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 2jgj_1_A DATA FIRST_RESID 1 DATA SEQUENCE EGREDPQLLV RVRGGQLRGI RLKAPGGPVS AFLGIPFAEP PVGSRRFMPP DATA SEQUENCE EPKRPWSGVL DATTFQNVcY QYVDTLYPGF EGTEMWNPNR ELSEDcLYLN DATA SEQUENCE VWTPYPRPAS PTPVLIWIYG GGFYSGAASL DVYDGRFLAQ VEGAVLVSMN DATA SEQUENCE YRVGTFGFLA LPGSREAPGN VGLLDQRLAL QWVQENIAAF GGDPMSVTLF DATA SEQUENCE GEXAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcXXX XXXXNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSYFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPRDSKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.612 176.600 0.020 0.000 1.382 1 E CA 0.000 56.416 56.400 0.026 0.000 0.976 1 E CB 0.000 29.718 29.700 0.031 0.000 0.812 2 G N 0.278 109.090 108.800 0.020 0.000 2.399 2 G HA2 -0.247 3.716 3.960 0.006 0.000 0.216 2 G HA3 -0.247 3.716 3.960 0.006 0.000 0.216 2 G C 1.197 176.107 174.900 0.016 0.000 1.096 2 G CA 0.450 45.560 45.100 0.016 0.000 0.650 2 G HN 0.243 nan 8.290 nan 0.000 0.512 3 R N 1.338 121.849 120.500 0.017 0.000 2.282 3 R HA 0.314 4.657 4.340 0.006 0.000 0.195 3 R C 0.920 177.233 176.300 0.020 0.000 0.909 3 R CA 0.405 56.515 56.100 0.017 0.000 1.039 3 R CB 0.043 30.350 30.300 0.013 0.000 1.015 3 R HN 0.615 nan 8.270 nan 0.000 0.513 4 E N 1.257 121.472 120.200 0.025 0.000 2.392 4 E HA -0.038 4.316 4.350 0.006 0.000 0.256 4 E C -0.269 176.355 176.600 0.040 0.000 1.145 4 E CA -0.192 56.226 56.400 0.031 0.000 0.929 4 E CB 0.453 30.174 29.700 0.036 0.000 0.998 4 E HN -0.105 nan 8.360 nan 0.000 0.442 5 D N 2.208 122.639 120.400 0.051 0.000 2.389 5 D HA -0.027 4.616 4.640 0.006 0.000 0.263 5 D C -1.568 174.773 176.300 0.068 0.000 1.255 5 D CA -1.556 52.489 54.000 0.075 0.000 0.914 5 D CB 0.812 41.681 40.800 0.114 0.000 1.116 5 D HN 0.141 nan 8.370 nan 0.000 0.502 6 P HA -0.165 nan 4.420 nan 0.000 0.225 6 P C 0.952 178.268 177.300 0.025 0.000 1.148 6 P CA 0.766 63.885 63.100 0.032 0.000 0.779 6 P CB 0.413 32.122 31.700 0.016 0.000 0.780 7 Q N -0.328 119.480 119.800 0.014 0.000 2.403 7 Q HA 0.119 4.462 4.340 0.006 0.000 0.203 7 Q C 1.478 177.527 176.000 0.081 0.000 0.932 7 Q CA 0.473 56.256 55.803 -0.034 0.000 0.945 7 Q CB -0.613 27.975 28.738 -0.251 0.000 1.045 7 Q HN 0.229 nan 8.270 nan 0.000 0.511 8 L N -0.012 121.292 121.223 0.134 0.000 2.857 8 L HA 0.331 4.675 4.340 0.006 0.000 0.249 8 L C -0.538 176.511 176.870 0.298 0.000 1.172 8 L CA -0.160 54.801 54.840 0.200 0.000 0.980 8 L CB 0.470 42.572 42.059 0.073 0.000 1.299 8 L HN 0.060 nan 8.230 nan 0.000 0.535 9 L N 0.886 122.233 121.223 0.205 0.000 2.276 9 L HA 0.538 4.882 4.340 0.006 0.000 0.286 9 L C -0.688 176.232 176.870 0.083 0.000 1.024 9 L CA -0.445 54.494 54.840 0.165 0.000 0.826 9 L CB 1.701 43.816 42.059 0.093 0.000 1.211 9 L HN -0.212 nan 8.230 nan 0.000 0.422 10 V N 3.188 123.126 119.914 0.041 0.000 2.823 10 V HA 0.509 4.633 4.120 0.006 0.000 0.312 10 V C -0.277 175.724 176.094 -0.156 0.000 1.072 10 V CA -0.776 61.395 62.300 -0.214 0.000 0.937 10 V CB 2.722 34.138 31.823 -0.680 0.000 1.013 10 V HN 0.716 nan 8.190 nan 0.000 0.430 11 R N 2.434 122.814 120.500 -0.200 0.000 2.393 11 R HA 0.791 5.135 4.340 0.006 0.000 0.310 11 R C -0.883 175.308 176.300 -0.182 0.000 0.968 11 R CA -0.330 55.692 56.100 -0.130 0.000 0.867 11 R CB 1.722 31.953 30.300 -0.114 0.000 1.124 11 R HN 0.699 nan 8.270 nan 0.000 0.450 12 V N 1.843 121.710 119.914 -0.078 0.000 3.158 12 V HA 0.500 4.623 4.120 0.006 0.000 0.315 12 V C 1.130 177.143 176.094 -0.135 0.000 1.148 12 V CA -1.040 61.210 62.300 -0.084 0.000 1.042 12 V CB 1.682 33.591 31.823 0.144 0.000 1.101 12 V HN 0.858 nan 8.190 nan 0.000 0.448 13 R N 1.645 122.052 120.500 -0.155 0.000 2.154 13 R HA -0.052 4.292 4.340 0.006 0.000 0.248 13 R C 1.765 177.932 176.300 -0.221 0.000 1.155 13 R CA 2.471 58.477 56.100 -0.158 0.000 0.979 13 R CB -1.143 29.081 30.300 -0.126 0.000 0.869 13 R HN 1.050 nan 8.270 nan 0.000 0.452 14 G N -2.026 106.602 108.800 -0.287 0.000 2.777 14 G HA2 0.388 4.352 3.960 0.006 0.000 0.211 14 G HA3 0.388 4.352 3.960 0.006 0.000 0.211 14 G C 0.354 174.300 174.900 -1.589 0.000 1.149 14 G CA 0.352 45.013 45.100 -0.732 0.000 0.785 14 G HN 0.737 nan 8.290 nan 0.000 0.536 15 G N -1.163 106.997 108.800 -1.066 0.000 2.340 15 G HA2 0.149 4.113 3.960 0.006 0.000 0.282 15 G HA3 0.149 4.113 3.960 0.006 0.000 0.282 15 G C -1.262 173.555 174.900 -0.140 0.000 1.312 15 G CA -0.935 43.648 45.100 -0.863 0.000 0.942 15 G HN 0.249 nan 8.290 nan 0.000 0.495 16 Q N -0.441 119.434 119.800 0.124 0.000 2.259 16 Q HA 0.674 5.018 4.340 0.006 0.000 0.249 16 Q C -0.447 175.814 176.000 0.435 0.000 0.914 16 Q CA -0.138 55.809 55.803 0.239 0.000 0.904 16 Q CB 1.414 30.246 28.738 0.156 0.000 1.213 16 Q HN 0.434 nan 8.270 nan 