191 N HA -0.175 4.571 4.740 0.009 0.000 0.191 191 N C 1.619 176.901 175.510 -0.379 0.000 1.023 191 N CA 2.337 54.994 53.050 -0.656 0.000 0.857 191 N CB -0.323 37.376 38.487 -1.314 0.000 1.013 191 N HN 0.293 nan 8.380 nan 0.000 0.426 192 V N 0.843 120.540 119.914 -0.361 0.000 2.379 192 V HA -0.126 4.000 4.120 0.009 0.000 0.245 192 V C 2.621 178.546 176.094 -0.280 0.000 1.044 192 V CA 1.028 63.127 62.300 -0.335 0.000 1.036 192 V CB -0.256 31.317 31.823 -0.416 0.000 0.664 192 V HN 0.185 nan 8.190 nan 0.000 0.453 193 V N 0.208 119.968 119.914 -0.258 0.000 2.283 193 V HA -0.210 3.916 4.120 0.009 0.000 0.243 193 V C 2.314 178.241 176.094 -0.279 0.000 1.039 193 V CA 2.126 64.227 62.300 -0.331 0.000 1.016 193 V CB -0.663 31.006 31.823 -0.256 0.000 0.650 193 V HN 0.510 nan 8.190 nan 0.000 0.449 194 D N 0.217 120.521 120.400 -0.161 0.000 2.103 194 D HA -0.191 4.455 4.640 0.009 0.000 0.190 194 D C 1.963 178.166 176.300 -0.162 0.000 0.997 194 D CA 1.652 55.567 54.000 -0.142 0.000 0.833 194 D CB -0.525 40.222 40.800 -0.088 0.000 0.961 194 D HN 0.350 nan 8.370 nan 0.000 0.447 195 D N -0.512 119.807 120.400 -0.135 0.000 2.116 195 D HA -0.182 4.463 4.640 0.009 0.000 0.193 195 D C 1.936 178.152 176.300 -0.140 0.000 0.998 195 D CA 0.937 54.888 54.000 -0.083 0.000 0.836 195 D CB -0.463 40.343 40.800 0.010 0.000 0.951 195 D HN 0.392 nan 8.370 nan 0.000 0.449 196 H N 0.208 119.095 119.070 -0.305 0.000 2.253 196 H HA -0.133 4.428 4.556 0.009 0.000 0.296 196 H C 2.162 177.185 175.328 -0.509 0.000 1.074 196 H CA 1.134 56.850 56.048 -0.553 0.000 1.263 196 H CB -0.268 28.748 29.762 -1.244 0.000 1.363 196 H HN 0.024 nan 8.280 nan 0.000 0.489 197 L N 0.929 121.858 121.223 -0.490 0.000 1.989 197 L HA -0.211 4.134 4.340 0.009 0.000 0.211 197 L C 2.823 179.510 176.870 -0.304 0.000 1.071 197 L CA 1.671 56.278 54.840 -0.388 0.000 0.749 197 L CB -0.978 40.905 42.059 -0.295 0.000 0.890 197 L HN 0.390 nan 8.230 nan 0.000 0.431 198 M N -1.165 118.298 119.600 -0.229 0.000 2.686 198 M HA 0.103 4.589 4.480 0.009 0.000 0.246 198 M C 1.321 177.542 176.300 -0.132 0.000 1.096 198 M CA 0.811 56.029 55.300 -0.136 0.000 1.076 198 M CB -0.543 32.026 32.600 -0.051 0.000 1.504 198 M HN 0.435 nan 8.290 nan 0.000 0.524 199 G N 1.719 110.390 108.800 -0.216 0.000 2.179 199 G HA2 -0.231 3.734 3.960 0.009 0.000 0.257 199 G HA3 -0.231 3.734 3.960 0.009 0.000 0.257 199 G C 0.177 175.006 174.900 -0.119 0.000 1.010 199 G CA 0.311 45.292 45.100 -0.199 0.000 0.736 199 G HN 0.590 nan 8.290 nan 0.000 0.513 200 V N -0.369 119.490 119.914 -0.091 0.000 2.763 200 V HA 0.666 4.791 4.120 0.009 0.000 0.306 200 V C 1.285 177.344 176.094 -0.058 0.000 1.059 200 V CA 1.679 63.957 62.300 -0.037 0.000 1.138 200 V CB 1.318 33.139 31.823 -0.003 0.000 0.940 200 V HN 1.145 nan 8.190 nan 0.000 0.489 201 T N 0.339 114.884 114.554 -0.015 0.000 2.985 201 T HA 0.357 4.713 4.350 0.009 0.000 0.254 201 T C 0.019 174.718 174.700 -0.001 0.000 1.021 201 T CA 0.394 62.480 62.100 -0.023 0.000 0.957 201 T CB -0.213 68.664 68.868 0.015 0.000 1.047 201 T HN 0.766 nan 8.240 nan 0.000 0.511 202 D N 0.449 120.890 120.400 0.069 0.000 2.936 202 D HA 0.545 5.190 4.640 0.009 0.000 0.238 202 D C -1.530 174.823 176.300 0.088 0.000 1.248 202 D CA -0.453 53.641 54.000 0.155 0.000 0.903 202 D CB 2.591 43.661 40.800 0.451 0.000 1.544 202 D HN 0.013 nan 8.370 nan 0.000 0.543 203 V N 3.454 123.350 119.914 -0.031 0.000 2.328 203 V HA 0.427 4.553 4.120 0.009 0.000 0.278 203 V C -0.284 175.865 176.094 0.092 0.000 1.021 203 V CA -0.455 61.841 62.300 -0.007 0.000 0.838 203 V CB 0.702 32.459 31.823 -0.110 0.000 0.999 203 V HN 0.485 nan 8.190 nan 0.000 0.447 204 I N 7.521 128.164 120.570 0.122 0.000 2.390 204 I HA 0.618 4.793 4.170 0.009 0.000 0.283 204 I C 0.215 176.389 176.117 0.095 0.000 1.016 204 I CA -0.218 61.151 61.300 0.114 0.000 1.151 204 I CB 0.725 38.813 38.000 0.147 0.000 1.293 204 I HN 0.664 nan 8.210 nan 0.000 0.458 205 R N 5.248 125.782 120.500 0.056 0.000 2.846 205 R HA 0.802 5.148 4.340 0.009 0.000 0.263 205 R C -1.245 175.189 176.300 0.223 0.000 1.080 205 R CA -0.891 55.301 56.100 0.153 0.000 0.961 205 R CB 1.188 31.603 30.300 0.192 0.000 1.231 205 R HN 0.397 nan 8.270 nan 0.000 0.465 206 A N 1.033 124.065 122.820 0.353 0.000 2.520 206 A HA 0.058 4.384 4.320 0.009 0.000 0.245 206 A C 1.117 178.900 177.584 0.332 0.000 1.072 206 A CA 0.359 52.575 52.037 0.298 0.000 0.761 206 A CB 0.036 19.182 19.000 0.242 0.000 1.004 206 A HN 0.929 nan 8.150 nan 0.000 0.499 207 E N 1.623 121.958 120.200 0.226 0.000 2.208 207 E HA -0.307 4.049 4.350 0.009 0.000 0.202 207 E C 1.748 178.374 176.600 0.044 0.000 1.014 207 E CA 1.851 58.366 56.400 0.192 0.000 0.819 207 E CB -0.049 29.714 29.700 0.105 0.000 0.735 207 E HN 0.938 nan 8.360 nan 0.000 0.469 208 E N -0.568 119.567 120.200 -0.110 0.000 2.233 208 E HA -0.228 4.127 4.350 0.009 0.000 0.199 208 E C 1.378 177.635 176.600 -0.572 0.000 1.004 208 E CA 1.498 57.660 56.400 -0.396 0.000 0.819 208 E CB -0.492 28.850 29.700 -0.598 0.000 0.738 208 E HN 0.519 nan 8.360 nan 0.000 0.478 209 W N 0.308 121.644 121.300 0.061 0.000 2.863 209 W HA 0.117 4.781 4.660 0.007 0.000 0.258 209 W C 1.979 178.459 176.519 -0.064 0.000 1.298 209 W CA -0.512 56.882 57.345 0.082 0.000 1.451 209 W CB -0.070 29.547 29.460 0.262 0.000 1.107 209 W HN 0.117 nan 8.180 nan 0.000 0.641 210 L N 1.106 122.207 121.223 -0.202 0.000 2.011 210 L HA -0.307 4.039 4.340 0.009 0.000 0.225 210 L C 2.073 178.770 176.870 -0.289 0.000 1.084 210 L CA 2.258 56.710 54.840 -0.646 0.000 0.791 210 L CB -1.343 40.432 42.059 -0.474 0.000 0.898 210 L HN -0.002 nan 8.230 nan 0.000 0.440 211 V N -1.148 118.677 119.914 -0.148 0.000 2.392 211 V HA -0.258 3.867 4.120 0.009 0.000 0.249 211 V C 2.296 178.305 176.094 -0.142 0.000 1.059 211 V CA 1.979 64.228 62.300 -0.085 0.000 1.051 211 V CB -1.328 30.457 31.823 -0.063 0.000 0.658 211 V HN 0.566 nan 8.190 nan 0.000 0.455 212 S N -0.468 115.183 115.700 -0.083 0.000 2.603 212 S HA -0.049 4.426 4.470 0.009 0.000 0.220 212 S C 1.863 176.181 174.600 -0.470 0.000 0.967 212 S CA 0.903 59.030 58.200 -0.121 0.000 0.920 212 S CB -0.196 63.152 63.200 0.247 0.000 0.773 212 S HN 0.701 nan 8.310 nan 0.000 0.529 213 T N 3.484 117.812 114.554 -0.377 0.000 2.684 213 T HA -0.073 4.283 4.350 0.009 0.000 0.267 213 T C -0.624 173.827 174.700 -0.414 0.000 1.036 213 T CA 1.314 63.141 62.100 -0.456 0.000 1.148 213 T CB -1.569 67.012 68.868 -0.479 0.000 0.863 213 T HN 0.396 nan 8.240 nan 0.000 0.436 214 P HA -0.089 nan 4.420 nan 0.000 0.217 214 P C 1.382 178.546 177.300 -0.225 0.000 1.148 214 P CA 1.159 64.023 63.100 -0.393 0.000 0.834 214 P CB -0.259 30.951 31.700 -0.817 0.000 0.783 215 I N -0.895 119.520 120.570 -0.258 0.000 2.233 215 I HA -0.207 3.969 4.170 0.009 0.000 0.243 215 I C 2.779 178.911 176.117 0.024 0.000 1.093 215 I CA 1.256 62.474 61.300 -0.137 0.000 1.380 215 I CB -1.019 36.868 38.000 -0.189 0.000 1.067 215 I HN -0.036 nan 8.210 nan 0.000 0.413 216 H N 0.129 119.264 119.070 0.108 0.000 2.352 216 H HA -0.102 4.459 4.556 0.009 0.000 0.299 216 H C 2.535 178.035 175.328 0.287 0.000 1.097 216 H CA 1.416 57.578 56.048 0.190 0.000 1.311 216 H CB -0.877 29.041 29.762 0.261 0.000 1.377 216 H HN 0.158 nan 8.280 nan 0.000 0.504 217 V N 0.905 120.984 119.914 0.275 0.000 2.343 217 V HA -0.204 3.922 4.120 0.009 0.000 0.247 217 V C 2.638 178.863 176.094 0.218 0.000 1.051 217 V CA 1.178 63.655 62.300 0.296 0.000 1.036 217 V CB -0.612 31.288 31.823 0.128 0.000 0.654 217 V HN 0.164 nan 8.190 nan 0.000 0.451 218 L N -0.723 120.563 121.223 0.105 0.000 1.989 218 L HA -0.176 4.169 4.340 0.009 0.000 0.211 218 L C 2.247 179.052 176.870 -0.108 0.000 1.071 218 L CA 1.853 56.719 54.840 0.043 0.000 0.749 218 L CB -0.892 41.208 42.059 0.069 0.000 0.890 218 L HN 0.220 nan 8.230 nan 0.000 0.431 219 L N -2.367 118.821 121.223 -0.058 0.000 2.013 219 L HA -0.322 4.024 4.340 0.009 0.000 0.212 219 L C 2.516 179.293 176.870 -0.155 0.000 1.073 219 L CA 1.519 56.267 54.840 -0.154 0.000 0.753 219 L CB -0.723 41.330 42.059 -0.009 0.000 0.890 219 L HN 0.229 nan 8.230 nan 0.000 0.432 220 Y N 0.117 120.467 120.300 0.082 0.000 2.151 220 Y HA -0.297 4.259 4.550 0.009 0.000 0.284 220 Y C 2.858 178.704 175.900 -0.091 0.000 1.166 220 Y CA 1.519 59.709 58.100 0.151 0.000 1.163 220 Y CB -0.328 38.285 38.460 0.255 0.000 0.974 220 Y HN 0.085 nan 8.280 nan 0.000 0.511 221 R N -0.492 120.002 120.500 -0.010 0.000 2.066 221 R HA -0.104 4.242 4.340 0.009 0.000 0.232 221 R C 2.525 178.376 176.300 -0.749 0.000 1.131 221 R CA 1.086 57.056 56.100 -0.217 0.000 0.955 221 R CB -0.976 29.269 30.300 -0.092 0.000 0.851 221 R HN 0.346 nan 8.270 nan 0.000 0.432 222 A N 0.853 122.978 122.820 -1.158 0.000 1.986 222 A HA -0.158 4.168 4.320 0.009 0.000 0.220 222 A C 1.713 178.520 177.584 -1.296 0.000 1.171 222 A CA 1.431 52.249 52.037 -2.031 0.000 0.640 222 A CB -0.547 17.338 19.000 -1.859 0.000 0.811 222 A HN 0.270 nan 8.150 nan 0.000 0.451 223 F N -0.913 118.455 119.950 -0.970 0.000 2.749 223 F HA 0.356 4.888 4.527 0.009 0.000 0.300 223 F C 1.690 177.052 175.800 -0.730 0.000 1.103 223 F CA 0.412 57.758 58.000 -1.090 0.000 1.342 223 F CB -0.106 37.595 39.000 -2.166 0.000 1.098 223 F HN 0.308 nan 8.300 nan 0.000 0.586 224 G N 1.077 109.663 108.800 -0.356 0.000 2.351 224 G HA2 -0.269 3.696 3.960 0.009 0.000 0.297 224 G HA3 -0.269 3.696 3.960 0.009 0.000 0.297 224 G C -0.633 174.342 174.900 0.125 0.000 1.054 224 G CA 0.133 45.183 45.100 -0.084 0.000 1.123 224 G HN 0.436 nan 8.290 nan 0.000 0.512 225 W N -0.394 120.938 121.300 0.052 0.000 2.844 225 W HA 0.808 5.473 4.660 0.008 0.000 0.340 225 W C -0.183 176.463 176.519 0.211 0.000 1.093 225 