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 2w93_1_D DATA FIRST_RESID 2 DATA SEQUENCE SEITLGKYLF ERLKQVNVNT VFGLPGDFNL SLLDKIYEVE GMRWAGNANE DATA SEQUENCE LNAAYAADGY ARIKGMSCII TTFGVGELSA LNGIAGSYAE HVGVLHVVGV DATA SEQUENCE PSISSQAKQL LLHHTLGNGD FTVFHRMSAN ISETTAMITD IATAPAEIDR DATA SEQUENCE CIRTTYVTQR PVYLGLPANL VDLNVPAKLL QTPIDMSLKP NDAESEKEVI DATA SEQUENCE DTILALVKDA KNPVILADAC CSRHDVKAET KKLIDLTQFP AFVTPMGKGS DATA SEQUENCE IDEQHPRYGG VYVGTLSKPE VKEAVESADL ILSVGALLSD FNTGSFSYSY DATA SEQUENCE KTKNIVEFHS DHMKIRNATF PGVQMKFVLQ KLLTNIADAA KGYKPVAVPA DATA SEQUENCE RTPANAAVPA STPLKQEWMW NQLGNFLQEG DVVIAETGTS AFGINQTTFP DATA SEQUENCE NNTYGISQVL WGSIGFTTGA TLGAAFAAEE IDPKKRVILF IGDGSLQLTV DATA SEQUENCE QEISTMIRWG LKPYLFVLNN DGYTIQKLIH GPKAQYNEIQ GWDHLSLLPT DATA SEQUENCE FGAKDYETHR VATTGEWDKL TQDKSFNDNS KIRMIEVMLP VFDAPQNLVE DATA SEQUENCE QAKLTAATNA KQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.613 174.600 0.022 0.000 1.055 2 S CA 0.000 58.211 58.200 0.018 0.000 1.107 2 S CB 0.000 63.212 63.200 0.020 0.000 0.593 3 E N 1.383 121.596 120.200 0.021 0.000 2.243 3 E HA 0.793 5.118 4.350 -0.042 0.000 0.260 3 E C -0.880 175.742 176.600 0.036 0.000 0.985 3 E CA -1.093 55.321 56.400 0.024 0.000 0.858 3 E CB 2.267 31.974 29.700 0.011 0.000 1.210 3 E HN 0.666 nan 8.360 nan 0.000 0.411 4 I N 0.224 120.821 120.570 0.045 0.000 2.841 4 I HA 0.176 4.320 4.170 -0.042 0.000 0.298 4 I C -0.688 175.464 176.117 0.058 0.000 1.304 4 I CA -0.500 60.838 61.300 0.064 0.000 1.019 4 I CB 2.249 40.311 38.000 0.103 0.000 1.282 4 I HN 0.638 nan 8.210 nan 0.000 0.432 5 T N 3.452 118.042 114.554 0.059 0.000 2.926 5 T HA 0.121 4.445 4.350 -0.042 0.000 0.307 5 T C 1.027 175.764 174.700 0.062 0.000 1.059 5 T CA -0.442 61.684 62.100 0.044 0.000 1.122 5 T CB 1.236 70.131 68.868 0.045 0.000 0.972 5 T HN 0.599 nan 8.240 nan 0.000 0.545 6 L N 3.264 124.493 121.223 0.010 0.000 2.043 6 L HA 0.078 4.392 4.340 -0.042 0.000 0.212 6 L C 2.542 179.437 176.870 0.042 0.000 1.075 6 L CA 2.617 57.449 54.840 -0.013 0.000 0.752 6 L CB -1.361 40.653 42.059 -0.074 0.000 0.891 6 L HN 0.988 nan 8.230 nan 0.000 0.432 7 G N -0.996 107.822 108.800 0.031 0.000 2.459 7 G HA2 -0.364 3.571 3.960 -0.042 0.000 0.217 7 G HA3 -0.364 3.571 3.960 -0.042 0.000 0.217 7 G C 1.730 176.689 174.900 0.099 0.000 1.183 7 G CA 0.941 46.063 45.100 0.036 0.000 0.776 7 G HN 0.446 nan 8.290 nan 0.000 0.552 8 K N -0.758 119.735 120.400 0.155 0.000 2.097 8 K HA -0.133 4.162 4.320 -0.042 0.000 0.206 8 K C 2.135 178.817 176.600 0.138 0.000 1.049 8 K CA 1.006 57.409 56.287 0.192 0.000 0.933 8 K CB -0.329 32.250 32.500 0.132 0.000 0.717 8 K HN 0.376 nan 8.250 nan 0.000 0.442 9 Y N 1.505 121.800 120.300 -0.009 0.000 2.081 9 Y HA -0.328 4.197 4.550 -0.042 0.000 0.280 9 Y C 2.005 177.850 175.900 -0.092 0.000 1.163 9 Y CA 1.825 59.903 58.100 -0.038 0.000 1.135 9 Y CB -0.529 37.904 38.460 -0.044 0.000 0.970 9 Y HN 0.117 nan 8.280 nan 0.000 0.498 10 L N -0.276 120.953 121.223 0.010 0.000 1.997 10 L HA -0.285 4.030 4.340 -0.042 0.000 0.216 10 L C 2.059 178.704 176.870 -0.374 0.000 1.074 10 L CA 2.157 56.840 54.840 -0.261 0.000 0.763 10 L CB -1.228 40.523 42.059 -0.514 0.000 0.890 10 L HN 0.262 nan 8.230 nan 0.000 0.434 11 F N -0.268 119.653 119.950 -0.047 0.000 2.325 11 F HA -0.067 4.436 4.527 -0.041 0.000 0.299 11 F C 2.485 178.228 175.800 -0.095 0.000 1.090 11 F CA 0.864 58.820 58.000 -0.073 0.000 1.392 11 F CB -0.695 38.257 39.000 -0.079 0.000 1.053 11 F HN 0.140 nan 8.300 nan 0.000 0.521 12 E N 0.252 120.459 120.200 0.012 0.000 2.077 12 E HA -0.152 4.173 4.350 -0.042 0.000 0.193 12 E C 2.393 178.911 176.600 -0.136 0.000 0.989 12 E CA 0.755 57.113 56.400 -0.070 0.000 0.800 12 E CB -0.216 29.412 29.700 -0.120 0.000 0.746 12 E HN 0.251 nan 8.360 nan 0.000 0.452 13 R N 0.591 120.952 120.500 -0.233 0.000 2.075 13 R HA -0.007 4.308 4.340 -0.042 0.000 0.232 13 R C 2.614 178.850 176.300 -0.107 0.000 1.126 13 R CA 0.524 56.495 56.100 -0.214 0.000 0.963 13 R CB -0.972 29.166 30.300 -0.270 0.000 0.858 13 R HN 0.241 nan 8.270 nan 0.000 0.435 14 L N 0.703 121.883 121.223 -0.072 0.000 2.012 14 L HA -0.190 4.124 4.340 -0.042 0.000 0.210 14 L C 2.654 179.524 176.870 0.000 0.000 1.073 14 L CA 1.535 56.367 54.840 -0.014 0.000 0.748 14 L CB -0.477 41.604 42.059 0.037 0.000 0.891 14 L HN 0.180 nan 8.230 nan 0.000 0.431 15 K N 0.094 120.497 120.400 0.006 0.000 2.063 15 K HA -0.248 4.047 4.320 -0.042 0.000 0.208 15 K C 2.111 178.698 176.600 -0.021 0.000 1.048 15 K CA 1.591 57.878 56.287 -0.001 0.000 0.928 15 K CB -0.036 32.464 32.500 0.000 0.000 0.713 15 K HN 0.361 nan 8.250 nan 0.000 0.442 16 Q N -0.050 119.724 119.800 -0.044 0.000 2.226 16 Q HA -0.102 4.213 4.340 -0.042 0.000 0.204 16 Q C 1.627 177.590 176.000 -0.062 0.000 0.975 16 Q CA 1.448 57.219 55.803 -0.054 0.000 0.866 16 Q CB 0.196 28.890 28.738 -0.074 0.000 0.915 16 Q HN 0.362 nan 8.270 nan 0.000 0.440 17 V N -2.677 117.198 119.914 -0.064 0.000 3.342 17 V HA 0.218 4.312 4.120 -0.042 0.000 0.322 17 V C -0.198 175.857 176.094 -0.065 0.000 1.370 17 V CA -0.283 61.959 62.300 -0.096 0.000 1.170 17 V CB -0.154 31.599 31.823 -0.117 0.000 1.101 17 V HN 0.313 nan 8.190 nan 0.000 0.442 18 N N -0.871 117.816 118.700 -0.023 0.000 2.829 18 N HA -0.136 4.579 4.740 -0.042 0.000 0.250 18 N C -0.046 175.524 175.510 0.100 0.000 1.090 18 N CA 1.074 54.133 53.050 0.014 0.000 0.781 18 N CB -1.613 36.864 38.487 -0.017 0.000 1.124 18 N HN 0.548 nan 8.380 nan 0.000 0.559 19 V N 1.325 121.302 119.914 0.106 0.000 2.320 19 V HA 0.197 4.292 4.120 -0.042 0.000 0.265 19 V C 0.967 177.096 176.094 0.058 0.000 1.048 19 V CA -0.205 62.195 62.300 0.166 0.000 0.865 19 V CB 0.885 32.770 31.823 0.104 0.000 1.043 19 V HN 0.234 nan 8.190 nan 0.000 0.474 20 N N 2.012 120.755 118.700 0.072 0.000 2.197 20 N HA 0.111 4.825 4.740 -0.042 0.000 0.201 20 N C 0.127 175.498 175.510 -0.232 0.000 1.148 20 N CA -0.003 53.023 53.050 -0.040 0.000 0.883 20 N CB 0.918 39.416 38.487 0.017 0.000 1.012 20 N HN 0.558 nan 8.380 nan 0.000 0.507 21 T N 0.628 114.901 114.554 -0.468 0.000 2.841 21 T HA 0.499 4.824 4.350 -0.042 0.000 0.283 21 T C -0.774 173.282 174.700 -1.073 0.000 1.000 21 T CA -0.511 61.031 62.100 -0.930 0.000 0.977 21 T CB 2.531 70.578 68.868 -1.368 0.000 0.979 21 T HN -0.327 nan 8.240 nan 0.000 0.446 22 V N 3.989 123.349 119.914 -0.923 0.000 2.495 22 V HA 0.588 4.683 4.120 -0.042 0.000 0.298 22 V C -0.821 174.713 176.094 -0.933 0.000 1.031 22 V CA -0.834 61.115 62.300 -0.585 0.000 0.871 22 V CB 1.093 32.905 31.823 -0.019 0.000 0.988 22 V HN 0.757 nan 8.190 nan 0.000 0.432 23 F N 2.018 121.723 119.950 -0.408 0.000 2.457 23 F HA 0.943 5.445 4.527 -0.042 0.000 0.330 23 F C 0.964 176.478 175.800 -0.477 0.000 1.069 23 F CA 0.521 58.209 58.000 -0.520 0.000 1.009 23 F CB 1.748 40.557 39.000 -0.319 0.000 1.276 23 F HN 0.815 nan 8.300 nan 0.000 0.492 24 G N 0.174 108.805 108.800 -0.281 0.000 2.331 24 G HA2 0.280 4.215 3.960 -0.042 0.000 0.402 24 G HA3 0.280 4.215 3.960 -0.042 0.000 0.402 24 G C -2.414 172.481 174.900 -0.009 0.000 1.275 24 G CA -1.195 43.880 45.100 -0.041 0.000 1.003 24 G HN 0.543 nan 8.290 nan 0.000 0.500 25 L N 1.525 122.945 121.223 0.328 0.000 2.388 25 L HA 0.714 5.029 4.340 -0.042 0.000 0.264 25 L C -1.963 175.193 176.870 0.477 0.000 0.998 25 L CA -1.631 53.465 54.840 0.426 0.000 0.817 25 L CB 2.634 44.822 42.059 0.215 0.000 1.338 25 L HN 0.544 nan 8.230 nan 0.000 0.414 26 P HA 0.415 nan 4.420 nan 0.000 0.274 26 P C -0.741 176.656 177.300 0.161 0.000 1.231 26 P CA -0.211 63.001 63.100 0.186 0.000 0.790 26 P CB 1.433 33.195 31.700 0.103 0.000 0.951 27 G N 0.936 109.819 108.800 0.138 0.000 2.692 27 G HA2 0.308 4.243 3.960 -0.042 0.000 0.291 27 G HA3 0.308 4.243 3.960 -0.042 0.000 0.291 27 G C 0.429 175.383 174.900 0.091 0.000 1.423 27 G CA -0.558 44.633 45.100 0.153 0.000 0.843 27 G HN 0.444 nan 8.290 nan 0.000 0.486 28 D N -0.215 120.183 120.400 -0.004 0.000 2.190 28 D HA -0.169 4.446 4.640 -0.042 0.000 0.200 28 D C 1.394 177.636 176.300 -0.097 0.000 0.992 28 D CA 1.222 55.145 54.000 -0.128 0.000 0.854 28 D CB -0.178 40.468 40.800 -0.256 0.000 0.936 28 D HN 0.216 nan 8.370 nan 0.000 0.462 29 F N 1.154 121.207 119.950 0.172 0.000 2.699 29 F HA 0.060 4.564 4.527 -0.039 0.000 0.298 29 F C 1.394 177.244 175.800 0.082 0.000 1.154 29 F CA 0.764 58.834 58.000 0.117 0.000 1.457 29 F CB -0.583 38.509 39.000 0.154 0.000 1.106 29 F HN 0.154 nan 8.300 nan 0.000 0.585 30 N N -0.928 117.897 118.700 0.208 0.000 2.159 30 N HA 0.046 4.761 4.740 -0.042 0.000 0.217 30 N C 1.059 176.583 175.510 0.023 0.000 1.223 30 N CA 0.181 53.300 53.050 0.115 0.000 0.896 30 N CB -0.842 37.717 38.487 0.121 0.000 1.064 30 N HN 0.217 nan 8.380 nan 0.000 0.518 31 L N -0.394 120.837 121.223 0.014 0.000 2.046 31 L HA -0.065 4.250 4.340 -0.042 0.000 0.208 31 L C 2.303 179.150 176.870 -0.037 0.000 1.077 31 L CA 1.462 56.280 54.840 -0.037 0.000 0.747 31 L CB -0.605 41.440 42.059 -0.024 0.000 0.896 31 L HN 0.287 nan 8.230 nan 0.000 0.432 32 S N 0.067 115.767 115.700 -0.000 0.000 2.383 32 S HA -0.160 4.285 4.470 -0.042 0.000 0.227 32 S C 1.894 176.502 174.600 0.013 0.000 1.026 32 S CA 1.020 59.224 58.200 0.007 0.000 0.981 32 S CB -0.165 63.048 63.200 0.021 0.000 0.818 32 S HN 0.270 nan 8.310 nan 0.000 0.472 33 L N 1.776 123.015 121.223 0.027 0.000 2.017 33 L HA 0.048 4.363 4.340 -0.042 0.000 0.208 33 L C 2.046 178.955 176.870 0.065 0.000 1.073 33 L CA 1.723 56.613 54.840 0.082 0.000 0.745 33 L CB -0.664 41.444 42.059 0.081 0.000 0.894 33 L HN 0.364 nan 8.230 nan 0.000 0.432 34 L N -0.760 120.386 121.223 -0.128 0.000 2.083 34 L HA -0.219 4.096 4.340 -0.042 0.000 0.209 34 L C 2.220 178.821 176.870 -0.448 0.000 1.083 34 L CA 1.190 55.776 54.840 -0.424 0.000 0.752 34 L CB -1.009 40.666 42.059 -0.639 0.000 0.899 34 L HN 0.292 nan 8.230 nan 0.000 0.433 35 D N 0.396 120.686 120.400 -0.184 0.000 2.172 35 D HA -0.185 4.430 4.640 -0.042 0.000 0.196 35 D C 2.101 178.339 176.300 -0.104 0.000 0.999 35 D CA 1.130 55.103 54.000 -0.046 0.000 0.856 35 D CB -0.094 40.714 40.800 0.013 0.000 0.934 35 D HN 0.256 nan 8.370 nan 0.000 0.453 36 K N 0.462 120.789 120.400 -0.122 0.000 2.217 36 K HA 0.002 4.296 4.320 -0.042 0.000 0.202 36 K C 2.325 178.741 176.600 -0.307 0.000 1.051 36 K CA 0.074 56.331 56.287 -0.050 0.000 0.952 36 K CB -0.183 32.446 32.500 0.215 0.000 0.736 36 K HN 0.322 nan 8.250 nan 0.000 0.453 37 I N 0.412 120.458 120.570 -0.874 0.000 2.194 37 I HA -0.307 3.838 4.170 -0.042 0.000 0.246 37 I C 1.768 177.531 176.117 -0.589 0.000 1.093 37 I CA 1.539 62.158 61.300 -1.134 0.000 1.355 37 I CB -0.415 36.773 38.000 -1.354 0.000 1.046 37 I HN 0.063 nan 8.210 nan 0.000 0.413 38 Y N 0.730 120.893 120.300 -0.229 0.000 2.516 38 Y HA -0.062 4.463 4.550 -0.041 0.000 0.291 38 Y C 2.177 178.030 175.900 -0.079 0.000 1.131 38 Y CA 0.406 58.433 58.100 -0.123 0.000 1.281 38 Y CB -0.618 37.784 38.460 -0.096 0.000 1.013 38 Y HN 0.247 nan 8.280 nan 0.000 0.554 39 E N -0.260 119.958 120.200 0.030 0.000 2.481 39 E HA 0.061 4.386 4.350 -0.042 0.000 0.195 39 E C -0.302 176.309 176.600 0.019 0.000 1.047 39 E CA 0.173 56.593 56.400 0.033 0.000 0.867 39 E CB 0.336 30.056 29.700 0.035 0.000 0.858 39 E HN 0.046 nan 8.360 nan 0.000 0.513 40 V N 2.494 122.401 119.914 -0.012 0.000 2.328 40 V HA 0.063 4.158 4.120 -0.042 0.000 0.278 40 V C 0.017 176.109 176.094 -0.005 0.000 1.021 40 V CA -0.775 61.523 62.300 -0.002 0.000 0.838 40 V CB 1.144 32.973 31.823 0.011 0.000 0.999 40 V HN 0.135 nan 8.190 nan 0.000 0.447 41 E N 3.995 124.202 120.200 0.011 0.000 2.465 41 E HA 0.297 4.622 4.350 -0.042 0.000 0.260 41 E C 1.264 177.869 176.600 0.008 0.000 0.980 41 E CA 1.070 57.480 56.400 0.016 0.000 0.927 41 E CB 0.322 30.033 29.700 0.018 0.000 0.934 41 E HN 1.019 nan 8.360 nan 0.000 0.459 42 G N 4.008 112.817 108.800 0.014 0.000 2.213 42 G HA2 -0.217 3.718 3.960 -0.042 0.000 0.236 42 G HA3 -0.217 3.718 3.960 -0.042 0.000 0.236 42 G C 0.147 175.034 174.900 -0.021 0.000 0.991 42 G CA 0.201 45.305 45.100 0.007 0.000 0.629 42 G HN 0.468 nan 8.290 nan 0.000 0.517 43 M N 1.025 120.598 119.600 -0.045 0.000 2.277 43 M HA 0.544 4.999 4.480 -0.042 0.000 0.350 43 M C 0.734 176.959 176.300 -0.125 0.000 1.180 43 M CA -0.383 54.850 55.300 -0.112 0.000 1.103 43 M CB 1.177 33.683 32.600 -0.157 0.000 1.577 43 M HN 0.598 nan 8.290 nan 0.000 0.459 44 R N 1.756 122.129 120.500 -0.211 0.000 2.795 44 R HA 0.564 4.879 4.340 -0.042 0.000 0.275 44 R C -1.661 174.489 176.300 -0.251 0.000 0.981 44 R CA -0.871 55.125 56.100 -0.174 0.000 0.917 44 R CB 2.043 32.176 30.300 -0.278 0.000 1.202 44 R HN 0.836 nan 8.270 nan 0.000 0.469 45 W N 3.189 124.332 121.300 -0.262 0.000 2.329 45 W HA 0.402 5.036 4.660 -0.043 0.000 0.312 45 W C -0.104 176.331 176.519 -0.141 0.000 1.054 45 W CA -0.369 56.813 57.345 -0.272 0.000 1.245 45 W CB 1.885 31.256 29.460 -0.149 0.000 1.255 45 W HN 0.958 nan 8.180 nan 0.000 0.436 46 A N 4.568 126.840 122.820 -0.913 0.000 1.908 46 A HA 0.045 4.340 4.320 -0.042 0.000 0.218 46 A C 1.546 179.076 177.584 -0.090 0.000 1.181 46 A CA 1.827 53.475 52.037 -0.647 0.000 0.627 46 A CB -1.246 17.282 19.000 -0.787 0.000 0.818 46 A HN 1.602 nan 8.150 nan 0.000 0.445 47 G N -0.309 108.116 108.800 -0.625 0.000 2.368 47 G HA2 -0.226 3.709 3.960 -0.042 0.000 0.290 47 G HA3 -0.226 3.709 3.960 -0.042 0.000 0.290 47 G C -0.328 174.557 174.900 -0.026 0.000 1.098 47 G CA 0.211 45.224 45.100 -0.145 0.000 1.073 47 G HN 0.729 nan 8.290 nan 0.000 0.511 48 N N -0.398 118.230 118.700 -0.121 0.000 2.415 48 N HA 0.500 5.215 4.740 -0.042 0.000 0.248 48 N C 1.513 177.036 175.510 0.023 0.000 1.271 48 N CA 0.418 53.468 53.050 0.000 0.000 0.913 48 N CB 0.674 39.159 38.487 -0.003 0.000 1.129 48 N HN 0.543 nan 8.380 nan 0.000 0.444 49 A N 0.715 123.544 122.820 0.015 0.000 2.132 49 A HA 0.061 4.356 4.320 -0.042 0.000 0.213 49 A C 0.154 177.744 177.584 0.009 0.000 1.154 49 A CA 0.779 52.813 52.037 -0.005 0.000 0.753 49 A CB -0.624 18.335 19.000 -0.068 0.000 0.826 49 A HN 0.865 nan 8.150 nan 0.000 0.469 50 N N -2.822 115.888 118.700 0.016 0.000 3.046 50 N HA 0.288 5.003 4.740 -0.042 0.000 0.243 50 N C -0.429 175.081 175.510 0.000 0.000 1.452 50 N CA -0.410 52.651 53.050 0.017 0.000 0.882 50 N CB 0.290 38.789 38.487 0.020 0.000 1.425 50 N HN -0.169 nan 8.380 nan 0.000 0.517 51 E N -0.399 119.796 120.200 -0.008 0.000 2.158 51 E HA 0.052 4.377 4.350 -0.042 0.000 0.191 51 E C 1.382 177.919 176.600 -0.104 0.000 0.982 51 E CA 0.593 56.975 56.400 -0.031 0.000 0.823 51 E CB -0.111 29.584 29.700 -0.009 0.000 0.766 51 E HN 0.510 nan 8.360 nan 0.000 0.468 52 L N 1.160 122.306 121.223 -0.128 0.000 2.017 52 L HA -0.155 4.160 4.340 -0.042 0.000 0.208 52 L C 1.360 177.990 176.870 -0.399 0.000 1.073 52 L CA 1.775 56.444 54.840 -0.286 0.000 0.745 52 L CB -0.518 41.401 42.059 -0.233 0.000 0.894 52 L HN 0.033 nan 8.230 nan 0.000 0.432 53 N N 0.292 118.907 118.700 -0.141 0.000 2.166 53 N HA -0.120 4.594 4.740 -0.042 0.000 0.186 53 N C 1.859 177.359 175.510 -0.016 0.000 1.019 53 N CA 1.536 54.599 53.050 0.021 0.000 0.856 53 N CB -0.582 37.948 38.487 0.070 0.000 0.993 53 N HN 0.540 nan 8.380 nan 0.000 0.426 54 A N 0.810 123.596 122.820 -0.055 0.000 1.908 54 A HA -0.008 4.287 4.320 -0.042 0.000 0.218 54 A C 2.332 179.829 177.584 -0.144 0.000 1.181 54 A CA 1.987 53.988 52.037 -0.060 0.000 0.627 54 A CB -0.862 18.125 19.000 -0.021 0.000 0.818 54 A HN 0.320 nan 8.150 nan 0.000 0.445 55 A N -1.425 121.301 122.820 -0.158 0.000 1.898 55 A HA -0.025 4.270 4.320 -0.042 0.000 0.216 55 A C 2.070 179.646 177.584 -0.013 0.000 1.181 55 A CA 1.489 53.435 52.037 -0.152 0.000 0.620 55 A CB -0.769 18.100 19.000 -0.219 0.000 0.819 55 A HN 0.527 nan 8.150 nan 0.000 0.442 56 Y N 0.042 120.340 120.300 -0.002 0.000 2.207 56 Y HA -0.127 4.398 4.550 -0.042 0.000 0.287 56 Y C 2.926 178.745 175.900 -0.136 0.000 1.156 56 Y CA 0.371 58.509 58.100 0.063 0.000 1.182 56 Y CB -1.079 37.409 38.460 0.047 0.000 0.979 56 Y HN 0.341 nan 8.280 nan 0.000 0.521 57 A N -0.130 122.611 122.820 -0.131 0.000 1.898 57 A HA -0.040 4.255 4.320 -0.042 0.000 0.216 57 A C 2.527 179.643 177.584 -0.781 0.000 1.181 57 A CA 1.694 53.450 52.037 -0.469 0.000 0.620 57 A CB -1.187 17.451 19.000 -0.604 0.000 0.819 57 A HN 0.357 nan 8.150 nan 0.000 0.442 58 A N -0.058 122.282 122.820 -0.800 0.000 1.940 58 A HA -0.256 4.039 4.320 -0.042 0.000 0.219 58 A C 1.957 179.497 177.584 -0.073 0.000 1.176 58 A CA 2.065 53.833 52.037 -0.450 0.000 0.631 58 A CB -0.616 18.299 19.000 -0.141 0.000 0.814 58 A HN 0.586 nan 8.150 nan 0.000 0.446 59 D N -0.394 120.016 120.400 0.016 0.000 2.084 59 D HA -0.103 4.511 4.640 -0.042 0.000 0.194 59 D C 2.137 178.532 176.300 0.158 0.000 0.990 59 D CA 1.725 55.824 54.000 0.165 0.000 0.826 59 D CB -0.550 40.468 40.800 0.363 0.000 0.971 59 D HN 0.318 nan 8.370 nan 0.000 0.453 60 G N -0.685 108.167 108.800 0.087 0.000 2.440 60 G HA2 -0.323 3.612 3.960 -0.042 0.000 0.218 60 G HA3 -0.323 3.612 3.960 -0.042 0.000 0.218 60 G C 1.684 176.610 174.900 0.044 0.000 1.154 60 G CA 1.017 46.138 45.100 0.036 0.000 0.767 60 G HN 0.386 nan 8.290 nan 0.000 0.552 61 Y N 1.876 122.134 120.300 -0.069 0.000 2.145 61 Y HA -0.007 4.518 4.550 -0.042 0.000 0.286 61 Y C 2.995 178.909 175.900 0.024 0.000 1.145 61 Y CA 1.627 59.742 58.100 0.025 0.000 1.148 61 Y CB -0.381 38.166 38.460 0.145 0.000 0.981 61 Y HN 0.252 nan 8.280 nan 0.000 0.507 62 A N 0.533 123.505 122.820 0.254 0.000 1.940 62 A HA -0.244 4.051 4.320 -0.042 0.000 0.219 62 A C 2.257 179.866 177.584 0.042 0.000 1.176 62 A CA 2.013 54.151 52.037 0.169 0.000 0.631 62 A CB -0.671 18.433 19.000 0.172 0.000 0.814 62 A HN 0.562 nan 8.150 nan 0.000 0.446 63 R N -0.821 119.687 120.500 0.014 0.000 2.096 63 R HA -0.069 4.246 4.340 -0.042 0.000 0.235 63 R C 1.762 177.866 176.300 -0.326 0.000 1.127 63 R CA 1.406 57.485 56.100 -0.034 0.000 0.968 63 R CB -0.252 30.092 30.300 0.073 0.000 0.861 63 R HN 0.470 nan 8.270 nan 0.000 0.440 64 I N 0.105 120.443 120.570 -0.388 0.000 2.494 64 I HA -0.080 4.065 4.170 -0.042 0.000 0.250 64 I C 1.904 177.821 176.117 -0.334 0.000 1.112 64 I CA 1.251 62.239 61.300 -0.519 0.000 1.438 64 I CB -0.475 37.270 38.000 -0.425 0.000 1.111 64 I HN -0.027 nan 8.210 nan 0.000 0.431 65 K N -0.028 120.186 120.400 -0.310 0.000 2.334 65 K HA 0.222 4.516 4.320 -0.042 0.000 0.195 65 K C 1.261 177.827 176.600 -0.058 0.000 1.045 65 K CA 0.982 57.116 56.287 -0.255 0.000 1.004 65 K CB 0.592 32.778 32.500 -0.523 0.000 0.837 65 K HN 0.340 nan 8.250 nan 0.000 0.510 66 G N -0.003 108.815 108.800 0.029 0.000 3.031 66 G HA2 -0.158 3.777 3.960 -0.042 0.000 0.198 66 G HA3 -0.158 3.777 3.960 -0.042 0.000 0.198 66 G C -0.022 175.051 174.900 0.288 0.000 1.242 66 G CA 0.056 45.284 45.100 0.213 0.000 0.878 66 G HN 0.318 nan 8.290 nan 0.000 0.493 67 M N -0.458 119.292 119.600 0.249 0.000 2.813 67 M HA 0.819 5.273 4.480 -0.042 0.000 0.270 67 M C -0.527 175.957 176.300 0.307 0.000 1.267 67 M CA -0.070 55.389 55.300 0.265 0.000 0.822 67 M CB 2.024 34.802 32.600 0.297 0.000 1.671 67 M HN 1.158 nan 8.290 nan 0.000 0.468 68 S N -0.073 115.784 115.700 0.261 0.000 2.671 68 S HA 0.853 5.298 4.470 -0.042 0.000 0.277 68 S C -1.554 173.140 174.600 0.157 0.000 1.165 68 S CA -0.744 57.610 58.200 0.257 0.000 0.822 68 S CB 1.762 65.136 63.200 0.290 0.000 1.150 68 S HN 1.281 nan 8.310 nan 0.000 0.479 69 C N 1.481 120.856 119.300 0.125 0.000 2.608 69 C HA 0.786 5.221 4.460 -0.042 0.000 0.325 69 C C -0.860 174.230 174.990 0.167 0.000 1.147 69 C CA -0.572 58.520 59.018 0.124 0.000 1.359 69 C CB -0.089 27.707 27.740 0.093 0.000 1.912 69 C HN 0.975 nan 8.230 nan 0.000 0.466 70 I N 6.695 127.365 120.570 0.167 0.000 2.474 70 I HA 0.660 4.805 4.170 -0.042 0.000 0.294 70 