0.000 0.428 17 L N 1.936 123.345 121.223 0.311 0.000 2.381 17 L HA 0.608 4.952 4.340 0.006 0.000 0.268 17 L C -0.493 176.571 176.870 0.323 0.000 0.997 17 L CA -0.755 54.291 54.840 0.344 0.000 0.818 17 L CB 2.131 44.429 42.059 0.399 0.000 1.310 17 L HN 0.443 nan 8.230 nan 0.000 0.416 18 R N 0.867 121.536 120.500 0.281 0.000 2.393 18 R HA 0.651 4.995 4.340 0.006 0.000 0.315 18 R C -0.273 176.116 176.300 0.150 0.000 0.952 18 R CA -0.300 55.931 56.100 0.218 0.000 0.842 18 R CB 1.674 32.038 30.300 0.108 0.000 1.163 18 R HN 0.829 nan 8.270 nan 0.000 0.450 19 G N 3.268 112.064 108.800 -0.007 0.000 2.642 19 G HA2 0.492 4.455 3.960 0.006 0.000 0.291 19 G HA3 0.492 4.455 3.960 0.006 0.000 0.291 19 G C -1.059 173.611 174.900 -0.383 0.000 1.345 19 G CA -0.699 44.065 45.100 -0.561 0.000 1.043 19 G HN 0.572 nan 8.290 nan 0.000 0.528 20 I N -0.706 119.602 120.570 -0.438 0.000 2.608 20 I HA 0.514 4.687 4.170 0.006 0.000 0.295 20 I C -0.134 175.860 176.117 -0.204 0.000 1.049 20 I CA -1.153 59.996 61.300 -0.251 0.000 1.063 20 I CB 2.090 39.956 38.000 -0.222 0.000 1.248 20 I HN 0.423 nan 8.210 nan 0.000 0.424 21 R N 7.692 128.111 120.500 -0.135 0.000 2.234 21 R HA 0.514 4.858 4.340 0.006 0.000 0.324 21 R C -1.738 174.459 176.300 -0.172 0.000 1.054 21 R CA -0.331 55.668 56.100 -0.168 0.000 0.912 21 R CB 0.566 30.723 30.300 -0.238 0.000 1.030 21 R HN 0.635 nan 8.270 nan 0.000 0.455 22 L N 3.587 124.721 121.223 -0.148 0.000 2.334 22 L HA 0.410 4.754 4.340 0.006 0.000 0.273 22 L C -0.311 176.483 176.870 -0.126 0.000 1.013 22 L CA -1.206 53.568 54.840 -0.111 0.000 0.816 22 L CB 1.824 43.856 42.059 -0.045 0.000 1.278 22 L HN 0.437 nan 8.230 nan 0.000 0.431 23 K N 2.377 122.710 120.400 -0.112 0.000 2.276 23 K HA 0.594 4.918 4.320 0.006 0.000 0.285 23 K C -0.681 175.852 176.600 -0.111 0.000 1.062 23 K CA -0.019 56.206 56.287 -0.103 0.000 0.918 23 K CB 1.114 33.567 32.500 -0.079 0.000 1.055 23 K HN 0.620 nan 8.250 nan 0.000 0.477 24 A N 5.816 128.571 122.820 -0.108 0.000 2.322 24 A HA 0.584 4.907 4.320 0.006 0.000 0.327 24 A C -1.941 175.634 177.584 -0.014 0.000 1.134 24 A CA -1.749 50.219 52.037 -0.115 0.000 0.831 24 A CB 0.778 19.680 19.000 -0.163 0.000 1.288 24 A HN 0.650 nan 8.150 nan 0.000 0.472 25 P HA -0.138 nan 4.420 nan 0.000 0.215 25 P C 1.368 178.690 177.300 0.037 0.000 1.157 25 P CA 2.220 65.359 63.100 0.066 0.000 0.874 25 P CB 0.157 31.923 31.700 0.110 0.000 0.790 26 G N -2.221 106.603 108.800 0.040 0.000 2.920 26 G HA2 0.410 4.373 3.960 0.006 0.000 0.208 26 G HA3 0.410 4.373 3.960 0.006 0.000 0.208 26 G C 0.579 175.489 174.900 0.017 0.000 1.159 26 G CA 0.512 45.629 45.100 0.028 0.000 0.784 26 G HN 0.639 nan 8.290 nan 0.000 0.535 27 G N -0.609 108.192 108.800 0.001 0.000 2.357 27 G HA2 0.302 4.266 3.960 0.006 0.000 0.289 27 G HA3 0.302 4.266 3.960 0.006 0.000 0.289 27 G C -3.391 171.481 174.900 -0.046 0.000 1.302 27 G CA -0.608 44.483 45.100 -0.015 0.000 0.936 27 G HN 0.085 nan 8.290 nan 0.000 0.513 28 P HA 0.577 nan 4.420 nan 0.000 0.279 28 P C -0.117 177.150 177.300 -0.055 0.000 1.252 28 P CA -0.396 62.598 63.100 -0.177 0.000 0.811 28 P CB 1.688 33.113 31.700 -0.458 0.000 1.035 29 V N -1.743 118.150 119.914 -0.035 0.000 2.962 29 V HA 0.664 4.788 4.120 0.006 0.000 0.313 29 V C -0.406 175.790 176.094 0.169 0.000 1.099 29 V CA -0.911 61.468 62.300 0.132 0.000 0.971 29 V CB 1.746 33.652 31.823 0.139 0.000 1.028 29 V HN 0.438 nan 8.190 nan 0.000 0.430 30 S N 2.005 117.875 115.700 0.282 0.000 2.499 30 S HA 0.845 5.318 4.470 0.006 0.000 0.279 30 S C 0.084 174.710 174.600 0.042 0.000 1.219 30 S CA 0.025 58.331 58.200 0.177 0.000 1.062 30 S CB 1.185 64.573 63.200 0.312 0.000 0.978 30 S HN 1.591 nan 8.310 nan 0.000 0.489 31 A N 2.566 125.221 122.820 -0.275 0.000 2.386 31 A HA 0.827 5.151 4.320 0.006 0.000 0.311 31 A C -1.241 175.925 177.584 -0.697 0.000 1.068 31 A CA -0.678 51.082 52.037 -0.461 0.000 0.743 31 A CB 0.606 19.294 19.000 -0.520 0.000 1.258 31 A HN 0.679 nan 8.150 nan 0.000 0.429 32 F N 2.304 122.062 119.950 -0.320 0.000 2.430 32 F HA 0.469 4.999 4.527 0.006 0.000 0.362 32 F C -0.269 175.335 175.800 -0.327 0.000 1.103 32 F CA -0.257 57.632 58.000 -0.186 0.000 1.045 32 F CB 1.371 40.396 39.000 0.041 0.000 1.276 32 F HN 0.348 nan 8.300 nan 0.000 0.444 33 L N 2.131 123.193 121.223 -0.268 0.000 2.325 33 L HA 0.716 5.060 4.340 0.006 0.000 0.278 33 L C 0.912 177.675 176.870 -0.179 0.000 1.023 33 L CA -1.068 53.550 54.840 -0.369 0.000 0.811 33 L CB 1.627 43.237 42.059 -0.748 0.000 1.249 33 L HN 0.808 nan 8.230 nan 0.000 0.431 34 G N 3.107 111.864 108.800 -0.071 0.000 2.314 34 G HA2 -0.261 3.702 3.960 0.006 0.000 0.292 34 G HA3 -0.261 3.702 3.960 0.006 0.000 0.292 34 G C -0.217 174.725 174.900 0.071 0.000 1.059 34 G