W CA -3.130 54.261 57.345 0.078 0.000 1.212 225 W CB 0.937 30.247 29.460 -0.250 0.000 1.422 225 W HN 0.100 nan 8.180 nan 0.000 0.515 226 E N 1.785 122.226 120.200 0.403 0.000 2.415 226 E HA 0.281 4.637 4.350 0.009 0.000 0.263 226 E C 0.165 176.751 176.600 -0.023 0.000 0.995 226 E CA 0.369 56.878 56.400 0.181 0.000 0.915 226 E CB 1.172 30.925 29.700 0.088 0.000 0.951 226 E HN 0.607 nan 8.360 nan 0.000 0.449 227 A N 6.030 128.742 122.820 -0.181 0.000 2.388 227 A HA 0.362 4.687 4.320 0.009 0.000 0.257 227 A C -1.760 175.524 177.584 -0.501 0.000 1.095 227 A CA -1.042 50.623 52.037 -0.620 0.000 0.791 227 A CB 0.008 18.886 19.000 -0.203 0.000 1.029 227 A HN 0.377 nan 8.150 nan 0.000 0.489 228 P HA 0.292 nan 4.420 nan 0.000 0.307 228 P C -0.583 176.334 177.300 -0.640 0.000 1.306 228 P CA -0.473 62.294 63.100 -0.556 0.000 0.742 228 P CB 0.635 32.000 31.700 -0.558 0.000 1.349 229 R N -0.936 119.245 120.500 -0.532 0.000 2.474 229 R HA 0.506 4.852 4.340 0.009 0.000 0.295 229 R C -0.689 175.147 176.300 -0.773 0.000 0.980 229 R CA -0.457 55.320 56.100 -0.539 0.000 0.934 229 R CB 0.497 30.576 30.300 -0.369 0.000 1.101 229 R HN 0.361 nan 8.270 nan 0.000 0.469 230 F N 2.796 122.494 119.950 -0.420 0.000 2.411 230 F HA 0.332 4.864 4.527 0.009 0.000 0.352 230 F C -0.549 174.880 175.800 -0.618 0.000 1.123 230 F CA -0.592 57.204 58.000 -0.341 0.000 1.044 230 F CB 1.011 39.997 39.000 -0.022 0.000 1.135 230 F HN 0.372 nan 8.300 nan 0.000 0.461 231 Y N 2.667 122.801 120.300 -0.277 0.000 2.447 231 Y HA 0.322 4.877 4.550 0.009 0.000 0.325 231 Y C -0.167 175.519 175.900 -0.356 0.000 0.976 231 Y CA -0.853 57.002 58.100 -0.409 0.000 1.280 231 Y CB 0.555 38.599 38.460 -0.693 0.000 1.104 231 Y HN 0.474 nan 8.280 nan 0.000 0.486 232 H N 4.819 123.949 119.070 0.100 0.000 2.640 232 H HA 0.295 4.856 4.556 0.009 0.000 0.297 232 H C -0.131 175.255 175.328 0.097 0.000 1.073 232 H CA -0.423 55.700 56.048 0.125 0.000 1.305 232 H CB 0.959 30.791 29.762 0.117 0.000 1.404 232 H HN 0.542 nan 8.280 nan 0.000 0.459 233 M N 5.423 125.111 119.600 0.146 0.000 2.188 233 M HA 0.072 4.558 4.480 0.009 0.000 0.354 233 M C -1.229 175.169 176.300 0.163 0.000 1.342 233 M CA -1.948 53.413 55.300 0.101 0.000 1.117 233 M CB 0.852 33.420 32.600 -0.054 0.000 1.670 233 M HN 0.326 nan 8.290 nan 0.000 0.466 234 P HA -0.168 nan 4.420 nan 0.000 0.220 234 P C 0.256 177.653 177.300 0.163 0.000 1.142 234 P CA 0.742 63.933 63.100 0.151 0.000 0.801 234 P CB -0.031 31.748 31.700 0.132 0.000 0.764 235 L N -3.511 117.866 121.223 0.256 0.000 0.616 235 L HA -0.176 4.169 4.340 0.009 0.000 0.357 235 L C -1.116 175.795 176.870 0.068 0.000 1.004 235 L CA 0.006 54.957 54.840 0.186 0.000 1.223 235 L CB -0.988 41.133 42.059 0.104 0.000 0.132 235 L HN -0.217 nan 8.230 nan 0.000 0.117 236 L N 5.495 126.728 121.223 0.017 0.000 2.312 236 L HA 0.718 5.064 4.340 0.009 0.000 0.281 236 L C 0.736 177.603 176.870 -0.006 0.000 1.070 236 L CA 0.381 55.185 54.840 -0.060 0.000 0.805 236 L CB 1.332 43.296 42.059 -0.158 0.000 1.174 236 L HN 0.764 nan 8.230 nan 0.000 0.434 237 R N 1.933 122.438 120.500 0.010 0.000 3.076 237 R HA 0.598 4.943 4.340 0.009 0.000 0.239 237 R C -0.964 175.377 176.300 0.067 0.000 1.392 237 R CA -1.136 54.981 56.100 0.030 0.000 1.044 237 R CB 0.932 31.247 30.300 0.025 0.000 1.389 237 R HN 0.490 nan 8.270 nan 0.000 0.498 238 N N 0.398 119.132 118.700 0.057 0.000 2.457 238 N HA 0.430 5.176 4.740 0.009 0.000 0.290 238 N C -2.737 172.809 175.510 0.061 0.000 1.232 238 N CA -1.927 51.167 53.050 0.074 0.000 0.852 238 N CB 1.002 39.514 38.487 0.041 0.000 1.313 238 N HN 0.176 nan 8.380 nan 0.000 0.522 239 P HA 0.109 nan 4.420 nan 0.000 0.268 239 P C -0.792 176.526 177.300 0.030 0.000 1.205 239 P CA 0.429 63.556 63.100 0.045 0.000 0.771 239 P CB 0.259 31.986 31.700 0.046 0.000 0.858 240 D N 0.702 121.115 120.400 0.021 0.000 2.760 240 D HA -0.147 4.499 4.640 0.009 0.000 0.244 240 D C -0.212 176.096 176.300 0.015 0.000 1.123 240 D CA 0.832 54.840 54.000 0.014 0.000 0.719 240 D CB -0.844 39.963 40.800 0.013 0.000 1.045 240 D HN 0.498 nan 8.370 nan 0.000 0.426 241 K N 0.083 120.492 120.400 0.016 0.000 2.557 241 K HA -0.001 4.324 4.320 0.009 0.000 0.264 241 K C 0.636 177.243 176.600 0.011 0.000 1.014 241 K CA 1.523 57.820 56.287 0.016 0.000 1.024 241 K CB -0.146 32.362 32.500 0.013 0.000 0.800 241 K HN 0.567 nan 8.250 nan 0.000 0.485 242 T N -2.323 112.237 114.554 0.009 0.000 3.510 242 T HA -0.001 4.355 4.350 0.009 0.000 0.438 242 T C -0.816 173.886 174.700 0.003 0.000 1.204 242 T CA -1.078 61.023 62.100 0.002 0.000 1.043 242 T CB 0.356 69.223 68.868 -0.002 0.000 1.406 242 T HN 0.573 nan 8.240 nan 0.000 0.427 243 K N 3.731 124.129 120.400 -0.002 0.000 2.438 243 K HA -0.008 4.317 4.320 0.009 0.000 0.270 243 K C 1.229 177.830 176.600 0.002 0.000 1.095 243 K CA 0.042 56.328 56.287 -0.002 0.000 1.174 243 K CB -0.440 32.051 32.500 -0.015 0.000 0.830 243 K HN 0.750 nan 8.250 nan 0.000 0.487 244 I N 0.847 121.423 120.570 0.010 0.000 3.115 244 I HA -0.188 3.988 4.170 0.009 0.000 0.315 244 I C 0.538 176.663 176.117 0.014 0.000 1.211 244 I CA 0.461 61.765 61.300 0.007 0.000 1.453 244 I CB 0.058 38.052 38.000 -0.009 0.000 1.307 244 I HN 0.493 nan 8.210 nan 0.000 0.568 245 S N 3.317 119.010 115.700 -0.011 0.000 2.536 245 S HA 0.286 4.761 4.470 0.009 0.000 0.271 245 S C 0.427 174.992 174.600 -0.059 0.000 1.134 245 S CA -0.953 57.239 58.200 -0.013 0.000 0.897 245 S CB 1.945 65.132 63.200 -0.021 0.000 1.094 245 S HN 0.850 nan 8.310 nan 0.000 0.473 246 K N 1.440 121.815 120.400 -0.041 0.000 2.015 246 K HA -0.066 4.260 4.320 0.009 0.000 0.216 246 K C 0.324 176.835 176.600 -0.148 0.000 1.052 246 K CA 1.131 57.364 56.287 -0.091 0.000 0.937 246 K CB -0.118 32.358 32.500 -0.039 0.000 0.719 246 K HN 0.475 nan 8.250 nan 0.000 0.446 247 R N 1.671 122.111 120.500 -0.099 0.000 2.242 247 R HA 0.049 4.395 4.340 0.009 0.000 0.334 247 R C -0.428 175.807 176.300 -0.108 0.000 1.071 247 R CA 0.331 56.368 56.100 -0.104 0.000 0.922 247 R CB 0.445 30.708 30.300 -0.062 0.000 1.023 247 R HN 0.223 nan 8.270 nan 0.000 0.458 248 K N 1.317 121.626 120.400 -0.151 0.000 3.269 248 K HA -0.163 4.163 4.320 0.009 0.000 0.283 248 K C -1.540 174.976 176.600 -0.140 0.000 1.207 248 K CA 0.668 56.883 56.287 -0.121 0.000 0.821 248 K CB -0.976 31.484 32.500 -0.065 0.000 1.366 248 K HN 0.824 nan 8.250 nan 0.000 0.476 249 S N 0.021 115.569 115.700 -0.254 0.000 3.064 249 S HA -0.049 4.427 4.470 0.009 0.000 0.235 249 S C -1.427 172.901 174.600 -0.452 0.000 0.563 249 S CA -0.768 57.283 58.200 -0.248 0.000 1.045 249 S CB 0.028 63.171 63.200 -0.094 0.000 1.042 249 S HN 0.374 nan 8.310 nan 0.000 0.618 250 H N 3.582 122.496 119.070 -0.261 0.000 2.620 250 H HA 0.396 4.957 4.556 0.009 0.000 0.313 250 H C 1.366 176.550 175.328 -0.240 0.000 1.075 250 H CA 0.564 56.321 56.048 -0.485 0.000 1.397 250 H CB 1.376 30.445 29.762 -1.154 0.000 1.446 250 H HN 0.763 nan 8.280 nan 0.000 0.493 251 T N -0.887 113.562 114.554 -0.176 0.000 3.040 251 T HA 0.072 4.427 4.350 0.009 0.000 0.266 251 T C 0.768 175.321 174.700 -0.244 0.000 1.005 251 T CA -0.510 61.393 62.100 -0.329 0.000 0.906 251 T CB 0.284 68.858 68.868 -0.491 0.000 1.082 251 T HN 0.311 nan 8.240 nan 0.000 0.531 252 S N 0.990 116.676 115.700 -0.023 0.000 2.475 252 S HA 0.510 4.986 4.470 0.009 0.000 0.281 252 S C 1.111 175.877 174.600 0.276 0.000 1.198 252 S CA -0.825 57.423 58.200 0.080 0.000 1.063 252 S CB 0.347 63.596 63.200 0.083 0.000 0.972 252 S HN 0.426 nan 8.310 nan 0.000 0.486 253 L N 3.470 124.848 121.223 0.258 0.000 2.093 253 L HA -0.077 4.269 4.340 0.009 0.000 0.208 253 L C 1.699 178.696 176.870 0.212 0.000 1.085 253 L CA 1.127 56.178 54.840 0.353 0.000 0.755 253 L CB -0.385 41.823 42.059 0.249 0.000 0.904 253 L HN 0.623 nan 8.230 nan 0.000 0.435 254 D N -0.836 119.616 120.400 0.086 0.000 2.149 254 D HA -0.251 4.395 4.640 0.009 0.000 0.198 254 D C 1.658 177.957 176.300 -0.002 0.000 0.990 254 D CA 1.084 55.058 54.000 -0.044 0.000 0.839 254 D CB -0.313 40.463 40.800 -0.040 0.000 0.948 254 D HN 0.396 nan 8.370 nan 0.000 0.460 255 W N 0.870 122.103 121.300 -0.111 0.000 2.335 255 W HA -0.282 4.384 4.660 0.009 0.000 0.311 255 W C 2.032 178.424 176.519 -0.210 0.000 1.213 255 W CA 1.511 58.730 57.345 -0.210 0.000 1.274 255 W CB -0.652 28.599 29.460 -0.349 0.000 1.148 255 W HN -0.035 nan 8.180 nan 0.000 0.498 256 Y N 0.689 121.148 120.300 0.265 0.000 2.114 256 Y HA -0.320 4.235 4.550 0.009 0.000 0.282 256 Y C 2.582 178.592 175.900 0.184 0.000 1.165 256 Y CA 2.483 60.715 58.100 0.221 0.000 1.148 256 Y CB -1.248 37.374 38.460 0.270 0.000 0.972 256 Y HN 0.018 nan 8.280 nan 0.000 0.504 257 K N 0.170 120.591 120.400 0.034 0.000 2.283 257 K HA -0.067 4.259 4.320 0.009 0.000 0.202 257 K C 1.992 178.575 176.600 -0.028 0.000 1.048 257 K CA 1.070 57.218 56.287 -0.232 0.000 0.948 257 K CB -0.175 31.684 32.500 -1.068 0.000 0.742 257 K HN 0.239 nan 8.250 nan 0.000 0.458 258 A N 0.579 123.338 122.820 -0.102 0.000 1.984 258 A HA 0.042 4.367 4.320 0.009 0.000 0.214 258 A C 1.522 179.080 177.584 -0.043 0.000 1.173 258 A CA 0.550 52.532 52.037 -0.092 0.000 0.673 258 A CB -0.058 18.817 19.000 -0.208 0.000 0.830 258 A HN 0.228 nan 8.150 nan 0.000 0.453 259 E N -0.435 119.609 120.200 -0.260 0.000 2.511 259 E HA 0.161 4.517 4.350 0.009 0.000 0.196 259 E C 1.047 177.514 176.600 -0.222 0.000 1.066 259 E CA 0.488 56.691 56.400 -0.329 0.000 0.871 259 E CB -0.333 28.955 29.700 -0.687 0.000 0.863 259 E HN 0.750 nan 8.360 nan 0.000 0.520 260 G N 0.993 109.749 108.800 -0.072 0.000 2.149 260 G HA2 -0.283 3.682 3.960 0.009 0.000 0.235 260 G HA3 -0.283 3.682 3.960 0.009 0.000 0.235 260 G C -0.093 174.700 174.900 -0.178 0.000 1.018 260 G CA -0.217 44.701 45.100 -0.304 0.000 0.728 260 G HN 0.179 nan 8.290 nan 0.000 0.508 261 F N -0.537 119.474 119.950 0.102 0.000 2.429 261 F HA 0.591 5.123 4.527 0.009 0.000 0.348 261 F C 0.948 176.870 175.800 0.203 0.000 1.109 261 F CA -0.761 57.339 58.000 0.168 0.000 1.232 261 F CB 0.863 40.059 39.000 0.327 0.000 1.157 261 F HN -0.002 nan 8.300 nan 0.000 0.564 262 L N 6.516 127.849 121.223 0.184 0.000 2.371 262 L HA 0.275 4.620 4.340 0.009 0.000 0.272 262 L C -1.348 175.438 176.870 -0.141 0.000 1.124 262 L CA -2.011 52.852 54.840 0.038 0.000 0.816 262 L CB 0.524 42.539 42.059 -0.073 0.000 1.129 262 L HN 0.331 nan 8.230 nan 0.000 0.448 263 P HA -0.184 nan 4.420 nan 0.000 0.214 263 P C 1.032 177.982 177.300 -0.583 0.000 1.163 263 P CA 1.313 63.850 63.100 -0.938 0.000 0.889 263 P CB 0.337 31.259 31.700 -1.297 0.000 0.790 264 E N -0.047 119.865 120.200 -0.480 0.000 2.118 264 E HA -0.154 4.201 4.350 0.009 0.000 0.195 264 E C 2.174 178.363 176.600 -0.685 0.000 0.992 264 E CA 1.695 57.801 56.400 -0.491 0.000 0.804 264 E CB -1.024 28.469 29.700 -0.344 0.000 0.741 264 E HN 0.233 nan 8.360 nan 0.000 0.458 265 A N 0.873 123.213 122.820 -0.800 0.000 1.897 265 A HA -0.058 4.268 4.320 0.009 0.000 0.215 265 A C 2.140 179.545 177.584 -0.297 0.000 1.181 265 A CA 0.741 52.331 52.037 -0.745 0.000 0.620 265 A CB -0.557 18.071 19.000 -0.620 0.000 0.821 265 A HN 0.261 nan 8.150 nan 0.000 0.443 266 L N -0.609 120.493 121.223 -0.202 0.000 2.012 266 L HA -0.208 4.137 4.340 0.009 0.000 0.210 266 L C 2.752 179.557 176.870 -0.107 0.000 1.073 266 L CA 2.198 56.981 54.840 -0.094 0.000 0.748 266 L CB -0.475 41.537 42.059 -0.078 0.000 0.891 266 L HN 0.519 nan 8.230 nan 0.000 0.431 267 R N 0.141 120.500 120.500 -0.234 0.000 2.096 267 R HA -0.276 4.070 4.340 0.009 0.000 0.240 267 R C 2.049 178.179 176.300 -0.283 0.000 1.139 267 R CA 2.432 58.363 56.100 -0.282 0.000 0.952 267 R CB -0.405 29.673 30.300 -0.370 0.000 0.854 267 R HN 0.509 nan 8.270 nan 0.000 0.436 268 N N -1.226 117.322 118.700 -0.254 0.000 2.289 268 N HA -0.223 4.522 4.740 0.009 0.000 0.184 268 N C 1.574 177.075 175.510 -0.014 0.000 1.016 268 N CA 0.870 53.825 53.050 -0.158 0.000 0.872 268 N CB -0.024 38.427 38.487 -0.059 0.000 0.973 268 N HN 0.270 nan 8.380 nan 0.000 0.433 269 Y N 0.351 120.567 120.300 -0.139 0.000 2.314 269 Y HA 0.050 4.605 4.550 0.009 0.000 0.294 269 Y C 1.689 177.567 175.900 -0.038 0.000 1.119 269 Y CA 0.511 58.569 58.100 -0.071 0.000 1.179 269 Y CB -0.156 38.243 38.460 -0.100 0.000 1.025 269 Y HN 0.036 nan 8.280 nan 0.000 0.541 270 L N -0.397 120.794 121.223 -0.052 0.000 2.083 270 L HA -0.252 4.094 4.340 0.009 0.000 0.209 270 L C 2.531 179.399 176.870 -0.004 0.000 1.083 270 L CA 1.304 56.138 54.840 -0.011 0.000 0.752 270 L CB -1.602 40.491 42.059 0.057 0.000 0.899 270 L HN 0.372 nan 8.230 nan 0.000 0.433 271 C N -1.046 118.120 119.300 -0.223 0.000 2.413 271 C HA -0.186 4.279 4.460 0.009 0.000 0.277 271 C C 2.617 177.685 174.990 0.130 0.000 1.228 271 C CA 0.195 58.997 59.018 -0.360 0.000 1.731 271 C CB -1.059 26.198 27.740 -0.805 0.000 2.042 271 C HN 0.393 nan 8.230 nan 0.000 0.468 272 L N 0.220 121.494 121.223 0.084 0.000 2.450 272 L HA -0.014 4.331 4.340 0.009 0.000 0.224 272 L C 1.244 178.154 176.870 0.067 0.000 1.149 272 L CA 1.273 56.192 54.840 0.131 0.000 0.816 272 L CB -0.785 41.328 42.059 0.091 0.000 0.932 272 L HN 0.369 nan 8.230 nan 0.000 0.449 273 M N 0.707 120.321 119.600 0.023 0.000 2.350 273 M HA 0.190 4.675 4.480 0.009 0.000 0.338 273 M C 0.994 177.424 176.300 0.217 0.000 1.559 273 M CA 0.171 55.466 55.300 -0.008 0.000 1.217 273 M CB -1.187 31.309 32.600 -0.172 0.000 1.808 273 M HN 0.302 nan 8.290 nan 0.000 0.458 274 G N 4.895 113.790 108.800 0.158 0.000 2.329 274 G HA2 -0.182 3.784 3.960 0.009 0.000 0.204 274 G HA3 -0.182 3.784 3.960 0.009 0.000 0.204 274 G C -0.602 174.541 174.900 0.406 0.000 0.435 274 G CA -0.007 45.216 45.100 0.205 0.000 0.977 274 G HN 0.959 nan 8.290 nan 0.000 0.366 275 F N 1.695 121.754 119.950 0.181 0.000 2.650 275 F HA 0.364 4.897 4.527 0.009 0.000 0.270 275 F C -0.287 175.624 175.800 0.185 0.000 0.845 275 F CA -0.218 57.922 58.000 0.233 0.000 1.081 275 F CB -0.266 39.023 39.000 0.482 0.000 1.372 275 F HN 1.118 nan 8.300 nan 0.000 0.742 276 S N 7.167 122.534 115.700 -0.555 0.000 2.472 276 S HA 0.787 5.262 4.470 0.009 0.000 0.303 276 S C -0.388 173.817 174.600 -0.658 0.000 1.099 276 S CA -1.032 56.933 58.200 -0.392 0.000 1.077 276 S CB 2.223 65.322 63.200 -0.168 0.000 1.031 276 S HN 0.601 nan 8.310 nan 0.000 0.487 277 M N 3.484 122.917 119.600 -0.278 0.000 2.200 277 M HA 0.256 4.742 4.480 0.009 0.000 0.355 277 M C -1.358 174.889 176.300 -0.089 0.000 1.283 277 M CA -2.352 52.880 55.300 -0.114 0.000 1.124 277 M CB 0.386 33.051 32.600 0.109 0.000 1.625 277 M HN 0.484 nan 8.290 nan 0.000 0.463 278 P HA -0.227 nan 4.420 nan 0.000 0.217 278 P C 0.275 177.567 177.300 -0.014 0.000 1.162 278 P CA 1.855 64.928 63.100 -0.044 0.000 0.901 278 P CB -0.361 31.331 31.700 -0.013 0.000 0.793 279 D N -2.033 118.375 120.400 0.013 0.000 2.323 279 D HA 0.207 4.852 4.640 0.009 0.000 0.239 279 D C 1.294 177.615 176.300 0.035 0.000 1.129 279 D CA 0.381 54.397 54.000 0.027 0.000 0.865 279 D CB -1.179 39.646 40.800 0.041 0.000 0.913 279 D HN 0.275 nan 8.370 nan 0.000 0.517 280 G N 0.526 109.342 108.800 0.027 0.000 2.200 280 G HA2 -0.431 3.535 3.960 0.009 0.000 0.268 280 G HA3 -0.431 3.535 3.960 0.009 0.000 0.268 280 G C 0.424 175.369 174.900 0.074 0.000 0.986 280 G CA 0.119 45.242 45.100 0.038 0.000 0.677 280 G HN 0.510 nan 8.290 nan 0.000 0.532 281 R N 0.427 120.983 120.500 0.094 0.000 2.442 281 R HA 0.296 4.641 4.340 0.009 0.000 0.291 281 R C 0.865 177.270 176.300 0.175 0.000 1.069 281 R CA 0.340 56.518 56.100 0.131 0.000 1.022 281 R CB 0.157 30.540 30.300 0.139 0.000 0.976 281 R HN 0.554 nan 8.270 nan 0.000 0.443 282 E N 3.631 123.954 120.200 0.206 0.000 2.548 282 E HA 0.199 4.555 4.350 0.009 0.000 0.206 282 E C -0.262 176.491 176.600 0.256 0.000 1.005 282 E CA 0.046 56.601 56.400 0.260 0.000 0.951 282 E CB 0.698 30.605 29.700 0.346 0.000 1.035 282 E HN 0.358 nan 8.360 nan 0.000 0.470 283 I N 1.077 121.773 120.570 0.209 0.000 2.534 283 I HA 0.368 4.544 4.170 0.009 0.000 0.288 283 I C -1.022 175.245 176.117 0.250 0.000 1.077 283 I CA -0.948 60.467 61.300 0.191 0.000 1.051 283 I CB 1.507 39.537 38.000 0.049 0.000 1.234 283 I HN -0.006 nan 8.210 nan 0.000 0.425 284 F N 4.487 124.506 119.950 0.114 0.000 2.351 284 F HA -0.121 4.412 4.527 0.010 0.000 0.491 284 F C 0.251 176.126 175.800 0.126 0.000 1.181 284 F CA -0.413 57.654 58.000 0.111 0.000 1.570 284 F CB -0.688 38.357 39.000 0.074 0.000 2.355 284 F HN 0.664 nan 8.300 nan 0.000 0.757 285 T N 3.354 117.487 114.554 -0.702 0.000 2.895 285 T HA 0.377 4.732 4.350 0.009 0.000 0.386 285 T C 1.802 175.922 174.700 -0.968 0.000 1.112 285 T CA -0.004 61.662 62.100 -0.725 0.000 1.070 285 T CB 0.249 68.801 68.868 -0.525 0.000 1.319 285 T HN 0.745 nan 8.240 nan 0.000 0.519 286 L N 0.116 121.032 121.223 -0.512 0.000 3.637 286 L HA -0.401 3.944 4.340 0.009 0.000 0.119 286 L C 2.794 179.665 176.870 0.001 0.000 3.802 286 L CA 2.164 56.884 54.840 -0.201 0.000 1.267 286 L CB -0.982 40.958 42.059 -0.199 0.000 3.122 286 L HN 0.761 nan 8.230 nan 0.000 0.622 287 E N -0.323 119.920 120.200 0.072 0.000 2.196 287 E HA -0.312 4.044 4.350 0.009 0.000 0.222 287 E C 1.838 178.604 176.600 0.276 0.000 1.072 287 E CA 2.508 59.047 56.400 0.233 0.000 0.902 287 E CB -0.463 29.456 29.700 0.365 0.000 0.780 287 E HN 0.636 nan 8.360 nan 0.000 0.467 288 E N -0.819 119.661 120.200 0.467 0.000 2.285 288 E HA -0.086 4.269 4.350 0.009 0.000 0.194 288 E C 1.797 178.582 176.600 0.307 0.000 0.997 288 E CA 0.270 56.914 56.400 0.407 0.000 0.845 288 E CB -0.109 29.975 29.700 0.640 0.000 0.782 288 E HN 0.212 nan 8.360 nan 0.000 0.491 289 F N 1.879 121.881 119.950 0.087 0.000 2.123 289 F HA 0.037 4.570 4.527 0.009 0.000 0.289 289 F C 1.664 177.462 175.800 -0.003 0.000 1.099 289 F CA 0.439 58.446 58.000 0.012 0.000 1.234 289 F CB -0.081 38.822 39.000 -0.162 0.000 1.034 289 F HN -0.151 nan 8.300 nan 0.000 0.479 290 I N 0.541 120.983 120.570 -0.214 0.000 2.848 290 I HA 0.103 4.279 4.170 0.009 0.000 0.274 290 I C -0.045 175.987 176.117 -0.141 0.000 1.049 290 I CA 0.669 61.771 61.300 -0.329 0.000 2.038 290 I CB -0.570 37.296 38.000 -0.224 0.000 1.403 290 I HN 0.575 nan 8.210 nan 0.000 0.847 291 Q N 1.250 121.007 119.800 -0.073 0.000 1.773 291 Q HA 0.209 4.554 4.340 0.009 0.000 0.185 291 Q C 1.800 177.829 176.000 0.048 0.000 0.660 291 Q CA 0.574 56.377 55.803 0.001 0.000 0.761 291 Q CB 0.181 28.938 28.738 0.032 0.000 1.213 291 Q HN 0.660 nan 8.270 nan 0.000 0.399 292 A N 0.611 123.485 122.820 0.089 0.000 2.021 292 A HA 0.076 4.402 4.320 0.009 0.000 0.216 292 A C 0.523 178.212 177.584 0.175 0.000 1.163 292 A CA -0.041 52.099 52.037 0.172 0.000 0.676 292 A CB -0.301 18.897 19.000 0.330 0.000 0.818 292 A HN 0.307 nan 8.150 nan 0.000 0.453 293 F N 1.975 121.855 119.950 -0.117 0.000 2.460 293 F HA 0.157 4.690 4.527 0.009 0.000 0.413 293 F C 0.110 175.870 175.800 -0.067 0.000 0.967 293 F CA 1.304 59.136 58.000 -0.281 0.000 1.122 293 F CB -0.028 38.593 39.000 -0.633 0.000 0.927 293 F HN 0.006 nan 8.300 nan 0.000 0.527 294 T N 5.773 119.855 114.554 -0.787 0.000 3.193 294 T HA 0.044 4.400 4.350 0.009 0.000 0.332 294 T C 0.181 174.492 174.700 -0.649 0.000 1.208 294 T CA -0.627 61.158 62.100 -0.525 0.000 1.080 294 T CB 0.515 69.324 68.868 -0.098 0.000 1.180 294 T HN 0.646 nan 8.240 nan 0.000 0.469 295 W N 1.295 122.378 121.300 -0.362 0.000 2.359 295 W HA -0.096 4.569 4.660 0.009 0.000 0.275 295 W C 