I C -1.097 175.176 176.117 0.260 0.000 1.005 70 I CA -0.865 60.541 61.300 0.177 0.000 1.113 70 I CB 1.313 39.339 38.000 0.044 0.000 1.289 70 I HN 0.676 nan 8.210 nan 0.000 0.436 71 I N 6.828 127.589 120.570 0.319 0.000 2.406 71 I HA 0.392 4.536 4.170 -0.042 0.000 0.290 71 I C -0.003 176.333 176.117 0.365 0.000 0.999 71 I CA -0.313 61.197 61.300 0.349 0.000 1.124 71 I CB 2.056 40.286 38.000 0.383 0.000 1.289 71 I HN 0.593 nan 8.210 nan 0.000 0.441 72 T N 0.474 115.215 114.554 0.311 0.000 2.888 72 T HA 0.476 4.801 4.350 -0.042 0.000 0.288 72 T C -0.305 174.530 174.700 0.225 0.000 1.063 72 T CA -0.723 61.544 62.100 0.279 0.000 1.010 72 T CB 2.077 71.139 68.868 0.323 0.000 1.214 72 T HN 0.423 nan 8.240 nan 0.000 0.533 73 T N 0.371 115.057 114.554 0.219 0.000 2.929 73 T HA 0.510 4.835 4.350 -0.042 0.000 0.284 73 T C -0.597 174.268 174.700 0.275 0.000 1.014 73 T CA -0.768 61.507 62.100 0.292 0.000 1.051 73 T CB 0.118 69.187 68.868 0.334 0.000 1.028 73 T HN 0.524 nan 8.240 nan 0.000 0.485 74 F N 3.591 123.690 119.950 0.248 0.000 2.623 74 F HA 0.309 4.810 4.527 -0.044 0.000 0.386 74 F C 1.441 177.280 175.800 0.065 0.000 1.068 74 F CA 1.824 59.930 58.000 0.176 0.000 1.265 74 F CB -0.314 38.766 39.000 0.132 0.000 1.026 74 F HN 0.918 nan 8.300 nan 0.000 0.568 75 G N 3.989 112.232 108.800 -0.929 0.000 5.206 75 G HA2 -0.404 3.530 3.960 -0.042 0.000 0.328 75 G HA3 -0.404 3.530 3.960 -0.042 0.000 0.328 75 G C 1.090 175.564 174.900 -0.709 0.000 1.382 75 G CA 1.315 45.612 45.100 -1.339 0.000 0.994 75 G HN 1.614 nan 8.290 nan 0.000 0.800 76 V N -0.042 119.601 119.914 -0.452 0.000 2.407 76 V HA 0.270 4.365 4.120 -0.042 0.000 0.248 76 V C 2.665 178.636 176.094 -0.206 0.000 1.055 76 V CA 2.756 64.852 62.300 -0.340 0.000 1.049 76 V CB -1.331 30.226 31.823 -0.444 0.000 0.662 76 V HN 1.548 nan 8.190 nan 0.000 0.455 77 G N 1.313 110.031 108.800 -0.138 0.000 2.417 77 G HA2 -0.142 3.792 3.960 -0.042 0.000 0.212 77 G HA3 -0.142 3.792 3.960 -0.042 0.000 0.212 77 G C 1.487 176.402 174.900 0.025 0.000 1.187 77 G CA 0.751 45.844 45.100 -0.012 0.000 0.804 77 G HN 0.749 nan 8.290 nan 0.000 0.534 78 E N 0.488 120.708 120.200 0.034 0.000 2.077 78 E HA -0.077 4.248 4.350 -0.042 0.000 0.193 78 E C 2.366 179.019 176.600 0.088 0.000 0.989 78 E CA 0.760 57.264 56.400 0.173 0.000 0.800 78 E CB -0.494 29.281 29.700 0.124 0.000 0.746 78 E HN 0.406 nan 8.360 nan 0.000 0.452 79 L N 1.200 122.366 121.223 -0.096 0.000 2.141 79 L HA -0.091 4.224 4.340 -0.042 0.000 0.209 79 L C 2.527 179.372 176.870 -0.042 0.000 1.094 79 L CA 0.990 55.779 54.840 -0.086 0.000 0.763 79 L CB -0.295 41.644 42.059 -0.200 0.000 0.908 79 L HN 0.174 nan 8.230 nan 0.000 0.437 80 S N 0.096 115.765 115.700 -0.052 0.000 2.399 80 S HA -0.124 4.321 4.470 -0.042 0.000 0.231 80 S C 1.994 176.561 174.600 -0.055 0.000 1.022 80 S CA 1.189 59.364 58.200 -0.041 0.000 0.983 80 S CB -0.112 63.065 63.200 -0.039 0.000 0.803 80 S HN 0.507 nan 8.310 nan 0.000 0.480 81 A N 0.756 123.546 122.820 -0.050 0.000 2.178 81 A HA 0.285 4.580 4.320 -0.042 0.000 0.211 81 A C 1.845 179.373 177.584 -0.093 0.000 1.157 81 A CA 0.213 52.179 52.037 -0.118 0.000 0.780 81 A CB -0.367 18.512 19.000 -0.202 0.000 0.828 81 A HN 0.419 nan 8.150 nan 0.000 0.476 82 L N -0.271 120.945 121.223 -0.012 0.000 2.131 82 L HA -0.193 4.122 4.340 -0.042 0.000 0.210 82 L C 2.422 179.307 176.870 0.026 0.000 1.092 82 L CA 1.740 56.594 54.840 0.024 0.000 0.759 82 L CB -0.615 41.476 42.059 0.053 0.000 0.903 82 L HN 0.508 nan 8.230 nan 0.000 0.435 83 N N 0.603 119.340 118.700 0.062 0.000 2.223 83 N HA -0.128 4.587 4.740 -0.042 0.000 0.185 83 N C 1.793 177.407 175.510 0.174 0.000 1.016 83 N CA 1.421 54.592 53.050 0.202 0.000 0.863 83 N CB -0.116 38.527 38.487 0.260 0.000 0.983 83 N HN 0.219 nan 8.380 nan 0.000 0.429 84 G N 0.695 109.479 108.800 -0.025 0.000 2.404 84 G HA2 -0.126 3.809 3.960 -0.042 0.000 0.215 84 G HA3 -0.126 3.809 3.960 -0.042 0.000 0.215 84 G C 1.407 176.295 174.900 -0.019 0.000 1.174 84 G CA 0.633 45.735 45.100 0.003 0.000 0.780 84 G HN 0.256 nan 8.290 nan 0.000 0.537 85 I N 2.023 122.551 120.570 -0.070 0.000 2.208 85 I HA -0.156 3.988 4.170 -0.042 0.000 0.245 85 I C 3.250 179.290 176.117 -0.128 0.000 1.097 85 I CA 1.307 62.575 61.300 -0.055 0.000 1.363 85 I CB -1.370 36.634 38.000 0.007 0.000 1.051 85 I HN 0.260 nan 8.210 nan 0.000 0.413 86 A N 1.028 123.706 122.820 -0.236 0.000 1.933 86 A HA -0.084 4.211 4.320 -0.042 0.000 0.218 86 A C 2.508 179.494 177.584 -0.997 0.000 1.175 86 A CA 1.816 53.541 52.037 -0.520 0.000 0.628 86 A CB -1.269 17.422 19.000 -0.515 0.000 0.814 86 A HN 0.442 nan 8.150 nan 0.000 0.444 87 G N -0.913 107.199 108.800 -1.147 0.000 2.408 87 G HA2 -0.084 3.851 3.960 -0.042 0.000 0.217 87 G HA3 -0.084 3.851 3.960 -0.042 0.000 0.217 87 G C 1.763 176.409 174.900 -0.423 0.000 1.150 87 G CA 1.196 45.582 45.100 -1.190 0.000 0.776 87 G HN 0.487 nan 8.290 nan 0.000 0.542 88 S N -0.383 115.186 115.700 -0.219 0.000 2.382 88 S HA -0.122 4.323 4.470 -0.042 0.000 0.228 88 S C 1.921 176.478 174.600 -0.070 0.000 1.027 88 S CA 1.042 59.199 58.200 -0.072 0.000 0.991 88 S CB -0.403 62.799 63.200 0.004 0.000 0.823 88 S HN 0.520 nan 8.310 nan 0.000 0.469 89 Y N 2.307 122.482 120.300 -0.207 0.000 2.114 89 Y HA -0.138 4.391 4.550 -0.036 0.000 0.284 89 Y C 2.501 178.303 175.900 -0.162 0.000 1.143 89 Y CA 1.191 59.181 58.100 -0.183 0.000 1.135 89 Y CB -0.747 37.596 38.460 -0.196 0.000 0.980 89 Y HN 0.219 nan 8.280 nan 0.000 0.499 90 A N 0.120 122.915 122.820 -0.043 0.000 1.908 90 A HA -0.196 4.098 4.320 -0.042 0.000 0.218 90 A C 1.889 179.552 177.584 0.131 0.000 1.181 90 A CA 2.068 54.128 52.037 0.038 0.000 0.627 90 A CB -0.524 18.481 19.000 0.009 0.000 0.818 90 A HN 0.629 nan 8.150 nan 0.000 0.445 91 E N -1.166 119.073 120.200 0.065 0.000 2.474 91 E HA 0.074 4.399 4.350 -0.042 0.000 0.195 91 E C -0.892 175.809 176.600 0.168 0.000 1.039 91 E CA -0.111 56.351 56.400 0.104 0.000 0.881 91 E CB -0.141 29.568 29.700 0.014 0.000 0.970 91 E HN 0.777 nan 8.360 nan 0.000 0.486 92 H N -0.455 118.536 119.070 -0.132 0.000 2.847 92 H HA -0.104 4.428 4.556 -0.040 0.000 0.336 92 H C -0.809 174.423 175.328 -0.161 0.000 1.221 92 H CA -0.099 55.849 56.048 -0.166 0.000 1.162 92 H CB -1.822 27.852 29.762 -0.146 0.000 1.566 92 H HN -0.073 nan 8.280 nan 0.000 0.430 93 V N 0.385 120.292 119.914 -0.012 0.000 2.448 93 V HA 0.376 4.470 4.120 -0.042 0.000 0.295 93 V C 1.084 177.190 176.094 0.020 0.000 1.025 93 V CA -0.112 62.195 62.300 0.011 0.000 0.859 93 V CB 2.008 33.865 31.823 0.057 0.000 0.988 93 V HN 0.583 nan 8.190 nan 0.000 0.431 94 G N 4.001 112.822 108.800 0.036 0.000 2.605 94 G HA2 0.427 4.362 3.960 -0.042 0.000 0.301 94 G HA3 0.427 4.362 3.960 -0.042 0.000 0.301 94 G C -0.416 174.554 174.900 0.117 0.000 0.881 94 G CA -0.023 45.121 45.100 0.074 0.000 1.553 94 G HN 0.525 nan 8.290 nan 0.000 0.483 95 V N 4.161 124.138 119.914 0.107 0.000 2.384 95 V HA 0.270 4.365 4.120 -0.042 0.000 0.287 95 V C -0.059 176.114 176.094 0.131 0.000 1.020 95 V CA -0.943 61.427 62.300 0.117 0.000 0.850 95 V CB 1.550 33.425 31.823 0.086 0.000 0.987 95 V HN 0.586 nan 8.190 nan 0.000 0.436 96 L N 5.395 126.698 121.223 0.134 0.000 2.278 96 L HA 0.404 4.719 4.340 -0.042 0.000 0.287 96 L C 0.001 176.970 176.870 0.165 0.000 1.072 96 L CA 0.331 55.250 54.840 0.132 0.000 0.819 96 L CB 0.256 42.373 42.059 0.095 0.000 1.176 96 L HN 0.734 nan 8.230 nan 0.000 0.435 97 H N 4.801 123.893 119.070 0.037 0.000 2.690 97 H HA 0.451 4.982 4.556 -0.042 0.000 0.289 97 H C -1.166 174.091 175.328 -0.118 0.000 1.089 97 H CA -0.960 55.089 56.048 0.001 0.000 1.299 97 H CB 0.954 30.745 29.762 0.047 0.000 1.405 97 H HN 0.489 nan 8.280 nan 0.000 0.463 98 V N 6.763 126.698 119.914 0.035 0.000 2.407 98 V HA 0.156 4.251 4.120 -0.042 0.000 0.278 98 V C -0.162 175.817 176.094 -0.191 0.000 1.037 98 V CA -0.619 61.596 62.300 -0.142 0.000 0.900 98 V CB 1.407 33.203 31.823 -0.044 0.000 0.983 98 V HN 0.487 nan 8.190 nan 0.000 0.459 99 V N 3.661 123.358 119.914 -0.363 0.000 2.448 99 V HA 0.593 4.688 4.120 -0.042 0.000 0.295 99 V C 0.746 176.811 176.094 -0.048 0.000 1.025 99 V CA -0.594 61.580 62.300 -0.209 0.000 0.859 99 V CB 1.751 33.377 31.823 -0.327 0.000 0.988 99 V HN 0.947 nan 8.190 nan 0.000 0.431 100 G N 3.701 112.550 108.800 0.082 0.000 2.360 100 G HA2 0.497 4.432 3.960 -0.042 0.000 0.279 100 G HA3 0.497 4.432 3.960 -0.042 0.000 0.279 100 G C -0.222 174.787 174.900 0.183 0.000 1.189 100 G CA -0.005 45.175 45.100 0.133 0.000 0.941 100 G HN 0.976 nan 8.290 nan 0.000 0.445 101 V N 1.004 120.943 119.914 0.043 0.000 2.919 101 V HA 0.787 4.882 4.120 -0.042 0.000 0.316 101 V C -2.545 173.270 176.094 -0.464 0.000 1.077 101 V CA -3.033 59.170 62.300 -0.161 0.000 0.977 101 V CB 2.209 34.017 31.823 -0.024 0.000 1.039 101 V HN 0.461 nan 8.190 nan 0.000 0.441 102 P HA 0.152 nan 4.420 nan 0.000 0.268 102 P C 0.101 177.135 177.300 -0.443 0.000 1.208 102 P CA 0.255 62.834 63.100 -0.868 0.000 0.777 102 P CB 0.286 31.347 31.700 -1.064 0.000 0.875 103 S N 2.359 117.914 115.700 -0.242 0.000 2.569 103 S HA 0.030 4.474 4.470 -0.042 0.000 0.274 103 S C 1.490 175.939 174.600 -0.252 0.000 1.353 103 S CA -0.355 57.739 58.200 -0.177 0.000 1.023 103 S CB -0.126 63.020 63.200 -0.090 0.000 0.876 103 S HN 0.219 nan 8.310 nan 0.000 0.540 104 I N 2.206 122.662 120.570 -0.190 0.000 2.208 104 I HA -0.178 3.967 4.170 -0.042 0.000 0.245 104 I C 2.853 178.851 176.117 -0.198 0.000 1.097 104 I CA 2.015 63.199 61.300 -0.193 0.000 1.363 104 I CB -2.218 35.706 38.000 -0.127 0.000 1.051 104 I HN 0.960 nan 8.210 nan 0.000 0.413 105 S N 0.024 115.633 115.700 -0.151 0.000 2.383 105 S HA -0.120 4.325 4.470 -0.042 0.000 0.227 105 S C 2.179 176.684 174.600 -0.159 0.000 1.026 105 S CA 1.305 59.430 58.200 -0.126 0.000 0.981 105 S CB -0.628 62.524 63.200 -0.080 0.000 0.818 105 S HN 0.334 nan 8.310 nan 0.000 0.472 106 S N 2.343 117.927 115.700 -0.194 0.000 2.365 106 S HA -0.191 4.254 4.470 -0.042 0.000 0.225 106 S C 2.173 176.520 174.600 -0.421 0.000 1.039 106 S CA 1.658 59.719 58.200 -0.232 0.000 1.033 106 S CB -0.572 62.492 63.200 -0.228 0.000 0.887 106 S HN 0.658 nan 8.310 nan 0.000 0.447 107 Q N 0.468 119.860 119.800 -0.680 0.000 2.170 107 Q HA -0.074 4.241 4.340 -0.042 0.000 0.203 107 Q C 2.446 178.212 176.000 -0.390 0.000 0.976 107 Q CA 1.367 56.592 55.803 -0.965 0.000 0.858 107 Q CB -0.317 27.917 28.738 -0.839 0.000 0.907 107 Q HN 0.615 nan 8.270 nan 0.000 0.433 108 A N 1.484 124.160 122.820 -0.240 0.000 1.874 108 A HA -0.124 4.171 4.320 -0.042 0.000 0.214 108 A C 1.810 179.355 177.584 -0.065 0.000 1.189 108 A CA 1.079 53.046 52.037 -0.116 0.000 0.615 108 A CB -0.186 18.756 19.000 -0.096 0.000 0.830 108 A HN 0.103 nan 8.150 nan 0.000 0.443 109 K N -0.052 120.307 120.400 -0.068 0.000 2.574 109 K HA -0.030 4.265 4.320 -0.042 0.000 0.193 109 K C -0.006 176.603 176.600 0.015 0.000 1.035 109 K CA 0.506 56.779 56.287 -0.024 0.000 0.982 109 K CB -0.130 32.356 32.500 -0.024 0.000 0.795 109 K HN 0.513 nan 8.250 nan 0.000 0.491 110 Q N 0.167 119.985 119.800 0.030 0.000 2.461 110 Q HA -0.218 4.097 4.340 -0.042 0.000 0.273 110 Q C -0.827 175.295 176.000 0.204 0.000 1.163 110 Q CA 0.402 56.300 55.803 0.159 0.000 0.929 110 Q CB -1.938 26.873 28.738 0.122 0.000 1.334 110 Q HN 0.426 nan 8.270 nan 0.000 0.499 111 L N 0.543 121.871 121.223 0.174 0.000 2.525 111 L HA -0.011 4.304 4.340 -0.042 0.000 0.278 111 L C 1.146 178.145 176.870 0.216 0.000 1.218 111 L CA 0.229 55.166 54.840 0.162 0.000 0.878 111 L CB 0.077 42.204 42.059 0.114 0.000 1.127 111 L HN 0.280 nan 8.230 nan 0.000 0.492 112 L N 5.495 126.799 121.223 0.134 0.000 2.391 112 L HA 0.234 4.548 4.340 -0.042 0.000 0.249 112 L C -0.009 176.935 176.870 0.123 0.000 1.308 112 L CA -0.157 54.746 54.840 0.105 0.000 1.209 112 L CB -0.284 41.820 42.059 0.075 0.000 1.401 112 L HN 0.495 nan 8.230 nan 0.000 0.416 113 L N 2.498 123.811 121.223 0.151 0.000 2.439 113 L HA 0.258 4.573 4.340 -0.042 0.000 0.261 113 L C 0.722 177.664 176.870 0.121 0.000 1.153 113 L CA -0.926 53.998 54.840 0.140 0.000 0.808 113 L CB 0.530 42.681 42.059 0.154 0.000 1.126 113 L HN 0.467 nan 8.230 nan 0.000 0.460 114 H N 1.017 120.161 119.070 0.124 0.000 2.998 114 H HA -0.069 4.463 4.556 -0.040 0.000 0.353 114 H C -0.053 175.392 175.328 0.196 0.000 1.099 114 H CA 0.092 56.163 56.048 0.038 0.000 1.393 114 H CB 0.130 29.763 29.762 -0.215 0.000 1.343 114 H HN 0.728 nan 8.280 nan 0.000 0.609 115 H N -1.805 117.484 119.070 0.364 0.000 3.080 115 H HA -0.184 4.346 4.556 -0.043 0.000 0.254 115 H C 0.362 175.929 175.328 0.398 0.000 1.179 115 H CA 1.067 57.323 56.048 0.347 0.000 1.144 115 H CB -2.513 27.541 29.762 0.487 0.000 1.261 115 H HN 0.950 nan 8.280 nan 0.000 0.333 116 T N -2.801 112.009 114.554 0.425 0.000 2.948 116 T HA 0.647 4.972 4.350 -0.042 0.000 0.285 116 T C 1.564 176.395 174.700 0.218 0.000 1.019 116 T CA -0.866 61.437 62.100 0.338 0.000 1.013 116 T CB 1.607 70.511 68.868 0.059 0.000 1.117 116 T HN 0.105 nan 8.240 nan 0.000 0.533 117 L N 0.715 122.014 121.223 0.127 0.000 2.610 117 L HA 0.257 4.572 4.340 -0.042 0.000 0.232 117 L C 2.071 178.959 176.870 0.031 0.000 1.149 117 L CA 0.632 55.518 54.840 0.077 0.000 0.872 117 L CB -0.963 41.105 42.059 0.014 0.000 0.992 117 L HN 1.218 nan 8.230 nan 0.000 0.447 118 G N 1.326 110.132 108.800 0.010 0.000 2.143 118 G HA2 -0.315 3.619 3.960 -0.042 0.000 0.249 118 G HA3 -0.315 3.619 3.960 -0.042 0.000 0.249 118 G C 0.475 175.362 174.900 -0.022 0.000 0.981 118 G CA 0.583 45.688 45.100 0.007 0.000 0.665 118 G HN 0.601 nan 8.290 nan 0.000 0.528 119 N N -0.236 118.427 118.700 -0.063 0.000 2.187 119 N HA 0.406 5.121 4.740 -0.042 0.000 0.212 119 N C 1.568 177.029 175.510 -0.082 0.000 1.152 119 N CA 0.729 53.743 53.050 -0.060 0.000 0.872 119 N CB 0.023 38.474 38.487 -0.060 0.000 1.025 119 N HN 1.530 nan 8.380 nan 0.000 0.514 120 G N 0.281 108.996 108.800 -0.141 0.000 2.162 120 G HA2 -0.290 3.645 3.960 -0.042 0.000 0.260 120 G HA3 -0.290 3.645 3.960 -0.042 0.000 0.260 120 G C -0.592 174.204 174.900 -0.173 0.000 0.976 120 G CA 0.343 45.370 45.100 -0.122 0.000 0.655 120 G HN 0.618 nan 8.290 nan 0.000 0.533 121 D N -0.334 119.906 120.400 -0.266 0.000 2.396 121 D HA 0.543 5.158 4.640 -0.042 0.000 0.225 121 D C 0.800 176.933 176.300 -0.279 0.000 1.121 121 D CA -0.904 52.988 54.000 -0.181 0.000 0.853 121 D CB -0.129 40.575 40.800 -0.162 0.000 1.043 121 D HN 0.074 nan 8.370 nan 0.000 0.500 122 F N 1.231 121.186 119.950 0.007 0.000 2.765 122 F HA 0.060 4.560 4.527 -0.044 0.000 0.302 122 F C 2.356 178.232 175.800 0.126 0.000 1.111 122 F CA 0.232 58.296 58.000 0.106 0.000 1.359 122 F CB 0.362 39.346 39.000 -0.027 0.000 1.097 122 F HN 0.391 nan 8.300 nan 0.000 0.577 123 T N -4.334 110.293 114.554 0.122 0.000 3.044 123 T HA 0.005 4.330 4.350 -0.042 0.000 0.250 123 T C 1.950 176.608 174.700 -0.072 0.000 1.081 123 T CA 0.746 62.898 62.100 0.087 0.000 1.040 123 T CB -0.392 68.498 68.868 0.036 0.000 0.962 123 T HN 0.119 nan 8.240 nan 0.000 0.506 124 V N 0.784 120.522 119.914 -0.294 0.000 2.343 124 V HA -0.042 4.053 4.120 -0.042 0.000 0.247 124 V C 1.983 177.853 176.094 -0.373 0.000 1.051 124 V CA 1.718 63.761 62.300 -0.428 0.000 1.036 124 V CB -0.852 30.597 31.823 -0.624 0.000 0.654 124 V HN 0.500 nan 8.190 nan 0.000 0.451 125 F N 0.168 120.084 119.950 -0.058 0.000 2.206 125 F HA 0.022 4.527 4.527 -0.036 0.000 0.298 125 F C 2.390 178.128 175.800 -0.104 0.000 1.090 125 F CA 1.547 59.488 58.000 -0.097 0.000 1.323 125 F CB -1.482 37.401 39.000 -0.194 0.000 1.028 125 F HN 0.366 nan 8.300 nan 0.000 0.492 126 H N 0.889 119.924 119.070 -0.058 0.000 2.319 126 H HA -0.146 4.395 4.556 -0.025 0.000 0.299 126 H C 2.406 177.515 175.328 -0.366 0.000 1.092 126 H CA 1.677 57.496 56.048 -0.381 0.000 1.302 126 H CB 0.055 29.770 29.762 -0.078 0.000 1.373 126 H HN 0.133 nan 8.280 nan 0.000 0.497 127 R N -0.179 120.150 120.500 -0.284 0.000 2.105 127 R HA -0.144 4.171 4.340 -0.042 0.000 0.239 127 R C 2.661 178.835 176.300 -0.210 0.000 1.135 127 R CA 1.707 57.622 56.100 -0.309 0.000 0.967 127 R CB -0.152 30.010 30.300 -0.230 0.000 0.861 127 R HN 0.448 nan 8.270 nan 0.000 0.442 128 M N -0.249 119.271 119.600 -0.134 0.000 2.086 128 M HA -0.155 4.300 4.480 -0.042 0.000 0.261 128 M C 2.292 178.529 176.300 -0.105 0.000 1.067 128 M CA 1.574 56.828 55.300 -0.077 0.000 1.116 128 M CB -0.146 32.464 32.600 0.017 0.000 1.348 128 M HN 0.024 nan 8.290 nan 0.000 0.407 129 S N 0.253 115.857 115.700 -0.159 0.000 2.423 129 S HA -0.017 4.428 4.470 -0.042 0.000 0.231 129 S C 1.982 176.477 174.600 -0.175 0.000 1.014 129 S CA 1.022 59.123 58.200 -0.164 0.000 0.965 129 S CB -0.285 62.749 63.200 -0.278 0.000 0.785 129 S HN 0.537 nan 8.310 nan 0.000 0.495 130 A N 2.439 125.125 122.820 -0.224 0.000 2.024 130 A HA -0.133 4.162 4.320 -0.042 0.000 0.220 130 A C 1.806 179.294 177.584 -0.159 0.000 1.164 130 A CA 1.248 53.187 52.037 -0.164 0.000 0.643 130 A CB -0.516 18.360 19.000 -0.207 0.000 0.806 130 A HN 0.493 nan 8.150 nan 0.000 0.451 131 N N 0.076 118.670 118.700 -0.176 0.000 2.381 131 N HA -0.076 4.639 4.740 -0.042 0.000 0.182 131 N C 1.157 176.460 175.510 -0.346 0.000 1.025 131 N CA 1.650 54.577 53.050 -0.205 0.000 0.888 131 N CB -0.129 38.266 38.487 -0.153 0.000 0.965 131 N HN 0.825 nan 8.380 nan 0.000 0.438 132 I N -3.120 117.249 120.570 -0.336 0.000 3.658 132 I HA 0.351 4.496 4.170 -0.042 0.000 0.328 132 I C -0.547 175.382 176.117 -0.314 0.000 1.567 132 I CA -0.398 60.592 61.300 -0.518 0.000 1.078 132 I CB 0.467 38.298 38.000 -0.281 0.000 1.267 132 I HN -0.286 nan 8.210 nan 0.000 0.495 133 S N 0.820 116.415 115.700 -0.174 0.000 2.542 133 S HA 0.296 4.741 4.470 -0.042 0.000 0.293 133 S C 0.614 175.333 174.600 0.199 0.000 1.089 133 S CA -0.442 57.826 58.200 0.113 0.000 0.961 133 S CB 2.738 66.014 63.200 0.127 0.000 1.062 133 S HN 0.345 nan 8.310 nan 0.000 0.483 134 E N 1.661 122.031 120.200 0.282 0.000 2.072 134 E HA -0.029 4.296 4.350 -0.042 0.000 0.191 134 E C 0.655 177.338 176.600 0.138 0.000 0.985 134 E CA 1.412 57.943 56.400 0.217 0.000 0.801 134 E CB 0.212 29.993 29.700 0.135 0.000 0.750 134 E HN 0.566 nan 8.360 nan 0.000 0.452 135 T N -1.795 112.840 114.554 0.136 0.000 2.792 135 T HA 0.530 4.855 4.350 -0.042 0.000 0.303 135 T C -1.363 173.433 174.700 0.160 0.000 1.310 135 T CA -0.170 62.002 62.100 0.121 0.000 1.007 135 T CB 1.241 70.172 68.868 0.104 0.000 1.335 135 T HN 0.207 nan 8.240 nan 0.000 0.504 136 T N -0.538 114.121 114.554 0.175 0.000 2.883 136 T HA 0.885 5.210 4.350 -0.042 0.000 0.296 136 T C -1.206 173.615 174.700 0.201 0.000 1.117 136 T CA -0.559 61.697 62.100 0.258 0.000 1.006 136 T CB 1.639 70.751 68.868 0.406 0.000 1.191 136 T HN 1.148 nan 8.240 nan 0.000 0.508 137 A N 1.714 124.629 122.820 0.159 0.000 2.459 137 A HA 0.739 5.034 4.320 -0.042 0.000 0.296 137 A C -0.945 176.618 177.584 -0.035 0.000 1.039 137 A CA -0.804 51.273 52.037 0.066 0.000 0.698 137 A CB 1.717 20.739 19.000 0.038 0.000 1.261 137 A HN 0.985 nan 8.150 nan 0.000 0.405 138 M N 4.434 124.003 119.600 -0.052 0.000 2.043 138 M HA 0.485 4.940 4.480 -0.042 0.000 0.322 138 M C -1.203 175.073 176.300 -0.040 0.000 0.962 138 M CA -0.915 54.327 55.300 -0.097 0.000 0.927 138 M CB 0.246 32.782 32.600 -0.108 0.000 1.466 138 M HN 0.514 nan 8.290 nan 0.000 0.412 139 I N 5.139 125.675 120.570 -0.056 0.000 2.517 139 I HA 0.159 4.304 4.170 -0.042 0.000 0.285 139 I C 1.059 177.146 176.117 -0.051 0.000 1.106 139 I CA 0.432 61.701 61.300 -0.051 0.000 1.402 139 I CB -0.050 37.911 38.000 -0.065 0.000 1.399 139 I HN 0.902 nan 8.210 nan 0.000 0.535 140 T N -0.037 114.492 114.554 -0.042 0.000 2.969 140 T HA 0.139 4.464 4.350 -0.042 0.000 0.258 140 T C 0.251 174.923 174.700 -0.046 