CA -0.280 44.807 45.100 -0.021 0.000 0.982 34 G HN 0.472 nan 8.290 nan 0.000 0.505 35 I N 2.168 122.791 120.570 0.088 0.000 2.396 35 I HA 0.233 4.407 4.170 0.006 0.000 0.289 35 I C -1.329 174.866 176.117 0.131 0.000 1.056 35 I CA -2.139 59.204 61.300 0.072 0.000 1.365 35 I CB 1.068 39.064 38.000 -0.006 0.000 1.407 35 I HN 0.025 nan 8.210 nan 0.000 0.509 36 P HA 0.040 nan 4.420 nan 0.000 0.276 36 P C -0.264 177.026 177.300 -0.018 0.000 1.230 36 P CA 0.085 63.084 63.100 -0.168 0.000 0.776 36 P CB 0.542 32.130 31.700 -0.186 0.000 0.888 37 F N 0.478 120.304 119.950 -0.208 0.000 2.767 37 F HA 0.704 5.235 4.527 0.007 0.000 0.323 37 F C 0.067 175.869 175.800 0.003 0.000 1.091 37 F CA -0.598 57.350 58.000 -0.087 0.000 1.192 37 F CB 0.182 39.025 39.000 -0.262 0.000 1.056 37 F HN 0.315 nan 8.300 nan 0.000 0.571 38 A N 0.334 122.830 122.820 -0.541 0.000 2.527 38 A HA 0.619 4.942 4.320 0.006 0.000 0.293 38 A C -0.748 176.670 177.584 -0.276 0.000 1.117 38 A CA -0.729 51.104 52.037 -0.340 0.000 0.723 38 A CB 1.014 19.739 19.000 -0.458 0.000 1.313 38 A HN 0.072 nan 8.150 nan 0.000 0.411 39 E N 1.322 121.436 120.200 -0.142 0.000 2.414 39 E HA 0.217 4.571 4.350 0.006 0.000 0.263 39 E C -2.290 174.211 176.600 -0.165 0.000 1.000 39 E CA -1.368 54.965 56.400 -0.112 0.000 0.914 39 E CB 0.017 29.688 29.700 -0.048 0.000 0.948 39 E HN 0.228 nan 8.360 nan 0.000 0.444 40 P HA -0.014 nan 4.420 nan 0.000 0.260 40 P C -2.192 175.041 177.300 -0.112 0.000 1.185 40 P CA -0.707 62.306 63.100 -0.145 0.000 0.763 40 P CB -0.119 31.532 31.700 -0.080 0.000 0.776 41 P HA -0.007 nan 4.420 nan 0.000 0.228 41 P C -0.090 177.151 177.300 -0.097 0.000 1.748 41 P CA 0.110 63.151 63.100 -0.099 0.000 0.909 41 P CB -0.221 31.421 31.700 -0.097 0.000 1.882 42 V N -3.210 116.654 119.914 -0.084 0.000 3.096 42 V HA 0.852 4.976 4.120 0.006 0.000 0.319 42 V C 1.176 177.227 176.094 -0.072 0.000 1.082 42 V CA 0.161 62.413 62.300 -0.081 0.000 1.022 42 V CB 0.520 32.306 31.823 -0.062 0.000 1.103 42 V HN 0.508 nan 8.190 nan 0.000 0.455 43 G N 2.415 111.173 108.800 -0.070 0.000 2.634 43 G HA2 -0.370 3.594 3.960 0.006 0.000 0.318 43 G HA3 -0.370 3.594 3.960 0.006 0.000 0.318 43 G C 1.235 176.103 174.900 -0.053 0.000 1.207 43 G CA 1.844 46.913 45.100 -0.052 0.000 0.987 43 G HN 2.319 nan 8.290 nan 0.000 0.547 44 S N 0.718 116.399 115.700 -0.030 0.000 2.547 44 S HA 0.047 4.521 4.470 0.006 0.000 0.235 44 S C 1.858 176.445 174.600 -0.022 0.000 0.980 44 S CA 1.556 59.746 58.200 -0.016 0.000 0.941 44 S CB -0.044 63.155 63.200 -0.002 0.000 0.763 44 S HN 0.660 nan 8.310 nan 0.000 0.532 45 R N 0.920 121.392 120.500 -0.047 0.000 2.300 45 R HA 0.227 4.571 4.340 0.006 0.000 0.199 45 R C 0.851 177.095 176.300 -0.094 0.000 0.920 45 R CA -0.166 55.904 56.100 -0.050 0.000 1.046 45 R CB -0.190 30.080 30.300 -0.050 0.000 0.984 45 R HN 0.448 nan 8.270 nan 0.000 0.493 46 R N 0.946 121.338 120.500 -0.181 0.000 2.538 46 R HA -0.115 4.228 4.340 0.006 0.000 0.282 46 R C -0.262 175.774 176.300 -0.441 0.000 1.009 46 R CA 0.569 56.414 56.100 -0.426 0.000 1.063 46 R CB 0.070 29.991 30.300 -0.632 0.000 0.945 46 R HN 0.081 nan 8.270 nan 0.000 0.414 47 F N -0.631 119.311 119.950 -0.014 0.000 2.619 47 F HA -0.290 4.241 4.527 0.006 0.000 0.425 47 F C 0.121 175.897 175.800 -0.040 0.000 0.575 47 F CA 0.494 58.464 58.000 -0.051 0.000 1.289 47 F CB -1.424 37.533 39.000 -0.071 0.000 1.859 47 F HN 0.449 nan 8.300 nan 0.000 0.280 48 M N 1.674 121.324 119.600 0.084 0.000 2.274 48 M HA 0.371 4.854 4.480 0.006 0.000 0.344 48 M C -1.798 174.519 176.300 0.029 0.000 1.161 48 M CA -1.604 53.729 55.300 0.055 0.000 1.126 48 M CB 0.234 32.853 32.600 0.031 0.000 1.522 48 M HN -0.326 nan 8.290 nan 0.000 0.461 49 P HA 0.051 nan 4.420 nan 0.000 0.267 49 P C -2.412 174.904 177.300 0.028 0.000 1.195 49 P CA -0.407 62.716 63.100 0.038 0.000 0.773 49 P CB -0.532 31.201 31.700 0.054 0.000 0.837 50 P HA 0.188 nan 4.420 nan 0.000 0.279 50 P C -0.735 176.586 177.300 0.035 0.000 1.239 50 P CA -0.006 63.105 63.100 0.018 0.000 0.789 50 P CB 0.956 32.679 31.700 0.038 0.000 0.933 51 E N 3.649 123.856 120.200 0.012 0.000 2.166 51 E HA 0.348 4.702 4.350 0.006 0.000 0.275 51 E C -2.248 174.372 176.600 0.033 0.000 0.941 51 E CA -2.338 54.080 56.400 0.030 0.000 0.784 51 E CB 0.566 30.277 29.700 0.018 0.000 1.115 51 E HN 0.344 nan 8.360 nan 0.000 0.399 52 P HA -0.125 nan 4.420 nan 0.000 0.266 52 P C -0.544 176.811 177.300 0.091 0.000 1.186 52 P CA 0.066 63.234 63.100 0.114 0.000 0.767 52 P CB 0.415 32.193 31.700 0.130 0.000 0.820 53 K N 3.476 123.950 120.400 0.123 0.000 2.451 53 K HA 0.031 4.354 4.320 0.006 0.000 0.280 53 K C 0.022 176.725 176.600 0.172 0.000 1.020 53 K CA 0.480 56.848 56.287 0.134 0.000 1.008 53 K CB 0.159 32.781 