2.259 178.705 176.519 -0.121 0.000 1.217 295 W CA 0.829 58.017 57.345 -0.262 0.000 1.196 295 W CB 0.155 29.499 29.460 -0.193 0.000 1.129 295 W HN 0.840 nan 8.180 nan 0.000 0.566 296 E N 1.154 121.395 120.200 0.070 0.000 2.097 296 E HA -0.235 4.120 4.350 0.009 0.000 0.196 296 E C 1.348 177.956 176.600 0.013 0.000 1.000 296 E CA 1.285 57.715 56.400 0.050 0.000 0.804 296 E CB -0.118 29.599 29.700 0.028 0.000 0.740 296 E HN 0.299 nan 8.360 nan 0.000 0.454 297 R N 0.451 120.921 120.500 -0.050 0.000 2.568 297 R HA 0.192 4.538 4.340 0.009 0.000 0.288 297 R C -0.635 175.666 176.300 0.001 0.000 1.077 297 R CA -0.275 55.764 56.100 -0.101 0.000 1.102 297 R CB 0.909 31.015 30.300 -0.324 0.000 1.278 297 R HN -0.041 nan 8.270 nan 0.000 0.560 298 V N 1.562 121.547 119.914 0.118 0.000 2.394 298 V HA 0.132 4.257 4.120 0.009 0.000 0.282 298 V C 0.684 176.868 176.094 0.149 0.000 1.031 298 V CA -0.754 61.672 62.300 0.210 0.000 0.881 298 V CB 1.566 33.556 31.823 0.278 0.000 0.982 298 V HN 0.329 nan 8.190 nan 0.000 0.451 299 S N 5.369 121.147 115.700 0.130 0.000 2.603 299 S HA 0.508 4.984 4.470 0.009 0.000 0.268 299 S C 0.032 174.691 174.600 0.099 0.000 1.317 299 S CA -0.398 57.858 58.200 0.094 0.000 1.012 299 S CB 0.715 63.964 63.200 0.083 0.000 0.926 299 S HN 0.565 nan 8.310 nan 0.000 0.539 300 L N 2.373 123.643 121.223 0.078 0.000 3.202 300 L HA 0.392 4.738 4.340 0.009 0.000 0.278 300 L C 1.567 178.472 176.870 0.059 0.000 1.268 300 L CA -0.228 54.657 54.840 0.075 0.000 1.034 300 L CB 0.228 42.328 42.059 0.068 0.000 1.407 300 L HN 0.949 nan 8.230 nan 0.000 0.581 301 G N -0.719 108.113 108.800 0.053 0.000 3.284 301 G HA2 0.340 4.305 3.960 0.009 0.000 0.236 301 G HA3 0.340 4.305 3.960 0.009 0.000 0.236 301 G C 0.981 175.902 174.900 0.035 0.000 1.158 301 G CA 0.202 45.325 45.100 0.038 0.000 0.774 301 G HN 0.374 nan 8.290 nan 0.000 0.545 302 G N 1.533 110.361 108.800 0.045 0.000 2.438 302 G HA2 -0.175 3.791 3.960 0.009 0.000 0.272 302 G HA3 -0.175 3.791 3.960 0.009 0.000 0.272 302 G C -1.871 173.039 174.900 0.016 0.000 0.991 302 G CA -0.293 44.828 45.100 0.035 0.000 1.348 302 G HN 0.387 nan 8.290 nan 0.000 0.483 303 P HA 0.268 nan 4.420 nan 0.000 0.265 303 P C 0.486 177.774 177.300 -0.020 0.000 1.193 303 P CA 0.101 63.188 63.100 -0.022 0.000 0.765 303 P CB 1.719 33.385 31.700 -0.057 0.000 0.823 304 V N 5.644 125.556 119.914 -0.002 0.000 2.406 304 V HA 0.248 4.374 4.120 0.009 0.000 0.272 304 V C -0.713 175.415 176.094 0.056 0.000 1.043 304 V CA -0.695 61.629 62.300 0.039 0.000 0.915 304 V CB -0.422 31.425 31.823 0.040 0.000 0.988 304 V HN 0.346 nan 8.190 nan 0.000 0.466 305 F N 6.605 126.544 119.950 -0.019 0.000 2.451 305 F HA 0.440 4.974 4.527 0.011 0.000 0.356 305 F C 0.191 176.076 175.800 0.141 0.000 1.178 305 F CA -0.419 57.606 58.000 0.042 0.000 1.210 305 F CB 0.225 39.217 39.000 -0.013 0.000 1.504 305 F HN 0.618 nan 8.300 nan 0.000 0.598 306 D N 4.902 125.336 120.400 0.057 0.000 2.329 306 D HA 0.088 4.733 4.640 0.009 0.000 0.232 306 D C 0.781 177.030 176.300 -0.085 0.000 1.088 306 D CA -0.278 53.755 54.000 0.056 0.000 0.835 306 D CB 1.558 42.403 40.800 0.075 0.000 1.078 306 D HN 0.570 nan 8.370 nan 0.000 0.495 307 L N 4.138 125.363 121.223 0.005 0.000 2.156 307 L HA 0.032 4.378 4.340 0.009 0.000 0.208 307 L C 1.646 178.561 176.870 0.075 0.000 1.095 307 L CA 1.620 56.490 54.840 0.051 0.000 0.770 307 L CB -0.154 42.051 42.059 0.243 0.000 0.914 307 L HN 0.452 nan 8.230 nan 0.000 0.439 308 E N -0.560 119.684 120.200 0.073 0.000 2.106 308 E HA -0.200 4.156 4.350 0.009 0.000 0.192 308 E C 1.904 178.543 176.600 0.066 0.000 0.984 308 E CA 0.709 57.163 56.400 0.090 0.000 0.806 308 E CB -0.013 29.726 29.700 0.065 0.000 0.750 308 E HN 0.327 nan 8.360 nan 0.000 0.458 309 K N 0.938 121.316 120.400 -0.037 0.000 2.103 309 K HA -0.057 4.268 4.320 0.009 0.000 0.204 309 K C 2.140 178.646 176.600 -0.156 0.000 1.052 309 K CA 0.379 56.622 56.287 -0.073 0.000 0.945 309 K CB -0.233 32.203 32.500 -0.107 0.000 0.722 309 K HN 0.201 nan 8.250 nan 0.000 0.443 310 L N 1.002 121.926 121.223 -0.498 0.000 2.027 310 L HA -0.195 4.150 4.340 0.009 0.000 0.206 310 L C 2.278 179.189 176.870 0.068 0.000 1.074 310 L CA 1.469 55.997 54.840 -0.519 0.000 0.745 310 L CB -0.156 41.587 42.059 -0.527 0.000 0.898 310 L HN 0.188 nan 8.230 nan 0.000 0.433 311 R N -1.187 119.460 120.500 0.246 0.000 2.115 311 R HA -0.224 4.121 4.340 0.009 0.000 0.230 311 R C 1.973 178.357 176.300 0.140 0.000 1.111 311 R CA 1.642 57.897 56.100 0.258 0.000 0.976 311 R CB -0.775 29.669 30.300 0.241 0.000 0.870 311 R HN 0.550 nan 8.270 nan 0.000 0.445 312 W N 2.153 123.437 121.300 -0.027 0.000 2.358 312 W HA -0.172 4.493 4.660 0.009 0.000 0.303 312 W C 2.120 178.626 176.519 -0.021 0.000 1.208 312 W CA 1.338 58.664 57.345 -0.031 0.000 1.274 312 W CB -0.129 29.311 29.460 -0.034 0.000 1.138 312 W HN 0.004 nan 8.180 nan 0.000 0.515 313 M N 0.982 120.485 119.600 -0.162 0.000 2.132 313 M HA -0.194 4.292 4.480 0.009 0.000 0.263 313 M C 2.139 178.308 176.300 -0.218 0.000 1.065 313 M CA 2.349 57.375 55.300 -0.457 0.000 1.122 313 M CB -0.926 31.606 32.600 -0.113 0.000 1.365 313 M HN 0.179 nan 8.290 nan 0.000 0.411 314 N N -0.012 118.627 118.700 -0.102 0.000 2.166 314 N HA -0.121 4.624 4.740 0.009 0.000 0.186 314 N C 1.699 177.139 175.510 -0.117 0.000 1.019 314 N CA 1.624 54.630 53.050 -0.073 0.000 0.856 314 N CB -0.205 38.247 38.487 -0.058 0.000 0.993 314 N HN 0.566 nan 8.380 nan 0.000 0.426 315 G N 0.790 109.482 108.800 -0.180 0.000 2.421 315 G HA2 -0.148 3.817 3.960 0.009 0.000 0.217 315 G HA3 -0.148 3.817 3.960 0.009 0.000 0.217 315 G C 1.702 176.447 174.900 -0.259 0.000 1.143 315 G CA 0.332 45.296 45.100 -0.228 0.000 0.784 315 G HN 0.308 nan 8.290 nan 0.000 0.541 316 K N -0.755 119.447 120.400 -0.331 0.000 2.103 316 K HA -0.012 4.313 4.320 0.009 0.000 0.204 316 K C 2.102 178.563 176.600 -0.232 0.000 1.052 316 K CA 0.714 56.788 56.287 -0.354 0.000 0.945 316 K CB -0.216 31.955 32.500 -0.548 0.000 0.722 316 K HN 0.362 nan 8.250 nan 0.000 0.443 317 Y N 1.148 121.294 120.300 -0.256 0.000 2.293 317 Y HA -0.125 4.431 4.550 0.010 0.000 0.291 317 Y C 1.975 177.778 175.900 -0.161 0.000 1.137 317 Y CA 1.017 59.015 58.100 -0.171 0.000 1.202 317 Y CB -0.014 38.364 38.460 -0.136 0.000 0.990 317 Y HN 0.009 nan 8.280 nan 0.000 0.537 318 I N -0.763 119.767 120.570 -0.067 0.000 2.286 318 I HA -0.262 3.913 4.170 0.009 0.000 0.245 318 I C 1.885 177.889 176.117 -0.188 0.000 1.104 318 I CA 1.528 62.739 61.300 -0.148 0.000 1.397 318 I CB -0.271 37.558 38.000 -0.285 0.000 1.072 318 I HN 0.117 nan 8.210 nan 0.000 0.417 319 R N 0.112 120.486 120.500 -0.209 0.000 2.308 319 R HA 0.101 4.447 4.340 0.009 0.000 0.202 319 R C 0.649 176.852 176.300 -0.162 0.000 0.898 319 R CA 0.278 56.265 56.100 -0.188 0.000 1.046 319 R CB 0.476 30.657 30.300 -0.198 0.000 1.026 319 R HN 0.324 nan 8.270 nan 0.000 0.512 320 E N -0.682 119.407 120.200 -0.185 0.000 2.846 320 E HA 0.114 4.470 4.350 0.009 0.000 0.211 320 E C 0.058 176.535 176.600 -0.207 0.000 0.975 320 E CA -0.096 56.198 56.400 -0.177 0.000 1.211 320 E CB 1.481 31.071 29.700 -0.183 0.000 1.052 320 E HN -0.045 nan 8.360 nan 0.000 0.487 321 V N -0.287 119.493 119.914 -0.223 0.000 4.454 321 V HA 0.117 4.242 4.120 0.009 0.000 0.159 321 V C 0.498 176.507 176.094 -0.142 0.000 1.262 321 V CA -0.243 61.909 62.300 -0.247 0.000 1.223 321 V CB 0.184 31.704 31.823 -0.505 0.000 1.452 321 V HN 0.127 nan 8.190 nan 0.000 0.595 322 L N 2.784 123.945 121.223 -0.103 0.000 2.483 322 L HA 0.270 4.615 4.340 0.009 0.000 0.276 322 L C 0.544 177.378 176.870 -0.061 0.000 1.213 322 L CA 0.535 55.347 54.840 -0.045 0.000 0.843 322 L CB 0.489 42.545 42.059 -0.004 0.000 1.107 322 L HN 0.573 nan 8.230 nan 0.000 0.487 323 S N 1.661 117.333 115.700 -0.046 0.000 2.585 323 S HA 0.194 4.670 4.470 0.009 0.000 0.277 323 S C 0.754 175.327 174.600 -0.045 0.000 1.241 323 S CA -0.878 57.294 58.200 -0.047 0.000 1.041 323 S CB 1.727 64.905 63.200 -0.037 0.000 0.987 323 S HN 0.551 nan 8.310 nan 0.000 0.512 324 L N 1.249 122.443 121.223 -0.047 0.000 2.211 324 L HA -0.157 4.189 4.340 0.009 0.000 0.216 324 L C 1.837 178.675 176.870 -0.052 0.000 1.092 324 L CA 2.036 56.847 54.840 -0.049 0.000 0.767 324 L CB -1.009 41.027 42.059 -0.038 0.000 0.894 324 L HN 0.851 nan 8.230 nan 0.000 0.437 325 E N -1.448 118.728 120.200 -0.041 0.000 2.190 325 E HA -0.108 4.247 4.350 0.009 0.000 0.191 325 E C 2.005 178.581 176.600 -0.040 0.000 0.978 325 E CA 0.769 57.147 56.400 -0.037 0.000 0.839 325 E CB -0.222 29.466 29.700 -0.019 0.000 0.787 325 E HN 0.428 nan 8.360 nan 0.000 0.473 326 E N 0.921 121.101 120.200 -0.033 0.000 2.047 326 E HA -0.094 4.262 4.350 0.009 0.000 0.191 326 E C 1.916 178.493 176.600 -0.038 0.000 0.987 326 E CA 0.877 57.262 56.400 -0.024 0.000 0.799 326 E CB -0.296 29.397 29.700 -0.011 0.000 0.752 326 E HN 0.078 nan 8.360 nan 0.000 0.449 327 V N 1.183 121.066 119.914 -0.051 0.000 2.255 327 V HA -0.288 3.837 4.120 0.009 0.000 0.247 327 V C 2.409 178.422 176.094 -0.135 0.000 1.051 327 V CA 2.058 64.318 62.300 -0.067 0.000 1.018 327 V CB -1.121 30.669 31.823 -0.055 0.000 0.641 327 V HN 0.465 nan 8.190 nan 0.000 0.445 328 A N -0.859 121.864 122.820 -0.162 0.000 2.139 328 A HA -0.268 4.058 4.320 0.009 0.000 0.221 328 A C 2.110 179.556 177.584 -0.230 0.000 1.159 328 A CA 2.192 54.083 52.037 -0.243 0.000 0.662 328 A CB -0.414 18.470 19.000 -0.193 0.000 0.796 328 A HN 0.596 nan 8.150 nan 0.000 0.463 329 E N -0.570 119.550 120.200 -0.133 0.000 2.251 329 E HA 0.085 4.441 4.350 0.009 0.000 0.194 329 E C 2.100 178.668 176.600 -0.053 0.000 0.964 329 E CA 0.484 56.835 56.400 -0.082 0.000 0.868 329 E CB -0.015 