0.000 0.962 140 T CA -0.224 61.849 62.100 -0.045 0.000 0.903 140 T CB 0.382 69.230 68.868 -0.033 0.000 1.177 140 T HN 0.403 nan 8.240 nan 0.000 0.511 141 D N 0.566 120.939 120.400 -0.045 0.000 2.469 141 D HA 0.396 5.011 4.640 -0.042 0.000 0.251 141 D C 0.699 176.964 176.300 -0.058 0.000 1.173 141 D CA -0.877 53.096 54.000 -0.045 0.000 0.882 141 D CB 1.308 42.087 40.800 -0.035 0.000 1.129 141 D HN -0.004 nan 8.370 nan 0.000 0.549 142 I N 3.903 124.436 120.570 -0.062 0.000 2.423 142 I HA -0.127 4.018 4.170 -0.042 0.000 0.254 142 I C 1.884 177.949 176.117 -0.086 0.000 1.151 142 I CA 1.562 62.816 61.300 -0.078 0.000 1.421 142 I CB 0.018 37.977 38.000 -0.068 0.000 1.079 142 I HN 0.511 nan 8.210 nan 0.000 0.431 143 A N -0.864 121.916 122.820 -0.066 0.000 1.969 143 A HA -0.168 4.127 4.320 -0.042 0.000 0.218 143 A C 2.217 179.760 177.584 -0.068 0.000 1.169 143 A CA 2.080 54.081 52.037 -0.061 0.000 0.635 143 A CB -1.093 17.882 19.000 -0.043 0.000 0.810 143 A HN 0.550 nan 8.150 nan 0.000 0.445 144 T N -4.510 110.005 114.554 -0.066 0.000 3.044 144 T HA 0.540 4.865 4.350 -0.042 0.000 0.260 144 T C 1.625 176.278 174.700 -0.079 0.000 1.019 144 T CA 0.827 62.892 62.100 -0.059 0.000 0.921 144 T CB 0.258 69.105 68.868 -0.035 0.000 1.053 144 T HN 0.406 nan 8.240 nan 0.000 0.533 145 A N 3.096 125.850 122.820 -0.111 0.000 1.883 145 A HA 0.120 4.415 4.320 -0.042 0.000 0.217 145 A C 0.121 177.593 177.584 -0.186 0.000 1.186 145 A CA 1.230 53.188 52.037 -0.132 0.000 0.624 145 A CB -1.615 17.298 19.000 -0.146 0.000 0.822 145 A HN 0.450 nan 8.150 nan 0.000 0.444 146 P HA -0.178 nan 4.420 nan 0.000 0.215 146 P C 1.765 179.023 177.300 -0.070 0.000 1.157 146 P CA 2.152 64.973 63.100 -0.465 0.000 0.874 146 P CB -0.162 31.181 31.700 -0.594 0.000 0.790 147 A N -0.211 122.581 122.820 -0.048 0.000 1.902 147 A HA -0.217 4.078 4.320 -0.042 0.000 0.217 147 A C 2.229 179.828 177.584 0.024 0.000 1.181 147 A CA 1.556 53.601 52.037 0.013 0.000 0.623 147 A CB -1.092 17.909 19.000 0.001 0.000 0.818 147 A HN 0.079 nan 8.150 nan 0.000 0.443 148 E N -0.063 120.137 120.200 -0.000 0.000 2.072 148 E HA -0.118 4.207 4.350 -0.042 0.000 0.191 148 E C 2.006 178.622 176.600 0.028 0.000 0.985 148 E CA 0.919 57.325 56.400 0.011 0.000 0.801 148 E CB -0.365 29.330 29.700 -0.007 0.000 0.750 148 E HN 0.723 nan 8.360 nan 0.000 0.452 149 I N 1.486 122.075 120.570 0.032 0.000 2.226 149 I HA -0.280 3.865 4.170 -0.042 0.000 0.245 149 I C 1.818 177.989 176.117 0.090 0.000 1.100 149 I CA 1.223 62.562 61.300 0.066 0.000 1.374 149 I CB -0.249 37.828 38.000 0.129 0.000 1.057 149 I HN -0.027 nan 8.210 nan 0.000 0.413 150 D N 0.398 120.872 120.400 0.122 0.000 2.123 150 D HA -0.209 4.406 4.640 -0.042 0.000 0.196 150 D C 2.186 178.531 176.300 0.075 0.000 0.992 150 D CA 1.061 55.121 54.000 0.100 0.000 0.833 150 D CB -0.311 40.556 40.800 0.112 0.000 0.954 150 D HN 0.211 nan 8.370 nan 0.000 0.455 151 R N 0.128 120.668 120.500 0.068 0.000 2.081 151 R HA -0.119 4.196 4.340 -0.042 0.000 0.235 151 R C 2.056 178.400 176.300 0.073 0.000 1.131 151 R CA 1.413 57.553 56.100 0.066 0.000 0.960 151 R CB -0.445 29.889 30.300 0.056 0.000 0.856 151 R HN 0.198 nan 8.270 nan 0.000 0.436 152 C N 0.168 119.509 119.300 0.067 0.000 2.446 152 C HA -0.011 4.424 4.460 -0.042 0.000 0.277 152 C C 2.556 177.595 174.990 0.083 0.000 1.275 152 C CA 0.413 59.475 59.018 0.073 0.000 1.727 152 C CB -0.721 27.051 27.740 0.054 0.000 2.010 152 C HN 0.522 nan 8.230 nan 0.000 0.486 153 I N 0.570 121.183 120.570 0.072 0.000 2.202 153 I HA -0.205 3.940 4.170 -0.042 0.000 0.242 153 I C 2.856 179.041 176.117 0.113 0.000 1.091 153 I CA 1.533 62.880 61.300 0.078 0.000 1.368 153 I CB -0.581 37.444 38.000 0.042 0.000 1.058 153 I HN 0.328 nan 8.210 nan 0.000 0.410 154 R N 0.633 121.196 120.500 0.105 0.000 2.083 154 R HA -0.190 4.125 4.340 -0.042 0.000 0.237 154 R C 2.221 178.615 176.300 0.157 0.000 1.137 154 R CA 2.334 58.515 56.100 0.135 0.000 0.951 154 R CB -0.428 29.937 30.300 0.108 0.000 0.851 154 R HN 0.244 nan 8.270 nan 0.000 0.434 155 T N 0.179 114.806 114.554 0.122 0.000 2.746 155 T HA -0.107 4.218 4.350 -0.042 0.000 0.267 155 T C 1.725 176.495 174.700 0.116 0.000 1.039 155 T CA 1.872 64.038 62.100 0.110 0.000 1.142 155 T CB -0.395 68.531 68.868 0.096 0.000 0.866 155 T HN 0.421 nan 8.240 nan 0.000 0.444 156 T N 0.919 115.552 114.554 0.131 0.000 2.665 156 T HA -0.163 4.162 4.350 -0.042 0.000 0.268 156 T C 1.625 176.416 174.700 0.153 0.000 1.035 156 T CA 1.525 63.705 62.100 0.135 0.000 1.151 156 T CB -0.466 68.490 68.868 0.147 0.000 0.862 156 T HN 0.465 nan 8.240 nan 0.000 0.438 157 Y N 1.842 122.181 120.300 0.065 0.000 2.243 157 Y HA -0.016 4.509 4.550 -0.042 0.000 0.293 157 Y C 2.423 178.366 175.900 0.073 0.000 1.124 157 Y CA 0.784 58.922 58.100 0.063 0.000 1.159 157 Y CB -0.390 38.106 38.460 0.060 0.000 1.008 157 Y HN 0.100 nan 8.280 nan 0.000 0.527 158 V N -2.063 117.873 119.914 0.037 0.000 2.591 158 V HA -0.094 4.001 4.120 -0.042 0.000 0.249 158 V C 1.904 177.996 176.094 -0.004 0.000 1.053 158 V CA 2.192 64.479 62.300 -0.021 0.000 1.068 158 V CB -1.443 30.439 31.823 0.099 0.000 0.689 158 V HN 0.550 nan 8.190 nan 0.000 0.462 159 T N -4.239 110.334 114.554 0.031 0.000 3.044 159 T HA 0.068 4.393 4.350 -0.042 0.000 0.250 159 T C 0.984 175.736 174.700 0.087 0.000 1.081 159 T CA 0.362 62.502 62.100 0.067 0.000 1.040 159 T CB -0.255 68.635 68.868 0.037 0.000 0.962 159 T HN 0.454 nan 8.240 nan 0.000 0.506 160 Q N 1.138 120.928 119.800 -0.016 0.000 2.439 160 Q HA -0.147 4.168 4.340 -0.042 0.000 0.325 160 Q C -0.550 175.400 176.000 -0.084 0.000 1.372 160 Q CA 0.868 56.622 55.803 -0.081 0.000 0.909 160 Q CB -1.326 27.266 28.738 -0.245 0.000 1.167 160 Q HN 0.730 nan 8.270 nan 0.000 0.418 161 R N -0.712 119.754 120.500 -0.056 0.000 2.808 161 R HA 0.564 4.879 4.340 -0.042 0.000 0.272 161 R C -2.600 173.729 176.300 0.047 0.000 0.995 161 R CA -2.139 53.909 56.100 -0.087 0.000 0.917 161 R CB 1.547 31.715 30.300 -0.219 0.000 1.217 161 R HN -0.128 nan 8.270 nan 0.000 0.471 162 P HA 0.091 nan 4.420 nan 0.000 0.269 162 P C -0.870 176.540 177.300 0.184 0.000 1.209 162 P CA -0.200 62.992 63.100 0.153 0.000 0.776 162 P CB 0.659 32.462 31.700 0.171 0.000 0.876 163 V N 2.971 122.995 119.914 0.184 0.000 2.789 163 V HA 0.323 4.418 4.120 -0.042 0.000 0.311 163 V C -1.047 175.182 176.094 0.226 0.000 1.073 163 V CA -0.641 61.772 62.300 0.189 0.000 0.921 163 V CB 1.883 33.791 31.823 0.142 0.000 1.009 163 V HN 0.395 nan 8.190 nan 0.000 0.426 164 Y N 5.084 125.437 120.300 0.089 0.000 2.331 164 Y HA 0.733 5.264 4.550 -0.031 0.000 0.338 164 Y C -0.797 175.094 175.900 -0.015 0.000 0.976 164 Y CA -0.734 57.392 58.100 0.042 0.000 1.137 164 Y CB 1.587 40.085 38.460 0.062 0.000 1.172 164 Y HN 0.564 nan 8.280 nan 0.000 0.478 165 L N 6.937 127.946 121.223 -0.357 0.000 2.377 165 L HA 0.692 5.007 4.340 -0.042 0.000 0.270 165 L C -0.435 176.181 176.870 -0.423 0.000 0.991 165 L CA -0.265 54.421 54.840 -0.257 0.000 0.851 165 L CB 1.144 43.123 42.059 -0.132 0.000 1.218 165 L HN 0.755 nan 8.230 nan 0.000 0.420 166 G N 5.765 114.362 108.800 -0.338 0.000 2.325 166 G HA2 0.553 4.488 3.960 -0.042 0.000 0.298 166 G HA3 0.553 4.488 3.960 -0.042 0.000 0.298 166 G C -0.980 173.837 174.900 -0.139 0.000 1.134 166 G CA -0.441 44.506 45.100 -0.254 0.000 0.876 166 G HN 0.559 nan 8.290 nan 0.000 0.452 167 L N 4.533 125.691 121.223 -0.108 0.000 2.353 167 L HA 0.289 4.604 4.340 -0.042 0.000 0.270 167 L C -2.301 174.536 176.870 -0.056 0.000 1.003 167 L CA -1.954 52.840 54.840 -0.077 0.000 0.862 167 L CB 2.620 44.636 42.059 -0.073 0.000 1.221 167 L HN 0.314 nan 8.230 nan 0.000 0.430 168 P HA 0.023 nan 4.420 nan 0.000 0.268 168 P C 0.520 177.790 177.300 -0.050 0.000 1.205 168 P CA 0.029 63.074 63.100 -0.091 0.000 0.771 168 P CB 1.161 32.792 31.700 -0.115 0.000 0.858 169 A N 4.376 127.181 122.820 -0.024 0.000 1.948 169 A HA -0.247 4.048 4.320 -0.042 0.000 0.220 169 A C 1.847 179.434 177.584 0.004 0.000 1.177 169 A CA 2.035 54.091 52.037 0.031 0.000 0.636 169 A CB -1.269 17.793 19.000 0.103 0.000 0.815 169 A HN 0.722 nan 8.150 nan 0.000 0.449 170 N N 0.452 119.139 118.700 -0.022 0.000 2.331 170 N HA -0.079 4.636 4.740 -0.042 0.000 0.180 170 N C 1.485 176.978 175.510 -0.030 0.000 1.019 170 N CA 1.391 54.426 53.050 -0.026 0.000 0.881 170 N CB -0.541 37.921 38.487 -0.041 0.000 0.972 170 N HN 0.526 nan 8.380 nan 0.000 0.435 171 L N 1.236 122.436 121.223 -0.039 0.000 2.395 171 L HA 0.023 4.337 4.340 -0.042 0.000 0.218 171 L C 2.428 179.276 176.870 -0.037 0.000 1.130 171 L CA 0.403 55.217 54.840 -0.045 0.000 0.826 171 L CB -0.267 41.757 42.059 -0.058 0.000 0.941 171 L HN 0.081 nan 8.230 nan 0.000 0.451 172 V N -3.779 116.122 119.914 -0.023 0.000 2.667 172 V HA -0.115 3.980 4.120 -0.042 0.000 0.252 172 V C 1.315 177.409 176.094 0.001 0.000 1.065 172 V CA 1.559 63.852 62.300 -0.011 0.000 1.083 172 V CB -0.349 31.477 31.823 0.006 0.000 0.692 172 V HN 0.333 nan 8.190 nan 0.000 0.468 173 D N 0.172 120.572 120.400 -0.001 0.000 2.398 173 D HA 0.327 4.942 4.640 -0.042 0.000 0.210 173 D C 0.696 176.993 176.300 -0.005 0.000 1.094 173 D CA 0.010 54.012 54.000 0.004 0.000 0.839 173 D CB 0.549 41.353 40.800 0.006 0.000 0.963 173 D HN 0.433 nan 8.370 nan 0.000 0.506 174 L N 1.081 122.294 121.223 -0.017 0.000 2.453 174 L HA 0.180 4.495 4.340 -0.042 0.000 0.261 174 L C 0.782 177.636 176.870 -0.026 0.000 1.179 174 L CA -0.379 54.446 54.840 -0.025 0.000 0.813 174 L CB 0.527 42.565 42.059 -0.036 0.000 1.110 174 L HN -0.218 nan 8.230 nan 0.000 0.466 175 N N 0.825 119.510 118.700 -0.026 0.000 2.509 175 N HA 0.511 5.226 4.740 -0.042 0.000 0.287 175 N C -0.755 174.729 175.510 -0.044 0.000 1.121 175 N CA -0.282 52.755 53.050 -0.022 0.000 0.977 175 N CB 2.290 40.771 38.487 -0.010 0.000 1.167 175 N HN 0.367 nan 8.380 nan 0.000 0.476 176 V N -1.116 118.771 119.914 -0.044 0.000 3.007 176 V HA 0.622 4.717 4.120 -0.042 0.000 0.311 176 V C -2.766 173.313 176.094 -0.025 0.000 1.120 176 V CA -2.619 59.633 62.300 -0.080 0.000 0.980 176 V CB 2.021 33.719 31.823 -0.209 0.000 1.033 176 V HN 0.367 nan 8.190 nan 0.000 0.429 177 P HA 0.178 nan 4.420 nan 0.000 0.257 177 P C 0.767 178.110 177.300 0.072 0.000 1.189 177 P CA 0.780 63.890 63.100 0.017 0.000 0.780 177 P CB 0.813 32.518 31.700 0.009 0.000 0.772 178 A N 6.138 129.002 122.820 0.074 0.000 2.070 178 A HA -0.198 4.097 4.320 -0.042 0.000 0.220 178 A C 1.905 179.540 177.584 0.085 0.000 1.159 178 A CA 1.163 53.259 52.037 0.098 0.000 0.656 178 A CB -0.766 18.273 19.000 0.066 0.000 0.800 178 A HN 0.532 nan 8.150 nan 0.000 0.453 179 K N 0.304 120.742 120.400 0.063 0.000 2.209 179 K HA -0.077 4.218 4.320 -0.042 0.000 0.204 179 K C 1.629 178.268 176.600 0.065 0.000 1.048 179 K CA 1.381 57.698 56.287 0.050 0.000 0.940 179 K CB -0.716 31.805 32.500 0.035 0.000 0.729 179 K HN 0.484 nan 8.250 nan 0.000 0.451 180 L N 1.148 122.433 121.223 0.104 0.000 2.127 180 L HA -0.154 4.161 4.340 -0.042 0.000 0.211 180 L C 2.475 179.418 176.870 0.122 0.000 1.089 180 L CA 1.037 55.962 54.840 0.141 0.000 0.757 180 L CB -0.560 41.635 42.059 0.227 0.000 0.899 180 L HN 0.113 nan 8.230 nan 0.000 0.434 181 L N -0.671 120.605 121.223 0.088 0.000 2.362 181 L HA -0.155 4.160 4.340 -0.042 0.000 0.219 181 L C 2.351 179.206 176.870 -0.026 0.000 1.134 181 L CA 0.456 55.272 54.840 -0.039 0.000 0.807 181 L CB -0.360 41.643 42.059 -0.094 0.000 0.927 181 L HN 0.347 nan 8.230 nan 0.000 0.447 182 Q N -0.761 119.043 119.800 0.007 0.000 2.451 182 Q HA 0.071 4.386 4.340 -0.042 0.000 0.206 182 Q C 0.356 176.358 176.000 0.005 0.000 0.947 182 Q CA 0.471 56.276 55.803 0.003 0.000 0.937 182 Q CB 0.023 28.768 28.738 0.011 0.000 1.025 182 Q HN 0.319 nan 8.270 nan 0.000 0.511 183 T N 3.406 117.967 114.554 0.012 0.000 2.756 183 T HA 0.405 4.730 4.350 -0.042 0.000 0.290 183 T C -2.448 172.255 174.700 0.006 0.000 0.985 183 T CA -1.456 60.652 62.100 0.013 0.000 0.955 183 T CB 1.664 70.547 68.868 0.025 0.000 0.930 183 T HN -0.049 nan 8.240 nan 0.000 0.451 184 P HA 0.268 nan 4.420 nan 0.000 0.272 184 P C 0.005 177.306 177.300 0.002 0.000 1.223 184 P CA -0.625 62.468 63.100 -0.012 0.000 0.784 184 P CB 0.450 32.143 31.700 -0.012 0.000 0.923 185 I N 1.160 121.727 120.570 -0.005 0.000 2.692 185 I HA -0.022 4.123 4.170 -0.042 0.000 0.284 185 I C 0.962 177.093 176.117 0.024 0.000 1.159 185 I CA 0.156 61.466 61.300 0.016 0.000 1.423 185 I CB 0.010 38.017 38.000 0.010 0.000 1.380 185 I HN 0.311 nan 8.210 nan 0.000 0.580 186 D N 7.249 127.675 120.400 0.044 0.000 2.346 186 D HA 0.092 4.707 4.640 -0.042 0.000 0.260 186 D C 0.277 176.627 176.300 0.083 0.000 1.252 186 D CA 0.085 54.120 54.000 0.059 0.000 0.895 186 D CB 0.778 41.616 40.800 0.064 0.000 1.097 186 D HN 0.290 nan 8.370 nan 0.000 0.489 187 M N 1.679 121.333 119.600 0.090 0.000 2.405 187 M HA 0.132 4.587 4.480 -0.042 0.000 0.292 187 M C -0.122 176.326 176.300 0.245 0.000 1.111 187 M CA -0.202 55.187 55.300 0.148 0.000 0.979 187 M CB -0.334 32.268 32.600 0.002 0.000 1.426 187 M HN 0.090 nan 8.290 nan 0.000 0.509 188 S N 1.018 116.831 115.700 0.188 0.000 2.565 188 S HA 0.633 5.078 4.470 -0.042 0.000 0.290 188 S C -0.089 174.642 174.600 0.217 0.000 1.150 188 S CA -0.720 57.608 58.200 0.213 0.000 1.058 188 S CB 1.910 65.215 63.200 0.174 0.000 1.032 188 S HN 0.140 nan 8.310 nan 0.000 0.510 189 L N 2.581 123.964 121.223 0.267 0.000 2.483 189 L HA 0.190 4.504 4.340 -0.042 0.000 0.276 189 L C 0.882 177.951 176.870 0.332 0.000 1.213 189 L CA 0.702 55.713 54.840 0.285 0.000 0.843 189 L CB 0.079 42.289 42.059 0.252 0.000 1.107 189 L HN 0.513 nan 8.230 nan 0.000 0.487 190 K N 3.431 123.977 120.400 0.244 0.000 2.298 190 K HA 0.244 4.538 4.320 -0.042 0.000 0.280 190 K C -2.150 174.548 176.600 0.165 0.000 1.032 190 K CA -1.557 54.821 56.287 0.151 0.000 0.958 190 K CB 0.541 33.104 32.500 0.105 0.000 0.978 190 K HN 0.341 nan 8.250 nan 0.000 0.472 191 P HA -0.043 nan 4.420 nan 0.000 0.268 191 P C -0.498 176.803 177.300 0.002 0.000 1.208 191 P CA -0.026 62.915 63.100 -0.264 0.000 0.777 191 P CB 0.447 31.970 31.700 -0.295 0.000 0.875 192 N N 1.063 119.806 118.700 0.072 0.000 2.399 192 N HA 0.008 4.722 4.740 -0.042 0.000 0.250 192 N C -0.106 175.438 175.510 0.056 0.000 1.272 192 N CA -0.016 53.105 53.050 0.117 0.000 0.928 192 N CB -0.088 38.490 38.487 0.152 0.000 1.158 192 N HN 0.501 nan 8.380 nan 0.000 0.463 193 D N -0.040 120.399 120.400 0.065 0.000 2.520 193 D HA 0.054 4.669 4.640 -0.042 0.000 0.243 193 D C 0.859 177.182 176.300 0.038 0.000 1.160 193 D CA -0.050 53.979 54.000 0.049 0.000 0.877 193 D CB 0.548 41.385 40.800 0.062 0.000 1.150 193 D HN 0.494 nan 8.370 nan 0.000 0.494 194 A N 4.364 127.197 122.820 0.022 0.000 1.930 194 A HA -0.178 4.117 4.320 -0.042 0.000 0.217 194 A C 1.941 179.534 177.584 0.015 0.000 1.175 194 A CA 1.132 53.175 52.037 0.011 0.000 0.627 194 A CB -0.349 18.652 19.000 0.002 0.000 0.815 194 A HN 0.766 nan 8.150 nan 0.000 0.443 195 E N -0.644 119.570 120.200 0.024 0.000 2.072 195 E HA -0.119 4.206 4.350 -0.042 0.000 0.190 195 E C 2.296 178.918 176.600 0.037 0.000 0.982 195 E CA 1.182 57.600 56.400 0.029 0.000 0.803 195 E CB -0.266 29.456 29.700 0.037 0.000 0.755 195 E HN 0.559 nan 8.360 nan 0.000 0.453 196 S N 0.731 116.466 115.700 0.058 0.000 2.368 196 S HA -0.196 4.249 4.470 -0.042 0.000 0.224 196 S C 1.968 176.553 174.600 -0.025 0.000 1.029 196 S CA 1.310 59.561 58.200 0.085 0.000 0.988 196 S CB -0.066 63.225 63.200 0.151 0.000 0.838 196 S HN 0.257 nan 8.310 nan 0.000 0.462 197 E N 0.615 120.806 120.200 -0.015 0.000 2.077 197 E HA -0.211 4.114 4.350 -0.042 0.000 0.193 197 E C 2.147 178.705 176.600 -0.071 0.000 0.989 197 E CA 1.181 57.554 56.400 -0.044 0.000 0.800 197 E CB -0.176 29.532 29.700 0.013 0.000 0.746 197 E HN 0.496 nan 8.360 nan 0.000 0.452 198 K N 0.715 121.091 120.400 -0.040 0.000 2.057 198 K HA -0.232 4.063 4.320 -0.042 0.000 0.207 198 K C 2.164 178.726 176.600 -0.064 0.000 1.049 198 K CA 1.700 57.965 56.287 -0.037 0.000 0.931 198 K CB -0.092 32.400 32.500 -0.013 0.000 0.714 198 K HN 0.110 nan 8.250 nan 0.000 0.440 199 E N 0.070 120.226 120.200 -0.072 0.000 2.051 199 E HA -0.178 4.147 4.350 -0.042 0.000 0.192 199 E C 1.863 178.332 176.600 -0.218 0.000 0.991 199 E CA 1.464 57.814 56.400 -0.083 0.000 0.799 199 E CB 0.087 29.791 29.700 0.007 0.000 0.748 199 E HN 0.142 nan 8.360 nan 0.000 0.449 200 V N 1.181 120.845 119.914 -0.418 0.000 2.287 200 V HA -0.289 3.806 4.120 -0.042 0.000 0.248 200 V C 2.402 178.334 176.094 -0.270 0.000 1.053 200 V CA 1.889 63.858 62.300 -0.552 0.000 1.027 200 V CB -0.422 31.021 31.823 -0.635 0.000 0.646 200 V HN 0.338 nan 8.190 nan 0.000 0.447 201 I N 0.030 120.501 120.570 -0.164 0.000 2.179 201 I HA -0.246 3.899 4.170 -0.042 0.000 0.242 201 I C 2.332 178.415 176.117 -0.057 0.000 1.088 201 I CA 1.731 62.985 61.300 -0.077 0.000 1.357 201 I CB -0.548 37.432 38.000 -0.033 0.000 1.051 201 I HN 0.313 nan 8.210 nan 0.000 0.409 202 D N 0.021 120.388 120.400 -0.056 0.000 2.123 202 D HA -0.213 4.402 4.640 -0.042 0.000 0.196 202 D C 2.192 178.475 176.300 -0.029 0.000 0.992 202 D CA 1.932 55.913 54.000 -0.031 0.000 0.833 202 D CB -0.504 40.283 40.800 -0.021 0.000 0.954 202 D HN 0.260 nan 8.370 nan 0.000 0.455 203 T N -0.046 114.477 114.554 -0.051 0.000 2.777 203 T HA -0.057 4.268 4.350 -0.042 0.000 0.266 203 T C 2.200 176.879 174.700 -0.035 0.000 1.040 203 T CA 0.587 62.667 62.100 -0.035 0.000 1.141 203 T CB -0.260 68.586 68.868 -0.037 0.000 0.868 203 T HN 0.061 nan 8.240 nan 0.000 0.444 204 I N 0.752 121.286 120.570 -0.061 0.000 2.163 204 I HA -0.153 3.992 4.170 -0.042 0.000 0.243 204 I C 2.428 178.551 176.117 0.011 0.000 1.085 204 I CA 1.282 62.562 61.300 -0.035 0.000 1.347 204 I CB -0.378 37.596 38.000 -0.044 0.000 1.044 204 I HN 0.276 nan 8.210 nan 0.000 0.408 205 L N 0.451 121.680 121.223 0.010 0.000 2.079 205 L HA -0.231 4.084 4.340 -0.042 0.000 0.210 205 L C 2.834 179.719 176.870 0.024 0.000 1.081 205 L CA 1.365 56.220 54.840 0.025 0.000 0.752 205 L CB -0.706 41.364 42.059 0.017 0.000 0.896 205 L HN 0.267 nan 8.230 nan 0.000 0.433 206 A N 0.037 122.864 122.820 0.012 0.000 1.902 206 A HA -0.153 4.142 4.320 -0.042 0.000 0.217 206 A C 2.234 179.824 177.584 0.010 0.000 1.181 206 A CA 1.363 53.407 52.037 0.012 0.000 0.623 206 A CB -0.646 18.359 19.000 0.008 0.000 0.818 206 A HN 0.356 nan 8.150 nan 0.000 0.443 207 L N -0.584 120.641 121.223 0.004 0.000 2.093 207 L HA -0.144 4.170 4.340 -0.042 0.000 0.208 207 L C 2.509 179.373 176.870 -0.009 0.000 1.085 207 L CA 0.863 55.699 54.840 -0.007 0.000 0.755 207 L CB -0.535 41.514 42.059 -0.016 0.000 0.904 207 L HN 0.237 nan 8.230 nan 0.000 0.435 208 V N 0.034 119.961 119.914 0.021 0.000 2.332 208 V HA -0.311 3.784 4.120 -0.042 0.000 0.248 208 V C 2.514 178.637 176.094 0.048 0.000 1.055 208 V CA 1.745 64.077 62.300 0.053 0.000 1.038 208 V CB -0.545 31.360 31.823 0.137 0.000 0.651 208 V HN 0.432 nan 8.190 nan 0.000 0.450 209 K N -0.166 120.263 120.400 0.047 0.000 2.044 209 K HA -0.230 4.065 4.320 -0.042 0.000 0.210 209 K C 1.653 178.272 176.600 0.032 0.000 1.049 209 K CA 1.852 58.168 56.287 0.047 0.000 0.927 209 K CB -0.322 32.200 32.500 0.035 0.000 0.713 209 K HN 0.455 nan 8.250 nan 0.000 0.443 210 D N -0.095 120.311 120.400 0.010 0.000 2.340 210 D HA 0.057 4.672 4.640 -0.042 0.000 0.220 210 D C -0.040 176.249 176.300 -0.019 0.000 1.039 210 D CA 0.202 54.202 54.000 0.000 0.000 0.866 210 D CB 0.215 41.012 40.800 -0.005 0.000 0.913 210 D HN 0.134 nan 8.370 nan 0.000 0.523 211 A N 0.606 123.398 122.820 -0.046 0.000 2.328 211 A HA 0.250 4.545 4.320 -0.042 0.000 0.284 211 A C 1.078 178.625 177.584 -0.061 0.000 1.160 211 A CA -0.284 51.691 52.037 -0.104 0.000 0.818 211 A CB 0.819 19.683 19.000 -0.226 0.000 1.087 211 A HN -0.085 nan 8.150 nan 0.000 0.504 212 K N 0.809 121.189 120.400 -0.033 0.000 2.335 212 K HA 0.050 4.345 4.320 -0.042 0.000 0.195 212 K C 0.139 176.789 176.600 0.084 0.000 1.058 212 K CA 0.420 56.737 56.287 0.051 0.000 0.988 212 K CB 0.346 32.862 32.500 0.025 0.000 0.880 212 K HN 0.638 nan 8.250 nan 0.000 0.513 213 N N 1.256 119.935 118.700 -0.035 0.000 2.765 213 N HA 0.151 4.866 4.740 -0.042 0.000 0.277 213 N C -2.986 172.394 175.510 -0.217 0.000 1.750 213 N CA -2.128 50.893 53.050 -0.047 0.000 0.827 213 N CB 0.897 39.365 38.487 -0.030 0.000 1.200 213 N HN -0.125 nan 8.380 nan 0.000 0.494 214 P HA 0.236 nan 4.420 nan 0.000 0.282 214 P C -0.504 176.521 177.300 -0.459 0.000 1.249 214 P CA -0.408 62.313 63.100 -0.632 0.000 0.806 214 P CB 1.608 32.527 31.700 -1.302 0.000 0.984 215 V N 0.275 120.033 119.914 -0.260 0.000 3.040 215 V HA 0.643 4.738 4.120 -0.042 0.000 0.312 215 V C -0.602 175.491 176.094 -0.002 0.000 1.115 215 V CA -1.169 61.098 62.300 -0.054 0.000 0.998 215 V CB 2.005 33.825 31.823 -0.005 0.000 1.042 215 V HN 0.304 nan 8.190 nan 0.000 0.433 216 I N 3.264 123.890 120.570 0.092 0.000 2.404 216 I HA 0.562 4.707 4.170 -0.042 0.000 0.293 216 I C -1.041 175.133 176.117 0.094 0.000 0.992 216 I CA -0.656 60.682 61.300 0.063 0.000 1.149 216 I CB 1.811 39.828 38.000 0.029 0.000 1.315 216 I HN 0.582 nan 8.210 nan 0.000 0.446 217 L N 7.105 128.361 121.223 0.054 0.000 2.372 217 L HA 0.728 5.043 4.340 -0.042 0.000 0.273 217 L C -0.403 176.515 176.870 0.080 0.000 0.989 217 L CA -0.247 54.648 54.840 0.093 0.000 0.841 217 L CB 1.336 43.427 42.059 0.054 0.000 1.225 217 L HN 0.641 nan 8.230 nan 0.000 0.414 218 A N 3.592 126.460 122.820 0.081 0.000 2.274 218 A HA 0.678 4.973 4.320 -0.042 0.000 0.309 218 A C -0.643 176.985 177.584 0.073 0.000 1.226 218 A CA -0.402 51.660 52.037 0.042 0.000 0.853 218 A CB 0.483 19.488 19.000 0.008 0.000 1.146 218 A HN 0.738 nan 8.150 nan 0.000 0.518 219 D N 1.236 121.671 120.400 0.057 0.000 2.727 219 D HA 0.642 5.257 4.640 -0.042 0.000 0.264 219 D C 1.443 177.758 176.300 0.025 0.000 1.101 219 D CA 0.236 54.278 54.000 0.070 0.000 1.122 219 D CB 1.709 42.578 40.800 0.115 0.000 1.390 219 D HN 0.406 nan 8.370 nan 0.000 0.606 220 A N -0.201 122.629 122.820 0.016 0.000 1.903 220 A HA -0.223 4.072 4.320 -0.042 0.000 0.219 220 A C 2.291 179.856 177.584 -0.032 0.000 1.191 220 A CA 2.193 54.217 52.037 -0.021 0.000 0.638 220 A CB -1.122 17.853 19.000 -0.042 0.000 0.823 220 A HN 0.641 nan 8.150 nan 0.000 0.451 221 C N -1.834 117.463 119.300 -0.006 0.000 2.481 221 C HA -0.015 4.420 4.460 -0.042 0.000 0.275 221 C C 2.803 177.827 174.990 0.057 0.000 1.419 221 C CA -0.028 59.028 59.018 0.063 0.000 1.773 221 C CB -2.135 25.695 27.740 0.149 0.000 1.862 221 C HN 0.804 nan 8.230 nan 0.000 0.530 222 C N 0.488 119.790 119.300 0.004 0.000 2.413 222 C HA -0.124 4.311 4.460 -0.042 0.000 0.276 222 C C 3.143 178.118 174.990 -0.025 0.000 1.248 222 C CA 2.176 61.178 59.018 -0.026 0.000 1.742 222 C CB -1.269 26.444 27.740 -0.045 0.000 2.017 222 C HN 0.647 nan 8.230 nan 0.000 0.481 223 S N -0.525 115.155 115.700 -0.033 0.000 2.356 223 S HA 0.009 4.454 4.470 -0.042 0.000 0.219 223 S C 2.183 176.769 174.600 -0.022 0.000 1.036 223 S CA 0.582 58.760 58.200 -0.037 0.000 0.965 223 S CB -0.392 62.758 63.200 -0.084 0.000 0.864 223 S HN 0.632 nan 8.310 nan 0.000 0.471 224 R N 0.679 121.140 120.500 -0.064 0.000 2.120 224 R HA 0.035 4.350 4.340 -0.042 0.000 0.234 224 R C 0.625 176.709 176.300 -0.360 0.000 1.123 224 R CA 1.003 56.996 56.100 -0.178 0.000 0.975 224 R CB -0.765 29.399 30.300 -0.227 0.000 0.866 224 R HN 0.582 nan 8.270 nan 0.000 0.446 225 H N 0.222 119.278 119.070 -0.024 0.000 2.490 225 H HA 0.066 4.597 4.556 -0.043 0.000 0.285 225 H C -0.433 174.852 175.328 -0.072 0.000 1.127 225 H CA -0.590 55.427 56.048 -0.052 0.000 0.993 225 H CB -0.138 29.605 29.762 -0.032 0.000 1.653 225 H HN 0.095 nan 8.280 nan 0.000 0.557 226 D N 1.119 121.516 120.400 -0.005 0.000 2.697 226 D HA -0.171 4.444 4.640 -0.042 0.000 0.235 226 D C 0.516 176.806 176.300 -0.016 0.000 1.167 226 D CA 0.837 54.834 54.000 -0.005 0.000 0.656 226 D CB -1.117 39.674 40.800 -0.015 0.000 1.025 226 D HN 0.343 nan 8.370 nan 0.000 0.419 227 V N -2.386 117.512 119.914 -0.027 0.000 3.070 227 V HA 0.332 4.427 4.120 -0.042 0.000 0.345 227 V C 1.734 177.787 176.094 -0.068 0.000 1.403 227 V CA -0.014 62.250 62.300 -0.060 0.000 1.155 227 V CB 0.426 32.194 31.823 -0.092 0.000 1.140 227 V HN 0.126 nan 8.190 nan 0.000 0.505 228 K N 1.605 121.979 120.400 -0.043 0.000 2.057 228 K HA 0.048 4.343 4.320 -0.042 0.000 0.207 228 K C 2.366 178.936 176.600 -0.050 0.000 1.049 228 K CA 1.851 58.109 56.287 -0.047 0.000 0.931 228 K CB -0.282 32.203 32.500 -0.023 0.000 0.714 228 K HN 0.618 nan 8.250 nan 0.000 0.440 229 A N 1.536 124.337 122.820 -0.032 0.000 1.858 229 A HA -0.221 4.074 4.320 -0.042 0.000 0.216 229 A C 1.956 179.510 177.584 -0.050 0.000 1.190 229 A CA 1.775 53.795 52.037 -0.029 0.000 0.617 229 A CB -0.479 18.517 19.000 -0.008 0.000 0.827 229 A HN 0.200 nan 8.150 nan 0.000 0.443 230 E N -1.059 119.104 120.200 -0.061 0.000 2.085 230 E HA -0.131 4.194 4.350 -0.042 0.000 0.194 230 E C 2.148 178.671 176.600 -0.129 0.000 0.994 230 E CA 1.665 58.014 56.400 -0.084 0.000 0.801 230 E CB -0.542 29.104 29.700 -0.091 0.000 0.743 230 E HN 0.603 nan 8.360 nan 0.000 0.453 231 T N -0.184 114.283 114.554 -0.146 0.000 2.857 231 T HA -0.138 4.186 4.350 -0.042 0.000 0.266 231 T C 1.801 176.406 174.700 -0.158 0.000 1.048 231 T CA 1.489 63.481 62.100 -0.180 0.000 1.139 231 T CB -0.126 68.640 68.868 -0.170 0.000 0.874 231 T HN 0.095 nan 8.240 nan 0.000 0.455 232 K N 0.075 120.401 120.400 -0.123 0.000 2.032 232 K HA -0.167 4.128 4.320 -0.042 0.000 0.209 232 K C 2.328 178.858 176.600 -0.116 0.000 1.048 232 K CA 1.438 57.656 56.287 -0.115 0.000 0.927 232 K CB -0.157 32.303 32.500 -0.066 0.000 0.712 232 K HN 0.059 nan 8.250 nan 0.000 0.441 233 K N 1.218 121.561 120.400 -0.096 0.000 2.155 233 K HA -0.080 4.215 4.320 -0.042 0.000 0.203 233 K C 2.007 178.533 176.600 -0.124 0.000 1.052 233 K CA 0.797 57.032 56.287 -0.086 0.000 0.948 233 K CB -0.554 31.907 32.500 -0.065 0.000 0.728 233 K HN 0.223 nan 8.250 nan 0.000 0.448 234 L N 0.702 121.832 121.223 -0.156 0.000 2.042 234 L HA -0.101 4.214 4.340 -0.042 0.000 0.210 234 L C 1.964 178.687 176.870 -0.245 0.000 1.076 234 L CA 1.618 56.339 54.840 -0.198 0.000 0.749 234 L CB -0.320 41.606 42.059 -0.221 0.000 0.893 234 L HN 0.160 nan 8.230 nan 0.000 0.432 235 I N -0.547 119.880 120.570 -0.238 0.000 2.226 235 I HA -0.261 3.884 4.170 -0.042 0.000 0.245 235 I C 2.071 178.047 176.117 -0.234 0.000 1.100 235 I CA 1.214 62.342 61.300 -0.286 0.000 1.374 235 I CB -0.582 37.184 38.000 -0.391 0.000 1.057 235 I HN 0.290 nan 8.210 nan 0.000 0.413 236 D N 0.976 121.288 120.400 -0.146 0.000 2.077 236 D HA -0.135 4.480 4.640 -0.042 0.000 0.193 236 D C 2.328 178.587 176.300 -0.068 0.000 0.989 236 D CA 1.401 55.390 54.000 -0.018 0.000 0.831 236 D CB -0.425 40.386 40.800 0.019 0.000 0.979 236 D HN 0.249 nan 8.370 nan 0.000 0.449 237 L N 0.085 121.241 121.223 -0.112 0.000 2.191 237 L HA -0.129 4.186 4.340 -0.042 0.000 0.212 237 L C 2.395 179.145 176.870 -0.200 0.000 1.103 237 L CA 0.980 55.747 54.840 -0.123 0.000 0.769 237 L CB -0.257 41.733 42.059 -0.116 0.000 0.908 237 L HN 0.067 nan 8.230 nan 0.000 0.438 238 T N -2.375 111.971 114.554 -0.347 0.000 3.039 238 T HA -0.019 4.306 4.350 -0.042 0.000 0.250 238 T C 0.828 175.164 174.700 -0.607 0.000 1.052 238 T CA 0.050 61.724 62.100 -0.710 0.000 1.125 238 T CB 0.235 68.428 68.868 -1.125 0.000 0.908 238 T HN 0.264 nan 8.240 nan 0.000 0.473 239 Q N 0.273 119.906 119.800 -0.279 0.000 2.468 239 Q HA -0.153 4.162 4.340 -0.042 0.000 0.256 239 Q C -0.738 175.359 176.000 0.162 0.000 0.984 239 Q CA 0.569 56.375 55.803 0.005 0.000 1.110 239 Q CB -2.211 26.617 28.738 0.150 0.000 1.527 239 Q HN 0.470 nan 8.270 nan 0.000 0.535 240 F N 0.767 120.661 119.950 -0.093 0.000 2.410 240 F HA 0.328 4.829 4.527 -0.042 0.000 0.334 240 F C -1.342 174.405 175.800 -0.088 0.000 1.134 240 F CA -2.830 55.066 58.000 -0.173 0.000 1.227 240 F CB -0.600 38.233 39.000 -0.278 0.000 1.194 240 F HN -0.190 nan 8.300 nan 0.000 0.571 241 P HA 0.235 nan 4.420 nan 0.000 0.265 241 P C -1.109 176.095 177.300 -0.161 0.000 1.193 241 P CA 0.080 63.141 63.100 -0.065 0.000 0.765 241 P CB 0.489 32.205 31.700 0.026 0.000 0.823 242 A N 3.425 125.998 122.820 -0.413 0.000 2.355 242 A HA 0.793 5.088 4.320 -0.042 0.000 0.317 242 A C -1.180 176.058 177.584 -0.576 0.000 1.094 242 A CA -0.378 51.490 52.037 -0.281 0.000 0.764 242 A CB 0.594 19.503 19.000 -0.151 0.000 1.230 242 A HN 0.368 nan 8.150 nan 0.000 0.448 243 F N 0.634 120.543 119.950 -0.068 0.000 2.620 243 F HA 0.737 5.239 4.527 -0.042 0.000 0.320 243 F C 0.063 175.892 175.800 0.047 0.000 1.069 243 F CA -0.822 57.123 58.000 -0.092 0.000 0.953 243 F CB 2.338 41.262 39.000 -0.127 0.000 1.322 243 F HN 0.477 nan 8.300 nan 0.000 0.479 244 V N 0.550 120.645 119.914 0.302 0.000 3.040 244 V HA 0.703 4.798 4.120 -0.042 0.000 0.312 244 V C -0.673 175.532 176.094 0.185 0.000 1.115 244 V CA -0.466 61.965 62.300 0.218 0.000 0.998 244 V CB 2.517 34.459 31.823 0.199 0.000 1.042 244 V HN 0.922 nan 8.190 nan 0.000 0.433 245 T N 2.560 117.197 114.554 0.138 0.000 2.927 245 T HA 0.508 4.833 4.350 -0.042 0.000 0.281 245 T C -2.074 172.643 174.700 0.028 0.000 0.998 245 T CA -1.652 60.516 62.100 0.112 0.000 1.019 245 T CB 1.414 70.363 68.868 0.136 0.000 1.061 245 T HN 0.472 nan 8.240 nan 0.000 0.518 246 P HA -0.098 nan 4.420 nan 0.000 0.215 246 P C 1.713 178.976 177.300 -0.062 0.000 1.157 246 P CA 1.206 64.254 63.100 -0.088 0.000 0.874 246 P CB -0.023 31.586 31.700 -0.153 0.000 0.790 247 M N -1.422 118.159 119.600 -0.031 0.000 2.296 247 M HA 0.004 4.459 4.480 -0.042 0.000 0.265 247 M C 1.625 177.917 176.300 -0.014 0.000 1.064 247 M CA 1.811 57.100 55.300 -0.018 0.000 1.109 247 M CB -0.466 32.131 32.600 -0.005 0.000 1.396 247 M HN -0.086 nan 8.290 nan 0.000 0.430 248 G N -0.218 108.580 108.800 -0.004 0.000 3.088 248 G HA2 0.020 3.954 3.960 -0.042 0.000 0.217 248 G HA3 0.020 3.954 3.960 -0.042 0.000 0.217 248 G C 0.301 175.184 174.900 -0.028 0.000 1.159 248 G CA -0.377 44.715 45.100 -0.014 0.000 0.760 248 G HN 0.273 nan 8.290 nan 0.000 0.550 249 K N 0.606 120.993 120.400 -0.023 0.000 2.484 249 K HA 0.339 4.634 4.320 -0.042 0.000 0.280 249 K C 1.373 178.004 176.600 0.051 0.000 1.013 249 K CA 0.986 57.258 56.287 -0.025 0.000 1.029 249 K CB 0.149 32.592 32.500 -0.095 0.000 0.902 249 K HN 0.230 nan 8.250 nan 0.000 0.481 250 G N 1.647 110.492 108.800 0.076 0.000 2.232 250 G HA2 -0.320 3.614 3.960 -0.042 0.000 0.226 250 G HA3 -0.320 3.614 3.960 -0.042 0.000 0.226 250 G C 0.787 175.636 174.900 -0.085 0.000 0.996 250 G CA 0.489 45.637 45.100 0.079 0.000 0.626 250 G HN 0.707 nan 8.290 nan 0.000 0.509 251 S N 0.108 115.748 115.700 -0.100 0.000 2.461 251 S HA 0.425 4.870 4.470 -0.042 0.000 0.228 251 S C 1.168 175.722 174.600 -0.077 0.000 1.005 251 S CA 0.883 59.019 58.200 -0.106 0.000 0.942 251 S CB -0.257 62.890 63.200 -0.089 0.000 0.776 251 S HN 1.604 nan 8.310 nan 0.000 0.514 252 I N -1.258 119.268 120.570 -0.073 0.000 2.646 252 I HA 0.593 4.738 4.170 -0.042 0.000 0.299 252 I C -1.652 174.380 176.117 -0.142 0.000 1.036 252 I CA -1.088 60.159 61.300 -0.088 0.000 1.074 252 I CB 1.534 39.501 38.000 -0.055 0.000 1.258 252 I HN -0.283 nan 8.210 nan 0.000 0.430 253 D N 4.607 124.933 120.400 -0.122 0.000 2.371 253 D HA 0.102 4.717 4.640 -0.042 0.000 0.256 253 D C 0.520 176.662 176.300 -0.263 0.000 1.193 253 D CA 0.257 54.184 54.000 -0.122 0.000 0.881 253 D CB 1.544 42.330 40.800 -0.022 0.000 1.143 253 D HN 0.626 nan 8.370 nan 0.000 0.473 254 E N 0.979 120.943 120.200 -0.393 0.000 2.481 254 E HA -0.070 4.255 4.350 -0.042 0.000 0.195 254 E C 0.859 177.295 176.600 -0.273 0.000 1.047 254 E CA 0.333 56.269 56.400 -0.774 0.000 0.867 254 E CB 0.385 29.659 29.700 -0.710 0.000 0.858 254 E HN 0.332 nan 8.360 nan 0.000 0.513 255 Q N -0.005 119.733 119.800 -0.103 0.000 2.319 255 Q HA 0.021 4.336 4.340 -0.042 0.000 0.202 255 Q C 0.272 176.284 176.000 0.020 0.000 0.896 255 Q CA 0.174 55.967 55.803 -0.017 0.000 0.942 255 Q CB 0.205 28.930 28.738 -0.023 0.000 1.083 255 Q HN 0.318 nan 8.270 nan 0.000 0.510 256 H N 2.345 121.396 119.070 -0.032 0.000 2.803 256 H HA 0.037 4.568 4.556 -0.042 0.000 0.330 256 H C -1.574 173.773 175.328 0.032 0.000 1.057 256 H CA -1.381 54.666 56.048 -0.001 0.000 1.458 256 H CB 1.457 31.216 29.762 -0.006 0.000 1.470 256 H HN -0.144 nan 8.280 nan 0.000 0.560 257 P HA -0.132 nan 4.420 nan 0.000 0.218 257 P C 1.065 178.443 177.300 0.128 0.000 1.146 257 P CA 1.129 64.230 63.100 0.002 0.000 0.813 257 P CB 0.391 32.034 31.700 -0.096 0.000 0.778 258 R N -2.444 118.265 120.500 0.349 0.000 2.317 258 R HA 0.107 4.422 4.340 -0.042 0.000 0.208 258 R C 0.443 176.745 176.300 0.004 0.000 0.914 258 R CA -0.385 55.817 56.100 0.171 0.000 1.060 258 R CB -1.139 29.265 30.300 0.174 0.000 1.015 258 R HN 0.322 nan 8.270 nan 0.000 0.498 259 Y N 0.552 120.821 120.300 -0.052 0.000 2.544 259 Y HA 0.241 4.765 4.550 -0.042 0.000 0.330 259 Y C 1.337 177.060 175.900 -0.295 0.000 1.136 259 Y CA 0.148 58.127 58.100 -0.201 0.000 1.417 259 Y CB 0.906 39.308 38.460 -0.098 0.000 1.229 259 Y HN 0.072 nan 8.280 nan 0.000 0.532 260 G N 2.730 110.744 108.800 -1.310 0.000 2.939 260 G HA2 0.466 4.401 3.960 -0.042 0.000 0.216 260 G HA3 0.466 4.401 3.960 -0.042 0.000 0.216 260 G C 0.349 174.793 174.900 -0.761 0.000 1.125 260 G CA 0.277 44.705 45.100 -1.121 0.000 0.766 260 G HN 1.359 nan 8.290 nan 0.000 0.541 261 G N -1.154 106.887 108.800 -1.264 0.000 2.316 261 G HA2 0.150 4.085 3.960 -0.042 0.000 0.349 261 G HA3 0.150 4.085 3.960 -0.042 0.000 0.349 261 G C -1.244 173.627 174.900 -0.048 0.000 1.274 261 G CA -0.338 44.473 45.100 -0.481 0.000 1.018 261 G HN 0.657 nan 8.290 nan 0.000 0.486 262 V N 1.131 121.098 119.914 0.088 0.000 2.348 262 V HA 0.480 4.575 4.120 -0.042 0.000 0.270 262 V C -0.200 175.969 176.094 0.125 0.000 1.037 262 V CA -0.454 61.916 62.300 0.116 0.000 0.872 262 V CB 0.895 32.733 31.823 0.026 0.000 1.002 262 V HN 0.812 nan 8.190 nan 0.000 0.464 263 Y N 5.452 125.756 120.300 0.008 0.000 2.327 263 Y HA 0.515 5.040 4.550 -0.042 0.000 0.336 263 Y C 0.294 176.169 175.900 -0.041 0.000 1.035 263 Y CA -0.574 57.471 58.100 -0.092 0.000 1.165 263 Y CB 1.456 39.788 38.460 -0.214 0.000 1.181 263 Y HN 0.363 nan 8.280 nan 0.000 0.494 264 V N 6.900 126.481 119.914 -0.555 0.000 2.792 264 V HA 0.356 4.451 4.120 -0.042 0.000 0.360 264 V C 0.934 176.732 176.094 -0.494 0.000 1.306 264 V CA -0.060 62.000 62.300 -0.400 0.000 1.245 264 V CB -0.342 31.379 31.823 -0.170 0.000 1.382 264 V HN 1.262 nan 8.190 nan 0.000 0.636 265 G N 2.694 110.846 108.800 -1.080 0.000 2.622 265 G HA2 -0.423 3.512 3.960 -0.042 0.000 0.307 265 G HA3 -0.423 3.512 3.960 -0.042 0.000 0.307 265 G C 1.212 175.953 174.900 -0.265 0.000 1.226 265 G CA 1.402 46.183 45.100 -0.532 0.000 0.997 265 G HN 0.993 nan 8.290 nan 0.000 0.551 266 T N -0.239 114.251 114.554 -0.106 0.000 3.035 266 T HA 0.252 4.577 4.350 -0.042 0.000 0.268 266 T C 2.322 176.986 174.700 -0.061 0.000 1.109 266 T CA 1.627 63.694 62.100 -0.055 0.000 1.119 266 T CB -0.068 68.788 68.868 -0.021 0.000 0.900 266 T HN 0.537 nan 8.240 nan 0.000 0.503 267 L N 1.495 122.667 121.223 -0.085 0.000 2.599 267 L HA 0.205 4.520 4.340 -0.042 0.000 0.230 267 L C 0.888 177.716 176.870 -0.070 0.000 1.141 267 L CA -0.322 54.480 54.840 -0.063 0.000 0.877 267 L CB -0.476 41.556 42.059 -0.044 0.000 1.009 267 L HN 0.188 nan 8.230 nan 0.000 0.447 268 S N 0.195 115.834 115.700 -0.100 0.000 2.584 268 S HA 0.103 4.548 4.470 -0.042 0.000 0.270 268 S C 0.385 174.971 174.600 -0.025 0.000 1.346 268 S CA -0.492 57.669 58.200 -0.066 0.000 1.018 268 S CB 0.567 63.736 63.200 -0.052 0.000 0.899 268 S HN 0.156 nan 8.310 nan 0.000 0.542 269 K N 2.138 122.534 120.400 -0.006 0.000 2.511 269 K HA -0.014 4.281 4.320 -0.042 0.000 0.280 269 K C -1.720 174.883 176.600 0.006 0.000 1.008 269 K CA -0.943 55.346 56.287 0.003 0.000 1.050 269 K CB -0.142 32.366 32.500 0.013 0.000 0.889 269 K HN 0.321 nan 8.250 nan 0.000 0.484 270 P HA -0.213 nan 4.420 nan 0.000 0.217 270 P C 0.616 177.918 177.300 0.004 0.000 1.151 270 P CA 1.397 64.499 63.100 0.003 0.000 0.849 270 P CB 0.221 31.922 31.700 0.003 0.000 0.787 271 E N -0.928 119.278 120.200 0.009 0.000 2.152 271 E HA -0.082 4.243 4.350 -0.042 0.000 0.192 271 E C 1.889 178.497 176.600 0.013 0.000 0.983 271 E CA 0.812 57.220 56.400 0.013 0.000 0.818 271 E CB -0.297 29.417 29.700 0.022 0.000 0.758 271 E HN 0.093 nan 8.360 nan 0.000 0.467 272 V N 1.628 121.554 119.914 0.020 0.000 2.379 272 V HA -0.225 3.870 4.120 -0.042 0.000 0.245 272 V C 2.388 178.415 176.094 -0.112 0.000 1.044 272 V CA 1.556 63.852 62.300 -0.006 0.000 1.036 272 V CB -0.398 31.464 31.823 0.066 0.000 0.664 272 V HN 0.185 nan 8.190 nan 0.000 0.453 273 K N -0.144 120.257 120.400 0.001 0.000 2.063 273 K HA -0.246 4.049 4.320 -0.042 0.000 0.208 273 K C 2.211 178.781 176.600 -0.051 0.000 1.048 273 K CA 1.708 58.030 56.287 0.058 0.000 0.928 273 K CB -0.083 32.451 32.500 0.056 0.000 0.713 273 K HN 0.330 nan 8.250 nan 0.000 0.442 274 E N 0.198 120.364 120.200 -0.057 0.000 2.107 274 E HA -0.096 4.229 4.350 -0.042 0.000 0.191 274 E C 1.868 178.399 176.600 -0.115 0.000 0.982 274 E CA 1.041 57.402 56.400 -0.064 0.000 0.809 274 E CB -0.155 29.526 29.700 -0.030 0.000 0.756 274 E HN 0.419 nan 8.360 nan 0.000 0.459 275 A N 0.638 123.375 122.820 -0.140 0.000 1.902 275 A HA -0.141 4.154 4.320 -0.042 0.000 0.217 275 A C 2.564 179.956 177.584 -0.321 0.000 1.181 275 A CA 1.559 53.514 52.037 -0.137 0.000 0.623 275 A CB -0.566 18.447 19.000 0.021 0.000 0.818 275 A HN 0.146 nan 8.150 nan 0.000 0.443 276 V N -0.077 119.460 119.914 -0.627 0.000 2.283 276 V HA -0.196 3.899 4.120 -0.042 0.000 0.243 276 V C 2.253 178.060 176.094 -0.479 0.000 1.039 276 V CA 2.090 63.916 62.300 -0.790 0.000 1.016 276 V CB -0.792 30.212 31.823 -1.365 0.000 0.650 276 V HN 0.635 nan 8.190 nan 0.000 0.449 277 E N 0.691 120.700 120.200 -0.318 0.000 2.347 277 E HA -0.102 4.223 4.350 -0.042 0.000 0.196 277 E C 2.051 178.592 176.600 -0.097 0.000 1.008 277 E CA 1.131 57.455 56.400 -0.127 0.000 0.852 277 E CB -0.098 29.596 29.700 -0.011 0.000 0.783 277 E HN 0.711 nan 8.360 nan 0.000 0.505 278 S N 0.296 115.925 115.700 -0.118 0.000 2.593 278 S HA 0.251 4.696 4.470 -0.042 0.000 0.217 278 S C 0.936 175.476 174.600 -0.100 0.000 0.966 278 S CA -0.221 57.929 58.200 -0.082 0.000 0.914 278 S CB 0.184 63.348 63.200 -0.060 0.000 0.776 278 S HN 0.182 nan 8.310 nan 0.000 0.523 279 A N 2.624 125.352 122.820 -0.153 0.000 2.483 279 A HA 0.336 4.631 4.320 -0.042 0.000 0.238 279 A C 0.936 178.429 177.584 -0.151 0.000 1.070 279 A CA 0.219 52.154 52.037 -0.171 0.000 0.770 279 A CB 0.121 18.974 19.000 -0.245 0.000 1.008 279 A HN 0.559 nan 8.150 nan 0.000 0.497 280 D N 0.026 120.339 120.400 -0.144 0.000 2.363 280 D HA 0.304 4.919 4.640 -0.042 0.000 0.214 280 D C -0.311 175.904 176.300 -0.142 0.000 1.093 280 D CA -0.015 53.913 54.000 -0.119 0.000 0.837 280 D CB 0.092 40.841 40.800 -0.085 0.000 0.948 280 D HN 0.276 nan 8.370 nan 0.000 0.507 281 L N 0.113 121.220 121.223 -0.194 0.000 2.641 281 L HA 0.453 4.768 4.340 -0.042 0.000 0.261 281 L C -2.107 174.625 176.870 -0.229 0.000 0.926 281 L CA -0.676 54.049 54.840 -0.192 0.000 0.917 281 L CB 1.943 43.880 42.059 -0.202 0.000 1.361 281 L HN -0.058 nan 8.230 nan 0.000 0.417 282 I N 5.827 126.264 120.570 -0.221 0.000 2.389 282 I HA 0.395 4.540 4.170 -0.042 0.000 0.288 282 I C -0.693 175.364 176.117 -0.100 0.000 0.999 282 I CA -0.582 60.568 61.300 -0.250 0.000 1.129 282 I CB 1.677 39.378 38.000 -0.498 0.000 1.288 282 I HN 0.458 nan 8.210 nan 0.000 0.444 283 L N 5.763 126.977 121.223 -0.016 0.000 2.287 283 L HA 0.304 4.619 4.340 -0.042 0.000 0.280 283 L C 0.346 177.291 176.870 0.126 0.000 1.055 283 L CA -0.130 54.800 54.840 0.150 0.000 0.863 283 L CB 0.964 43.135 42.059 0.187 0.000 1.245 283 L HN 0.552 nan 8.230 nan 0.000 0.432 284 S N 3.200 119.002 115.700 0.171 0.000 2.410 284 S HA 0.422 4.867 4.470 -0.042 0.000 0.304 284 S C -0.253 174.443 174.600 0.159 0.000 1.095 284 S CA -0.550 57.729 58.200 0.131 0.000 1.089 284 S CB 0.715 63.995 63.200 0.134 0.000 0.968 284 S HN 0.291 nan 8.310 nan 0.000 0.480 285 V N 5.229 125.169 119.914 0.044 0.000 2.304 285 V HA 0.601 4.696 4.120 -0.042 0.000 0.269 285 V C 1.085 177.153 176.094 -0.044 0.000 1.036 285 V CA 0.101 62.372 62.300 -0.048 0.000 0.840 285 V CB 0.048 31.751 31.823 -0.199 0.000 1.036 285 V HN 1.231 nan 8.190 nan 0.000 0.466 286 G N 4.155 112.889 108.800 -0.110 0.000 2.291 286 G HA2 -0.011 3.924 3.960 -0.042 0.000 0.271 286 G HA3 -0.011 3.924 3.960 -0.042 0.000 0.271 286 G C 0.293 175.214 174.900 0.035 0.000 1.099 286 G CA -0.107 44.958 45.100 -0.058 0.000 0.919 286 G HN 1.430 nan 8.290 nan 0.000 0.496 287 A N -0.285 122.566 122.820 0.052 0.000 2.540 287 A HA 0.595 4.890 4.320 -0.042 0.000 0.239 287 A C 0.515 178.225 177.584 0.210 0.000 1.061 287 A CA 0.835 52.987 52.037 0.191 0.000 0.758 287 A CB 0.620 19.773 19.000 0.256 0.000 0.991 287 A HN 1.613 nan 8.150 nan 0.000 0.502 288 L N 3.674 124.971 121.223 0.124 0.000 2.563 288 L HA 0.331 4.646 4.340 -0.042 0.000 0.259 288 L C -0.911 175.988 176.870 0.049 0.000 1.034 288 L CA -0.383 54.502 54.840 0.074 0.000 0.899 288 L CB 0.729 42.798 42.059 0.017 0.000 1.159 288 L HN 0.717 nan 8.230 nan 0.000 0.456 289 L N 3.443 124.687 121.223 0.036 0.000 2.648 289 L HA 0.237 4.551 4.340 -0.042 0.000 0.238 289 L C 0.992 177.919 176.870 0.096 0.000 1.316 289 L CA -0.185 54.639 54.840 -0.026 0.000 1.241 289 L CB -0.095 41.892 42.059 -0.120 0.000 1.499 289 L HN 0.626 nan 8.230 nan 0.000 0.411 290 S N -1.724 114.012 115.700 0.059 0.000 2.608 290 S HA 0.032 4.477 4.470 -0.042 0.000 0.261 290 S C 1.179 175.697 174.600 -0.137 0.000 1.314 290 S CA -0.276 57.967 58.200 0.071 0.000 0.992 290 S CB 1.193 64.396 63.200 0.005 0.000 0.935 290 S HN 0.552 nan 8.310 nan 0.000 0.564 291 D N 1.498 121.707 120.400 -0.318 0.000 2.103 291 D HA -0.223 4.392 4.640 -0.042 0.000 0.190 291 D C 1.455 177.598 176.300 -0.261 0.000 0.997 291 D CA 1.500 55.061 54.000 -0.733 0.000 0.833 291 D CB -0.763 39.687 40.800 -0.585 0.000 0.961 291 D HN 0.510 nan 8.370 nan 0.000 0.447 292 F N 0.579 120.419 119.950 -0.183 0.000 2.365 292 F HA 0.045 4.548 4.527 -0.040 0.000 0.300 292 F C 2.073 177.769 175.800 -0.172 0.000 1.090 292 F CA 0.301 58.236 58.000 -0.109 0.000 1.408 292 F CB -1.393 37.564 39.000 -0.073 0.000 1.060 292 F HN 0.023 nan 8.300 nan 0.000 0.534 293 N N -0.785 117.924 118.700 0.014 0.000 2.550 293 N HA -0.091 4.624 4.740 -0.042 0.000 0.186 293 N C 1.116 176.604 175.510 -0.036 0.000 1.110 293 N CA 1.074 54.107 53.050 -0.028 0.000 0.912 293 N CB 0.019 38.497 38.487 -0.014 0.000 0.968 293 N HN 0.056 nan 8.380 nan 0.000 0.448 294 T N -1.999 112.501 114.554 -0.090 0.000 3.326 294 T HA 0.247 4.572 4.350 -0.042 0.000 0.302 294 T C 0.231 174.854 174.700 -0.128 0.000 0.908 294 T CA 0.270 62.300 62.100 -0.116 0.000 0.933 294 T CB -0.133 68.571 68.868 -0.273 0.000 1.194 294 T HN 0.203 nan 8.240 nan 0.000 0.585 295 G N 1.944 110.682 108.800 -0.104 0.000 2.323 295 G HA2 -0.249 3.686 3.960 -0.042 0.000 0.292 295 G HA3 -0.249 3.686 3.960 -0.042 0.000 0.292 295 G C 0.325 175.134 174.900 -0.152 0.000 1.040 295 G CA 0.478 45.529 45.100 -0.082 0.000 0.942 295 G HN 0.916 nan 8.290 nan 0.000 0.506 296 S N -1.732 113.770 115.700 -0.330 0.000 3.711 296 S HA -0.227 4.217 4.470 -0.042 0.000 0.374 296 S C 0.997 175.339 174.600 -0.430 0.000 0.969 296 S CA 1.195 59.047 58.200 -0.580 0.000 1.198 296 S CB -1.875 61.206 63.200 -0.198 0.000 0.903 296 S HN 2.041 nan 8.310 nan 0.000 0.493 297 F N -1.711 118.200 119.950 -0.066 0.000 3.030 297 F HA -0.250 4.252 4.527 -0.042 0.000 0.309 297 F C 1.102 176.856 175.800 -0.076 0.000 0.941 297 F CA 0.528 58.455 58.000 -0.121 0.000 1.082 297 F CB -2.408 36.530 39.000 -0.103 0.000 1.113 297 F HN 0.552 nan 8.300 nan 0.000 0.716 298 S N -2.659 113.066 115.700 0.043 0.000 2.554 298 S HA 0.223 4.668 4.470 -0.042 0.000 0.226 298 S C 0.317 175.003 174.600 0.144 0.000 0.980 298 S CA -0.449 57.794 58.200 0.071 0.000 0.939 298 S CB 0.002 63.212 63.200 0.017 0.000 0.832 298 S HN 0.269 nan 8.310 nan 0.000 0.486 299 Y N 2.477 122.721 120.300 -0.093 0.000 2.702 299 Y HA 0.360 4.886 4.550 -0.041 0.000 0.336 299 Y C 1.067 176.902 175.900 -0.107 0.000 1.235 299 Y CA -0.832 57.198 58.100 -0.116 0.000 1.492 299 Y CB 0.486 38.761 38.460 -0.308 0.000 1.308 299 Y HN 0.304 nan 8.280 nan 0.000 0.589 300 S N 4.481 120.236 115.700 0.091 0.000 2.300 300 S HA 0.336 4.781 4.470 -0.042 0.000 0.172 300 S C -1.002 173.684 174.600 0.143 0.000 1.484 300 S CA -0.526 57.720 58.200 0.077 0.000 1.265 300 S CB -0.720 62.525 63.200 0.075 0.000 1.313 300 S HN 0.516 nan 8.310 nan 0.000 0.387 301 Y N 1.900 122.245 120.300 0.075 0.000 2.712 301 Y HA 0.083 4.608 4.550 -0.042 0.000 0.333 301 Y C 1.403 177.303 175.900 -0.000 0.000 1.225 301 Y CA -0.407 57.694 58.100 0.003 0.000 1.499 301 Y CB 0.599 39.073 38.460 0.023 0.000 1.288 301 Y HN 0.268 nan 8.280 nan 0.000 0.575 302 K N 2.149 122.627 120.400 0.130 0.000 2.514 302 K HA 0.139 4.434 4.320 -0.042 0.000 0.207 302 K C -0.156 176.460 176.600 0.026 0.000 1.035 302 K CA 0.025 56.349 56.287 0.060 0.000 1.113 302 K CB 0.216 32.731 32.500 0.025 0.000 0.846 302 K HN 0.679 nan 8.250 nan 0.000 0.491 303 T N -3.094 111.476 114.554 0.028 0.000 2.906 303 T HA 0.429 4.754 4.350 -0.042 0.000 0.295 303 T C 0.652 175.367 174.700 0.025 0.000 1.061 303 T CA -0.867 61.230 62.100 -0.006 0.000 1.000 303 T CB 2.242 71.070 68.868 -0.067 0.000 1.103 303 T HN -0.117 nan 8.240 nan 0.000 0.486 304 K N 0.501 120.911 120.400 0.017 0.000 2.418 304 K HA 0.116 4.411 4.320 -0.042 0.000 0.195 304 K C 0.323 176.930 176.600 0.012 0.000 1.035 304 K CA 0.091 56.396 56.287 0.030 0.000 1.003 304 K CB 0.078 32.592 32.500 0.023 0.000 0.793 304 K HN 0.436 nan 8.250 nan 0.000 0.494 305 N N 1.972 120.659 118.700 -0.021 0.000 2.968 305 N HA 0.133 4.848 4.740 -0.042 0.000 0.271 305 N C -0.826 174.647 175.510 -0.061 0.000 1.174 305 N CA 0.406 53.433 53.050 -0.037 0.000 1.096 305 N CB 0.161 38.615 38.487 -0.054 0.000 1.403 305 N HN 0.127 nan 8.380 nan 0.000 0.522 306 I N 0.714 121.267 120.570 -0.027 0.000 2.378 306 I HA 0.289 4.433 4.170 -0.042 0.000 0.291 306 I C -0.117 175.991 176.117 -0.015 0.000 0.992 306 I CA -0.974 60.307 61.300 -0.032 0.000 1.154 306 I CB 1.966 39.993 38.000 0.046 0.000 1.315 306 I HN -0.166 nan 8.210 nan 0.000 0.448 307 V N 5.976 125.866 119.914 -0.040 0.000 2.357 307 V HA 0.286 4.381 4.120 -0.042 0.000 0.284 307 V C -0.137 175.891 176.094 -0.109 0.000 1.018 307 V CA -0.645 61.586 62.300 -0.115 0.000 0.841 307 V CB 1.222 32.942 31.823 -0.173 0.000 0.991 307 V HN 0.681 nan 8.190 nan 0.000 0.437 308 E N 4.795 124.918 120.200 -0.127 0.000 2.109 308 E HA 0.433 4.758 4.350 -0.042 0.000 0.278 308 E C -1.259 175.151 176.600 -0.317 0.000 0.954 308 E CA -0.350 55.976 56.400 -0.123 0.000 0.779 308 E CB 1.438 31.168 29.700 0.050 0.000 1.093 308 E HN 0.530 nan 8.360 nan 0.000 0.401 309 F N 3.200 122.961 119.950 -0.315 0.000 2.411 309 F HA 0.243 4.745 4.527 -0.042 0.000 0.355 309 F C 0.894 176.373 175.800 -0.535 0.000 1.117 309 F CA -0.280 57.541 58.000 -0.298 0.000 1.139 309 F CB 0.654 39.536 39.000 -0.196 0.000 1.120 309 F HN 0.372 nan 8.300 nan 0.000 0.493 310 H N 0.248 119.248 119.070 -0.118 0.000 2.797 310 H HA 0.168 4.700 4.556 -0.040 0.000 0.372 310 H C 0.812 176.044 175.328 -0.160 0.000 1.168 310 H CA -0.222 55.709 56.048 -0.195 0.000 1.163 310 H CB 2.092 31.563 29.762 -0.485 0.000 1.778 310 H HN 0.563 nan 8.280 nan 0.000 0.551 311 S N 0.217 115.879 115.700 -0.062 0.000 2.400 311 S HA -0.188 4.257 4.470 -0.042 0.000 0.232 311 S C 0.909 175.447 174.600 -0.104 0.000 1.025 311 S CA 1.838 59.919 58.200 -0.197 0.000 0.993 311 S CB -0.078 62.714 63.200 -0.680 0.000 0.808 311 S HN 0.748 nan 8.310 nan 0.000 0.478 312 D N 0.269 120.668 120.400 -0.001 0.000 2.500 312 D HA 0.104 4.719 4.640 -0.042 0.000 0.217 312 D C 0.540 176.966 176.300 0.211 0.000 1.159 312 D CA -0.083 53.967 54.000 0.084 0.000 0.828 312 D CB -0.256 40.591 40.800 0.078 0.000 1.039 312 D HN 0.750 nan 8.370 nan 0.000 0.512 313 H N -2.322 116.791 119.070 0.072 0.000 2.932 313 H HA 0.513 5.045 4.556 -0.041 0.000 0.307 313 H C -1.566 173.849 175.328 0.145 0.000 1.391 313 H CA -0.931 55.178 56.048 0.102 0.000 1.130 313 H CB 0.633 30.438 29.762 0.072 0.000 1.836 313 H HN -0.228 nan 8.280 nan 0.000 0.522 314 M N 1.230 120.920 119.600 0.151 0.000 2.591 314 M HA 0.435 4.890 4.480 -0.042 0.000 0.306 314 M C -0.573 175.887 176.300 0.267 0.000 1.190 314 M CA -0.602 54.726 55.300 0.046 0.000 0.889 314 M CB 2.626 35.195 32.600 -0.052 0.000 1.728 314 M HN 0.705 nan 8.290 nan 0.000 0.458 315 K N 2.205 122.700 120.400 0.159 0.000 2.397 315 K HA 0.756 5.051 4.320 -0.042 0.000 0.253 315 K C -1.757 174.914 176.600 0.119 0.000 0.932 315 K CA -0.417 55.997 56.287 0.213 0.000 0.795 315 K CB 1.809 34.435 32.500 0.211 0.000 1.159 315 K HN 0.710 nan 8.250 nan 0.000 0.424 316 I N 5.637 126.322 120.570 0.191 0.000 2.439 316 I HA 0.334 4.479 4.170 -0.042 0.000 0.285 316 I C 0.543 176.718 176.117 0.096 0.000 1.021 316 I CA -0.735 60.630 61.300 0.110 0.000 1.091 316 I CB 1.559 39.642 38.000 0.139 0.000 1.242 316 I HN 0.873 nan 8.210 nan 0.000 0.439 317 R N 3.428 123.962 120.500 0.056 0.000 3.883 317 R HA -0.273 4.042 4.340 -0.042 0.000 0.407 317 R C 0.471 176.804 176.300 0.054 0.000 0.242 317 R CA 1.877 58.006 56.100 0.050 0.000 1.306 317 R CB -0.844 29.479 30.300 0.038 0.000 0.973 317 R HN 0.658 nan 8.270 nan 0.000 0.574 318 N N 1.313 120.033 118.700 0.034 0.000 2.280 318 N HA 0.190 4.905 4.740 -0.042 0.000 0.192 318 N C -0.356 175.143 175.510 -0.019 0.000 1.109 318 N CA 0.666 53.725 53.050 0.015 0.000 0.855 318 N CB 0.875 39.364 38.487 0.003 0.000 0.974 318 N HN 0.411 nan 8.380 nan 0.000 0.482 319 A N 0.940 123.747 122.820 -0.021 0.000 2.320 319 A HA 0.449 4.744 4.320 -0.042 0.000 0.287 319 A C 0.214 177.683 177.584 -0.192 0.000 1.181 319 A CA -0.026 51.916 52.037 -0.159 0.000 0.831 319 A CB 0.444 19.343 19.000 -0.169 0.000 1.102 319 A HN -0.046 nan 8.150 nan 0.000 0.513 320 T N 2.425 116.804 114.554 -0.293 0.000 2.829 320 T HA 0.541 4.866 4.350 -0.042 0.000 0.282 320 T C -0.875 173.578 174.700 -0.411 0.000 0.990 320 T CA 0.273 62.276 62.100 -0.161 0.000 1.028 320 T CB 0.174 69.001 68.868 -0.068 0.000 0.951 320 T HN 0.343 nan 8.240 nan 0.000 0.460 321 F N 4.656 124.649 119.950 0.071 0.000 2.451 321 F HA 0.314 4.816 4.527 -0.042 0.000 0.367 321 F C -2.035 173.817 175.800 0.087 0.000 1.100 321 F CA -2.596 55.437 58.000 0.056 0.000 1.171 321 F CB 0.886 39.907 39.000 0.035 0.000 1.405 321 F HN 0.264 nan 8.300 nan 0.000 0.482 322 P HA 0.138 nan 4.420 nan 0.000 0.268 322 P C 0.945 178.330 177.300 0.141 0.000 1.204 322 P CA 0.780 63.950 63.100 0.116 0.000 0.768 322 P CB 1.224 32.937 31.700 0.022 0.000 0.842 323 G N 1.522 110.409 108.800 0.145 0.000 2.212 323 G HA2 -0.235 3.700 3.960 -0.042 0.000 0.266 323 G HA3 -0.235 3.700 3.960 -0.042 0.000 0.266 323 G C 0.034 175.015 174.900 0.135 0.000 0.978 323 G CA 0.050 45.224 45.100 0.123 0.000 0.632 323 G HN 0.538 nan 8.290 nan 0.000 0.537 324 V N 1.962 121.971 119.914 0.159 0.000 2.405 324 V HA 0.338 4.433 4.120 -0.042 0.000 0.264 324 V C 0.670 176.820 176.094 0.094 0.000 1.048 324 V CA 0.139 62.513 62.300 0.123 0.000 0.966 324 V CB 1.137 33.016 31.823 0.093 0.000 1.015 324 V HN 0.472 nan 8.190 nan 0.000 0.477 325 Q N 4.724 124.578 119.800 0.091 0.000 2.279 325 Q HA 0.312 4.627 4.340 -0.042 0.000 0.256 325 Q C 1.300 177.289 176.000 -0.018 0.000 0.937 325 Q CA -0.326 55.488 55.803 0.017 0.000 0.933 325 Q CB 1.587 30.312 28.738 -0.020 0.000 1.189 325 Q HN 0.872 nan 8.270 nan 0.000 0.417 326 M N 1.152 120.740 119.600 -0.021 0.000 2.279 326 M HA -0.162 4.293 4.480 -0.042 0.000 0.264 326 M C 1.593 177.876 176.300 -0.029 0.000 1.062 326 M CA 1.608 56.946 55.300 0.063 0.000 1.099 326 M CB -0.225 32.453 32.600 0.130 0.000 1.394 326 M HN 0.386 nan 8.290 nan 0.000 0.426 327 K N 1.185 121.449 120.400 -0.228 0.000 2.009 327 K HA -0.122 4.173 4.320 -0.042 0.000 0.210 327 K C 1.317 177.769 176.600 -0.247 0.000 1.049 327 K CA 2.180 58.252 56.287 -0.359 0.000 0.929 327 K CB -0.436 31.647 32.500 -0.695 0.000 0.714 327 K HN 0.442 nan 8.250 nan 0.000 0.440 328 F N -0.058 119.917 119.950 0.041 0.000 2.234 328 F HA 0.017 4.519 4.527 -0.042 0.000 0.296 328 F C 2.195 178.016 175.800 0.035 0.000 1.089 328 F CA 0.363 58.382 58.000 0.033 0.000 1.343 328 F CB -0.925 38.092 39.000 0.028 0.000 1.040 328 F HN -0.178 nan 8.300 nan 0.000 0.498 329 V N 0.588 120.614 119.914 0.187 0.000 2.282 329 V HA -0.312 3.783 4.120 -0.042 0.000 0.249 329 V C 2.494 178.682 176.094 0.157 0.000 1.057 329 V CA 1.800 64.187 62.300 0.146 0.000 1.032 329 V CB -0.883 31.014 31.823 0.124 0.000 0.645 329 V HN 0.302 nan 8.190 nan 0.000 0.447 330 L N -0.781 120.523 121.223 0.135 0.000 2.046 330 L HA -0.231 4.084 4.340 -0.042 0.000 0.208 330 L C 2.736 179.623 176.870 0.028 0.000 1.077 330 L CA 1.643 56.506 54.840 0.038 0.000 0.747 330 L CB -0.559 41.443 42.059 -0.096 0.000 0.896 330 L HN 0.374 nan 8.230 nan 0.000 0.432 331 Q N -0.090 119.749 119.800 0.065 0.000 2.050 331 Q HA -0.237 4.078 4.340 -0.042 0.000 0.202 331 Q C 2.181 178.220 176.000 0.065 0.000 0.980 331 Q CA 1.584 57.432 55.803 0.076 0.000 0.840 331 Q CB -0.031 28.796 28.738 0.149 0.000 0.898 331 Q HN 0.452 nan 8.270 nan 0.000 0.424 332 K N 0.266 120.715 120.400 0.083 0.000 2.228 332 K HA -0.008 4.286 4.320 -0.042 0.000 0.202 332 K C 2.029 178.652 176.600 0.039 0.000 1.051 332 K CA 0.415 56.735 56.287 0.055 0.000 0.960 332 K CB 0.080 32.614 32.500 0.057 0.000 0.743 332 K HN 0.181 nan 8.250 nan 0.000 0.458 333 L N 0.990 122.241 121.223 0.048 0.000 2.083 333 L HA -0.149 4.166 4.340 -0.042 0.000 0.209 333 L C 1.991 178.866 176.870 0.009 0.000 1.083 333 L CA 1.042 55.904 54.840 0.038 0.000 0.752 333 L CB -0.235 41.866 42.059 0.069 0.000 0.899 333 L HN 0.221 nan 8.230 nan 0.000 0.433 334 L N -0.837 120.385 121.223 -0.002 0.000 2.549 334 L HA -0.166 4.149 4.340 -0.042 0.000 0.230 334 L C 2.140 179.002 176.870 -0.014 0.000 1.162 334 L CA 0.770 55.597 54.840 -0.022 0.000 0.834 334 L CB -0.647 41.397 42.059 -0.025 0.000 0.947 334 L HN 0.299 nan 8.230 nan 0.000 0.452 335 T N -1.051 113.502 114.554 -0.001 0.000 2.976 335 T HA -0.011 4.313 4.350 -0.042 0.000 0.257 335 T C 1.318 176.017 174.700 -0.002 0.000 1.051 335 T CA 1.180 63.280 62.100 0.000 0.000 1.141 335 T CB -0.027 68.845 68.868 0.006 0.000 0.881 335 T HN 0.453 nan 8.240 nan 0.000 0.461 336 N N 0.195 118.895 118.700 0.000 0.000 2.273 336 N HA 0.333 5.048 4.740 -0.042 0.000 0.192 336 N C 1.450 176.960 175.510 -0.001 0.000 1.132 336 N CA -0.122 52.929 53.050 0.002 0.000 0.887 336 N CB 0.093 38.584 38.487 0.008 0.000 1.048 336 N HN 0.161 nan 8.380 nan 0.000 0.490 337 I N 1.083 121.647 120.570 -0.010 0.000 2.394 337 I HA -0.171 3.974 4.170 -0.042 0.000 0.251 337 I C 2.107 178.202 176.117 -0.038 0.000 1.136 337 I CA 0.588 61.877 61.300 -0.020 0.000 1.425 337 I CB 0.039 38.014 38.000 -0.041 0.000 1.079 337 I HN 0.206 nan 8.210 nan 0.000 0.425 338 A N 0.123 122.916 122.820 -0.044 0.000 1.883 338 A HA -0.334 3.961 4.320 -0.042 0.000 0.217 338 A C 1.992 179.572 177.584 -0.007 0.000 1.186 338 A CA 2.378 54.391 52.037 -0.042 0.000 0.624 338 A CB -0.939 18.041 19.000 -0.034 0.000 0.822 338 A HN 0.569 nan 8.150 nan 0.000 0.444 339 D N -0.427 119.975 120.400 0.003 0.000 2.097 339 D HA -0.030 4.585 4.640 -0.042 0.000 0.195 339 D C 1.990 178.310 176.300 0.033 0.000 0.989 339 D CA 1.628 55.638 54.000 0.017 0.000 0.827 339 D CB -0.213 40.596 40.800 0.014 0.000 0.966 339 D HN 0.343 nan 8.370 nan 0.000 0.456 340 A N 0.040 122.880 122.820 0.033 0.000 2.024 340 A HA 0.074 4.369 4.320 -0.042 0.000 0.220 340 A C 2.129 179.770 177.584 0.093 0.000 1.164 340 A CA 1.836 53.906 52.037 0.055 0.000 0.643 340 A CB -0.616 18.416 19.000 0.052 0.000 0.806 340 A HN 0.342 nan 8.150 nan 0.000 0.451 341 A N -0.102 122.772 122.820 0.092 0.000 2.387 341 A HA 0.237 4.532 4.320 -0.042 0.000 0.234 341 A C 1.711 179.400 177.584 0.176 0.000 1.253 341 A CA 0.645 52.783 52.037 0.169 0.000 0.894 341 A CB -0.328 18.702 19.000 0.051 0.000 0.963 341 A HN 0.665 nan 8.150 nan 0.000 0.508 342 K N -0.479 119.987 120.400 0.110 0.000 2.063 342 K HA -0.106 4.189 4.320 -0.042 0.000 0.208 342 K C 1.538 178.205 176.600 0.110 0.000 1.048 342 K CA 1.809 58.151 56.287 0.092 0.000 0.928 342 K CB -0.635 31.898 32.500 0.055 0.000 0.713 342 K HN 0.211 nan 8.250 nan 0.000 0.442 343 G N 0.431 109.303 108.800 0.121 0.000 2.848 343 G HA2 -0.158 3.777 3.960 -0.042 0.000 0.208 343 G HA3 -0.158 3.777 3.960 -0.042 0.000 0.208 343 G C -0.144 174.841 174.900 0.141 0.000 1.152 343 G CA -0.334 44.828 45.100 0.104 0.000 0.789 343 G HN 0.412 nan 8.290 nan 0.000 0.531 344 Y N 2.268 122.620 120.300 0.086 0.000 2.544 344 Y HA 0.323 4.849 4.550 -0.041 0.000 0.330 344 Y C -0.082 175.865 175.900 0.078 0.000 1.136 344 Y CA -0.828 57.335 58.100 0.105 0.000 1.417 344 Y CB 0.710 39.315 38.460 0.242 0.000 1.229 344 Y HN -0.196 nan 8.280 nan 0.000 0.532 345 K N 8.835 128.913 120.400 -0.535 0.000 2.266 345 K HA 0.291 4.586 4.320 -0.042 0.000 0.274 345 K C -2.622 173.427 176.600 -0.918 0.000 1.090 345 K CA -2.208 53.758 56.287 -0.535 0.000 0.925 345 K CB 0.581 32.923 32.500 -0.264 0.000 1.225 345 K HN 0.546 nan 8.250 nan 0.000 0.458 346 P HA -0.083 nan 4.420 nan 0.000 0.258 346 P C -0.190 176.976 177.300 -0.222 0.000 1.172 346 P CA 0.105 62.905 63.100 -0.500 0.000 0.762 346 P CB 0.338 31.971 31.700 -0.111 0.000 0.764 347 V N 3.572 123.468 119.914 -0.031 0.000 2.649 347 V HA 0.334 4.429 4.120 -0.042 0.000 0.292 347 V C 0.878 177.007 176.094 0.059 0.000 1.055 347 V CA -0.623 61.701 62.300 0.039 0.000 1.023 347 V CB 0.903 32.797 31.823 0.118 0.000 0.992 347 V HN 0.651 nan 8.190 nan 0.000 0.480 348 A N 4.521 127.359 122.820 0.029 0.000 2.511 348 A HA 0.458 4.753 4.320 -0.042 0.000 0.242 348 A C 0.109 177.718 177.584 0.042 0.000 1.069 348 A CA -0.034 52.020 52.037 0.027 0.000 0.763 348 A CB 0.151 19.160 19.000 0.014 0.000 1.001 348 A HN 1.320 nan 8.150 nan 0.000 0.498 349 V N 0.834 120.761 119.914 0.021 0.000 2.743 349 V HA 0.609 4.704 4.120 -0.042 0.000 0.301 349 V C -2.406 173.692 176.094 0.006 0.000 1.057 349 V CA -2.188 60.109 62.300 -0.004 0.000 1.006 349 V CB 0.361 32.116 31.823 -0.113 0.000 1.024 349 V HN 0.754 nan 8.190 nan 0.000 0.473 350 P HA 0.300 nan 4.420 nan 0.000 0.266 350 P C -0.159 177.140 177.300 -0.003 0.000 1.193 350 P CA 0.350 63.470 63.100 0.034 0.000 0.770 350 P CB 0.272 32.021 31.700 0.083 0.000 0.836 351 A N 2.967 125.791 122.820 0.007 0.000 2.371 351 A HA 0.232 4.527 4.320 -0.042 0.000 0.257 351 A C 0.597 178.185 177.584 0.007 0.000 1.089 351 A CA -0.395 51.645 52.037 0.005 0.000 0.794 351 A CB 0.063 19.069 19.000 0.009 0.000 1.029 351 A HN 0.591 nan 8.150 nan 0.000 0.488 352 R N 0.998 121.507 120.500 0.015 0.000 2.734 352 R HA 0.142 4.457 4.340 -0.042 0.000 0.266 352 R C -0.310 176.000 176.300 0.016 0.000 1.044 352 R CA 0.185 56.300 56.100 0.026 0.000 1.128 352 R CB 0.174 30.498 30.300 0.041 