32.500 0.202 0.000 0.917 53 K HN 0.262 nan 8.250 nan 0.000 0.478 54 R N 5.064 125.652 120.500 0.147 0.000 2.390 54 R HA 0.215 4.558 4.340 0.006 0.000 0.291 54 R C -2.010 174.390 176.300 0.167 0.000 1.070 54 R CA -1.788 54.386 56.100 0.122 0.000 1.014 54 R CB 0.396 30.750 30.300 0.089 0.000 1.007 54 R HN 0.588 nan 8.270 nan 0.000 0.466 55 P HA -0.108 nan 4.420 nan 0.000 0.266 55 P C -1.133 176.192 177.300 0.043 0.000 1.193 55 P CA 0.211 63.245 63.100 -0.109 0.000 0.770 55 P CB 0.299 31.896 31.700 -0.171 0.000 0.836 56 W N 1.158 122.491 121.300 0.055 0.000 2.671 56 W HA 0.700 5.364 4.660 0.006 0.000 0.360 56 W C -0.607 175.937 176.519 0.042 0.000 1.128 56 W CA -0.919 56.456 57.345 0.050 0.000 1.184 56 W CB 0.056 29.553 29.460 0.062 0.000 1.415 56 W HN 0.369 nan 8.180 nan 0.000 0.604 57 S N 1.023 116.884 115.700 0.269 0.000 2.638 57 S HA 0.868 5.342 4.470 0.006 0.000 0.298 57 S C 0.322 175.077 174.600 0.260 0.000 1.111 57 S CA -0.089 58.206 58.200 0.159 0.000 1.027 57 S CB 0.992 64.250 63.200 0.097 0.000 1.064 57 S HN 2.125 nan 8.310 nan 0.000 0.525 58 G N -0.023 108.884 108.800 0.177 0.000 2.693 58 G HA2 -0.114 3.849 3.960 0.006 0.000 0.226 58 G HA3 -0.114 3.849 3.960 0.006 0.000 0.226 58 G C -0.792 174.265 174.900 0.262 0.000 1.354 58 G CA -0.423 44.784 45.100 0.178 0.000 0.873 58 G HN 1.647 nan 8.290 nan 0.000 0.562 59 V N 0.833 120.867 119.914 0.199 0.000 2.350 59 V HA 0.515 4.638 4.120 0.006 0.000 0.276 59 V C 0.960 177.154 176.094 0.167 0.000 1.028 59 V CA -0.293 62.136 62.300 0.214 0.000 0.860 59 V CB 1.156 33.063 31.823 0.140 0.000 0.990 59 V HN 0.819 nan 8.190 nan 0.000 0.453 60 L N 4.150 125.483 121.223 0.184 0.000 2.462 60 L HA 0.253 4.597 4.340 0.006 0.000 0.272 60 L C 0.448 177.320 176.870 0.003 0.000 1.166 60 L CA 0.088 54.891 54.840 -0.061 0.000 0.880 60 L CB 0.670 42.484 42.059 -0.408 0.000 1.142 60 L HN 0.773 nan 8.230 nan 0.000 0.473 61 D N 4.288 124.664 120.400 -0.040 0.000 2.339 61 D HA 0.328 4.971 4.640 0.006 0.000 0.256 61 D C -0.033 176.233 176.300 -0.057 0.000 1.214 61 D CA 0.185 54.166 54.000 -0.032 0.000 0.877 61 D CB 1.041 41.811 40.800 -0.049 0.000 1.111 61 D HN 0.610 nan 8.370 nan 0.000 0.478 62 A N 3.306 126.117 122.820 -0.016 0.000 3.154 62 A HA 0.248 4.572 4.320 0.006 0.000 0.310 62 A C 0.953 178.458 177.584 -0.132 0.000 1.093 62 A CA -0.337 51.684 52.037 -0.027 0.000 1.006 62 A CB -0.159 18.934 19.000 0.155 0.000 1.084 62 A HN 0.603 nan 8.150 nan 0.000 0.549 63 T N -3.300 111.153 114.554 -0.169 0.000 3.010 63 T HA 0.262 4.615 4.350 0.006 0.000 0.257 63 T C 0.672 175.211 174.700 -0.268 0.000 1.020 63 T CA 0.771 62.739 62.100 -0.221 0.000 0.938 63 T CB -0.177 68.596 68.868 -0.159 0.000 1.049 63 T HN 0.683 nan 8.240 nan 0.000 0.522 64 T N -0.509 113.887 114.554 -0.265 0.000 2.903 64 T HA 0.707 5.060 4.350 0.006 0.000 0.299 64 T C -0.743 173.783 174.700 -0.291 0.000 1.093 64 T CA -0.877 61.057 62.100 -0.277 0.000 1.002 64 T CB 1.074 69.850 68.868 -0.153 0.000 1.127 64 T HN -0.002 nan 8.240 nan 0.000 0.488 65 F N 1.888 121.770 119.950 -0.114 0.000 2.553 65 F HA 0.336 4.867 4.527 0.006 0.000 0.356 65 F C 1.426 177.125 175.800 -0.169 0.000 1.142 65 F CA -0.067 57.865 58.000 -0.113 0.000 1.322 65 F CB 0.471 39.433 39.000 -0.064 0.000 1.126 65 F HN 0.471 nan 8.300 nan 0.000 0.599 66 Q N 1.110 120.914 119.800 0.008 0.000 2.293 66 Q HA 0.257 4.600 4.340 0.006 0.000 0.216 66 Q C -0.245 175.674 176.000 -0.134 0.000 1.003 66 Q CA -0.923 54.729 55.803 -0.253 0.000 0.995 66 Q CB 0.667 28.947 28.738 -0.763 0.000 1.172 66 Q HN 0.514 nan 8.270 nan 0.000 0.518 67 N N -0.191 118.397 118.700 -0.187 0.000 2.283 67 N HA -0.028 4.715 4.740 0.006 0.000 0.236 67 N C -0.476 175.019 175.510 -0.024 0.000 1.252 67 N CA 0.264 53.267 53.050 -0.079 0.000 0.856 67 N CB 0.266 38.728 38.487 -0.041 0.000 1.099 67 N HN 0.171 nan 8.380 nan 0.000 0.444 68 V N 1.255 121.131 119.914 -0.063 0.000 2.617 68 V HA 0.158 4.281 4.120 0.006 0.000 0.298 68 V C 0.589 176.636 176.094 -0.078 0.000 1.048 68 V CA -0.886 61.366 62.300 -0.081 0.000 0.964 68 V CB 1.444 33.183 31.823 -0.139 0.000 1.004 68 V HN 0.707 nan 8.190 nan 0.000 0.466 69 c N 3.407 121.973 118.600 -0.056 0.000 2.662 69 c HA 0.162 4.736 4.570 0.006 0.000 0.420 69 c C 0.431 174.465 174.090 -0.094 0.000 1.314 69 c CA -0.576 55.722 56.329 -0.051 0.000 1.963 69 c CB -0.916 41.592 42.510 -0.003 0.000 2.686 69 c HN 0.752 nan 8.230 nan 0.000 0.609 70 Y N 3.777 123.919 120.300 -0.265 0.000 2.721 70 Y HA 0.220 4.774 4.550 0.006 0.000 0.329 70 Y C 0.833 176.701 175.900 -0.052 0.000 1.211 70 Y CA 1.056 58.982 58.100 -0.289 0.000 1.512 70 Y CB 0.139 38.180 38.460 -0.699 0.000 1.249 70 Y HN 0.728 nan 8.280 nan 0.000 0.549 71 Q N 4.172 123.988 119.800 0.027 0.000 2.522 