29.667 29.700 -0.029 0.000 0.828 329 E HN 0.575 nan 8.360 nan 0.000 0.481 330 R N -0.445 120.031 120.500 -0.039 0.000 2.236 330 R HA 0.075 4.420 4.340 0.009 0.000 0.208 330 R C 1.746 178.092 176.300 0.076 0.000 1.036 330 R CA 0.498 56.621 56.100 0.039 0.000 1.001 330 R CB 0.136 30.470 30.300 0.056 0.000 0.896 330 R HN 0.054 nan 8.270 nan 0.000 0.464 331 V N 1.241 121.102 119.914 -0.088 0.000 3.306 331 V HA -0.105 4.020 4.120 0.009 0.000 0.264 331 V C 1.805 177.859 176.094 -0.068 0.000 1.149 331 V CA 1.138 63.359 62.300 -0.132 0.000 1.143 331 V CB -0.151 31.352 31.823 -0.534 0.000 0.767 331 V HN 0.221 nan 8.190 nan 0.000 0.476 332 K N 0.715 121.034 120.400 -0.135 0.000 2.020 332 K HA -0.187 4.139 4.320 0.009 0.000 0.212 332 K C -0.083 176.537 176.600 0.034 0.000 1.050 332 K CA 1.953 58.167 56.287 -0.121 0.000 0.929 332 K CB -1.819 30.663 32.500 -0.030 0.000 0.714 332 K HN 0.426 nan 8.250 nan 0.000 0.443 333 P HA -0.148 nan 4.420 nan 0.000 0.216 333 P C 1.228 178.389 177.300 -0.231 0.000 1.153 333 P CA 1.377 64.381 63.100 -0.161 0.000 0.858 333 P CB -0.125 31.397 31.700 -0.297 0.000 0.789 334 F N -1.617 118.299 119.950 -0.056 0.000 2.259 334 F HA -0.058 4.474 4.527 0.009 0.000 0.298 334 F C 2.244 178.010 175.800 -0.057 0.000 1.088 334 F CA 0.814 58.776 58.000 -0.064 0.000 1.358 334 F CB -1.287 37.663 39.000 -0.083 0.000 1.040 334 F HN -0.176 nan 8.300 nan 0.000 0.505 335 L N -0.251 121.034 121.223 0.104 0.000 1.976 335 L HA -0.191 4.154 4.340 0.009 0.000 0.209 335 L C 2.747 179.659 176.870 0.070 0.000 1.071 335 L CA 1.158 56.021 54.840 0.039 0.000 0.746 335 L CB -0.597 41.451 42.059 -0.017 0.000 0.890 335 L HN -0.000 nan 8.230 nan 0.000 0.432 336 R N 0.168 120.732 120.500 0.106 0.000 2.143 336 R HA -0.283 4.062 4.340 0.009 0.000 0.239 336 R C 2.019 178.321 176.300 0.003 0.000 1.126 336 R CA 1.907 58.038 56.100 0.051 0.000 0.927 336 R CB -1.144 29.171 30.300 0.025 0.000 0.860 336 R HN 0.457 nan 8.270 nan 0.000 0.433 337 E N 0.323 120.508 120.200 -0.025 0.000 2.273 337 E HA -0.146 4.210 4.350 0.009 0.000 0.198 337 E C 1.147 177.742 176.600 -0.009 0.000 1.002 337 E CA 1.203 57.577 56.400 -0.044 0.000 0.828 337 E CB 0.083 29.724 29.700 -0.099 0.000 0.747 337 E HN 0.405 nan 8.360 nan 0.000 0.491 338 A N -0.637 122.190 122.820 0.012 0.000 2.390 338 A HA 0.359 4.684 4.320 0.009 0.000 0.232 338 A C 1.254 178.847 177.584 0.015 0.000 1.233 338 A CA 0.691 52.737 52.037 0.015 0.000 0.907 338 A CB 0.326 19.336 19.000 0.017 0.000 0.967 338 A HN 0.247 nan 8.150 nan 0.000 0.512 339 G N -0.344 108.463 108.800 0.012 0.000 2.225 339 G HA2 -0.197 3.768 3.960 0.009 0.000 0.264 339 G HA3 -0.197 3.768 3.960 0.009 0.000 0.264 339 G C -0.038 174.878 174.900 0.026 0.000 1.060 339 G CA 0.592 45.699 45.100 0.011 0.000 0.833 339 G HN 0.454 nan 8.290 nan 0.000 0.498 340 L N -0.497 120.747 121.223 0.036 0.000 2.299 340 L HA 0.932 5.277 4.340 0.009 0.000 0.268 340 L C 0.756 177.675 176.870 0.082 0.000 1.012 340 L CA -0.398 54.479 54.840 0.063 0.000 0.816 340 L CB 2.090 44.160 42.059 0.019 0.000 1.355 340 L HN 0.661 nan 8.230 nan 0.000 0.457 341 S N -1.483 114.307 115.700 0.151 0.000 2.611 341 S HA 0.514 4.990 4.470 0.009 0.000 0.270 341 S C -2.096 172.729 174.600 0.375 0.000 1.131 341 S CA -1.074 57.166 58.200 0.068 0.000 0.826 341 S CB 0.875 63.963 63.200 -0.187 0.000 1.095 341 S HN 0.656 nan 8.310 nan 0.000 0.461 342 W N 0.658 122.013 121.300 0.092 0.000 2.819 342 W HA 0.734 5.400 4.660 0.009 0.000 0.337 342 W C 0.630 177.155 176.519 0.010 0.000 1.077 342 W CA -0.636 56.808 57.345 0.166 0.000 1.226 342 W CB 1.031 30.672 29.460 0.302 0.000 1.419 342 W HN 0.917 nan 8.180 nan 0.000 0.502 343 E N 1.223 121.413 120.200 -0.017 0.000 2.511 343 E HA 0.091 4.447 4.350 0.009 0.000 0.196 343 E C 0.116 176.724 176.600 0.014 0.000 1.066 343 E CA 0.820 57.170 56.400 -0.084 0.000 0.871 343 E CB 0.142 29.746 29.700 -0.161 0.000 0.863 343 E HN 0.452 nan 8.360 nan 0.000 0.520 344 S N -0.860 114.947 115.700 0.178 0.000 2.586 344 S HA 0.121 4.597 4.470 0.009 0.000 0.277 344 S C 0.142 175.020 174.600 0.464 0.000 1.131 344 S CA -0.877 57.468 58.200 0.241 0.000 0.848 344 S CB 1.442 64.754 63.200 0.187 0.000 1.091 344 S HN -0.049 nan 8.310 nan 0.000 0.453 345 E N 0.964 121.386 120.200 0.371 0.000 2.268 345 E HA -0.012 4.344 4.350 0.009 0.000 0.195 345 E C 2.105 178.838 176.600 0.221 0.000 0.995 345 E CA 1.279 57.879 56.400 0.333 0.000 0.836 345 E CB -0.415 29.424 29.700 0.230 0.000 0.763 345 E HN 0.720 nan 8.360 nan 0.000 0.491 346 A N 0.677 123.628 122.820 0.219 0.000 1.855 346 A HA -0.213 4.112 4.320 0.009 0.000 0.215 346 A C 2.124 179.829 177.584 0.202 0.000 1.191 346 A CA 1.349 53.488 52.037 0.170 0.000 0.613 346 A CB -0.954 18.137 19.000 0.151 0.000 0.829 346 A HN 0.303 nan 8.150 nan 0.000 0.442 347 Y N 0.067 120.453 120.300 0.144 0.000 2.081 347 Y HA -0.243 4.313 4.550 0.009 0.000 0.280 347 Y C 2.167 178.164 175.900 0.161 0.000 1.163 347 Y CA 2.087 60.275 58.100 0.147 0.000 1.135 347 Y CB -0.414 38.160 38.460 0.190 0.000 0.970 347 Y HN 0.283 nan 8.280 nan 0.000 0.498 348 L N 0.849 122.333 121.223 0.436 0.000 2.021 348 L HA -0.272 4.074 4.340 0.009 0.000 0.215 348 L C 2.256 179.164 176.870 0.064 0.000 1.074 348 L CA 2.065 57.022 54.840 0.196 0.000 0.760 348 L CB -0.734 41.115 42.059 -0.349 0.000 0.889 348 L HN 0.171 nan 8.230 nan 0.000 0.433 349 R N -1.357 119.164 120.500 0.034 0.000 2.115 349 R HA 0.004 4.349 4.340 0.009 0.000 0.226 349 R C 2.342 178.645 176.300 0.006 0.000 1.100 349 R CA 0.673 56.770 56.100 -0.005 0.000 0.980 349 R CB -0.206 30.095 30.300 0.001 0.000 0.875 349 R HN 0.265 nan 8.270 nan 0.000 0.445 350 R N -0.086 120.415 120.500 0.001 0.000 2.193 350 R HA 0.091 4.436 4.340 0.009 0.000 0.213 350 R C 1.763 178.030 176.300 -0.055 0.000 1.055 350 R CA 1.009 57.083 56.100 -0.044 0.000 0.995 350 R CB 0.098 30.340 30.300 -0.097 0.000 0.893 350 R HN 0.189 nan 8.270 nan 0.000 0.459 351 A N 0.040 122.847 122.820 -0.020 0.000 1.903 351 A HA -0.039 4.287 4.320 0.009 0.000 0.213 351 A C 2.235 179.996 177.584 0.295 0.000 1.185 351 A CA 0.792 52.878 52.037 0.082 0.000 0.628 351 A CB -0.346 18.732 19.000 0.129 0.000 0.830 351 A HN 0.079 nan 8.150 nan 0.000 0.446 352 V N 0.600 120.650 119.914 0.226 0.000 2.343 352 V HA -0.258 3.868 4.120 0.009 0.000 0.247 352 V C 2.541 178.731 176.094 0.160 0.000 1.051 352 V CA 2.260 64.618 62.300 0.096 0.000 1.036 352 V CB -0.709 30.984 31.823 -0.217 0.000 0.654 352 V HN 0.797 nan 8.190 nan 0.000 0.451 353 E N -0.029 120.218 120.200 0.079 0.000 2.208 353 E HA -0.157 4.199 4.350 0.009 0.000 0.193 353 E C 2.135 178.771 176.600 0.060 0.000 0.988 353 E CA 1.009 57.437 56.400 0.046 0.000 0.828 353 E CB -0.007 29.701 29.700 0.013 0.000 0.763 353 E HN 0.588 nan 8.360 nan 0.000 0.478 354 L N -0.014 121.257 121.223 0.081 0.000 2.209 354 L HA -0.025 4.320 4.340 0.009 0.000 0.207 354 L C 2.403 179.343 176.870 0.116 0.000 1.094 354 L CA 0.323 55.204 54.840 0.068 0.000 0.790 354 L CB -0.116 41.968 42.059 0.040 0.000 0.932 354 L HN 0.241 nan 8.230 nan 0.000 0.447 355 M N -1.073 118.660 119.600 0.221 0.000 2.476 355 M HA -0.008 4.478 4.480 0.009 0.000 0.262 355 M C 2.079 178.591 176.300 0.352 0.000 1.111 355 M CA 0.850 56.355 55.300 0.343 0.000 1.127 355 M CB -0.816 32.117 32.600 0.556 0.000 1.376 355 M HN 0.132 nan 8.290 nan 0.000 0.465 356 R N 0.635 121.260 120.500 0.208 0.000 2.189 356 R HA -0.227 4.119 4.340 0.009 0.000 0.252 356 R C -0.699 175.426 176.300 -0.291 0.000 1.134 356 R CA 2.225 58.232 56.100 -0.156 0.000 0.954 356 R CB -1.884 28.342 30.300 -0.123 0.000 0.890 356 R HN 0.235 nan 8.270 nan 0.000 0.443 357 P HA -0.145 nan 4.420 nan 0.000 0.219 357 P C 0.283 177.537 177.300 -0.076 0.000 1.146 357 P CA 1.499 64.543 63.100 -0.093 0.000 0.808 357 P CB -0.006 31.678 31.700 -0.026 0.000 0.779 358 R N -1.299 119.200 120.500 -0.002 0.000 2.388 358 R HA 0.244 4.589 4.340 0.009 0.000 0.247 358 R C -0.071 176.326 176.300 0.162 0.000 0.931 358 R CA -0.072 56.076 56.100 0.079 0.000 1.082 358 R CB -0.194 30.189 30.300 0.138 0.000 1.135 358 R HN 0.290 nan 8.270 nan 0.000 0.525 359 F N -2.631 117.323 119.950 0.006 0.000 2.588 359 F HA 0.446 4.978 4.527 0.009 0.000 0.314 359 F C -0.493 175.269 175.800 -0.062 0.000 1.134 359 F CA -1.317 56.672 58.000 -0.019 0.000 0.961 359 F CB 1.465 40.478 39.000 0.022 0.000 1.239 359 F HN -0.274 nan 8.300 nan 0.000 0.448 360 D N 1.299 121.695 120.400 -0.006 0.000 2.398 360 D HA 0.110 4.756 4.640 0.009 0.000 0.210 360 D C 0.301 176.493 176.300 -0.180 0.000 1.094 360 D CA 0.896 54.822 54.000 -0.123 0.000 0.839 360 D CB 0.929 41.678 40.800 -0.085 0.000 0.963 360 D HN 0.709 nan 8.370 nan 0.000 0.506 361 T N -2.577 111.914 114.554 -0.105 0.000 2.912 361 T HA 0.360 4.716 4.350 0.009 0.000 0.299 361 T C 1.142 175.725 174.700 -0.196 0.000 1.052 361 T CA -0.707 61.200 62.100 -0.321 0.000 0.996 361 T CB 1.277 69.825 68.868 -0.533 0.000 1.070 361 T HN -0.175 nan 8.240 nan 0.000 0.465 362 L N 1.248 122.246 121.223 -0.376 0.000 2.189 362 L HA -0.078 4.267 4.340 0.009 0.000 0.214 362 L C 2.715 179.048 176.870 -0.895 0.000 1.097 362 L CA 1.539 56.017 54.840 -0.602 0.000 0.764 362 L CB -0.452 41.187 42.059 -0.700 0.000 0.900 362 L HN 0.755 nan 8.230 nan 0.000 0.436 363 K N 0.563 120.438 120.400 -0.874 0.000 2.217 363 K HA -0.140 4.185 4.320 0.009 0.000 0.202 363 K C 1.800 178.235 176.600 -0.274 0.000 1.051 363 K CA 0.947 56.898 56.287 -0.560 0.000 0.952 363 K CB 0.131 32.422 32.500 -0.348 0.000 0.736 363 K HN 0.301 nan 8.250 nan 0.000 0.453 364 E N -0.501 119.558 120.200 -0.234 0.000 2.418 364 E HA -0.139 4.217 4.350 0.009 0.000 0.197 364 E C 1.295 177.760 176.600 -0.225 0.000 1.026 364 E