0.000 1.010 352 R HN 0.749 nan 8.270 nan 0.000 0.461 353 T N 5.742 120.304 114.554 0.013 0.000 2.934 353 T HA 0.080 4.405 4.350 -0.042 0.000 0.306 353 T C -2.127 172.574 174.700 0.001 0.000 1.042 353 T CA -0.735 61.368 62.100 0.005 0.000 1.145 353 T CB 0.379 69.245 68.868 -0.002 0.000 0.982 353 T HN 0.493 nan 8.240 nan 0.000 0.544 354 P HA 0.320 nan 4.420 nan 0.000 0.269 354 P C -0.320 176.973 177.300 -0.011 0.000 1.209 354 P CA -0.482 62.618 63.100 0.001 0.000 0.776 354 P CB 0.279 31.983 31.700 0.007 0.000 0.876 355 A N 3.081 125.894 122.820 -0.012 0.000 2.547 355 A HA 0.007 4.301 4.320 -0.042 0.000 0.233 355 A C 0.561 178.131 177.584 -0.024 0.000 1.067 355 A CA 0.007 52.027 52.037 -0.029 0.000 0.763 355 A CB -0.455 18.539 19.000 -0.010 0.000 1.007 355 A HN 0.558 nan 8.150 nan 0.000 0.506 356 N N 0.512 119.174 118.700 -0.064 0.000 2.454 356 N HA 0.284 4.999 4.740 -0.042 0.000 0.254 356 N C 0.428 175.988 175.510 0.084 0.000 1.228 356 N CA 0.884 53.934 53.050 0.000 0.000 0.900 356 N CB 0.650 39.088 38.487 -0.082 0.000 1.089 356 N HN 0.824 nan 8.380 nan 0.000 0.449 357 A N 1.401 124.287 122.820 0.110 0.000 2.498 357 A HA 0.381 4.676 4.320 -0.042 0.000 0.239 357 A C 0.569 178.238 177.584 0.142 0.000 1.068 357 A CA -0.338 51.761 52.037 0.103 0.000 0.766 357 A CB -0.079 18.970 19.000 0.082 0.000 1.003 357 A HN 0.749 nan 8.150 nan 0.000 0.497 358 A N 1.457 124.341 122.820 0.106 0.000 2.540 358 A HA 0.472 4.767 4.320 -0.042 0.000 0.239 358 A C 0.419 178.052 177.584 0.081 0.000 1.061 358 A CA 0.594 52.694 52.037 0.106 0.000 0.758 358 A CB -0.589 18.455 19.000 0.073 0.000 0.991 358 A HN 2.190 nan 8.150 nan 0.000 0.502 359 V N -0.066 119.889 119.914 0.067 0.000 3.114 359 V HA 0.744 4.838 4.120 -0.042 0.000 0.308 359 V C -2.885 173.195 176.094 -0.023 0.000 1.168 359 V CA -2.392 59.909 62.300 0.002 0.000 1.015 359 V CB 1.011 32.801 31.823 -0.055 0.000 1.050 359 V HN 0.723 nan 8.190 nan 0.000 0.433 360 P HA 0.302 nan 4.420 nan 0.000 0.266 360 P C 0.937 178.198 177.300 -0.065 0.000 1.195 360 P CA 0.489 63.565 63.100 -0.041 0.000 0.768 360 P CB 0.826 32.501 31.700 -0.043 0.000 0.838 361 A N 2.432 125.227 122.820 -0.042 0.000 2.032 361 A HA -0.207 4.088 4.320 -0.042 0.000 0.221 361 A C 1.990 179.529 177.584 -0.075 0.000 1.165 361 A CA 2.161 54.170 52.037 -0.046 0.000 0.645 361 A CB -1.341 17.648 19.000 -0.018 0.000 0.807 361 A HN 0.628 nan 8.150 nan 0.000 0.453 362 S N -0.760 114.898 115.700 -0.071 0.000 2.562 362 S HA 0.041 4.486 4.470 -0.042 0.000 0.221 362 S C 1.018 175.554 174.600 -0.106 0.000 0.975 362 S CA 0.727 58.884 58.200 -0.072 0.000 0.918 362 S CB -1.162 62.007 63.200 -0.051 0.000 0.772 362 S HN 0.746 nan 8.310 nan 0.000 0.531 363 T N 2.796 117.259 114.554 -0.151 0.000 2.853 363 T HA 0.330 4.655 4.350 -0.042 0.000 0.298 363 T C -2.896 171.666 174.700 -0.231 0.000 0.978 363 T CA -1.712 60.275 62.100 -0.189 0.000 1.152 363 T CB 0.104 68.841 68.868 -0.218 0.000 0.914 363 T HN 0.033 nan 8.240 nan 0.000 0.539 364 P HA 0.127 nan 4.420 nan 0.000 0.265 364 P C -0.065 177.104 177.300 -0.218 0.000 1.193 364 P CA -0.238 62.772 63.100 -0.151 0.000 0.765 364 P CB 0.318 31.960 31.700 -0.096 0.000 0.823 365 L N 3.804 124.912 121.223 -0.192 0.000 2.490 365 L HA 0.113 4.428 4.340 -0.042 0.000 0.274 365 L C 1.013 177.802 176.870 -0.134 0.000 1.201 365 L CA 0.561 55.273 54.840 -0.213 0.000 0.869 365 L CB 0.089 42.077 42.059 -0.120 0.000 1.123 365 L HN 0.258 nan 8.230 nan 0.000 0.484 366 K N 2.734 123.067 120.400 -0.111 0.000 2.426 366 K HA 0.252 4.547 4.320 -0.042 0.000 0.251 366 K C 0.311 176.885 176.600 -0.043 0.000 0.941 366 K CA -0.808 55.455 56.287 -0.040 0.000 0.808 366 K CB 2.021 34.517 32.500 -0.006 0.000 1.265 366 K HN 0.479 nan 8.250 nan 0.000 0.432 367 Q N 1.085 120.868 119.800 -0.029 0.000 2.045 367 Q HA -0.250 4.065 4.340 -0.042 0.000 0.206 367 Q C 1.586 177.575 176.000 -0.018 0.000 0.991 367 Q CA 1.924 57.687 55.803 -0.067 0.000 0.851 367 Q CB 0.137 28.991 28.738 0.193 0.000 0.911 367 Q HN 0.686 nan 8.270 nan 0.000 0.418 368 E N -0.080 120.194 120.200 0.123 0.000 2.058 368 E HA -0.224 4.101 4.350 -0.042 0.000 0.194 368 E C 1.764 178.407 176.600 0.072 0.000 0.997 368 E CA 1.243 57.732 56.400 0.150 0.000 0.801 368 E CB -0.281 29.489 29.700 0.116 0.000 0.746 368 E HN 0.393 nan 8.360 nan 0.000 0.450 369 W N 1.181 122.407 121.300 -0.123 0.000 2.317 369 W HA -0.277 4.358 4.660 -0.042 0.000 0.318 369 W C 2.395 178.722 176.519 -0.321 0.000 1.227 369 W CA 2.549 59.784 57.345 -0.182 0.000 1.269 369 W CB -0.346 28.997 29.460 -0.194 0.000 1.155 369 W HN 0.124 nan 8.180 nan 0.000 0.484 370 M N -0.717 118.718 119.600 -0.275 0.000 2.086 370 M HA -0.211 4.244 4.480 -0.042 0.000 0.261 370 M C 1.959 177.780 176.300 -0.797 0.000 1.067 370 M CA 2.580 57.395 55.300 -0.808 0.000 1.116 370 M CB -0.808 31.198 32.600 -0.990 0.000 1.348 370 M HN 0.184 nan 8.290 nan 0.000 0.407 371 W N 0.324 121.424 121.300 -0.334 0.000 2.363 371 W HA -0.195 4.440 4.660 -0.041 0.000 0.296 371 W C 2.165 178.526 176.519 -0.263 0.000 1.212 371 W CA 0.837 58.013 57.345 -0.283 0.000 1.260 371 W CB -0.798 28.544 29.460 -0.197 0.000 1.131 371 W HN 0.368 nan 8.180 nan 0.000 0.530 372 N N 0.535 119.167 118.700 -0.112 0.000 2.188 372 N HA -0.191 4.524 4.740 -0.042 0.000 0.184 372 N C 1.675 177.005 175.510 -0.300 0.000 1.018 372 N CA 1.483 54.426 53.050 -0.179 0.000 0.858 372 N CB -0.326 38.044 38.487 -0.195 0.000 0.989 372 N HN 0.084 nan 8.380 nan 0.000 0.426 373 Q N -0.249 119.201 119.800 -0.583 0.000 2.230 373 Q HA 0.073 4.388 4.340 -0.042 0.000 0.202 373 Q C 1.787 177.698 176.000 -0.147 0.000 0.963 373 Q CA 0.529 55.978 55.803 -0.591 0.000 0.866 373 Q CB -0.349 27.576 28.738 -1.355 0.000 0.931 373 Q HN 0.370 nan 8.270 nan 0.000 0.452 374 L N -0.219 120.959 121.223 -0.075 0.000 2.129 374 L HA -0.061 4.254 4.340 -0.042 0.000 0.212 374 L C 1.898 178.900 176.870 0.220 0.000 1.087 374 L CA 2.306 57.266 54.840 0.201 0.000 0.757 374 L CB -1.043 41.086 42.059 0.116 0.000 0.896 374 L HN 0.305 nan 8.230 nan 0.000 0.434 375 G N -0.838 108.035 108.800 0.123 0.000 2.462 375 G HA2 -0.328 3.607 3.960 -0.042 0.000 0.220 375 G HA3 -0.328 3.607 3.960 -0.042 0.000 0.220 375 G C 1.395 176.358 174.900 0.106 0.000 1.121 375 G CA 0.884 46.055 45.100 0.118 0.000 0.758 375 G HN 0.489 nan 8.290 nan 0.000 0.559 376 N N 0.091 118.863 118.700 0.119 0.000 2.166 376 N HA -0.103 4.612 4.740 -0.042 0.000 0.186 376 N C 1.656 177.272 175.510 0.176 0.000 1.019 376 N CA 0.855 53.981 53.050 0.127 0.000 0.856 376 N CB -0.462 38.105 38.487 0.133 0.000 0.993 376 N HN 0.400 nan 8.380 nan 0.000 0.426 377 F N 1.614 121.614 119.950 0.083 0.000 2.234 377 F HA 0.182 4.684 4.527 -0.042 0.000 0.296 377 F C 0.617 176.435 175.800 0.031 0.000 1.089 377 F CA 0.080 58.121 58.000 0.068 0.000 1.343 377 F CB -0.288 38.766 39.000 0.090 0.000 1.040 377 F HN -0.160 nan 8.300 nan 0.000 0.498 378 L N 2.118 123.232 121.223 -0.181 0.000 2.483 378 L HA 0.122 4.437 4.340 -0.042 0.000 0.275 378 L C 0.088 176.804 176.870 -0.256 0.000 1.220 378 L CA 0.056 54.708 54.840 -0.314 0.000 0.833 378 L CB 0.323 42.319 42.059 -0.104 0.000 1.102 378 L HN 0.279 nan 8.230 nan 0.000 0.490 379 Q N 1.036 120.670 119.800 -0.276 0.000 2.451 379 Q HA 0.423 4.738 4.340 -0.042 0.000 0.281 379 Q C -1.209 174.707 176.000 -0.140 0.000 1.099 379 Q CA -1.027 54.668 55.803 -0.180 0.000 0.806 379 Q CB 1.860 30.485 28.738 -0.189 0.000 1.419 379 Q HN 0.480 nan 8.270 nan 0.000 0.427 380 E N -0.008 120.137 120.200 -0.092 0.000 2.452 380 E HA 0.188 4.513 4.350 -0.042 0.000 0.261 380 E C 0.449 177.005 176.600 -0.073 0.000 0.987 380 E CA 1.334 57.690 56.400 -0.072 0.000 0.926 380 E CB 0.293 29.965 29.700 -0.047 0.000 0.934 380 E HN 0.960 nan 8.360 nan 0.000 0.452 381 G N 3.106 111.867 108.800 -0.065 0.000 2.217 381 G HA2 -0.222 3.713 3.960 -0.042 0.000 0.246 381 G HA3 -0.222 3.713 3.960 -0.042 0.000 0.246 381 G C -0.033 174.830 174.900 -0.062 0.000 0.990 381 G CA -0.019 45.051 45.100 -0.049 0.000 0.627 381 G HN 0.570 nan 8.290 nan 0.000 0.522 382 D N 0.370 120.706 120.400 -0.106 0.000 2.423 382 D HA 0.418 5.033 4.640 -0.042 0.000 0.238 382 D C 0.666 176.914 176.300 -0.087 0.000 1.142 382 D CA 0.215 54.143 54.000 -0.120 0.000 0.884 382 D CB 1.545 42.226 40.800 -0.198 0.000 1.199 382 D HN 0.203 nan 8.370 nan 0.000 0.438 383 V N 2.610 122.501 119.914 -0.038 0.000 2.394 383 V HA 0.293 4.388 4.120 -0.042 0.000 0.282 383 V C 0.167 176.266 176.094 0.008 0.000 1.031 383 V CA -0.657 61.650 62.300 0.012 0.000 0.881 383 V CB 1.648 33.486 31.823 0.025 0.000 0.982 383 V HN 0.211 nan 8.190 nan 0.000 0.451 384 V N 6.872 126.774 119.914 -0.021 0.000 2.407 384 V HA 0.530 4.625 4.120 -0.042 0.000 0.291 384 V C -0.278 175.892 176.094 0.127 0.000 1.018 384 V CA -0.325 61.986 62.300 0.018 0.000 0.842 384 V CB 1.592 33.284 31.823 -0.217 0.000 0.996 384 V HN 0.684 nan 8.190 nan 0.000 0.426 385 I N 3.944 124.639 120.570 0.208 0.000 2.465 385 I HA 0.822 4.967 4.170 -0.042 0.000 0.291 385 I C 0.078 176.360 176.117 0.275 0.000 1.014 385 I CA -0.652 60.771 61.300 0.206 0.000 1.093 385 I CB 2.066 40.149 38.000 0.139 0.000 1.267 385 I HN 0.658 nan 8.210 nan 0.000 0.431 386 A N 4.697 127.661 122.820 0.239 0.000 2.343 386 A HA 0.630 4.925 4.320 -0.042 0.000 0.308 386 A C -0.712 176.990 177.584 0.198 0.000 1.092 386 A CA -0.541 51.639 52.037 0.239 0.000 0.751 386 A CB 1.481 20.551 19.000 0.116 0.000 1.203 386 A HN 0.674 nan 8.150 nan 0.000 0.452 387 E N 1.492 121.822 120.200 0.218 0.000 2.331 387 E HA 0.419 4.744 4.350 -0.042 0.000 0.272 387 E C 0.082 176.772 176.600 0.150 0.000 1.036 387 E CA 0.120 56.632 56.400 0.186 0.000 0.864 387 E CB 0.599 30.403 29.700 0.174 0.000 1.035 387 E HN 0.571 nan 8.360 nan 0.000 0.408 388 T N 3.068 117.703 114.554 0.135 0.000 2.891 388 T HA 0.431 4.756 4.350 -0.042 0.000 0.296 388 T C 0.336 175.114 174.700 0.129 0.000 1.025 388 T CA 0.975 63.147 62.100 0.120 0.000 1.149 388 T CB -0.135 68.801 68.868 0.113 0.000 1.007 388 T HN 0.773 nan 8.240 nan 0.000 0.528 389 G N 2.544 111.442 108.800 0.164 0.000 2.298 389 G HA2 -0.017 3.918 3.960 -0.042 0.000 0.309 389 G HA3 -0.017 3.918 3.960 -0.042 0.000 0.309 389 G C 0.911 175.921 174.900 0.184 0.000 1.279 389 G CA 0.359 45.541 45.100 0.137 0.000 1.042 389 G HN 0.870 nan 8.290 nan 0.000 0.480 390 T N -1.612 113.033 114.554 0.152 0.000 2.759 390 T HA -0.092 4.233 4.350 -0.042 0.000 0.269 390 T C 2.399 177.202 174.700 0.172 0.000 1.042 390 T CA 2.862 65.065 62.100 0.172 0.000 1.140 390 T CB -0.523 68.477 68.868 0.220 0.000 0.864 390 T HN 0.879 nan 8.240 nan 0.000 0.455 391 S N 1.986 117.823 115.700 0.229 0.000 2.353 391 S HA 0.003 4.448 4.470 -0.042 0.000 0.222 391 S C 2.659 177.116 174.600 -0.238 0.000 1.035 391 S CA 1.250 59.532 58.200 0.136 0.000 1.025 391 S CB -0.990 62.428 63.200 0.363 0.000 0.902 391 S HN 0.815 nan 8.310 nan 0.000 0.440 392 A N 0.399 123.174 122.820 -0.075 0.000 1.933 392 A HA -0.021 4.274 4.320 -0.042 0.000 0.218 392 A C 1.870 179.213 177.584 -0.403 0.000 1.175 392 A CA 1.315 53.229 52.037 -0.204 0.000 0.628 392 A CB -0.805 18.100 19.000 -0.158 0.000 0.814 392 A HN 0.493 nan 8.150 nan 0.000 0.444 393 F N 0.017 119.773 119.950 -0.324 0.000 2.206 393 F HA 0.053 4.555 4.527 -0.042 0.000 0.298 393 F C 2.624 178.107 175.800 -0.528 0.000 1.090 393 F CA 1.008 58.798 58.000 -0.350 0.000 1.323 393 F CB -0.584 38.247 39.000 -0.281 0.000 1.028 393 F HN 0.294 nan 8.300 nan 0.000 0.492 394 G N -0.072 108.289 108.800 -0.733 0.000 2.402 394 G HA2 -0.253 3.681 3.960 -0.042 0.000 0.216 394 G HA3 -0.253 3.681 3.960 -0.042 0.000 0.216 394 G C 1.608 175.598 174.900 -1.518 0.000 1.162 394 G CA 0.708 44.778 45.100 -1.717 0.000 0.777 394 G HN 0.289 nan 8.290 nan 0.000 0.539 395 I N 1.561 121.377 120.570 -1.257 0.000 2.567 395 I HA -0.119 4.026 4.170 -0.042 0.000 0.257 395 I C 1.946 177.832 176.117 -0.386 0.000 1.184 395 I CA 0.706 61.639 61.300 -0.611 0.000 1.451 395 I CB -0.190 37.623 38.000 -0.312 0.000 1.089 395 I HN 0.014 nan 8.210 nan 0.000 0.441 396 N N 0.365 118.832 118.700 -0.389 0.000 2.348 396 N HA -0.211 4.504 4.740 -0.042 0.000 0.185 396 N C 1.514 176.887 175.510 -0.229 0.000 1.019 396 N CA 0.998 53.876 53.050 -0.287 0.000 0.880 396 N CB -0.196 38.148 38.487 -0.238 0.000 0.965 396 N HN 0.505 nan 8.380 nan 0.000 0.437 397 Q N -0.723 118.948 119.800 -0.214 0.000 2.360 397 Q HA 0.189 4.504 4.340 -0.042 0.000 0.202 397 Q C -0.211 175.752 176.000 -0.061 0.000 0.915 397 Q CA 0.238 55.980 55.803 -0.103 0.000 0.943 397 Q CB 0.584 29.296 28.738 -0.043 0.000 1.064 397 Q HN 0.068 nan 8.270 nan 0.000 0.511 398 T N 0.951 115.448 114.554 -0.096 0.000 2.806 398 T HA 0.278 4.603 4.350 -0.042 0.000 0.290 398 T C -0.097 174.527 174.700 -0.128 0.000 0.966 398 T CA -0.292 61.796 62.100 -0.020 0.000 1.060 398 T CB 1.240 70.183 68.868 0.124 0.000 0.927 398 T HN -0.034 nan 8.240 nan 0.000 0.485 399 T N 4.827 119.368 114.554 -0.022 0.000 2.780 399 T HA 0.386 4.711 4.350 -0.042 0.000 0.294 399 T C -0.199 174.584 174.700 0.137 0.000 0.949 399 T CA -0.367 61.716 62.100 -0.028 0.000 1.074 399 T CB -0.079 68.797 68.868 0.012 0.000 0.910 399 T HN 0.237 nan 8.240 nan 0.000 0.501 400 F N 4.144 124.045 119.950 -0.082 0.000 2.375 400 F HA 0.411 4.913 4.527 -0.042 0.000 0.333 400 F C -1.820 173.919 175.800 -0.101 0.000 1.104 400 F CA -3.319 54.627 58.000 -0.090 0.000 1.149 400 F CB 0.092 39.023 39.000 -0.115 0.000 1.190 400 F HN 0.316 nan 8.300 nan 0.000 0.533 401 P HA 0.027 nan 4.420 nan 0.000 0.271 401 P C -0.351 176.949 177.300 -0.000 0.000 1.233 401 P CA -0.289 62.819 63.100 0.012 0.000 0.789 401 P CB 0.448 32.127 31.700 -0.036 0.000 0.951 402 N N 1.829 120.517 118.700 -0.020 0.000 2.329 402 N HA -0.085 4.630 4.740 -0.042 0.000 0.237 402 N C 0.640 176.134 175.510 -0.028 0.000 1.258 402 N CA 0.605 53.641 53.050 -0.025 0.000 0.866 402 N CB -0.855 37.620 38.487 -0.019 0.000 1.102 402 N HN 0.525 nan 8.380 nan 0.000 0.440 403 N N -0.846 117.840 118.700 -0.023 0.000 2.738 403 N HA -0.193 4.522 4.740 -0.042 0.000 0.249 403 N C -1.420 174.070 175.510 -0.034 0.000 1.047 403 N CA 0.750 53.790 53.050 -0.017 0.000 0.707 403 N CB -1.114 37.366 38.487 -0.012 0.000 0.937 403 N HN 0.478 nan 8.380 nan 0.000 0.545 404 T N 1.664 116.183 114.554 -0.059 0.000 2.767 404 T HA 0.200 4.524 4.350 -0.042 0.000 0.284 404 T C -0.447 174.181 174.700 -0.121 0.000 0.973 404 T CA -0.293 61.711 62.100 -0.159 0.000 0.996 404 T CB 0.638 69.277 68.868 -0.380 0.000 0.927 404 T HN 0.231 nan 8.240 nan 0.000 0.456 405 Y N 2.776 122.979 120.300 -0.161 0.000 2.477 405 Y HA 0.489 5.013 4.550 -0.042 0.000 0.349 405 Y C 0.812 176.647 175.900 -0.108 0.000 0.977 405 Y CA -0.500 57.545 58.100 -0.091 0.000 1.214 405 Y CB 0.304 38.730 38.460 -0.057 0.000 1.124 405 Y HN 0.790 nan 8.280 nan 0.000 0.521 406 G N 6.425 115.106 108.800 -0.199 0.000 2.395 406 G HA2 0.510 4.445 3.960 -0.042 0.000 0.283 406 G HA3 0.510 4.445 3.960 -0.042 0.000 0.283 406 G C -1.004 173.951 174.900 0.092 0.000 1.178 406 G CA -0.589 44.517 45.100 0.010 0.000 0.837 406 G HN 0.687 nan 8.290 nan 0.000 0.518 407 I N 1.189 121.880 120.570 0.202 0.000 2.447 407 I HA 0.406 4.551 4.170 -0.042 0.000 0.287 407 I C -0.239 176.010 176.117 0.221 0.000 1.023 407 I CA -0.496 60.956 61.300 0.254 0.000 1.083 407 I CB 2.208 40.394 38.000 0.310 0.000 1.245 407 I HN 0.457 nan 8.210 nan 0.000 0.434 408 S N 5.375 121.180 115.700 0.176 0.000 2.668 408 S HA 0.205 4.650 4.470 -0.042 0.000 0.277 408 S C -0.678 173.972 174.600 0.085 0.000 1.170 408 S CA -0.533 57.743 58.200 0.127 0.000 0.994 408 S CB 1.494 64.713 63.200 0.033 0.000 1.051 408 S HN 0.680 nan 8.310 nan 0.000 0.484 409 Q N 4.881 124.728 119.800 0.077 0.000 3.181 409 Q HA 0.245 4.560 4.340 -0.042 0.000 0.293 409 Q C 0.685 176.691 176.000 0.011 0.000 1.406 409 Q CA -0.228 55.550 55.803 -0.042 0.000 1.026 409 Q CB -0.102 28.451 28.738 -0.309 0.000 1.630 409 Q HN 0.737 nan 8.270 nan 0.000 0.553 410 V N 2.084 122.008 119.914 0.017 0.000 2.427 410 V HA -0.250 3.845 4.120 -0.042 0.000 0.248 410 V C 1.806 177.940 176.094 0.067 0.000 1.051 410 V CA 1.359 63.680 62.300 0.034 0.000 1.048 410 V CB -0.359 31.454 31.823 -0.017 0.000 0.666 410 V HN 0.593 nan 8.190 nan 0.000 0.456 411 L N -0.673 120.584 121.223 0.057 0.000 2.034 411 L HA -0.045 4.270 4.340 -0.042 0.000 0.203 411 L C 2.126 179.069 176.870 0.122 0.000 1.074 411 L CA 2.000 56.881 54.840 0.068 0.000 0.748 411 L CB -0.845 41.279 42.059 0.109 0.000 0.905 411 L HN 0.469 nan 8.230 nan 0.000 0.439 412 W N 0.785 122.048 121.300 -0.062 0.000 2.409 412 W HA 0.018 4.652 4.660 -0.043 0.000 0.299 412 W C 1.245 177.738 176.519 -0.044 0.000 1.203 412 W CA 1.194 58.505 57.345 -0.057 0.000 1.298 412 W CB -0.061 29.349 29.460 -0.084 0.000 1.127 412 W HN 0.449 nan 8.180 nan 0.000 0.528 413 G N 1.717 110.501 108.800 -0.026 0.000 2.295 413 G HA2 -0.297 3.638 3.960 -0.042 0.000 0.287 413 G HA3 -0.297 3.638 3.960 -0.042 0.000 0.287 413 G C -0.059 174.747 174.900 -0.156 0.000 1.055 413 G CA 0.562 45.626 45.100 -0.060 0.000 0.922 413 G HN 0.287 nan 8.290 nan 0.000 0.503 414 S N 0.077 115.689 115.700 -0.148 0.000 2.405 414 S HA 0.532 4.977 4.470 -0.042 0.000 0.291 414 S C 1.146 175.769 174.600 0.037 0.000 1.137 414 S CA -0.356 57.808 58.200 -0.059 0.000 1.061 414 S CB -0.312 63.000 63.200 0.186 0.000 1.001 414 S HN 1.117 nan 8.310 nan 0.000 0.507 415 I N 2.810 123.392 120.570 0.020 0.000 2.752 415 I HA 0.559 4.704 4.170 -0.042 0.000 0.287 415 I C 1.336 177.497 176.117 0.073 0.000 1.188 415 I CA 0.588 61.914 61.300 0.044 0.000 1.427 415 I CB 0.090 38.089 38.000 -0.001 0.000 1.365 415 I HN 0.760 nan 8.210 nan 0.000 0.585 416 G N 4.380 113.215 108.800 0.059 0.000 2.279 416 G HA2 -0.365 3.570 3.960 -0.042 0.000 0.223 416 G HA3 -0.365 3.570 3.960 -0.042 0.000 0.223 416 G C 0.558 175.362 174.900 -0.159 0.000 1.015 416 G CA 0.477 45.612 45.100 0.059 0.000 0.621 416 G HN 0.919 nan 8.290 nan 0.000 0.506 417 F N 3.215 122.793 119.950 -0.619 0.000 2.085 417 F HA -0.187 4.316 4.527 -0.041 0.000 0.299 417 F C 2.772 178.285 175.800 -0.479 0.000 1.096 417 F CA 3.484 60.785 58.000 -1.164 0.000 1.227 417 F CB -0.697 37.929 39.000 -0.623 0.000 0.983 417 F HN 0.465 nan 8.300 nan 0.000 0.482 418 T N -3.341 110.954 114.554 -0.431 0.000 2.995 418 T HA -0.101 4.224 4.350 -0.042 0.000 0.269 418 T C 1.779 176.323 174.700 -0.261 0.000 1.091 418 T CA 1.392 63.230 62.100 -0.438 0.000 1.128 418 T CB -1.107 67.710 68.868 -0.085 0.000 0.891 418 T HN 0.358 nan 8.240 nan 0.000 0.492 419 T N 1.542 116.013 114.554 -0.137 0.000 2.746 419 T HA 0.048 4.373 4.350 -0.042 0.000 0.267 419 T C 2.282 176.944 174.700 -0.064 0.000 1.039 419 T CA 1.335 63.412 62.100 -0.038 0.000 1.142 419 T CB -0.977 67.923 68.868 0.053 0.000 0.866 419 T HN 0.597 nan 8.240 nan 0.000 0.444 420 G N 0.992 109.745 108.800 -0.077 0.000 2.394 420 G HA2 0.075 4.010 3.960 -0.042 0.000 0.215 420 G HA3 0.075 4.010 3.960 -0.042 0.000 0.215 420 G C 1.859 176.656 174.900 -0.173 0.000 1.165 420 G CA 0.718 45.801 45.100 -0.027 0.000 0.784 420 G HN 0.571 nan 8.290 nan 0.000 0.535 421 A N 0.436 123.002 122.820 -0.424 0.000 1.933 421 A HA -0.024 4.271 4.320 -0.042 0.000 0.218 421 A C 2.507 179.962 177.584 -0.215 0.000 1.175 421 A CA 2.438 54.200 52.037 -0.458 0.000 0.628 421 A CB -0.937 17.492 19.000 -0.951 0.000 0.814 421 A HN 0.287 nan 8.150 nan 0.000 0.444 422 T N 0.094 114.543 114.554 -0.174 0.000 2.746 422 T HA -0.144 4.181 4.350 -0.042 0.000 0.267 422 T C 1.835 176.506 174.700 -0.048 0.000 1.039 422 T CA 1.499 63.558 62.100 -0.069 0.000 1.142 422 T CB -0.395 68.454 68.868 -0.032 0.000 0.866 422 T HN 0.363 nan 8.240 nan 0.000 0.444 423 L N 1.393 122.589 121.223 -0.046 0.000 1.989 423 L HA 0.020 4.335 4.340 -0.042 