71 Q HA 0.215 4.559 4.340 0.006 0.000 0.285 71 Q C -1.769 174.408 176.000 0.295 0.000 0.982 71 Q CA -1.231 54.731 55.803 0.264 0.000 0.805 71 Q CB 1.247 30.097 28.738 0.187 0.000 1.457 71 Q HN 0.655 nan 8.270 nan 0.000 0.394 72 Y N 1.236 121.757 120.300 0.367 0.000 2.712 72 Y HA 0.267 4.821 4.550 0.006 0.000 0.333 72 Y C -0.933 175.139 175.900 0.285 0.000 1.225 72 Y CA 0.505 58.828 58.100 0.372 0.000 1.499 72 Y CB 0.754 39.551 38.460 0.562 0.000 1.288 72 Y HN 0.436 nan 8.280 nan 0.000 0.575 73 V N 6.898 126.564 119.914 -0.413 0.000 2.417 73 V HA 0.117 4.240 4.120 0.006 0.000 0.291 73 V C -0.239 175.599 176.094 -0.426 0.000 1.024 73 V CA -1.199 60.942 62.300 -0.266 0.000 0.861 73 V CB 1.542 33.259 31.823 -0.177 0.000 0.985 73 V HN 0.770 nan 8.190 nan 0.000 0.436 74 D N 3.431 123.815 120.400 -0.026 0.000 2.383 74 D HA 0.110 4.754 4.640 0.006 0.000 0.252 74 D C 0.731 177.075 176.300 0.074 0.000 1.166 74 D CA 0.245 54.331 54.000 0.144 0.000 0.879 74 D CB 1.770 42.777 40.800 0.346 0.000 1.164 74 D HN 0.759 nan 8.370 nan 0.000 0.462 75 T N 1.342 115.928 114.554 0.054 0.000 3.058 75 T HA -0.010 4.344 4.350 0.006 0.000 0.278 75 T C 1.747 176.446 174.700 -0.001 0.000 0.974 75 T CA -0.413 61.702 62.100 0.024 0.000 0.893 75 T CB 0.142 68.996 68.868 -0.024 0.000 1.138 75 T HN 0.253 nan 8.240 nan 0.000 0.529 76 L N 1.131 122.342 121.223 -0.021 0.000 2.051 76 L HA 0.007 4.351 4.340 0.006 0.000 0.214 76 L C -0.152 176.433 176.870 -0.475 0.000 1.076 76 L CA 1.745 56.401 54.840 -0.307 0.000 0.758 76 L CB -0.609 41.151 42.059 -0.497 0.000 0.890 76 L HN 0.436 nan 8.230 nan 0.000 0.433 77 Y N -0.417 119.905 120.300 0.037 0.000 2.748 77 Y HA 0.428 4.982 4.550 0.006 0.000 0.359 77 Y C -2.206 173.730 175.900 0.060 0.000 1.030 77 Y CA -3.442 54.655 58.100 -0.004 0.000 1.169 77 Y CB -0.183 38.224 38.460 -0.089 0.000 1.127 77 Y HN 0.079 nan 8.280 nan 0.000 0.644 78 P HA 0.191 nan 4.420 nan 0.000 0.265 78 P C 1.009 178.366 177.300 0.095 0.000 1.222 78 P CA 1.181 64.338 63.100 0.095 0.000 0.767 78 P CB 0.773 32.499 31.700 0.043 0.000 0.801 79 G N 2.745 111.597 108.800 0.087 0.000 2.218 79 G HA2 -0.246 3.718 3.960 0.006 0.000 0.216 79 G HA3 -0.246 3.718 3.960 0.006 0.000 0.216 79 G C -0.195 174.752 174.900 0.077 0.000 0.994 79 G CA -0.584 44.549 45.100 0.055 0.000 0.637 79 G HN 0.513 nan 8.290 nan 0.000 0.505 80 F N 2.497 122.405 119.950 -0.071 0.000 2.424 80 F HA 0.645 5.175 4.527 0.006 0.000 0.356 80 F C 1.348 177.052 175.800 -0.160 0.000 1.110 80 F CA -0.526 57.383 58.000 -0.152 0.000 1.161 80 F CB 1.566 40.445 39.000 -0.202 0.000 1.115 80 F HN 0.165 nan 8.300 nan 0.000 0.507 81 E N 4.036 123.838 120.200 -0.664 0.000 2.118 81 E HA -0.078 4.275 4.350 0.006 0.000 0.195 81 E C 2.188 178.323 176.600 -0.775 0.000 0.992 81 E CA 1.824 57.863 56.400 -0.601 0.000 0.804 81 E CB -0.476 28.943 29.700 -0.469 0.000 0.741 81 E HN 0.913 nan 8.360 nan 0.000 0.458 82 G N -0.522 107.310 108.800 -1.613 0.000 2.469 82 G HA2 -0.351 3.613 3.960 0.006 0.000 0.220 82 G HA3 -0.351 3.613 3.960 0.006 0.000 0.220 82 G C 1.748 176.642 174.900 -0.010 0.000 1.136 82 G CA 1.805 46.226 45.100 -1.133 0.000 0.759 82 G HN 0.506 nan 8.290 nan 0.000 0.562 83 T N -2.110 112.439 114.554 -0.009 0.000 3.010 83 T HA 0.135 4.489 4.350 0.006 0.000 0.252 83 T C 1.960 176.802 174.700 0.236 0.000 1.047 83 T CA 0.958 63.336 62.100 0.462 0.000 1.140 83 T CB 0.047 69.265 68.868 0.583 0.000 0.885 83 T HN 0.124 nan 8.240 nan 0.000 0.464 84 E N 2.329 122.535 120.200 0.009 0.000 2.110 84 E HA -0.102 4.251 4.350 0.006 0.000 0.193 84 E C 2.296 178.808 176.600 -0.146 0.000 0.988 84 E CA 1.427 57.799 56.400 -0.046 0.000 0.804 84 E CB -0.554 29.090 29.700 -0.093 0.000 0.745 84 E HN 0.803 nan 8.360 nan 0.000 0.458 85 M N -1.987 117.428 119.600 -0.310 0.000 2.346 85 M HA -0.119 4.365 4.480 0.006 0.000 0.263 85 M C 1.364 177.295 176.300 -0.614 0.000 1.064 85 M CA 1.570 56.540 55.300 -0.550 0.000 1.083 85 M CB -0.667 31.466 32.600 -0.779 0.000 1.399 85 M HN 0.022 nan 8.290 nan 0.000 0.435 86 W N 1.165 122.410 121.300 -0.092 0.000 3.197 86 W HA 0.263 4.927 4.660 0.006 0.000 0.274 86 W C 0.313 176.771 176.519 -0.102 0.000 1.297 86 W CA -1.005 56.275 57.345 -0.108 0.000 1.662 86 W CB -0.129 29.315 29.460 -0.027 0.000 1.106 86 W HN 0.130 nan 8.180 nan 0.000 0.663 87 N N 1.345 120.083 118.700 0.062 0.000 2.513 87 N HA 0.181 4.925 4.740 0.006 0.000 0.274 87 N C -2.440 173.026 175.510 -0.072 0.000 1.189 87 N CA -1.732 51.327 53.050 0.015 0.000 0.975 87 N CB 0.051 38.543 38.487 0.008 0.000 1.157 87 N HN -0.356 nan 8.380 nan 0.000 0.465 88 P HA 0.028 nan 4.420 nan 0.000 0.262 88 P C 0.185 177.407 177.300 -0.130 0.000 1.182 88 P CA 0.179 63.200 63.100 -0.131 0.000 0.761 88 P CB 0.293 31.910 31.700 -0.139 0.000 0.795 89 N N 2.178 120.789 118.700 -0.148 0.000 2.238 89 N HA 0.100 4.844 4.740 0.006 0.000 0.235 89 N C 0.107 175.553 175.510 -0.106 0.000 1.209 89 N CA -0.092 52.878 53.050 -0.133 0.000 0.879 89 N CB 0.516 38.906 38.487 -0.162 0.000 1.136 89 N HN 0.153 nan 8.380 nan 0.000 0.517 90 R N 0.103 120.538 120.500 -0.108 0.000 2.831 90 R HA 0.276 4.619 4.340 0.006 0.000 0.266 90 R C -0.683 175.558 176.300 -0.098 0.000 1.051 90 R CA -0.660 55.390 56.100 -0.083 0.000 0.943 90 R CB 1.018 31.280 30.300 -0.063 0.000 1.228 90 R HN 0.265 nan 8.270 nan 0.000 0.467 91 E N 1.499 121.646 120.200 -0.087 0.000 2.452 91 E HA -0.003 4.350 4.350 0.006 0.000 0.261 91 E C -0.468 176.058 176.600 -0.123 0.000 0.987 91 E CA 0.027 56.370 56.400 -0.094 0.000 0.926 91 E CB 0.530 30.189 29.700 -0.068 0.000 0.934 91 E HN 0.264 nan 8.360 nan 0.000 0.452 92 L N 3.643 124.756 121.223 -0.182 0.000 2.360 92 L HA 0.206 4.550 4.340 0.006 0.000 0.276 92 L C 0.302 177.098 176.870 -0.123 0.000 1.121 92 L CA 0.055 54.714 54.840 -0.302 0.000 0.845 92 L CB 1.016 42.662 42.059 -0.688 0.000 1.143 92 L HN 0.427 nan 8.230 nan 0.000 0.452 93 S N 1.495 117.182 115.700 -0.023 0.000 2.543 93 S HA 0.200 4.674 4.470 0.006 0.000 0.274 93 S C 0.243 174.860 174.600 0.030 0.000 1.149 93 S CA -0.672 57.582 58.200 0.090 0.000 0.866 93 S CB 1.692 64.910 63.200 0.031 0.000 1.111 93 S HN 0.741 nan 8.310 nan 0.000 0.457 94 E N 0.896 121.071 120.200 -0.041 0.000 2.347 94 E HA -0.048 4.306 4.350 0.006 0.000 0.196 94 E C -0.371 176.180 176.600 -0.082 0.000 1.008 94 E CA 0.449 56.752 56.400 -0.161 0.000 0.852 94 E CB 0.137 29.702 29.700 -0.226 0.000 0.783 94 E HN 0.535 nan 8.360 nan 0.000 0.505 95 D N 0.119 120.506 120.400 -0.021 0.000 2.453 95 D HA -0.001 4.643 4.640 0.006 0.000 0.223 95 D C 0.089 176.482 176.300 0.155 0.000 1.183 95 D CA -0.268 53.750 54.000 0.029 0.000 0.933 95 D CB 0.076 40.910 40.800 0.057 0.000 1.038 95 D HN 0.134 nan 8.370 nan 0.000 0.513 96 c N 2.362 121.017 118.600 0.092 0.000 4.015 96 c HA 0.346 4.920 4.570 0.006 0.000 0.323 96 c C 0.784 174.948 174.090 0.123 0.000 1.724 96 c CA -0.611 55.843 56.329 0.208 0.000 1.828 96 c CB -1.205 41.356 42.510 0.086 0.000 3.083 96 c HN 0.438 nan 8.230 nan 0.000 0.640 97 L N 2.587 123.627 121.223 -0.305 0.000 2.451 97 L HA 0.316 4.660 4.340 0.006 0.000 0.272 97 L C -0.861 175.464 176.870 -0.909 0.000 1.258 97 L CA 0.735 55.208 54.840 -0.613 0.000 1.132 97 L CB -0.883 40.669 42.059 -0.844 0.000 1.361 97 L HN 0.407 nan 8.230 nan 0.000 0.438 98 Y N 1.930 122.253 120.300 0.039 0.000 2.576 98 Y HA 0.657 5.211 4.550 0.006 0.000 0.346 98 Y C -0.055 176.048 175.900 0.339 0.000 1.018 98 Y CA -1.248 56.941 58.100 0.149 0.000 1.050 98 Y CB 1.996 40.479 38.460 0.038 0.000 1.280 98 Y HN 0.197 nan 8.280 nan 0.000 0.474 99 L N -0.260 121.140 121.223 0.296 0.000 2.303 99 L HA 0.773 5.117 4.340 0.006 0.000 0.256 99 L C -1.389 175.460 176.870 -0.035 0.000 1.034 99 L CA -1.237 53.631 54.840 0.047 0.000 0.832 99 L CB 1.854 43.720 42.059 -0.322 0.000 1.403 99 L HN 0.509 nan 8.230 nan 0.000 0.419 100 N N 0.048 118.721 118.700 -0.046 0.000 2.225 100 N HA 0.699 5.443 4.740 0.006 0.000 0.298 100 N C -1.590 173.801 175.510 -0.198 0.000 1.076 100 N CA -0.408 52.543 53.050 -0.164 0.000 0.792 100 N CB 2.935 41.335 38.487 -0.145 0.000 1.498 100 N HN 0.496 nan 8.380 nan 0.000 0.474 101 V N 1.700 121.426 119.914 -0.313 0.000 2.531 101 V HA 0.457 4.581 4.120 0.006 0.000 0.301 101 V C -0.768 175.227 176.094 -0.164 0.000 1.034 101 V CA -0.752 61.442 62.300 -0.177 0.000 0.865 101 V CB 2.080 33.661 31.823 -0.403 0.000 0.995 101 V HN 0.554 nan 8.190 nan 0.000 0.424 102 W N 2.980 124.357 121.300 0.129 0.000 2.573 102 W HA 0.689 5.353 4.660 0.007 0.000 0.326 102 W C 0.175 176.789 176.519 0.158 0.000 1.049 102 W CA -0.453 56.977 57.345 0.142 0.000 1.220 102 W CB 2.407 31.935 29.460 0.113 0.000 1.373 102 W HN 0.632 nan 8.180 nan 0.000 0.507 103 T N 0.057 114.856 114.554 0.409 0.000 2.896 103 T HA 0.504 4.858 4.350 0.006 0.000 0.297 103 T C -2.806 172.066 174.700 0.286 0.000 1.108 103 T CA -2.436 59.860 62.100 0.326 0.000 1.004 103 T CB 2.283 71.364 68.868 0.354 0.000 1.159 103 T HN -0.091 nan 8.240 nan 0.000 0.499 104 P HA 0.157 nan 4.420 nan 0.000 0.269 104 P C -1.524 175.922 177.300 0.242 0.000 1.211 104 P CA -0.075 63.143 63.100 0.197 0.000 0.781 104 P CB 0.090 31.875 31.700 0.143 0.000 0.877 105 Y N 2.465 122.819 120.300 0.090 0.000 2.338 105 Y HA 0.421 4.974 4.550 0.006 0.000 0.333 105 Y C -2.156 173.778 175.900 0.058 0.000 0.968 105 Y CA -2.523 55.624 58.100 0.078 0.000 1.123 105 Y CB 1.224 39.719 38.460 0.058 0.000 1.165 105 Y HN 0.341 nan 8.280 nan 0.000 0.452 106 P HA 0.172 nan 4.420 nan 0.000 0.272 106 P C -0.905 176.351 