CA 0.252 56.569 56.400 -0.138 0.000 0.862 364 E CB -0.060 29.635 29.700 -0.009 0.000 0.799 364 E HN 0.272 nan 8.360 nan 0.000 0.518 365 F N 2.312 121.925 119.950 -0.562 0.000 2.031 365 F HA -0.111 4.422 4.527 0.009 0.000 0.295 365 F C -0.967 174.613 175.800 -0.368 0.000 1.133 365 F CA 1.292 58.851 58.000 -0.734 0.000 1.188 365 F CB -0.991 37.364 39.000 -1.074 0.000 0.974 365 F HN -0.020 nan 8.300 nan 0.000 0.473 366 P HA -0.169 nan 4.420 nan 0.000 0.219 366 P C 1.034 178.203 177.300 -0.218 0.000 1.146 366 P CA 1.885 64.836 63.100 -0.249 0.000 0.808 366 P CB -0.233 31.421 31.700 -0.077 0.000 0.779 367 E N 0.467 120.552 120.200 -0.192 0.000 2.021 367 E HA -0.094 4.262 4.350 0.009 0.000 0.189 367 E C 1.854 178.363 176.600 -0.151 0.000 0.980 367 E CA 0.953 57.282 56.400 -0.119 0.000 0.803 367 E CB -0.555 29.104 29.700 -0.068 0.000 0.766 367 E HN 0.326 nan 8.360 nan 0.000 0.449 368 K N 0.956 121.236 120.400 -0.200 0.000 2.057 368 K HA -0.010 4.316 4.320 0.009 0.000 0.206 368 K C 1.746 178.135 176.600 -0.351 0.000 1.050 368 K CA 1.160 57.343 56.287 -0.172 0.000 0.935 368 K CB -0.036 32.405 32.500 -0.099 0.000 0.715 368 K HN 0.027 nan 8.250 nan 0.000 0.439 369 A N 1.594 124.034 122.820 -0.633 0.000 2.579 369 A HA 0.102 4.428 4.320 0.009 0.000 0.273 369 A C 1.583 178.776 177.584 -0.651 0.000 1.363 369 A CA -0.166 51.356 52.037 -0.859 0.000 0.953 369 A CB -0.332 18.096 19.000 -0.953 0.000 1.034 369 A HN 0.173 nan 8.150 nan 0.000 0.536 370 R N -0.063 120.154 120.500 -0.472 0.000 2.088 370 R HA -0.236 4.110 4.340 0.009 0.000 0.232 370 R C 1.869 178.094 176.300 -0.124 0.000 1.136 370 R CA 2.635 58.652 56.100 -0.139 0.000 0.926 370 R CB -0.672 29.634 30.300 0.011 0.000 0.837 370 R HN 0.744 nan 8.270 nan 0.000 0.429 371 Y N -0.215 120.051 120.300 -0.056 0.000 2.425 371 Y HA -0.173 4.383 4.550 0.009 0.000 0.285 371 Y C 1.533 177.325 175.900 -0.179 0.000 1.170 371 Y CA 0.803 58.761 58.100 -0.237 0.000 1.304 371 Y CB -0.727 37.304 38.460 -0.716 0.000 0.972 371 Y HN 0.097 nan 8.280 nan 0.000 0.558 372 L N -1.604 119.358 121.223 -0.435 0.000 2.492 372 L HA 0.045 4.390 4.340 0.009 0.000 0.223 372 L C 0.811 177.372 176.870 -0.516 0.000 1.132 372 L CA 0.583 55.139 54.840 -0.474 0.000 0.850 372 L CB -0.242 41.320 42.059 -0.828 0.000 0.966 372 L HN 0.238 nan 8.230 nan 0.000 0.454 373 F N -1.844 118.156 119.950 0.084 0.000 2.728 373 F HA 0.212 4.745 4.527 0.010 0.000 0.314 373 F C 0.853 176.703 175.800 0.083 0.000 1.094 373 F CA -0.139 57.925 58.000 0.105 0.000 1.217 373 F CB 0.721 39.792 39.000 0.119 0.000 1.056 373 F HN -0.211 nan 8.300 nan 0.000 0.577 374 T N -1.178 113.522 114.554 0.243 0.000 2.894 374 T HA 0.292 4.647 4.350 0.009 0.000 0.309 374 T C 0.114 174.965 174.700 0.253 0.000 1.208 374 T CA -0.246 61.977 62.100 0.205 0.000 1.016 374 T CB 1.768 70.750 68.868 0.191 0.000 1.192 374 T HN -0.094 nan 8.240 nan 0.000 0.491 375 E N 1.274 121.576 120.200 0.170 0.000 2.502 375 E HA 0.153 4.509 4.350 0.009 0.000 0.194 375 E C -0.388 176.225 176.600 0.022 0.000 1.062 375 E CA 0.430 56.935 56.400 0.174 0.000 0.867 375 E CB 0.258 30.006 29.700 0.080 0.000 0.888 375 E HN 0.505 nan 8.360 nan 0.000 0.510 376 D N 0.839 121.260 120.400 0.034 0.000 2.479 376 D HA 0.111 4.756 4.640 0.009 0.000 0.247 376 D C -0.684 175.617 176.300 0.001 0.000 1.119 376 D CA -0.320 53.623 54.000 -0.096 0.000 0.922 376 D CB 0.083 40.859 40.800 -0.039 0.000 1.014 376 D HN 0.127 nan 8.370 nan 0.000 0.510 377 Y N -0.624 119.715 120.300 0.064 0.000 2.562 377 Y HA 0.708 5.263 4.550 0.009 0.000 0.343 377 Y C -2.489 173.446 175.900 0.059 0.000 1.025 377 Y CA -2.856 55.293 58.100 0.082 0.000 1.082 377 Y CB -0.117 38.432 38.460 0.149 0.000 1.264 377 Y HN -0.074 nan 8.280 nan 0.000 0.478 378 P HA 0.282 nan 4.420 nan 0.000 0.279 378 P C -1.096 176.319 177.300 0.191 0.000 1.239 378 P CA -0.400 62.784 63.100 0.140 0.000 0.789 378 P CB 1.864 33.633 31.700 0.116 0.000 0.933 379 V N 2.494 122.468 119.914 0.100 0.000 2.347 379 V HA 0.200 4.326 4.120 0.009 0.000 0.280 379 V C 1.141 177.268 176.094 0.055 0.000 1.021 379 V CA -0.604 61.754 62.300 0.096 0.000 0.847 379 V CB 0.739 32.601 31.823 0.065 0.000 0.990 379 V HN 0.829 nan 8.190 nan 0.000 0.444 380 S N 2.967 118.698 115.700 0.051 0.000 2.580 380 S HA 0.024 4.500 4.470 0.009 0.000 0.261 380 S C 1.102 175.716 174.600 0.023 0.000 1.366 380 S CA 0.548 58.769 58.200 0.033 0.000 0.996 380 S CB 0.788 64.004 63.200 0.026 0.000 0.902 380 S HN 0.869 nan 8.310 nan 0.000 0.566 381 E N 0.846 121.057 120.200 0.018 0.000 2.152 381 E HA -0.105 4.250 4.350 0.009 0.000 0.192 381 E C 1.849 178.455 176.600 0.009 0.000 0.983 381 E CA 0.870 57.278 56.400 0.013 0.000 0.818 381 E CB -0.106 29.601 29.700 0.012 0.000 0.758 381 E HN 0.744 nan 8.360 nan 0.000 0.467 382 K N 0.033 120.439 120.400 0.009 0.000 2.103 382 K HA -0.035 4.291 4.320 0.009 0.000 0.204 382 K C 2.068 178.668 176.600 0.001 0.000 1.052 382 K CA 0.886 57.176 56.287 0.005 0.000 0.945 382 K CB -0.045 32.458 32.500 0.004 0.000 0.722 382 K HN 0.107 nan 8.250 nan 0.000 0.443 383 A N 1.080 123.901 122.820 0.001 0.000 1.865 383 A HA -0.283 4.043 4.320 0.009 0.000 0.217 383 A C 2.141 179.726 177.584 0.001 0.000 1.191 383 A CA 1.812 53.847 52.037 -0.004 0.000 0.623 383 A CB -0.659 18.340 19.000 -0.001 0.000 0.826 383 A HN 0.258 nan 8.150 nan 0.000 0.444 384 Q N -0.678 119.126 119.800 0.007 0.000 2.002 384 Q HA -0.205 4.141 4.340 0.009 0.000 0.204 384 Q C 2.264 178.266 176.000 0.003 0.000 0.988 384 Q CA 1.917 57.723 55.803 0.006 0.000 0.843 384 Q CB -0.212 28.529 28.738 0.006 0.000 0.908 384 Q HN 0.477 nan 8.270 nan 0.000 0.420 385 R N 0.559 121.061 120.500 0.003 0.000 2.133 385 R HA -0.155 4.190 4.340 0.009 0.000 0.245 385 R C 2.131 178.433 176.300 0.003 0.000 1.137 385 R CA 1.609 57.711 56.100 0.003 0.000 0.947 385 R CB -0.829 29.473 30.300 0.004 0.000 0.865 385 R HN 0.275 nan 8.270 nan 0.000 0.437 386 K N 0.500 120.901 120.400 0.001 0.000 2.026 386 K HA -0.104 4.221 4.320 0.009 0.000 0.208 386 K C 1.981 178.582 176.600 0.001 0.000 1.048 386 K CA 0.747 57.034 56.287 -0.000 0.000 0.929 386 K CB -0.583 31.913 32.500 -0.006 0.000 0.713 386 K HN 0.081 nan 8.250 nan 0.000 0.439 387 L N 2.335 123.558 121.223 0.000 0.000 2.261 387 L HA -0.190 4.156 4.340 0.009 0.000 0.216 387 L C 2.038 178.910 176.870 0.004 0.000 1.114 387 L CA 1.876 56.717 54.840 0.001 0.000 0.777 387 L CB -0.547 41.513 42.059 0.002 0.000 0.910 387 L HN 0.308 nan 8.230 nan 0.000 0.440 388 E N -0.826 119.377 120.200 0.005 0.000 2.102 388 E HA -0.237 4.119 4.350 0.009 0.000 0.190 388 E C 1.973 178.579 176.600 0.010 0.000 0.971 388 E CA 0.842 57.246 56.400 0.006 0.000 0.821 388 E CB -0.658 29.045 29.700 0.004 0.000 0.777 388 E HN 0.693 nan 8.360 nan 0.000 0.460 389 E N 0.796 121.002 120.200 0.010 0.000 2.204 389 E HA -0.105 4.251 4.350 0.009 0.000 0.195 389 E C 1.558 178.171 176.600 0.021 0.000 0.990 389 E CA 1.283 57.691 56.400 0.014 0.000 0.821 389 E CB -0.135 29.572 29.700 0.011 0.000 0.750 389 E HN 0.378 nan 8.360 nan 0.000 0.477 390 G N 0.571 109.385 108.800 0.022 0.000 3.277 390 G HA2 0.072 4.037 3.960 0.009 0.000 0.243 390 G HA3 0.072 4.037 3.960 0.009 0.000 0.243 390 G C 1.231 176.153 174.900 0.037 0.000 1.107 390 G CA -0.432 44.688 45.100 0.034 0.000 0.771 390 G HN 0.169 nan 8.290 nan 0.000 0.544 391 L N 0.865 122.105 121.223 0.027 0.000 2.013 391 L HA -0.055 4.291 4.340 0.009 0.000 0.212 391 L C -0.094 176.799 176.870 0.038 0.000 1.073 391 L CA 2.019 56.873 54.840 0.023 0.000 0.753 391 L CB -0.819 41.247 42.059 0.012 0.000 0.890 391 L HN 0.126 nan 8.230 nan 0.000 0.432 392 P HA -0.186 nan 4.420 nan 0.000 0.216 392 P C 1.757 179.120 177.300 0.106 0.000 1.150 392 P CA 1.028 64.167 63.100 0.065 0.000 0.837 392 P CB 0.066 31.799 31.700 0.056 0.000 0.786 393 L N -1.116 120.182 121.223 0.124 0.000 2.056 393 L HA -0.106 4.240 4.340 0.009 0.000 0.207 393 L C 2.169 179.126 176.870 0.145 0.000 1.078 393 L CA 1.711 56.679 54.840 0.213 0.000 0.749 393 L CB -1.338 40.842 42.059 0.201 0.000 0.901 393 L HN -0.096 nan 8.230 nan 0.000 0.433 394 L N -1.685 119.575 121.223 0.063 0.000 2.291 394 L HA -0.154 4.191 4.340 0.009 0.000 0.214 394 L C 2.409 179.307 176.870 0.047 0.000 1.120 394 L CA 0.756 55.603 54.840 0.012 0.000 0.799 394 L CB -0.631 41.434 42.059 0.010 0.000 0.925 394 L HN 0.156 nan 8.230 nan 0.000 0.446 395 K N 0.670 121.111 120.400 0.069 0.000 2.002 395 K HA -0.166 4.160 4.320 0.009 0.000 0.209 395 K C 2.120 178.800 176.600 0.135 0.000 1.048 395 K CA 1.438 57.778 56.287 0.088 0.000 0.930 395 K CB 0.037 32.580 32.500 0.071 0.000 0.714 395 K HN 0.267 nan 8.250 nan 0.000 0.438 396 E N 0.157 120.456 120.200 0.164 0.000 2.106 396 E HA -0.191 4.165 4.350 0.009 0.000 0.192 396 E C 1.906 178.592 176.600 0.142 0.000 0.984 396 E CA 0.879 57.427 56.400 0.246 0.000 0.806 396 E CB 0.020 30.008 29.700 0.481 0.000 0.750 396 E HN 0.133 nan 8.360 nan 0.000 0.458 397 L N 0.265 121.397 121.223 -0.152 0.000 2.156 397 L HA -0.142 4.204 4.340 0.009 0.000 0.208 397 L C 2.142 178.928 176.870 -0.140 0.000 1.095 397 L CA 1.406 55.938 54.840 -0.514 0.000 0.770 397 L CB -0.600 41.021 42.059 -0.730 0.000 0.914 397 L HN 0.115 nan 8.230 nan 0.000 0.439 398 Y N 1.993 122.231 120.300 -0.104 0.000 2.102 398 Y HA -0.192 4.363 4.550 0.009 0.000 0.280 398 Y C -0.678 175.221 175.900 -0.002 0.000 1.178 398 Y CA 2.343 60.425 58.100 -0.031 0.000 1.146 398 Y CB -1.809 36.647 38.460 -0.007 0.000 0.968 398 Y HN 0.293 nan 8.280 nan 0.000 0.504 399 P HA -0.192 nan 4.420 nan 0.000 0.216 399 P C 1.111 178.328 177.300 -0.137 0.000 1.150 399 P CA 1.901 64.886 63.100 -0.191 0.000 0.837 399 P CB -0.181 31.494 31.700 -0.040 0.000 0.786 400 R N -0.074 120.379 120.500 -0.079 0.000 2.081 400 R HA -0.008 4.337 4.340 0.009 0.000 0.235 400 R C 2.604 178.882 176.300 -0.037 0.000 1.131 400 R CA 0.961 57.036 56.100 -0.042 0.000 0.960 400 R CB -1.736 28.548 30.300 -0.027 0.000 0.856 400 R HN 0.305 nan 8.270 nan 0.000 0.436 401 L N 0.772 121.971 121.223 -0.040 0.000 2.017 401 L HA -0.121 4.225 4.340 0.009 0.000 0.208 401 L C 2.774 179.693 176.870 0.082 0.000 1.073 401 L CA 1.475 56.377 54.840 0.104 0.000 0.745 401 L CB -0.475 41.684 42.059 0.168 0.000 0.894 401 L HN 0.184 nan 8.230 nan 0.000 0.432 402 R N -0.022 120.375 120.500 -0.172 0.000 2.117 402 R HA -0.192 4.154 4.340 0.009 0.000 0.243 402 R C 2.301 178.554 176.300 -0.079 0.000 1.143 402 R CA 1.518 57.485 56.100 -0.222 0.000 0.968 402 R CB -0.481 29.564 30.300 -0.425 0.000 0.863 402 R HN 0.382 nan 8.270 nan 0.000 0.444 403 A N 0.641 123.432 122.820 -0.047 0.000 1.970 403 A HA -0.076 4.250 4.320 0.009 0.000 0.216 403 A C 1.086 178.697 177.584 0.045 0.000 1.170 403 A CA 0.103 52.137 52.037 -0.006 0.000 0.645 403 A CB -0.077 18.919 19.000 -0.008 0.000 0.816 403 A HN 0.163 nan 8.150 nan 0.000 0.447 404 Q N 0.446 120.304 119.800 0.098 0.000 2.283 404 Q HA 0.032 4.378 4.340 0.009 0.000 0.301 404 Q C 0.686 176.809 176.000 0.206 0.000 1.063 404 Q CA 0.754 56.652 55.803 0.158 0.000 0.952 404 Q CB 0.463 29.308 28.738 0.178 0.000 1.166 404 Q HN 0.533 nan 8.270 nan 0.000 0.381 405 E N 2.791 123.086 120.200 0.157 0.000 2.280 405 E HA 0.004 4.360 4.350 0.009 0.000 0.197 405 E C -0.410 176.298 176.600 0.180 0.000 0.913 405 E CA 0.005 56.486 56.400 0.136 0.000 0.995 405 E CB 0.190 29.934 29.700 0.075 0.000 0.991 405 E HN 0.706 nan 8.360 nan 0.000 0.484 406 E N 1.653 121.934 120.200 0.135 0.000 1.985 406 E HA -0.066 4.289 4.350 0.009 0.000 0.268 406 E C -0.840 175.854 176.600 0.156 0.000 1.219 406 E CA -0.147 56.325 56.400 0.119 0.000 0.942 406 E CB 0.092 29.822 29.700 0.050 0.000 1.045 406 E HN 0.180 nan 8.360 nan 0.000 0.413 407 W N 7.109 128.413 121.300 0.008 0.000 1.978 407 W HA 0.108 4.774 4.660 0.009 0.000 0.373 407 W C -0.723 175.807 176.519 0.018 0.000 0.813 407 W CA -0.294 57.061 57.345 0.016 0.000 1.571 407 W CB 0.443 29.917 29.460 0.023 0.000 1.746 407 W HN 0.419 nan 8.180 nan 0.000 0.302 408 T N -1.024 113.512 114.554 -0.030 0.000 2.924 408 T HA 0.305 4.661 4.350 0.009 0.000 0.291 408 T C 0.758 175.380 174.700 -0.130 0.000 1.045 408 T CA -0.491 61.587 62.100 -0.036 0.000 1.015 408 T CB 2.330 71.187 68.868 -0.018 0.000 1.103 408 T HN 0.189 nan 8.240 nan 0.000 0.496 409 E N 0.887 121.039 120.200 -0.080 0.000 2.077 409 E HA -0.020 4.336 4.350 0.009 0.000 0.193 409 E C 2.403 178.862 176.600 -0.234 0.000 0.989 409 E CA 1.552 57.893 56.400 -0.098 0.000 0.800 409 E CB -0.564 29.130 29.700 -0.010 0.000 0.746 409 E HN 0.781 nan 8.360 nan 0.000 0.452 410 A N 1.461 124.174 122.820 -0.177 0.000 1.869 410 A HA -0.268 4.058 4.320 0.009 0.000 0.218 410 A C 2.432 179.890 177.584 -0.211 0.000 1.203 410 A CA 2.401 54.327 52.037 -0.184 0.000 0.638 410 A CB -1.245 17.688 19.000 -0.111 0.000 0.831 410 A HN 0.325 nan 8.150 nan 0.000 0.450 411 A N -1.082 121.635 122.820 -0.173 0.000 1.865 411 A HA -0.066 4.260 4.320 0.009 0.000 0.217 411 A C 2.090 179.540 177.584 -0.224 0.000 1.191 411 A CA 1.913 53.852 52.037 -0.163 0.000 0.623 411 A CB -0.704 18.221 19.000 -0.125 0.000 0.826 411 A HN 0.443 nan 8.150 nan 0.000 0.444 412 L N -0.012 121.032 121.223 -0.299 0.000 2.012 412 L HA -0.192 4.154 4.340 0.009 0.000 0.210 412 L C 2.460 179.132 176.870 -0.329 0.000 1.073 412 L CA 2.364 57.002 54.840 -0.337 0.000 0.748 412 L CB -1.031 40.794 42.059 -0.391 0.000 0.891 412 L HN 0.656 nan 8.230 nan 0.000 0.431 413 E N -0.811 119.021 120.200 -0.614 0.000 2.031 413 E HA -0.239 4.117 4.350 0.009 0.000 0.193 413 E C 2.141 178.492 176.600 -0.414 0.000 0.994 413 E CA 1.244 57.056 56.400 -0.980 0.000 0.800 413 E CB -0.016 28.936 29.700 -1.247 0.000 0.752 413 E HN 0.449 nan 8.360 nan 0.000 0.447 414 A N 1.754 124.399 122.820 -0.293 0.000 1.908 414 A HA -0.196 4.129 4.320 0.009 0.000 0.218 414 A C 2.268 179.794 177.584 -0.096 0.000 1.181 414 A CA 1.463 53.404 52.037 -0.160 0.000 0.627 414 A CB -0.828 18.095 19.000 -0.127 0.000 0.818 414 A HN 0.469 nan 8.150 nan 0.000 0.445 415 L N -1.245 119.916 121.223 -0.103 0.000 2.017 415 L HA -0.168 4.177 4.340 0.009 0.000 0.208 415 L C 2.438 179.323 176.870 0.024 0.000 1.073 415 L CA 1.738 56.553 54.840 -0.043 0.000 0.745 415 L CB -0.244 41.764 42.059 -0.084 0.000 0.894 415 L HN 0.366 nan 8.230 nan 0.000 0.432 416 L N -0.126 121.109 121.223 0.019 0.000 2.056 416 L HA -0.168 4.178 4.340 0.009 0.000 0.207 416 L C 2.799 179.752 176.870 0.138 0.000 1.078 416 L CA 1.551 56.457 54.840 0.110 0.000 0.749 416 L CB -0.431 41.738 42.059 0.183 0.000 0.901 416 L HN 0.160 nan 8.230 nan 0.000 0.433 417 R N -1.037 119.500 120.500 0.062 0.000 2.120 417 R HA -0.108 4.238 4.340 0.009 0.000 0.234 417 R C 2.171 178.504 176.300 0.056 0.000 1.123 417 R CA 1.040 57.170 56.100 0.050 0.000 0.975 417 R CB -0.716 29.582 30.300 -0.003 0.000 0.866 417 R HN 0.512 nan 8.270 nan 0.000 0.446 418 G N 0.749 109.585 108.800 0.059 0.000 2.484 418 G HA2 -0.311 3.655 3.960 0.009 0.000 0.215 418 G HA3 -0.311 3.655 3.960 0.009 0.000 0.215 418 G C 1.199 176.158 174.900 0.099 0.000 1.219 418 G CA 0.517 45.654 45.100 0.062 0.000 0.791 418 G HN 0.263 nan 8.290 nan 0.000 0.550 419 F N 2.505 122.455 119.950 -0.000 0.000 2.120 419 F HA -0.111 4.422 4.527 0.009 0.000 0.300 419 F C 2.868 178.676 175.800 0.013 0.000 1.095 419 F CA 1.680 59.686 58.000 0.010 0.000 1.249 419 F CB -0.278 38.732 39.000 0.016 0.000 0.995 419 F HN 0.240 nan 8.300 nan 0.000 0.480 420 A N 0.392 123.310 122.820 0.164 0.000 1.851 420 A HA -0.140 4.185 4.320 0.009 0.000 0.216 420 A C 2.443 180.000 177.584 -0.045 0.000 1.195 420 A CA 2.169 54.240 52.037 0.058 0.000 0.622 420 A CB -1.705 17.351 19.000 0.094 0.000 0.831 420 A HN 0.528 nan 8.150 nan 0.000 0.444 421 A N -0.475 122.336 122.820 -0.015 0.000 1.948 421 A HA -0.253 4.073 4.320 0.009 0.000 0.220 421 A C 2.034 179.573 177.584 -0.075 0.000 1.177 421 A CA 2.071 54.088 52.037 -0.034 0.000 0.636 421 A CB -0.555 18.437 19.000 -0.013 0.000 0.815 421 A HN 0.731 nan 8.150 nan 0.000 0.449 422 E N -1.477 118.650 120.200 -0.121 0.000 2.371 422 E HA -0.090 4.266 4.350 0.009 0.000 0.194 422 E C 1.297 177.757 176.600 -0.233 0.000 1.012 422 E CA 0.847 57.151 56.400 -0.160 0.000 0.860 422 E CB 0.081 29.681 29.700 -0.165 0.000 0.811 422 E HN 0.303 nan 8.360 nan 0.000 0.502 423 K N -0.254 119.964 120.400 -0.302 0.000 2.358 423 K HA 0.191 4.517 4.320 0.009 0.000 0.200 423 K C 0.063 176.570 176.600 -0.155 0.000 1.030 423 K CA 0.558 56.667 56.287 -0.297 0.000 1.097 423 K CB 0.865 33.085 32.500 -0.468 0.000 0.862 423 K HN 0.189 nan 8.250 nan 0.000 0.534 424 G N 0.769 109.503 108.800 -0.110 0.000 2.351 424 G HA2 -0.186 3.780 3.960 0.009 0.000 0.297 424 G HA3 -0.186 3.780 3.960 0.009 0.000 0.297 424 G C -0.599 174.274 174.900 -0.046 0.000 1.054 424 G CA 0.460 45.523 45.100 -0.062 0.000 1.123 424 G HN 0.132 nan 8.290 nan 0.000 0.512 425 V N 0.670 120.560 119.914 -0.040 0.000 2.924 425 V HA 0.544 4.669 4.120 0.009 0.000 0.300 425 V C 0.165 176.263 176.094 0.007 0.000 1.227 425 V CA -0.770 61.523 62.300 -0.011 0.000 0.954 425 V CB 2.204 34.022 31.823 -0.009 0.000 1.055 425 V HN 0.915 nan 8.190 nan 0.000 0.429 426 K N 4.035 124.445 120.400 0.016 0.000 2.295 426 K HA 0.265 4.591 4.320 0.009 0.000 0.270 426 K C 0.796 177.423 176.600 0.044 0.000 1.011 426 K CA 0.056 56.358 56.287 0.025 0.000 0.953 426 K CB 0.745 33.256 32.500 0.019 0.000 0.956 426 K HN 0.457 nan 8.250 nan 0.000 0.477 427 L N 3.955 125.212 121.223 0.057 0.000 2.103 427 L HA -0.107 4.239 4.340 0.009 0.000 0.215 427 L C 1.885 178.793 176.870 0.063 0.000 1.080 427 L CA 2.734 57.623 54.840 0.082 0.000 0.764 427 L CB -1.169 40.950 42.059 0.099 0.000 0.890 427 L HN 1.013 nan 8.230 nan 0.000 0.435 428 G N -1.413 107.411 108.800 0.039 0.000 2.469 428 G HA2 -0.291 3.675 3.960 0.009 0.000 0.220 428 G HA3 -0.291 3.675 3.960 0.009 0.000 0.220 428 G C 1.316 176.227 174.900 0.019 0.000 1.136 428 G CA 0.793 45.903 45.100 0.018 0.000 0.759 428 G HN 0.639 nan 8.290 nan 0.000 0.562 429 Q N -0.217 119.604 119.800 0.034 0.000 2.472 429 Q HA 0.107 4.452 4.340 0.009 0.000 0.208 429 Q C 2.129 178.167 176.000 0.062 0.000 0.958 429 Q CA 0.468 56.295 55.803 0.040 0.000 0.932 429 Q CB 0.288 29.052 28.738 0.044 0.000 1.007 429 Q HN 0.502 nan 8.270 nan 0.000 0.508 430 V N -0.349 119.609 119.914 0.073 0.000 3.013 430 V HA 0.060 4.186 4.120 0.009 0.000 0.238 430 V C 2.069 178.180 176.094 0.028 0.000 1.161 430 V CA 1.082 63.438 62.300 0.093 0.000 1.170 430 V CB -0.141 31.791 31.823 0.182 0.000 0.917 430 V HN 0.251 nan 8.190 nan 0.000 0.478 431 A N 0.020 122.845 122.820 0.008 0.000 1.845 431 A HA -0.220 4.106 4.320 0.009 0.000 0.215 431 A C 2.155 179.698 177.584 -0.068 0.000 1.195 431 A CA 1.777 53.781 52.037 -0.056 0.000 0.616 431 A CB -0.506 18.453 19.000 -0.069 0.000 0.832 431 A HN 0.476 nan 8.150 nan 0.000 0.443 432 Q N -0.399 119.375 119.800 -0.044 0.000 1.993 432 Q HA -0.088 4.257 4.340 0.009 0.000 0.202 432 Q C 0.024 175.998 176.000 -0.043 0.000 0.984 432 Q CA 2.092 57.866 55.803 -0.048 0.000 0.837 432 Q CB -2.092 26.625 28.738 -0.034 0.000 0.902 432 Q HN 0.453 nan 8.270 nan 0.000 0.423 433 P HA -0.182 nan 4.420 nan 0.000 0.215 433 P C 1.708 178.992 177.300 -0.026 0.000 1.163 433 P CA 1.002 64.093 63.100 -0.014 0.000 0.894 433 P CB -0.203 31.501 31.700 0.007 0.000 0.791 434 L N -0.622 120.582 121.223 -0.033 0.000 2.013 434 L HA -0.213 4.132 4.340 0.009 0.000 0.212 434 L C 2.687 179.516 176.870 -0.069 0.000 1.073 434 L CA 1.960 56.775 54.840 -0.041 0.000 0.753 434 L CB -0.702 41.328 42.059 -0.048 0.000 0.890 434 L HN -0.231 nan 8.230 nan 0.000 0.432 435 R N -0.659 119.778 120.500 -0.104 0.000 2.083 435 R HA -0.197 4.149 4.340 0.009 0.000 0.237 435 R C 2.216 178.428 176.300 -0.146 0.000 1.137 435 R CA 1.633 57.643 56.100 -0.150 0.000 0.951 435 R CB -0.553 29.650 30.300 -0.162 0.000 0.851 435 R HN 0.507 nan 8.270 nan 0.000 0.434 436 A N 0.639 123.403 122.820 -0.093 0.000 1.873 436 A HA -0.177 4.149 4.320 0.009 0.000 0.218 436 A C 2.412 179.980 177.584 -0.026 0.000 1.193 436 A CA 2.022 54.023 52.037 -0.059 0.000 0.629 436 A CB -1.153 17.829 19.000 -0.030 0.000 0.826 436 A HN 0.576 nan 8.150 nan 0.000 0.447 437 A N -1.182 121.629 122.820 -0.015 0.000 2.019 437 A HA 0.087 4.412 4.320 0.009 0.000 0.219 437 A C 2.159 179.771 177.584 0.048 0.000 1.164 437 A CA 1.437 53.489 52.037 0.024 0.000 0.644 437 A CB -0.387 18.621 19.000 0.013 0.000 0.805 437 A HN 0.484 nan 8.150 nan 0.000 0.449 438 L N -1.355 119.843 121.223 -0.041 0.000 2.145 438 L HA -0.018 4.327 4.340 0.009 0.000 0.201 438 L C 2.666 179.335 176.870 -0.334 0.000 1.075 438 L CA 1.699 56.485 54.840 -0.089 0.000 0.773 438 L CB 0.004 41.993 42.059 -0.116 0.000 0.936 438 L HN 0.569 nan 8.230 nan 0.000 0.451 439 T N -4.508 109.720 114.554 -0.542 0.000 3.044 439 T HA 0.214 4.570 4.350 0.009 0.000 0.260 439 T C 1.419 175.675 174.700 -0.740 0.000 1.019 439 T CA 0.497 61.935 62.100 -1.104 0.000 0.921 439 T CB 0.817 68.828 68.868 -1.428 0.000 1.053 439 T HN 0.413 nan 8.240 nan 0.000 0.533 440 G N 0.932 109.616 108.800 -0.194 0.000 2.196 440 G HA2 -0.366 3.599 3.960 0.009 0.000 0.268 440 G HA3 -0.366 3.599 3.960 0.009 0.000 0.268 440 G C 1.080 175.978 174.900 -0.004 0.000 0.975 440 G CA 1.061 46.225 45.100 0.107 0.000 0.648 440 G HN 0.708 nan 8.290 nan 0.000 0.538 441 S N -1.241 114.371 115.700 -0.147 0.000 2.315 441 S HA 0.319 4.795 4.470 0.009 0.000 0.211 441 S C 1.611 176.164 174.600 -0.078 0.000 1.029 441 S CA 1.854 59.989 58.200 -0.109 0.000 0.956 441 S CB -0.116 62.978 63.200 -0.177 0.000 0.918 441 S HN 1.473 nan 8.310 nan 0.000 0.470 442 L N 0.061 121.219 121.223 -0.108 0.000 3.294 442 L HA -0.040 4.306 4.340 0.009 0.000 0.437 442 L C -0.626 176.205 176.870 -0.066 0.000 0.749 442 L CA 1.052 55.846 54.840 -0.076 0.000 2.510 442 L CB -0.861 41.173 42.059 -0.043 0.000 1.159 442 L HN 0.392 nan 8.230 nan 0.000 0.602 443 E N 0.296 120.458 120.200 -0.064 0.000 2.265 443 E HA 0.773 5.128 4.350 0.009 0.000 0.262 443 E C -0.749 175.826 176.600 -0.042 0.000 0.889 443 E CA 0.378 56.755 56.400 -0.038 0.000 0.789 443 E CB 1.609 31.302 29.700 -0.010 0.000 1.221 443 E HN 0.134 nan 8.360 nan 0.000 0.414 444 T N 3.008 117.535 114.554 -0.046 0.000 2.700 444 T HA 0.465 4.820 4.350 0.009 0.000 0.307 444 T C -2.703 171.984 174.700 -0.022 0.000 1.580 444 T CA -0.812 61.271 62.100 -0.029 0.000 0.992 444 T CB 1.518 70.309 68.868 -0.129 0.000 1.577 444 T HN 0.247 nan 8.240 nan 0.000 0.496 445 P HA 0.396 nan 4.420 nan 0.000 0.276 445 P C 0.049 177.328 177.300 -0.036 0.000 1.261 445 P CA -0.265 62.836 63.100 0.002 0.000 0.800 445 P CB -0.111 31.611 31.700 0.036 0.000 1.066 446 G N 0.962 109.744 108.800 -0.030 0.000 2.862 446 G HA2 -0.190 3.776 3.960 0.009 0.000 0.303 446 G HA3 -0.190 3.776 3.960 0.009 0.000 0.303 446 G C 0.877 175.710 174.900 -0.111 0.000 0.335 446 G CA -0.060 45.012 45.100 -0.047 0.000 1.186 446 G HN 0.625 nan 8.290 nan 0.000 0.190 447 L N 3.316 124.389 121.223 -0.250 0.000 2.187 447 L HA -0.022 4.323 4.340 0.009 0.000 0.213 447 L C 2.111 178.728 176.870 -0.422 0.000 1.100 447 L CA 1.804 56.403 54.840 -0.402 0.000 0.765 447 L CB -0.398 41.283 42.059 -0.630 0.000 0.904 447 L HN 0.528 nan 8.230 nan 0.000 0.437 448 F N -0.472 119.444 119.950 -0.056 0.000 2.387 448 F HA 0.079 4.611 4.527 0.009 0.000 0.294 448 F C 2.405 178.167 175.800 -0.063 0.000 1.093 448 F CA 0.737 58.689 58.000 -0.080 0.000 1.420 448 F CB -0.574 38.374 39.000 -0.086 0.000 1.086 448 F HN 0.106 nan 8.300 nan 0.000 0.531 449 E N 0.182 120.440 120.200 0.097 0.000 2.106 449 E HA -0.139 4.216 4.350 0.009 0.000 0.192 449 E C 2.081 178.696 176.600 0.024 0.000 0.984 449 E CA 0.842 57.272 56.400 0.051 0.000 0.806 449 E CB -0.036 29.682 29.700 0.031 0.000 0.750 449 E HN 0.199 nan 8.360 nan 0.000 0.458 450 I N 0.703 121.273 120.570 -0.001 0.000 2.546 450 I HA -0.167 4.008 4.170 0.009 0.000 0.255 450 I C 2.163 178.303 176.117 0.039 0.000 1.163 450 I CA 1.069 62.368 61.300 -0.001 0.000 1.457 450 I CB -0.649 37.323 38.000 -0.047 0.000 1.092 450 I HN 0.165 nan 8.210 nan 0.000 0.434 451 L N 0.022 121.276 121.223 0.052 0.000 2.127 451 L HA -0.028 4.317 4.340 0.009 0.000 0.203 451 L C 2.645 179.704 176.870 0.314 0.000 1.080 451 L CA 0.931 55.858 54.840 0.145 0.000 0.768 451 L CB -0.258 41.822 42.059 0.036 0.000 0.924 451 L HN 0.145 nan 8.230 nan 0.000 0.444 452 A N 0.010 122.934 122.820 0.173 0.000 1.828 452 A HA -0.250 4.076 4.320 0.009 0.000 0.215 452 A C 2.065 179.829 177.584 0.300 0.000 1.203 452 A CA 1.666 53.846 52.037 0.240 0.000 0.614 452 A CB -1.059 17.997 19.000 0.094 0.000 0.844 452 A HN 0.275 nan 8.150 nan 0.000 0.445 453 L N 0.248 121.550 121.223 0.132 0.000 2.056 453 L HA -0.296 4.049 4.340 0.009 0.000 0.237 453 L C 2.435 179.373 176.870 0.113 0.000 1.106 453 L CA 2.649 57.500 54.840 0.018 0.000 0.829 453 L CB -0.957 41.010 42.059 -0.154 0.000 0.924 453 L HN 0.505 nan 8.230 nan 0.000 0.447 454 L N -0.871 120.452 121.223 0.166 0.000 2.081 454 L HA 0.008 4.353 4.340 0.009 0.000 0.212 454 L C 1.383 178.365 176.870 0.187 0.000 1.080 454 L CA 0.752 55.745 54.840 0.254 0.000 0.754 454 L CB -1.764 40.405 42.059 0.183 0.000 0.893 454 L HN 0.682 nan 8.230 nan 0.000 0.433 455 G N -0.362 108.520 108.800 0.138 0.000 2.690 455 G HA2 -0.239 3.727 3.960 0.009 0.000 0.686 455 G HA3 -0.239 3.727 3.960 0.009 0.000 0.686 455 G C 0.196 174.780 174.900 -0.525 0.000 1.277 455 G CA 0.053 45.082 45.100 -0.117 0.000 0.799 455 G HN 0.144 nan 8.290 nan 0.000 0.613 456 K N -0.118 119.565 120.400 -1.196 0.000 2.023 456 K HA -0.240 4.085 4.320 0.009 0.000 0.227 456 K C 2.149 178.344 176.600 -0.674 0.000 1.054 456 K CA 2.509 57.905 56.287 -1.484 0.000 0.977 456 K CB -0.186 31.699 32.500 -1.025 0.000 0.733 456 K HN 0.531 nan 8.250 nan 0.000 0.451 457 E N 0.022 119.998 120.200 -0.374 0.000 2.338 457 E HA -0.147 4.208 4.350 0.009 0.000 0.197 457 E C 2.038 178.576 176.600 -0.104 0.000 1.007 457 E CA 0.785 57.074 56.400 -0.185 0.000 0.849 457 E CB 0.096 29.721 29.700 -0.125 0.000 0.774 457 E HN 0.332 nan 8.360 nan 0.000 0.506 458 R N 0.007 120.449 120.500 -0.097 0.000 2.075 458 R HA 0.053 4.398 4.340 0.009 0.000 0.226 458 R C 2.334 178.652 176.300 0.030 0.000 1.114 458 R CA 0.916 57.013 56.100 -0.004 0.000 0.972 458 R CB -0.322 29.999 30.300 0.035 0.000 0.869 458 R HN 0.045 nan 8.270 nan 0.000 0.437 459 A N 1.848 124.675 122.820 0.011 0.000 1.865 459 A HA -0.148 4.177 4.320 0.009 0.000 0.217 459 A C 2.295 179.945 177.584 0.110 0.000 1.191 459 A CA 1.232 53.333 52.037 0.106 0.000 0.623 459 A CB -0.691 18.453 19.000 0.239 0.000 0.826 459 A HN 0.140 nan 8.150 nan 0.000 0.444 460 L N -0.528 120.727 121.223 0.053 0.000 1.976 460 L HA -0.246 4.100 4.340 0.009 0.000 0.209 460 L C 2.907 179.847 176.870 0.117 0.000 1.071 460 L CA 2.054 56.987 54.840 0.156 0.000 0.746 460 L CB -0.593 41.521 42.059 0.092 0.000 0.890 460 L HN 0.631 nan 8.230 nan 0.000 0.432 461 R N 0.583 121.115 120.500 0.054 0.000 2.096 461 R HA -0.216 4.129 4.340 0.009 0.000 0.240 461 R C 2.237 178.550 176.300 0.022 0.000 1.139 461 R CA 1.869 57.985 56.100 0.027 0.000 0.952 461 R CB -0.483 29.825 30.300 0.014 0.000 0.854 461 R HN 0.270 nan 8.270 nan 0.000 0.436 462 R N 0.339 120.872 120.500 0.055 0.000 2.189 462 R HA 0.054 4.399 4.340 0.009 0.000 0.218 462 R C 2.381 178.706 176.300 0.041 0.000 1.074 462 R CA 0.975 57.120 56.100 0.075 0.000 0.991 462 R CB -0.223 30.173 30.300 0.159 0.000 0.883 462 R HN 0.311 nan 8.270 nan 0.000 0.457 463 L N 1.186 122.428 121.223 0.032 0.000 2.109 463 L HA -0.158 4.187 4.340 0.009 0.000 0.207 463 L C 2.409 179.176 176.870 -0.171 0.000 1.086 463 L CA 1.279 56.109 54.840 -0.016 0.000 0.760 463 L CB -0.223 41.886 42.059 0.084 0.000 0.910 463 L HN 0.290 nan 8.230 nan 0.000 0.437 464 E N 0.092 120.149 120.200 -0.239 0.000 2.028 464 E HA -0.310 4.045 4.350 0.009 0.000 0.190 464 E C 2.073 178.576 176.600 -0.161 0.000 0.984 464 E CA 0.881 57.096 56.400 -0.309 0.000 0.800 464 E CB -0.570 28.970 29.700 -0.267 0.000 0.758 464 E HN 0.389 nan 8.360 nan 0.000 0.448 465 R N 1.518 121.959 120.500 -0.098 0.000 2.159 465 R HA -0.256 4.089 4.340 0.009 0.000 0.252 465 R C 2.366 178.624 176.300 -0.069 0.000 1.144 465 R CA 2.300 58.358 56.100 -0.070 0.000 0.961 465 R CB -0.490 29.776 30.300 -0.055 0.000 0.877 465 R HN 0.269 nan 8.270 nan 0.000 0.444 466 A N 0.322 123.105 122.820 -0.062 0.000 1.968 466 A HA -0.007 4.318 4.320 0.009 0.000 0.217 466 A C 2.069 179.617 177.584 -0.060 0.000 1.169 466 A CA 1.234 53.242 52.037 -0.048 0.000 0.638 466 A CB -0.192 18.792 19.000 -0.026 0.000 0.812 466 A HN 0.372 nan 8.150 nan 0.000 0.446 467 L N -1.228 119.937 121.223 -0.096 0.000 2.194 467 L HA 0.303 4.649 4.340 0.009 0.000 0.197 467 L C 1.889 178.707 176.870 -0.086 0.000 1.106 467 L CA 0.332 55.115 54.840 -0.096 0.000 0.785 467 L CB -1.343 40.631 42.059 -0.140 0.000 0.960 467 L HN 0.275 nan 8.230 nan 0.000 0.465 468 A N 0.000 122.749 122.820 -0.119 0.000 2.254 468 A HA 0.000 4.326 4.320 0.009 0.000 0.244 468 A CA 0.000 51.985 52.037 -0.087 0.000 0.836 468 A CB 0.000 18.937 19.000 -0.105 0.000 0.831 468 A HN 0.000 nan 8.150 nan 0.000 0.486