0.000 0.211 423 L C 2.567 179.493 176.870 0.093 0.000 1.071 423 L CA 2.251 57.075 54.840 -0.026 0.000 0.749 423 L CB -1.161 40.927 42.059 0.048 0.000 0.890 423 L HN 0.281 nan 8.230 nan 0.000 0.431 424 G N -1.329 107.527 108.800 0.093 0.000 2.402 424 G HA2 -0.219 3.716 3.960 -0.042 0.000 0.216 424 G HA3 -0.219 3.716 3.960 -0.042 0.000 0.216 424 G C 1.592 176.657 174.900 0.275 0.000 1.162 424 G CA 0.779 46.013 45.100 0.223 0.000 0.777 424 G HN 0.663 nan 8.290 nan 0.000 0.539 425 A N 1.142 124.004 122.820 0.070 0.000 1.933 425 A HA 0.279 4.574 4.320 -0.042 0.000 0.218 425 A C 2.792 180.387 177.584 0.018 0.000 1.175 425 A CA 2.195 54.233 52.037 0.003 0.000 0.628 425 A CB -0.713 18.267 19.000 -0.032 0.000 0.814 425 A HN 0.754 nan 8.150 nan 0.000 0.444 426 A N -1.197 121.630 122.820 0.011 0.000 1.930 426 A HA 0.040 4.335 4.320 -0.042 0.000 0.217 426 A C 1.915 179.494 177.584 -0.008 0.000 1.175 426 A CA 1.447 53.460 52.037 -0.040 0.000 0.627 426 A CB -0.689 18.239 19.000 -0.121 0.000 0.815 426 A HN 0.426 nan 8.150 nan 0.000 0.443 427 F N 0.262 120.274 119.950 0.103 0.000 2.102 427 F HA -0.105 4.397 4.527 -0.042 0.000 0.298 427 F C 2.829 178.688 175.800 0.099 0.000 1.105 427 F CA 0.958 59.029 58.000 0.117 0.000 1.239 427 F CB -0.798 38.347 39.000 0.242 0.000 0.991 427 F HN 0.258 nan 8.300 nan 0.000 0.474 428 A N -0.128 122.830 122.820 0.229 0.000 1.877 428 A HA -0.088 4.207 4.320 -0.042 0.000 0.216 428 A C 2.419 179.950 177.584 -0.090 0.000 1.186 428 A CA 1.940 53.870 52.037 -0.178 0.000 0.620 428 A CB -1.385 17.302 19.000 -0.521 0.000 0.822 428 A HN 0.316 nan 8.150 nan 0.000 0.443 429 A N -0.540 122.251 122.820 -0.048 0.000 1.902 429 A HA -0.196 4.099 4.320 -0.042 0.000 0.217 429 A C 2.045 179.625 177.584 -0.006 0.000 1.181 429 A CA 1.793 53.806 52.037 -0.040 0.000 0.623 429 A CB -0.571 18.411 19.000 -0.029 0.000 0.818 429 A HN 0.666 nan 8.150 nan 0.000 0.443 430 E N -0.110 120.105 120.200 0.025 0.000 2.085 430 E HA -0.246 4.079 4.350 -0.042 0.000 0.194 430 E C 1.853 178.479 176.600 0.044 0.000 0.994 430 E CA 1.556 57.981 56.400 0.042 0.000 0.801 430 E CB -0.124 29.618 29.700 0.071 0.000 0.743 430 E HN 0.774 nan 8.360 nan 0.000 0.453 431 E N -0.049 120.180 120.200 0.049 0.000 2.152 431 E HA -0.122 4.203 4.350 -0.042 0.000 0.192 431 E C 2.109 178.712 176.600 0.005 0.000 0.983 431 E CA 0.742 57.163 56.400 0.035 0.000 0.818 431 E CB 0.074 29.802 29.700 0.046 0.000 0.758 431 E HN 0.357 nan 8.360 nan 0.000 0.467 432 I N 0.480 121.040 120.570 -0.016 0.000 2.235 432 I HA -0.105 4.040 4.170 -0.042 0.000 0.241 432 I C 0.553 176.663 176.117 -0.010 0.000 1.085 432 I CA 0.721 62.006 61.300 -0.025 0.000 1.378 432 I CB 0.419 38.390 38.000 -0.049 0.000 1.076 432 I HN -0.006 nan 8.210 nan 0.000 0.415 433 D N -1.032 119.365 120.400 -0.006 0.000 2.484 433 D HA 0.145 4.760 4.640 -0.042 0.000 0.206 433 D C -2.317 173.987 176.300 0.006 0.000 1.322 433 D CA -1.450 52.550 54.000 0.000 0.000 0.913 433 D CB 1.483 42.280 40.800 -0.006 0.000 1.559 433 D HN -0.227 nan 8.370 nan 0.000 0.565 434 P HA -0.050 nan 4.420 nan 0.000 0.226 434 P C 0.653 177.961 177.300 0.014 0.000 1.146 434 P CA 0.856 63.967 63.100 0.018 0.000 0.773 434 P CB 0.263 31.977 31.700 0.024 0.000 0.772 435 K N -0.818 119.588 120.400 0.010 0.000 2.404 435 K HA 0.043 4.338 4.320 -0.042 0.000 0.194 435 K C 0.799 177.404 176.600 0.008 0.000 1.023 435 K CA -0.030 56.263 56.287 0.010 0.000 1.094 435 K CB 0.150 32.654 32.500 0.006 0.000 0.841 435 K HN 0.138 nan 8.250 nan 0.000 0.523 436 K N 1.999 122.401 120.400 0.003 0.000 2.322 436 K HA 0.086 4.381 4.320 -0.042 0.000 0.283 436 K C -0.431 176.178 176.600 0.016 0.000 1.042 436 K CA -0.143 56.142 56.287 -0.004 0.000 0.958 436 K CB 0.632 33.123 32.500 -0.014 0.000 0.984 436 K HN -0.046 nan 8.250 nan 0.000 0.473 437 R N 2.170 122.678 120.500 0.014 0.000 2.457 437 R HA 0.369 4.684 4.340 -0.042 0.000 0.284 437 R C -0.842 175.497 176.300 0.066 0.000 1.024 437 R CA -0.866 55.278 56.100 0.073 0.000 1.025 437 R CB 1.535 31.852 30.300 0.029 0.000 1.063 437 R HN 0.264 nan 8.270 nan 0.000 0.493 438 V N 4.617 124.617 119.914 0.145 0.000 2.483 438 V HA 0.418 4.513 4.120 -0.042 0.000 0.297 438 V C -0.320 175.916 176.094 0.236 0.000 1.027 438 V CA -0.615 61.762 62.300 0.128 0.000 0.855 438 V CB 1.627 33.495 31.823 0.075 0.000 0.995 438 V HN 0.608 nan 8.190 nan 0.000 0.424 439 I N 5.899 126.595 120.570 0.210 0.000 2.418 439 I HA 0.495 4.640 4.170 -0.042 0.000 0.287 439 I C -0.901 175.392 176.117 0.293 0.000 1.008 439 I CA -0.620 60.867 61.300 0.312 0.000 1.104 439 I CB 1.893 40.069 38.000 0.293 0.000 1.264 439 I HN 0.429 nan 8.210 nan 0.000 0.438 440 L N 7.280 128.667 121.223 0.274 0.000 2.341 440 L HA 0.615 4.930 4.340 -0.042 0.000 0.278 440 L C -1.611 175.325 176.870 0.109 0.000 1.005 440 L CA -0.010 54.962 54.840 0.221 0.000 0.818 440 L CB 1.194 43.340 42.059 0.145 0.000 1.259 440 L HN 0.264 nan 8.230 nan 0.000 0.418 441 F N 6.477 126.610 119.950 0.305 0.000 2.375 441 F HA 0.570 5.072 4.527 -0.042 0.000 0.361 441 F C -0.013 175.948 175.800 0.267 0.000 1.117 441 F CA -0.277 57.926 58.000 0.338 0.000 1.037 441 F CB 1.343 40.600 39.000 0.428 0.000 1.192 441 F HN 0.362 nan 8.300 nan 0.000 0.452 442 I N 2.058 122.813 120.570 0.308 0.000 2.647 442 I HA 0.697 4.842 4.170 -0.042 0.000 0.295 442 I C 0.166 176.397 176.117 0.191 0.000 1.078 442 I CA -0.564 60.867 61.300 0.219 0.000 1.048 442 I CB 1.628 39.711 38.000 0.137 0.000 1.239 442 I HN 0.594 nan 8.210 nan 0.000 0.421 443 G N 3.764 112.668 108.800 0.174 0.000 2.569 443 G HA2 0.087 4.022 3.960 -0.042 0.000 0.249 443 G HA3 0.087 4.022 3.960 -0.042 0.000 0.249 443 G C 0.651 175.593 174.900 0.071 0.000 1.216 443 G CA 0.121 45.306 45.100 0.142 0.000 0.845 443 G HN 0.816 nan 8.290 nan 0.000 0.568 444 D N 0.761 121.181 120.400 0.033 0.000 2.149 444 D HA -0.129 4.486 4.640 -0.042 0.000 0.198 444 D C 2.171 178.473 176.300 0.003 0.000 0.990 444 D CA 1.556 55.545 54.000 -0.018 0.000 0.839 444 D CB -0.924 39.899 40.800 0.037 0.000 0.948 444 D HN 0.470 nan 8.370 nan 0.000 0.460 445 G N 0.091 108.954 108.800 0.104 0.000 2.404 445 G HA2 -0.231 3.704 3.960 -0.042 0.000 0.215 445 G HA3 -0.231 3.704 3.960 -0.042 0.000 0.215 445 G C 1.871 176.880 174.900 0.182 0.000 1.174 445 G CA 1.093 46.346 45.100 0.255 0.000 0.780 445 G HN 0.373 nan 8.290 nan 0.000 0.537 446 S N 0.328 116.104 115.700 0.127 0.000 2.383 446 S HA -0.091 4.354 4.470 -0.042 0.000 0.227 446 S C 2.161 176.816 174.600 0.093 0.000 1.026 446 S CA 0.985 59.240 58.200 0.092 0.000 0.981 446 S CB -0.288 62.966 63.200 0.090 0.000 0.818 446 S HN 0.246 nan 8.310 nan 0.000 0.472 447 L N 2.213 123.482 121.223 0.077 0.000 2.081 447 L HA -0.191 4.124 4.340 -0.042 0.000 0.212 447 L C 2.155 179.111 176.870 0.143 0.000 1.080 447 L CA 1.770 56.676 54.840 0.109 0.000 0.754 447 L CB -0.686 41.430 42.059 0.095 0.000 0.893 447 L HN 0.320 nan 8.230 nan 0.000 0.433 448 Q N -1.261 118.532 119.800 -0.012 0.000 2.226 448 Q HA -0.182 4.133 4.340 -0.042 0.000 0.204 448 Q C 2.072 178.213 176.000 0.235 0.000 0.975 448 Q CA 1.277 57.065 55.803 -0.025 0.000 0.866 448 Q CB -0.186 28.337 28.738 -0.360 0.000 0.915 448 Q HN 0.429 nan 8.270 nan 0.000 0.440 449 L N -0.162 121.172 121.223 0.185 0.000 2.217 449 L HA -0.072 4.243 4.340 -0.042 0.000 0.211 449 L C 1.868 178.879 176.870 0.235 0.000 1.107 449 L CA 1.641 56.606 54.840 0.208 0.000 0.783 449 L CB -0.056 42.115 42.059 0.187 0.000 0.919 449 L HN 0.289 nan 8.230 nan 0.000 0.442 450 T N -6.829 107.868 114.554 0.239 0.000 3.332 450 T HA 0.108 4.433 4.350 -0.042 0.000 0.304 450 T C 1.288 176.113 174.700 0.209 0.000 0.971 450 T CA 0.264 62.501 62.100 0.227 0.000 0.954 450 T CB -0.339 68.678 68.868 0.250 0.000 1.175 450 T HN -0.129 nan 8.240 nan 0.000 0.519 451 V N 2.674 122.759 119.914 0.286 0.000 2.453 451 V HA -0.251 3.844 4.120 -0.042 0.000 0.252 451 V C 2.749 178.983 176.094 0.234 0.000 1.068 451 V CA 2.672 65.185 62.300 0.355 0.000 1.070 451 V CB -0.401 31.777 31.823 0.593 0.000 0.664 451 V HN 0.763 nan 8.190 nan 0.000 0.461 452 Q N -0.715 119.134 119.800 0.081 0.000 2.364 452 Q HA -0.229 4.086 4.340 -0.042 0.000 0.207 452 Q C 1.737 177.564 176.000 -0.287 0.000 0.970 452 Q CA 1.731 57.369 55.803 -0.275 0.000 0.888 452 Q CB -0.469 28.159 28.738 -0.183 0.000 0.951 452 Q HN 0.611 nan 8.270 nan 0.000 0.469 453 E N 1.138 121.297 120.200 -0.067 0.000 2.418 453 E HA 0.061 4.386 4.350 -0.042 0.000 0.197 453 E C 1.700 178.279 176.600 -0.035 0.000 1.026 453 E CA 0.245 56.625 56.400 -0.034 0.000 0.862 453 E CB -0.307 29.416 29.700 0.038 0.000 0.799 453 E HN 0.485 nan 8.360 nan 0.000 0.518 454 I N -0.373 120.182 120.570 -0.024 0.000 2.361 454 I HA -0.294 3.851 4.170 -0.042 0.000 0.251 454 I C 2.347 178.451 176.117 -0.021 0.000 1.133 454 I CA 1.080 62.405 61.300 0.042 0.000 1.413 454 I CB -0.356 37.771 38.000 0.213 0.000 1.073 454 I HN 0.121 nan 8.210 nan 0.000 0.424 455 S N 0.503 116.055 115.700 -0.247 0.000 2.372 455 S HA -0.253 4.192 4.470 -0.042 0.000 0.227 455 S C 2.055 176.622 174.600 -0.056 0.000 1.044 455 S CA 2.536 60.598 58.200 -0.230 0.000 1.050 455 S CB -0.410 62.516 63.200 -0.457 0.000 0.901 455 S HN 0.477 nan 8.310 nan 0.000 0.447 456 T N 2.210 116.755 114.554 -0.014 0.000 2.904 456 T HA 0.042 4.367 4.350 -0.042 0.000 0.267 456 T C 1.833 176.627 174.700 0.157 0.000 1.059 456 T CA 1.497 63.673 62.100 0.126 0.000 1.137 456 T CB -0.302 68.670 68.868 0.173 0.000 0.879 456 T HN 0.438 nan 8.240 nan 0.000 0.467 457 M N 0.537 120.163 119.600 0.044 0.000 2.080 457 M HA -0.032 4.423 4.480 -0.042 0.000 0.260 457 M C 2.189 178.507 176.300 0.030 0.000 1.068 457 M CA 1.764 57.056 55.300 -0.013 0.000 1.109 457 M CB -0.705 31.876 32.600 -0.032 0.000 1.342 457 M HN 0.189 nan 8.290 nan 0.000 0.405 458 I N -0.456 120.132 120.570 0.031 0.000 2.179 458 I HA -0.307 3.838 4.170 -0.042 0.000 0.242 458 I C 2.721 178.843 176.117 0.009 0.000 1.088 458 I CA 1.354 62.669 61.300 0.025 0.000 1.357 458 I CB -0.520 37.498 38.000 0.030 0.000 1.051 458 I HN 0.293 nan 8.210 nan 0.000 0.409 459 R N 0.163 120.660 120.500 -0.006 0.000 2.117 459 R HA -0.216 4.098 4.340 -0.042 0.000 0.243 459 R C 1.522 177.664 176.300 -0.263 0.000 1.143 459 R CA 1.919 57.940 56.100 -0.132 0.000 0.968 459 R CB -0.171 30.051 30.300 -0.130 0.000 0.863 459 R HN 0.399 nan 8.270 nan 0.000 0.444 460 W N -0.606 120.703 121.300 0.015 0.000 3.239 460 W HA 0.316 4.951 4.660 -0.042 0.000 0.348 460 W C 0.886 177.399 176.519 -0.010 0.000 1.183 460 W CA 0.340 57.706 57.345 0.035 0.000 1.819 460 W CB 0.653 30.161 29.460 0.079 0.000 1.091 460 W HN 0.297 nan 8.180 nan 0.000 0.629 461 G N 1.600 110.470 108.800 0.115 0.000 2.249 461 G HA2 -0.323 3.612 3.960 -0.042 0.000 0.273 461 G HA3 -0.323 3.612 3.960 -0.042 0.000 0.273 461 G C 0.032 174.959 174.900 0.046 0.000 1.036 461 G CA -0.132 45.007 45.100 0.064 0.000 0.824 461 G HN 0.199 nan 8.290 nan 0.000 0.504 462 L N -1.138 120.095 121.223 0.016 0.000 2.417 462 L HA 0.450 4.765 4.340 -0.042 0.000 0.268 462 L C 1.110 177.945 176.870 -0.058 0.000 1.158 462 L CA -0.119 54.688 54.840 -0.055 0.000 0.819 462 L CB 0.911 42.865 42.059 -0.176 0.000 1.112 462 L HN 0.107 nan 8.230 nan 0.000 0.458 463 K N 2.162 122.520 120.400 -0.071 0.000 3.202 463 K HA 0.274 4.569 4.320 -0.042 0.000 0.206 463 K C -2.441 174.069 176.600 -0.150 0.000 1.142 463 K CA -1.295 54.925 56.287 -0.112 0.000 0.979 463 K CB 0.408 32.843 32.500 -0.108 0.000 0.863 463 K HN 0.341 nan 8.250 nan 0.000 0.479 464 P HA -0.007 nan 4.420 nan 0.000 0.274 464 P C -0.837 176.405 177.300 -0.097 0.000 1.246 464 P CA -0.157 62.937 63.100 -0.011 0.000 0.795 464 P CB 0.546 32.257 31.700 0.019 0.000 1.006 465 Y N 0.261 120.563 120.300 0.005 0.000 2.367 465 Y HA 0.333 4.858 4.550 -0.042 0.000 0.342 465 Y C 0.519 176.404 175.900 -0.025 0.000 0.979 465 Y CA -0.315 57.761 58.100 -0.041 0.000 1.161 465 Y CB 0.645 39.179 38.460 0.124 0.000 1.155 465 Y HN 0.028 nan 8.280 nan 0.000 0.503 466 L N 5.594 126.800 121.223 -0.027 0.000 2.297 466 L HA 0.388 4.703 4.340 -0.042 0.000 0.277 466 L C -1.029 175.767 176.870 -0.123 0.000 1.040 466 L CA -0.332 54.498 54.840 -0.017 0.000 0.867 466 L CB 0.072 42.125 42.059 -0.010 0.000 1.244 466 L HN 0.515 nan 8.230 nan 0.000 0.433 467 F N 2.491 122.316 119.950 -0.209 0.000 2.404 467 F HA 0.310 4.812 4.527 -0.042 0.000 0.358 467 F C 0.348 176.064 175.800 -0.139 0.000 1.120 467 F CA -0.553 57.275 58.000 -0.287 0.000 1.144 467 F CB 1.313 39.775 39.000 -0.896 0.000 1.133 467 F HN 0.063 nan 8.300 nan 0.000 0.495 468 V N 5.718 125.677 119.914 0.076 0.000 2.370 468 V HA 0.249 4.344 4.120 -0.042 0.000 0.283 468 V C 0.091 176.229 176.094 0.073 0.000 1.023 468 V CA -0.828 61.481 62.300 0.016 0.000 0.857 468 V CB 1.453 33.169 31.823 -0.178 0.000 0.985 468 V HN 0.507 nan 8.190 nan 0.000 0.443 469 L N 4.836 126.138 121.223 0.132 0.000 2.312 469 L HA 0.358 4.673 4.340 -0.042 0.000 0.287 469 L C 0.504 177.423 176.870 0.083 0.000 1.091 469 L CA -0.147 54.786 54.840 0.156 0.000 0.846 469 L CB 0.166 42.363 42.059 0.230 0.000 1.219 469 L HN 0.577 nan 8.230 nan 0.000 0.439 470 N N 3.739 122.483 118.700 0.075 0.000 2.482 470 N HA 0.030 4.744 4.740 -0.042 0.000 0.242 470 N C 0.129 175.676 175.510 0.062 0.000 1.100 470 N CA -0.264 52.836 53.050 0.084 0.000 0.946 470 N CB 0.435 39.010 38.487 0.146 0.000 1.227 470 N HN 0.542 nan 8.380 nan 0.000 0.508 471 N N 1.657 120.380 118.700 0.037 0.000 2.282 471 N HA 0.099 4.814 4.740 -0.042 0.000 0.240 471 N C -0.555 174.919 175.510 -0.061 0.000 1.182 471 N CA -0.450 52.595 53.050 -0.010 0.000 0.874 471 N CB 0.091 38.575 38.487 -0.005 0.000 1.126 471 N HN 0.270 nan 8.380 nan 0.000 0.516 472 D N -0.522 119.855 120.400 -0.039 0.000 2.697 472 D HA -0.068 4.547 4.640 -0.042 0.000 0.238 472 D C 0.513 176.729 176.300 -0.140 0.000 1.152 472 D CA 1.872 55.823 54.000 -0.081 0.000 0.666 472 D CB -1.233 39.514 40.800 -0.090 0.000 1.037 472 D HN 0.877 nan 8.370 nan 0.000 0.423 473 G N -0.417 108.304 108.800 -0.131 0.000 2.280 473 G HA2 0.007 3.941 3.960 -0.042 0.000 0.277 473 G HA3 0.007 3.941 3.960 -0.042 0.000 0.277 473 G C -1.254 173.616 174.900 -0.050 0.000 1.288 473 G CA -0.443 44.526 45.100 -0.218 0.000 1.075 473 G HN 0.168 nan 8.290 nan 0.000 0.480 474 Y N 1.743 122.021 120.300 -0.037 0.000 2.714 474 Y HA 0.513 5.038 4.550 -0.041 0.000 0.333 474 Y C 1.944 177.838 175.900 -0.010 0.000 1.220 474 Y CA -0.057 58.041 58.100 -0.003 0.000 1.513 474 Y CB 0.532 39.013 38.460 0.035 0.000 1.435 474 Y HN 0.713 nan 8.280 nan 0.000 0.489 475 T N 1.647 116.273 114.554 0.119 0.000 2.737 475 T HA -0.199 4.126 4.350 -0.042 0.000 0.265 475 T C 2.128 176.867 174.700 0.066 0.000 1.038 475 T CA 1.655 63.783 62.100 0.046 0.000 1.144 475 T CB -0.196 68.679 68.868 0.012 0.000 0.866 475 T HN 0.705 nan 8.240 nan 0.000 0.434 476 I N 0.310 120.908 120.570 0.047 0.000 2.194 476 I HA -0.267 3.878 4.170 -0.042 0.000 0.246 476 I C 2.579 178.704 176.117 0.014 0.000 1.093 476 I CA 1.860 63.145 61.300 -0.024 0.000 1.355 476 I CB -0.248 37.718 38.000 -0.056 0.000 1.046 476 I HN 0.440 nan 8.210 nan 0.000 0.413 477 Q N 0.431 120.281 119.800 0.083 0.000 2.079 477 Q HA -0.229 4.086 4.340 -0.042 0.000 0.200 477 Q C 2.191 178.289 176.000 0.163 0.000 0.974 477 Q CA 1.561 57.444 55.803 0.134 0.000 0.840 477 Q CB -0.129 28.726 28.738 0.195 0.000 0.898 477 Q HN 0.544 nan 8.270 nan 0.000 0.430 478 K N 0.582 121.080 120.400 0.163 0.000 2.211 478 K HA -0.123 4.171 4.320 -0.042 0.000 0.204 478 K C 1.935 178.633 176.600 0.165 0.000 1.047 478 K CA 0.926 57.321 56.287 0.180 0.000 0.935 478 K CB -0.073 32.556 32.500 0.215 0.000 0.728 478 K HN 0.201 nan 8.250 nan 0.000 0.452 479 L N 0.277 121.573 121.223 0.120 0.000 2.313 479 L HA -0.035 4.280 4.340 -0.042 0.000 0.214 479 L C 2.072 178.966 176.870 0.042 0.000 1.119 479 L CA 0.572 55.450 54.840 0.062 0.000 0.809 479 L CB -0.232 41.832 42.059 0.008 0.000 0.933 479 L HN 0.150 nan 8.230 nan 0.000 0.449 480 I N -1.627 118.985 120.570 0.071 0.000 2.339 480 I HA -0.083 4.062 4.170 -0.042 0.000 0.245 480 I C 0.604 176.836 176.117 0.192 0.000 1.096 480 I CA 0.682 62.041 61.300 0.098 0.000 1.408 480 I CB 0.228 38.287 38.000 0.098 0.000 1.092 480 I HN 0.231 nan 8.210 nan 0.000 0.423 481 H N -0.617 118.508 119.070 0.092 0.000 3.156 481 H HA 0.415 4.947 4.556 -0.041 0.000 0.319 481 H C -0.298 175.130 175.328 0.167 0.000 1.067 481 H CA -0.125 55.992 56.048 0.114 0.000 1.417 481 H CB 1.076 30.909 29.762 0.119 0.000 2.050 481 H HN 0.216 nan 8.280 nan 0.000 0.473 482 G N 5.502 114.119 108.800 -0.304 0.000 2.520 482 G HA2 -0.176 3.758 3.960 -0.042 0.000 0.264 482 G HA3 -0.176 3.758 3.960 -0.042 0.000 0.264 482 G C -1.855 172.995 174.900 -0.083 0.000 1.140 482 G CA -0.139 44.832 45.100 -0.214 0.000 1.012 482 G HN 0.567 nan 8.290 nan 0.000 0.511 483 P HA -0.058 nan 4.420 nan 0.000 0.219 483 P C 1.042 178.453 177.300 0.186 0.000 1.146 483 P CA 1.288 64.485 63.100 0.160 0.000 0.808 483 P CB 0.145 31.871 31.700 0.044 0.000 0.779 484 K N -1.224 119.190 120.400 0.023 0.000 2.469 484 K HA 0.352 4.647 4.320 -0.042 0.000 0.204 484 K C 0.435 176.957 176.600 -0.129 0.000 1.047 484 K CA -0.368 55.914 56.287 -0.008 0.000 1.072 484 K CB 0.898 33.405 32.500 0.012 0.000 0.863 484 K HN -0.019 nan 8.250 nan 0.000 0.530 485 A N 1.329 123.995 122.820 -0.257 0.000 2.477 485 A HA 0.019 4.314 4.320 -0.042 0.000 0.246 485 A C 0.918 178.216 177.584 -0.476 0.000 1.078 485 A CA -0.012 51.726 52.037 -0.499 0.000 0.770 485 A CB 0.387 18.748 19.000 -1.065 0.000 1.011 485 A HN 0.318 nan 8.150 nan 0.000 0.494 486 Q N 0.738 120.342 119.800 -0.325 0.000 2.224 486 Q HA -0.197 4.118 4.340 -0.042 0.000 0.203 486 Q C 1.191 177.124 176.000 -0.112 0.000 0.970 486 Q CA 2.004 57.706 55.803 -0.167 0.000 0.865 486 Q CB -0.305 28.395 28.738 -0.063 0.000 0.922 486 Q HN 1.075 nan 8.270 nan 0.000 0.445 487 Y N -1.043 119.284 120.300 0.044 0.000 2.497 487 Y HA 0.015 4.541 4.550 -0.041 0.000 0.292 487 Y C 1.225 177.191 175.900 0.111 0.000 1.137 487 Y CA 0.472 58.620 58.100 0.080 0.000 1.285 487 Y CB -0.379 38.145 38.460 0.107 0.000 0.991 487 Y HN 0.006 nan 8.280 nan 0.000 0.556 488 N N 0.307 119.005 118.700 -0.003 0.000 2.336 488 N HA -0.009 4.706 4.740 -0.042 0.000 0.189 488 N C -0.216 175.158 175.510 -0.227 0.000 1.113 488 N CA 0.344 53.444 53.050 0.085 0.000 0.858 488 N CB 0.067 38.596 38.487 0.071 0.000 0.970 488 N HN 0.484 nan 8.380 nan 0.000 0.471 489 E N 0.536 120.586 120.200 -0.249 0.000 2.227 489 E HA 0.416 4.741 4.350 -0.042 0.000 0.268 489 E C 0.395 176.775 176.600 -0.367 0.000 0.990 489 E CA -0.622 55.604 56.400 -0.289 0.000 0.856 489 E CB 2.185 31.781 29.700 -0.174 0.000 1.159 489 E HN 0.155 nan 8.360 nan 0.000 0.401 490 I N -1.999 118.366 120.570 -0.341 0.000 2.934 490 I HA 0.396 4.541 4.170 -0.042 0.000 0.306 490 I C -0.330 175.679 176.117 -0.179 0.000 1.110 490 I CA -1.447 59.668 61.300 -0.307 0.000 1.019 490 I CB 1.946 39.694 38.000 -0.420 0.000 1.227 490 I HN 0.130 nan 8.210 nan 0.000 0.434 491 Q N 2.497 122.229 119.800 -0.114 0.000 2.300 491 Q HA 0.389 4.704 4.340 -0.042 0.000 0.280 491 Q C -0.065 175.905 176.000 -0.050 0.000 1.033 491 Q CA 0.443 56.242 55.803 -0.005 0.000 0.903 491 Q CB 1.113 29.945 28.738 0.157 0.000 1.195 491 Q HN 0.901 nan 8.270 nan 0.000 0.386 492 G N 4.021 112.837 108.800 0.026 0.000 2.349 492 G HA2 0.318 4.253 3.960 -0.042 0.000 0.281 492 G HA3 0.318 4.253 3.960 -0.042 0.000 0.281 492 G C -1.209 173.809 174.900 0.196 0.000 1.182 492 G CA -0.547 44.564 45.100 0.018 0.000 0.899 492 G HN 0.498 nan 8.290 nan 0.000 0.455 493 W N 0.713 121.868 121.300 -0.241 0.000 2.509 493 W HA 0.367 5.002 4.660 -0.042 0.000 0.351 493 W C -0.119 176.135 176.519 -0.442 0.000 1.107 493 W CA -1.484 55.673 57.345 -0.313 0.000 1.264 493 W CB 1.322 30.598 29.460 -0.306 0.000 1.312 493 W HN 0.423 nan 8.180 nan 0.000 0.608 494 D N 0.619 120.972 120.400 -0.079 0.000 2.494 494 D HA 0.077 4.692 4.640 -0.042 0.000 0.217 494 D C 1.067 177.325 176.300 -0.071 0.000 1.153 494 D CA 0.122 54.061 54.000 -0.102 0.000 0.954 494 D CB -0.128 40.622 40.800 -0.084 0.000 1.034 494 D HN 0.387 nan 8.370 nan 0.000 0.518 495 H N 1.978 121.113 119.070 0.108 0.000 2.352 495 H HA -0.095 4.436 4.556 -0.042 0.000 0.299 495 H C 1.719 177.055 175.328 0.014 0.000 1.097 495 H CA 1.236 57.345 56.048 0.100 0.000 1.311 495 H CB 0.328 30.157 29.762 0.112 0.000 1.377 495 H HN 0.370 nan 8.280 nan 0.000 0.504 496 L N 0.599 121.888 121.223 0.111 0.000 2.465 496 L HA -0.073 4.242 4.340 -0.042 0.000 0.224 496 L C 2.064 178.906 176.870 -0.047 0.000 1.145 496 L CA 0.881 55.742 54.840 0.035 0.000 0.834 496 L CB -0.288 41.795 42.059 0.040 0.000 0.944 496 L HN 0.363 nan 8.230 nan 0.000 0.451 497 S N -0.925 114.728 115.700 -0.080 0.000 2.593 497 S HA 0.054 4.499 4.470 -0.042 0.000 0.217 497 S C 1.717 176.154 174.600 -0.272 0.000 0.966 497 S CA -0.057 58.048 58.200 -0.158 0.000 0.914 497 S CB -0.144 62.970 63.200 -0.144 0.000 0.776 497 S HN 0.355 nan 8.310 nan 0.000 0.523 498 L N 0.672 121.743 121.223 -0.253 0.000 2.017 498 L HA -0.055 4.260 4.340 -0.042 0.000 0.208 498 L C 2.559 179.155 176.870 -0.456 0.000 1.073 498 L CA 1.358 55.947 54.840 -0.418 0.000 0.745 498 L CB -0.662 41.292 42.059 -0.175 0.000 0.894 498 L HN 0.326 nan 8.230 nan 0.000 0.432 499 L N -0.184 120.845 121.223 -0.324 0.000 1.971 499 L HA -0.180 4.135 4.340 -0.042 0.000 0.215 499 L C -0.169 176.426 176.870 -0.458 0.000 1.072 499 L CA 1.661 56.278 54.840 -0.373 0.000 0.758 499 L CB -1.981 39.750 42.059 -0.547 0.000 0.889 499 L HN 0.250 nan 8.230 nan 0.000 0.433 500 P HA -0.123 nan 4.420 nan 0.000 0.218 500 P C 1.548 178.713 177.300 -0.225 0.000 1.149 500 P CA 1.458 64.341 63.100 -0.361 0.000 0.817 500 P CB -0.177 31.374 31.700 -0.247 0.000 0.785 501 T N -0.318 114.050 114.554 -0.310 0.000 2.759 501 T HA -0.106 4.219 4.350 -0.042 0.000 0.269 501 T C 0.995 175.583 174.700 -0.187 0.000 1.042 501 T CA 1.188 63.098 62.100 -0.316 0.000 1.140 501 T CB -0.667 67.902 68.868 -0.499 0.000 0.864 501 T HN -0.005 nan 8.240 nan 0.000 0.455 502 F N 0.607 120.491 119.950 -0.110 0.000 2.773 502 F HA 0.405 4.907 4.527 -0.041 0.000 0.304 502 F C 1.882 177.638 175.800 -0.074 0.000 1.129 502 F CA -0.586 57.366 58.000 -0.080 0.000 1.378 502 F CB -0.718 38.242 39.000 -0.066 0.000 1.095 502 F HN 0.281 nan 8.300 nan 0.000 0.565 503 G N -0.093 108.742 108.800 0.058 0.000 2.141 503 G HA2 -0.090 3.845 3.960 -0.042 0.000 0.231 503 G HA3 -0.090 3.845 3.960 -0.042 0.000 0.231 503 G C 0.447 175.355 174.900 0.012 0.000 0.984 503 G CA -0.189 44.926 45.100 0.026 0.000 0.660 503 G HN 0.629 nan 8.290 nan 0.000 0.525 504 A N -0.271 122.531 122.820 -0.030 0.000 2.520 504 A HA 0.637 4.932 4.320 -0.042 0.000 0.245 504 A C 1.179 178.840 177.584 0.129 0.000 1.072 504 A CA 1.343 53.380 52.037 0.001 0.000 0.761 504 A CB 0.315 19.229 19.000 -0.144 0.000 1.004 504 A HN 0.473 nan 8.150 nan 0.000 0.499 505 K N 0.440 120.938 120.400 0.164 0.000 2.329 505 K HA 0.071 4.366 4.320 -0.042 0.000 0.198 505 K C -0.373 176.319 176.600 0.154 0.000 1.085 505 K CA 0.417 56.798 56.287 0.157 0.000 0.961 505 K CB 0.448 32.985 32.500 0.063 0.000 0.971 505 K HN 0.711 nan 8.250 nan 0.000 0.502 506 D N 0.588 121.074 120.400 0.144 0.000 2.461 506 D HA 0.173 4.787 4.640 -0.042 0.000 0.240 506 D C -1.435 174.933 176.300 0.114 0.000 1.094 506 D CA -0.520 53.506 54.000 0.043 0.000 0.868 506 D CB 0.409 41.216 40.800 0.012 0.000 1.062 506 D HN 0.070 nan 8.370 nan 0.000 0.530 507 Y N -0.269 119.994 120.300 -0.062 0.000 2.677 507 Y HA 0.626 5.151 4.550 -0.042 0.000 0.334 507 Y C -1.373 174.470 175.900 -0.096 0.000 1.196 507 Y CA -1.105 56.946 58.100 -0.081 0.000 1.059 507 Y CB 1.017 39.434 38.460 -0.072 0.000 1.315 507 Y HN 0.045 nan 8.280 nan 0.000 0.455 508 E N 1.148 121.345 120.200 -0.005 0.000 2.266 508 E HA 0.579 4.904 4.350 -0.042 0.000 0.268 508 E C -1.294 175.267 176.600 -0.065 0.000 0.879 508 E CA -1.142 55.181 56.400 -0.129 0.000 0.762 508 E CB 2.587 32.237 29.700 -0.083 0.000 1.199 508 E HN 0.776 nan 8.360 nan 0.000 0.422 509 T N -0.444 113.979 114.554 -0.218 0.000 2.908 509 T HA 0.567 4.892 4.350 -0.042 0.000 0.290 509 T C -0.600 173.769 174.700 -0.552 0.000 1.034 509 T CA -0.888 61.084 62.100 -0.213 0.000 1.010 509 T CB 1.497 70.362 68.868 -0.005 0.000 1.068 509 T HN 0.384 nan 8.240 nan 0.000 0.481 510 H N 0.565 119.636 119.070 0.003 0.000 2.974 510 H HA 0.504 5.035 4.556 -0.042 0.000 0.366 510 H C -0.854 174.463 175.328 -0.018 0.000 1.155 510 H CA -0.706 55.326 56.048 -0.026 0.000 1.186 510 H CB 2.427 32.141 29.762 -0.080 0.000 1.799 510 H HN 0.699 nan 8.280 nan 0.000 0.541 511 R N 1.825 122.393 120.500 0.114 0.000 2.514 511 R HA 0.553 4.868 4.340 -0.042 0.000 0.301 511 R C -1.035 175.315 176.300 0.083 0.000 0.962 511 R CA -0.839 55.316 56.100 0.091 0.000 0.882 511 R CB 1.223 31.567 30.300 0.073 0.000 1.143 511 R HN 0.418 nan 8.270 nan 0.000 0.452 512 V N 0.913 120.889 119.914 0.103 0.000 2.656 512 V HA 0.850 4.945 4.120 -0.042 0.000 0.307 512 V C -0.316 175.852 176.094 0.124 0.000 1.051 512 V CA -0.112 62.258 62.300 0.117 0.000 0.893 512 V CB 1.573 33.501 31.823 0.176 0.000 0.999 512 V HN 0.922 nan 8.190 nan 0.000 0.426 513 A N 3.159 126.026 122.820 0.078 0.000 2.530 513 A HA 0.619 4.914 4.320 -0.042 0.000 0.214 513 A C 0.871 178.448 177.584 -0.012 0.000 1.352 513 A CA 0.702 52.762 52.037 0.039 0.000 1.035 513 A CB 0.199 19.213 19.000 0.023 0.000 1.296 513 A HN 1.421 nan 8.150 nan 0.000 0.563 514 T N -4.417 110.128 114.554 -0.014 0.000 2.916 514 T HA 0.455 4.780 4.350 -0.042 0.000 0.292 514 T C 0.830 175.457 174.700 -0.121 0.000 1.055 514 T CA 0.444 62.487 62.100 -0.095 0.000 1.009 514 T CB 1.274 70.096 68.868 -0.076 0.000 1.118 514 T HN -0.107 nan 8.240 nan 0.000 0.497 515 T N 1.448 115.797 114.554 -0.342 0.000 2.759 515 T HA -0.013 4.312 4.350 -0.042 0.000 0.269 515 T C 2.235 176.900 174.700 -0.058 0.000 1.042 515 T CA 1.973 63.774 62.100 -0.497 0.000 1.140 515 T CB -0.945 67.364 68.868 -0.931 0.000 0.864 515 T HN 0.877 nan 8.240 nan 0.000 0.455 516 G N 1.180 109.950 108.800 -0.050 0.000 2.421 516 G HA2 -0.200 3.735 3.960 -0.042 0.000 0.216 516 G HA3 -0.200 3.735 3.960 -0.042 0.000 0.216 516 G C 1.446 176.377 174.900 0.052 0.000 1.171 516 G CA 0.727 45.842 45.100 0.024 0.000 0.775 516 G HN 0.512 nan 8.290 nan 0.000 0.543 517 E N -0.726 119.496 120.200 0.038 0.000 2.085 517 E HA -0.152 4.173 4.350 -0.042 0.000 0.194 517 E C 2.027 178.649 176.600 0.036 0.000 0.994 517 E CA 0.816 57.229 56.400 0.021 0.000 0.801 517 E CB -0.245 29.471 29.700 0.026 0.000 0.743 517 E HN 0.621 nan 8.360 nan 0.000 0.453 518 W N 2.335 123.621 121.300 -0.023 0.000 2.354 518 W HA -0.210 4.425 4.660 -0.042 0.000 0.315 518 W C 1.309 177.843 176.519 0.025 0.000 1.206 518 W CA 1.639 59.005 57.345 0.034 0.000 1.290 518 W CB -0.338 29.247 29.460 0.209 0.000 1.152 518 W HN 0.048 nan 8.180 nan 0.000 0.489 519 D N 0.408 121.039 120.400 0.384 0.000 2.097 519 D HA -0.181 4.434 4.640 -0.042 0.000 0.195 519 D C 2.103 178.412 176.300 0.014 0.000 0.989 519 D CA 1.569 55.716 54.000 0.246 0.000 0.827 519 D CB -0.308 40.671 40.800 0.298 0.000 0.966 519 D HN 0.037 nan 8.370 nan 0.000 0.456 520 K N 0.318 120.706 120.400 -0.020 0.000 2.097 520 K HA -0.085 4.210 4.320 -0.042 0.000 0.205 520 K C 2.109 178.588 176.600 -0.202 0.000 1.050 520 K CA 0.226 56.468 56.287 -0.075 0.000 0.938 520 K CB -0.597 31.872 32.500 -0.051 0.000 0.718 520 K HN 0.177 nan 8.250 nan 0.000 0.442 521 L N 1.344 122.345 121.223 -0.370 0.000 2.044 521 L HA -0.122 4.193 4.340 -0.042 0.000 0.205 521 L C 2.204 178.558 176.870 -0.861 0.000 1.075 521 L CA 2.281 56.701 54.840 -0.700 0.000 0.747 521 L CB -1.057 40.442 42.059 -0.934 0.000 0.903 521 L HN 0.327 nan 8.230 nan 0.000 0.435 522 T N -3.939 110.146 114.554 -0.782 0.000 3.055 522 T HA -0.099 4.226 4.350 -0.042 0.000 0.265 522 T C 1.631 176.313 174.700 -0.030 0.000 1.111 522 T CA 0.963 62.697 62.100 -0.610 0.000 1.118 522 T CB -0.284 68.095 68.868 -0.814 0.000 0.909 522 T HN 0.502 nan 8.240 nan 0.000 0.501 523 Q N 0.816 120.589 119.800 -0.045 0.000 2.424 523 Q HA 0.159 4.474 4.340 -0.042 0.000 0.204 523 Q C 0.178 176.231 176.000 0.088 0.000 0.933 523 Q CA -0.030 55.817 55.803 0.073 0.000 0.929 523 Q CB 0.109 28.883 28.738 0.059 0.000 1.037 523 Q HN 0.594 nan 8.270 nan 0.000 0.511 524 D N 0.736 121.171 120.400 0.057 0.000 2.425 524 D HA -0.049 4.566 4.640 -0.042 0.000 0.247 524 D C 0.993 177.396 176.300 0.172 0.000 1.147 524 D CA 0.166 54.218 54.000 0.087 0.000 0.879 524 D CB 0.850 41.673 40.800 0.039 0.000 1.179 524 D HN -0.231 nan 8.370 nan 0.000 0.456 525 K N 1.987 122.462 120.400 0.124 0.000 2.032 525 K HA -0.161 4.134 4.320 -0.042 0.000 0.209 525 K C 1.846 178.530 176.600 0.141 0.000 1.048 525 K CA 1.572 57.931 56.287 0.121 0.000 0.927 525 K CB -0.429 32.118 32.500 0.079 0.000 0.712 525 K HN 0.622 nan 8.250 nan 0.000 0.441 526 S N -0.086 115.695 115.700 0.135 0.000 2.406 526 S HA -0.128 4.317 4.470 -0.042 0.000 0.228 526 S C 1.991 176.698 174.600 0.178 0.000 1.020 526 S CA 0.632 58.907 58.200 0.125 0.000 0.965 526 S CB -0.655 62.602 63.200 0.095 0.000 0.798 526 S HN 0.347 nan 8.310 nan 0.000 0.488 527 F N 3.278 123.283 119.950 0.090 0.000 2.202 527 F HA 0.028 4.530 4.527 -0.042 0.000 0.301 527 F C 1.995 177.984 175.800 0.316 0.000 1.082 527 F CA 1.395 59.479 58.000 0.141 0.000 1.313 527 F CB -0.486 38.533 39.000 0.032 0.000 1.024 527 F HN 0.229 nan 8.300 nan 0.000 0.495 528 N N 0.060 118.958 118.700 0.329 0.000 2.515 528 N HA -0.100 4.615 4.740 -0.042 0.000 0.185 528 N C -0.288 175.318 175.510 0.160 0.000 1.109 528 N CA 0.439 53.652 53.050 0.271 0.000 0.903 528 N CB -0.251 38.374 38.487 0.230 0.000 0.969 528 N HN 0.295 nan 8.380 nan 0.000 0.450 529 D N 1.108 121.585 120.400 0.129 0.000 2.225 529 D HA 0.029 4.644 4.640 -0.042 0.000 0.248 529 D C 0.032 176.373 176.300 0.068 0.000 1.096 529 D CA -0.586 53.464 54.000 0.083 0.000 0.863 529 D CB 0.508 41.339 40.800 0.051 0.000 1.156 529 D HN 0.074 nan 8.370 nan 0.000 0.450 530 N N 2.072 120.813 118.700 0.068 0.000 3.254 530 N HA -0.055 4.660 4.740 -0.042 0.000 0.308 530 N C 0.304 175.771 175.510 -0.070 0.000 1.281 530 N CA -0.190 52.850 53.050 -0.017 0.000 1.212 530 N CB -0.072 38.452 38.487 0.061 0.000 1.478 530 N HN 0.230 nan 8.380 nan 0.000 0.548 531 S N -0.671 114.979 115.700 -0.083 0.000 2.496 531 S HA -0.003 4.441 4.470 -0.042 0.000 0.224 531 S C 0.546 175.101 174.600 -0.075 0.000 0.996 531 S CA 0.041 58.207 58.200 -0.057 0.000 0.927 531 S CB -0.124 63.055 63.200 -0.035 0.000 0.774 531 S HN 0.689 nan 8.310 nan 0.000 0.524 532 K N -0.247 120.075 120.400 -0.129 0.000 2.607 532 K HA 0.478 4.773 4.320 -0.042 0.000 0.287 532 K C -1.304 175.187 176.600 -0.183 0.000 0.996 532 K CA -1.004 55.216 56.287 -0.113 0.000 0.876 532 K CB 0.860 33.313 32.500 -0.078 0.000 1.496 532 K HN 0.110 nan 8.250 nan 0.000 0.415 533 I N 1.603 122.105 120.570 -0.113 0.000 2.710 533 I HA 0.067 4.212 4.170 -0.042 0.000 0.286 533 I C -0.557 175.482 176.117 -0.130 0.000 1.181 533 I CA 0.121 61.342 61.300 -0.132 0.000 1.430 533 I CB 0.308 38.276 38.000 -0.053 0.000 1.367 533 I HN 0.517 nan 8.210 nan 0.000 0.577 534 R N 7.781 128.149 120.500 -0.219 0.000 2.686 534 R HA 0.558 4.873 4.340 -0.042 0.000 0.286 534 R C -1.113 175.114 176.300 -0.122 0.000 0.969 534 R CA -0.907 55.094 56.100 -0.165 0.000 0.898 534 R CB 2.266 32.397 30.300 -0.282 0.000 1.183 534 R HN 0.620 nan 8.270 nan 0.000 0.456 535 M N 3.358 122.920 119.600 -0.062 0.000 2.321 535 M HA 0.475 4.930 4.480 -0.042 0.000 0.315 535 M C -1.651 174.604 176.300 -0.076 0.000 1.052 535 M CA -0.819 54.434 55.300 -0.079 0.000 0.936 535 M CB 1.438 34.020 32.600 -0.030 0.000 1.639 535 M HN 0.539 nan 8.290 nan 0.000 0.433 536 I N 3.824 124.284 120.570 -0.183 0.000 2.411 536 I HA 0.310 4.455 4.170 -0.042 0.000 0.284 536 I C -0.415 175.684 176.117 -0.030 0.000 1.012 536 I CA -0.228 60.980 61.300 -0.153 0.000 1.119 536 I CB 1.752 39.449 38.000 -0.506 0.000 1.261 536 I HN 0.632 nan 8.210 nan 0.000 0.448 537 E N 6.062 126.291 120.200 0.050 0.000 2.152 537 E HA 0.413 4.738 4.350 -0.042 0.000 0.285 537 E C -1.215 175.468 176.600 0.138 0.000 1.043 537 E CA -0.493 55.961 56.400 0.090 0.000 0.839 537 E CB 0.984 30.757 29.700 0.123 0.000 1.069 537 E HN 0.406 nan 8.360 nan 0.000 0.399 538 V N 6.313 126.334 119.914 0.178 0.000 2.350 538 V HA 0.216 4.311 4.120 -0.042 0.000 0.276 538 V C 0.143 176.325 176.094 0.146 0.000 1.028 538 V CA -0.670 61.765 62.300 0.224 0.000 0.860 538 V CB 1.150 33.174 31.823 0.334 0.000 0.990 538 V HN 0.762 nan 8.190 nan 0.000 0.453 539 M N 6.894 126.563 119.600 0.115 0.000 2.084 539 M HA 0.544 4.999 4.480 -0.042 0.000 0.351 539 M C -0.704 175.623 176.300 0.045 0.000 1.240 539 M CA 0.090 55.434 55.300 0.074 0.000 1.083 539 M CB 0.500 33.135 32.600 0.059 0.000 1.593 539 M HN 0.434 nan 8.290 nan 0.000 0.463 540 L N 4.507 125.752 121.223 0.036 0.000 2.350 540 L HA 0.626 4.941 4.340 -0.042 0.000 0.260 540 L C -2.236 174.635 176.870 0.001 0.000 1.015 540 L CA -1.983 52.866 54.840 0.015 0.000 0.821 540 L CB 2.549 44.624 42.059 0.026 0.000 1.370 540 L HN 0.403 nan 8.230 nan 0.000 0.416 541 P HA 0.074 nan 4.420 nan 0.000 0.272 541 P C 0.790 178.057 177.300 -0.054 0.000 1.223 541 P CA -0.429 62.664 63.100 -0.011 0.000 0.784 541 P CB 0.803 32.515 31.700 0.020 0.000 0.923 542 V N 1.067 120.897 119.914 -0.140 0.000 2.332 542 V HA -0.231 3.864 4.120 -0.042 0.000 0.248 542 V C 1.289 177.098 176.094 -0.476 0.000 1.055 542 V CA 2.020 64.094 62.300 -0.378 0.000 1.038 542 V CB -1.041 30.404 31.823 -0.630 0.000 0.651 542 V HN 0.521 nan 8.190 nan 0.000 0.450 543 F N -0.774 119.179 119.950 0.005 0.000 2.639 543 F HA 0.345 4.847 4.527 -0.042 0.000 0.302 543 F C 0.598 176.401 175.800 0.006 0.000 1.097 543 F CA -1.004 56.997 58.000 0.001 0.000 1.294 543 F CB -0.068 38.926 39.000 -0.010 0.000 1.027 543 F HN 0.068 nan 8.300 nan 0.000 0.550 544 D N 1.594 122.064 120.400 0.117 0.000 2.308 544 D HA 0.565 5.180 4.640 -0.042 0.000 0.251 544 D C -0.396 175.961 176.300 0.095 0.000 1.127 544 D CA 0.289 54.346 54.000 0.094 0.000 0.876 544 D CB 0.984 41.822 40.800 0.063 0.000 1.176 544 D HN 0.219 nan 8.370 nan 0.000 0.446 545 A N 3.656 126.533 122.820 0.095 0.000 2.605 545 A HA 0.579 4.874 4.320 -0.042 0.000 0.294 545 A C -2.814 174.822 177.584 0.086 0.000 1.062 545 A CA -1.280 50.813 52.037 0.094 0.000 0.682 545 A CB 1.055 20.074 19.000 0.033 0.000 1.278 545 A HN 0.445 nan 8.150 nan 0.000 0.410 546 P HA 0.156 nan 4.420 nan 0.000 0.269 546 P C 0.355 177.655 177.300 0.000 0.000 1.209 546 P CA 0.013 63.155 63.100 0.070 0.000 0.776 546 P CB 0.587 32.301 31.700 0.023 0.000 0.876 547 Q N 1.959 121.763 119.800 0.006 0.000 2.167 547 Q HA -0.128 4.187 4.340 -0.042 0.000 0.202 547 Q C 1.613 177.587 176.000 -0.043 0.000 0.970 547 Q CA 1.371 57.164 55.803 -0.017 0.000 0.855 547 Q CB -0.691 28.045 28.738 -0.003 0.000 0.911 547 Q HN 0.593 nan 8.270 nan 0.000 0.438 548 N N 0.734 119.418 118.700 -0.026 0.000 2.205 548 N HA -0.175 4.540 4.740 -0.042 0.000 0.186 548 N C 1.737 177.186 175.510 -0.102 0.000 1.015 548 N CA 0.964 54.006 53.050 -0.012 0.000 0.862 548 N CB -0.658 37.864 38.487 0.057 0.000 0.986 548 N HN 0.189 nan 8.380 nan 0.000 0.429 549 L N 0.973 122.047 121.223 -0.247 0.000 2.072 549 L HA 0.059 4.374 4.340 -0.042 0.000 0.205 549 L C 2.241 178.861 176.870 -0.417 0.000 1.079 549 L CA 0.931 55.355 54.840 -0.695 0.000 0.752 549 L CB -0.715 40.872 42.059 -0.786 0.000 0.906 549 L HN -0.032 nan 8.230 nan 0.000 0.436 550 V N -0.021 119.761 119.914 -0.221 0.000 2.282 550 V HA -0.292 3.803 4.120 -0.042 0.000 0.249 550 V C 2.758 178.779 176.094 -0.121 0.000 1.057 550 V CA 2.128 64.347 62.300 -0.134 0.000 1.032 550 V CB -0.711 31.070 31.823 -0.070 0.000 0.645 550 V HN 0.498 nan 8.190 nan 0.000 0.447 551 E N -0.364 119.770 120.200 -0.110 0.000 2.076 551 E HA -0.193 4.131 4.350 -0.042 0.000 0.190 551 E C 2.253 178.804 176.600 -0.083 0.000 0.979 551 E CA 1.159 57.513 56.400 -0.076 0.000 0.807 551 E CB -0.102 29.567 29.700 -0.050 0.000 0.761 551 E HN 0.615 nan 8.360 nan 0.000 0.454 552 Q N 0.831 120.554 119.800 -0.128 0.000 2.096 552 Q HA -0.113 4.202 4.340 -0.042 0.000 0.204 552 Q C 1.921 177.857 176.000 -0.106 0.000 0.982 552 Q CA 2.195 57.933 55.803 -0.108 0.000 0.850 552 Q CB -0.587 28.049 28.738 -0.170 0.000 0.901 552 Q HN 0.229 nan 8.270 nan 0.000 0.422 553 A N 0.367 123.070 122.820 -0.195 0.000 1.917 553 A HA -0.269 4.026 4.320 -0.042 0.000 0.219 553 A C 2.031 179.597 177.584 -0.031 0.000 1.182 553 A CA 2.029 53.993 52.037 -0.122 0.000 0.633 553 A CB -0.537 18.377 19.000 -0.144 0.000 0.819 553 A HN 0.435 nan 8.150 nan 0.000 0.448 554 K N -0.528 119.852 120.400 -0.035 0.000 2.097 554 K HA 0.023 4.318 4.320 -0.042 0.000 0.205 554 K C 1.815 178.421 176.600 0.010 0.000 1.050 554 K CA 1.236 57.520 56.287 -0.005 0.000 0.938 554 K CB -0.328 32.164 32.500 -0.013 0.000 0.718 554 K HN 0.487 nan 8.250 nan 0.000 0.442 555 L N 0.297 121.524 121.223 0.007 0.000 2.056 555 L HA -0.174 4.141 4.340 -0.042 0.000 0.207 555 L C 2.315 179.211 176.870 0.044 0.000 1.078 555 L CA 1.220 56.074 54.840 0.022 0.000 0.749 555 L CB -0.630 41.438 42.059 0.015 0.000 0.901 555 L HN 0.185 nan 8.230 nan 0.000 0.433 556 T N -0.204 114.390 114.554 0.067 0.000 2.812 556 T HA -0.097 4.228 4.350 -0.042 0.000 0.264 556 T C 2.052 176.787 174.700 0.058 0.000 1.042 556 T CA 1.203 63.359 62.100 0.093 0.000 1.140 556 T CB -0.182 68.800 68.868 0.190 0.000 0.870 556 T HN 0.418 nan 8.240 nan 0.000 0.445 557 A N 1.535 124.384 122.820 0.049 0.000 1.908 557 A HA 0.082 4.377 4.320 -0.042 0.000 0.218 557 A C 2.620 180.217 177.584 0.022 0.000 1.181 557 A CA 1.954 54.013 52.037 0.036 0.000 0.627 557 A CB -1.114 17.922 19.000 0.059 0.000 0.818 557 A HN 0.506 nan 8.150 nan 0.000 0.445 558 A N -1.100 121.737 122.820 0.028 0.000 1.877 558 A HA -0.090 4.205 4.320 -0.042 0.000 0.216 558 A C 2.309 179.905 177.584 0.021 0.000 1.186 558 A CA 2.312 54.363 52.037 0.023 0.000 0.620 558 A CB -1.383 17.631 19.000 0.024 0.000 0.822 558 A HN 0.426 nan 8.150 nan 0.000 0.443 559 T N 0.913 115.485 114.554 0.030 0.000 2.699 559 T HA -0.162 4.163 4.350 -0.042 0.000 0.268 559 T C 1.793 176.502 174.700 0.016 0.000 1.036 559 T CA 1.700 63.820 62.100 0.034 0.000 1.147 559 T CB -0.430 68.471 68.868 0.055 0.000 0.862 559 T HN 0.516 nan 8.240 nan 0.000 0.446 560 N N 1.195 119.898 118.700 0.006 0.000 2.216 560 N HA 0.082 4.797 4.740 -0.042 0.000 0.183 560 N C 1.895 177.391 175.510 -0.023 0.000 1.017 560 N CA 1.092 54.134 53.050 -0.014 0.000 0.861 560 N CB -0.400 38.071 38.487 -0.026 0.000 0.986 560 N HN 0.435 nan 8.380 nan 0.000 0.428 561 A N 0.480 123.288 122.820 -0.020 0.000 2.123 561 A HA 0.013 4.308 4.320 -0.042 0.000 0.214 561 A C 1.105 178.682 177.584 -0.011 0.000 1.152 561 A CA 0.028 52.051 52.037 -0.023 0.000 0.728 561 A CB -0.151 18.836 19.000 -0.021 0.000 0.814 561 A HN 0.150 nan 8.150 nan 0.000 0.464 562 K N 1.489 121.887 120.400 -0.004 0.000 2.416 562 K HA 0.089 4.384 4.320 -0.042 0.000 0.283 562 K C 0.084 176.681 176.600 -0.004 0.000 1.037 562 K CA -0.084 56.203 56.287 -0.000 0.000 0.995 562 K CB 0.345 32.849 32.500 0.006 0.000 0.938 562 K HN 0.308 nan 8.250 nan 0.000 0.475 563 Q N 0.000 119.798 119.800 -0.004 0.000 2.315 563 Q HA 0.000 4.315 4.340 -0.042 0.000 0.214 563 Q CA 0.000 55.800 55.803 -0.005 0.000 1.022 563 Q CB 0.000 28.735 28.738 -0.004 0.000 1.108 563 Q HN 0.000 nan 8.270 nan 0.000 0.481