177.300 -0.073 0.000 1.240 106 P CA -0.292 62.606 63.100 -0.336 0.000 0.791 106 P CB 0.984 32.538 31.700 -0.245 0.000 0.978 107 R N 1.256 121.728 120.500 -0.047 0.000 2.638 107 R HA 0.109 4.452 4.340 0.006 0.000 0.268 107 R C -1.608 174.719 176.300 0.046 0.000 1.006 107 R CA -0.917 55.221 56.100 0.063 0.000 1.088 107 R CB -0.787 29.565 30.300 0.087 0.000 0.950 107 R HN 0.480 nan 8.270 nan 0.000 0.419 108 P HA -0.084 nan 4.420 nan 0.000 0.268 108 P C -0.132 177.188 177.300 0.033 0.000 1.208 108 P CA 0.211 63.344 63.100 0.055 0.000 0.777 108 P CB 0.688 32.430 31.700 0.070 0.000 0.875 109 A N 2.820 125.653 122.820 0.023 0.000 1.872 109 A HA -0.015 4.309 4.320 0.006 0.000 0.214 109 A C 1.124 178.715 177.584 0.010 0.000 1.187 109 A CA 1.568 53.612 52.037 0.012 0.000 0.614 109 A CB -0.899 18.106 19.000 0.009 0.000 0.826 109 A HN 0.714 nan 8.150 nan 0.000 0.442 110 S N -0.843 114.866 115.700 0.015 0.000 2.568 110 S HA 0.618 5.091 4.470 0.006 0.000 0.302 110 S C -3.116 171.495 174.600 0.018 0.000 1.082 110 S CA -1.896 56.310 58.200 0.010 0.000 1.009 110 S CB 1.130 64.334 63.200 0.006 0.000 1.069 110 S HN 0.028 nan 8.310 nan 0.000 0.500 111 P HA 0.129 nan 4.420 nan 0.000 0.260 111 P C -0.664 176.650 177.300 0.024 0.000 1.172 111 P CA 0.445 63.557 63.100 0.020 0.000 0.760 111 P CB -0.023 31.680 31.700 0.006 0.000 0.773 112 T N 5.320 119.899 114.554 0.043 0.000 2.823 112 T HA 0.414 4.768 4.350 0.006 0.000 0.279 112 T C -2.490 172.241 174.700 0.051 0.000 0.998 112 T CA -2.066 60.062 62.100 0.046 0.000 0.994 112 T CB 1.030 69.938 68.868 0.068 0.000 0.960 112 T HN 0.114 nan 8.240 nan 0.000 0.448 113 P HA 0.109 nan 4.420 nan 0.000 0.264 113 P C -0.812 176.531 177.300 0.072 0.000 1.183 113 P CA -0.160 62.962 63.100 0.036 0.000 0.763 113 P CB 0.358 32.061 31.700 0.005 0.000 0.807 114 V N 5.381 125.355 119.914 0.100 0.000 2.435 114 V HA 0.303 4.427 4.120 0.006 0.000 0.290 114 V C 0.335 176.522 176.094 0.154 0.000 1.030 114 V CA -0.473 61.911 62.300 0.140 0.000 0.881 114 V CB 1.233 33.152 31.823 0.160 0.000 0.983 114 V HN 0.364 nan 8.190 nan 0.000 0.445 115 L N 5.921 127.253 121.223 0.181 0.000 2.296 115 L HA 0.581 4.925 4.340 0.006 0.000 0.286 115 L C -0.568 176.551 176.870 0.414 0.000 1.023 115 L CA -0.277 54.703 54.840 0.234 0.000 0.812 115 L CB 1.536 43.641 42.059 0.076 0.000 1.223 115 L HN 0.494 nan 8.230 nan 0.000 0.421 116 I N 3.196 124.035 120.570 0.449 0.000 2.330 116 I HA 0.194 4.368 4.170 0.006 0.000 0.289 116 I C -0.570 175.805 176.117 0.430 0.000 1.001 116 I CA -0.418 61.111 61.300 0.383 0.000 1.193 116 I CB 1.257 39.362 38.000 0.174 0.000 1.345 116 I HN 0.637 nan 8.210 nan 0.000 0.461 117 W N 8.641 130.018 121.300 0.129 0.000 2.351 117 W HA 0.543 5.206 4.660 0.005 0.000 0.311 117 W C -1.446 174.957 176.519 -0.193 0.000 1.168 117 W CA -0.603 56.591 57.345 -0.251 0.000 1.200 117 W CB 1.210 30.538 29.460 -0.220 0.000 1.221 117 W HN 0.362 nan 8.180 nan 0.000 0.519 118 I N 9.297 129.222 120.570 -1.074 0.000 2.437 118 I HA 0.063 4.236 4.170 0.006 0.000 0.279 118 I C -0.257 175.061 176.117 -1.333 0.000 1.028 118 I CA -1.119 59.610 61.300 -0.952 0.000 1.142 118 I CB 0.482 38.102 38.000 -0.632 0.000 1.266 118 I HN 0.296 nan 8.210 nan 0.000 0.461 119 Y N 4.369 124.151 120.300 -0.864 0.000 2.550 119 Y HA 0.600 5.154 4.550 0.006 0.000 0.343 119 Y C 0.801 176.519 175.900 -0.304 0.000 1.245 119 Y CA -0.655 57.092 58.100 -0.589 0.000 1.462 119 Y CB -0.067 38.255 38.460 -0.229 0.000 1.340 119 Y HN 0.520 nan 8.280 nan 0.000 0.604 120 G N -0.672 108.128 108.800 -0.001 0.000 2.583 120 G HA2 0.498 4.461 3.960 0.006 0.000 0.280 120 G HA3 0.498 4.461 3.960 0.006 0.000 0.280 120 G C 0.270 175.106 174.900 -0.106 0.000 1.376 120 G CA -0.936 44.090 45.100 -0.122 0.000 1.043 120 G HN 1.736 nan 8.290 nan 0.000 0.538 121 G N -2.863 105.716 108.800 -0.368 0.000 2.192 121 G HA2 0.412 4.376 3.960 0.006 0.000 0.152 121 G HA3 0.412 4.376 3.960 0.006 0.000 0.152 121 G C 1.034 175.435 174.900 -0.832 0.000 1.057 121 G CA 0.718 45.493 45.100 -0.540 0.000 0.748 121 G HN 2.355 nan 8.290 nan 0.000 0.488 122 G N -0.624 107.649 108.800 -0.877 0.000 2.155 122 G HA2 -0.132 3.832 3.960 0.006 0.000 0.257 122 G HA3 -0.132 3.832 3.960 0.006 0.000 0.257 122 G C 0.915 175.476 174.900 -0.565 0.000 0.983 122 G CA 0.851 45.156 45.100 -1.326 0.000 0.676 122 G HN 1.817 nan 8.290 nan 0.000 0.528 123 F N -3.323 116.491 119.950 -0.228 0.000 2.794 123 F HA -0.296 4.235 4.527 0.006 0.000 0.335 123 F C 1.379 177.291 175.800 0.187 0.000 0.653 123 F CA 2.084 60.086 58.000 0.003 0.000 1.266 123 F CB -2.102 36.745 39.000 -0.256 0.000 1.666 123 F HN 0.943 nan 8.300 nan 0.000 0.314 124 Y N -0.981 119.437 120.300 0.196 0.000 2.500 124 Y HA 0.672 5.225 4.550 0.006 0.000 0.246 124 Y C 0.558 176.603 175.900 0.241 0.000 1.146 124 Y CA 0.229 58.484 58.100 0.259 0.000 1.230 124 Y CB 0.028 38.633 38.460 0.241 0.000 1.214 124 Y HN 0.082 nan 8.280 nan 0.000 0.526 125 S N -0.915 114.576 115.700 -0.347 0.000 2.672 125 S HA 0.895 5.369 4.470 0.006 0.000 0.271 125 S C -0.156 174.292 174.600 -0.252 0.000 1.171 125 S CA -0.532 57.510 58.200 -0.263 0.000 0.817 125 S CB 1.519 64.489 63.200 -0.382 0.000 1.150 125 S HN 1.328 nan 8.310 nan 0.000 0.478 126 G N -0.726 107.884 108.800 -0.317 0.000 2.440 126 G HA2 0.565 4.528 3.960 0.006 0.000 0.684 126 G HA3 0.565 4.528 3.960 0.006 0.000 0.684 126 G C -0.718 173.541 174.900 -1.069 0.000 1.309 126 G CA -0.244 44.469 45.100 -0.645 0.000 0.931 126 G HN 2.327 nan 8.290 nan 0.000 0.612 127 A N -1.483 120.446 122.820 -1.486 0.000 2.585 127 A HA 0.943 5.267 4.320 0.006 0.000 0.299 127 A C 0.388 177.740 177.584 -0.387 0.000 1.047 127 A CA 0.772 52.312 52.037 -0.827 0.000 0.723 127 A CB 0.652 19.427 19.000 -0.376 0.000 1.275 127 A HN 2.600 nan 8.150 nan 0.000 0.408 128 A N 0.570 123.414 122.820 0.040 0.000 2.251 128 A HA 0.335 4.659 4.320 0.006 0.000 0.209 128 A C 1.637 179.257 177.584 0.061 0.000 1.187 128 A CA 1.588 53.814 52.037 0.316 0.000 0.823 128 A CB -0.516 18.749 19.000 0.442 0.000 0.846 128 A HN 1.880 nan 8.150 nan 0.000 0.486 129 S N -0.403 115.112 115.700 -0.309 0.000 2.575 129 S HA 0.302 4.776 4.470 0.006 0.000 0.215 129 S C 0.514 174.674 174.600 -0.733 0.000 0.966 129 S CA -0.438 57.117 58.200 -1.075 0.000 0.911 129 S CB -0.603 61.989 63.200 -1.014 0.000 0.780 129 S HN 0.386 nan 8.310 nan 0.000 0.514 130 L N 2.183 123.174 121.223 -0.386 0.000 2.461 130 L HA 0.190 4.534 4.340 0.006 0.000 0.272 130 L C 1.176 177.740 176.870 -0.509 0.000 1.197 130 L CA -0.529 54.038 54.840 -0.455 0.000 0.836 130 L CB 0.181 41.908 42.059 -0.553 0.000 1.105 130 L HN 0.037 nan 8.230 nan 0.000 0.477 131 D N 1.142 121.266 120.400 -0.460 0.000 2.149 131 D HA -0.142 4.502 4.640 0.006 0.000 0.198 131 D C 2.006 178.025 176.300 -0.468 0.000 0.990 131 D CA 1.357 55.141 54.000 -0.361 0.000 0.839 131 D CB -0.038 40.591 40.800 -0.284 0.000 0.948 131 D HN 0.536 nan 8.370 nan 0.000 0.460 132 V N -1.313 118.168 119.914 -0.721 0.000 3.241 132 V HA -0.156 3.968 4.120 0.006 0.000 0.269 132 V C 1.122 176.584 176.094 -1.052 0.000 1.151 132 V CA 1.080 62.904 62.300 -0.794 0.000 1.158 132 V CB -1.160 30.134 31.823 -0.880 0.000 0.764 132 V HN 0.079 nan 8.190 nan 0.000 0.508 133 Y N -0.405 119.347 120.300 -0.913 0.000 2.467 133 Y HA 0.423 4.976 4.550 0.006 0.000 0.250 133 Y C 1.011 176.341 175.900 -0.949 0.000 1.155 133 Y CA -1.765 55.460 58.100 -1.457 0.000 1.249 133 Y CB -0.511 37.463 38.460 -0.809 0.000 1.146 133 Y HN 0.228 nan 8.280 nan 0.000 0.524 134 D N 1.233 121.363 120.400 -0.450 0.000 2.554 134 D HA -0.040 4.603 4.640 0.006 0.000 0.251 134 D C 1.393 177.342 176.300 -0.584 0.000 1.213 134 D CA 0.761 54.535 54.000 -0.376 0.000 0.900 134 D CB 1.056 41.769 40.800 -0.146 0.000 1.135 134 D HN 0.486 nan 8.370 nan 0.000 0.522 135 G N 3.965 111.791 108.800 -1.624 0.000 2.920 135 G HA2 -0.159 3.805 3.960 0.006 0.000 0.208 135 G HA3 -0.159 3.805 3.960 0.006 0.000 0.208 135 G C 1.528 175.814 174.900 -1.024 0.000 1.159 135 G CA 0.300 44.659 45.100 -1.235 0.000 0.784 135 G HN 0.625 nan 8.290 nan 0.000 0.535 136 R N -0.608 119.219 120.500 -1.121 0.000 2.105 136 R HA -0.036 4.308 4.340 0.006 0.000 0.239 136 R C 1.653 177.665 176.300 -0.481 0.000 1.135 136 R CA 1.397 57.099 56.100 -0.663 0.000 0.967 136 R CB -0.643 29.296 30.300 -0.603 0.000 0.861 136 R HN 0.323 nan 8.270 nan 0.000 0.442 137 F N 1.238 121.084 119.950 -0.174 0.000 2.187 137 F HA 0.087 4.618 4.527 0.007 0.000 0.295 137 F C 2.250 177.988 175.800 -0.104 0.000 1.091 137 F CA 0.634 58.563 58.000 -0.119 0.000 1.308 137 F CB -0.517 38.404 39.000 -0.131 0.000 1.030 137 F HN -0.132 nan 8.300 nan 0.000 0.487 138 L N -0.018 121.237 121.223 0.052 0.000 2.046 138 L HA -0.217 4.127 4.340 0.006 0.000 0.208 138 L C 2.718 179.594 176.870 0.011 0.000 1.077 138 L CA 1.220 56.052 54.840 -0.015 0.000 0.747 138 L CB -0.910 41.095 42.059 -0.089 0.000 0.896 138 L HN 0.186 nan 8.230 nan 0.000 0.432 139 A N -1.058 121.770 122.820 0.015 0.000 1.877 139 A HA -0.243 4.081 4.320 0.006 0.000 0.216 139 A C 2.290 179.916 177.584 0.069 0.000 1.186 139 A CA 1.623 53.706 52.037 0.076 0.000 0.620 139 A CB -0.474 18.610 19.000 0.141 0.000 0.822 139 A HN 0.391 nan 8.150 nan 0.000 0.443 140 Q N -0.324 119.499 119.800 0.039 0.000 2.096 140 Q HA -0.027 4.317 4.340 0.006 0.000 0.197 140 Q C 2.093 178.122 176.000 0.048 0.000 0.964 140 Q CA 1.736 57.566 55.803 0.046 0.000 0.838 140 Q CB -0.100 28.647 28.738 0.016 0.000 0.906 140 Q HN 0.411 nan 8.270 nan 0.000 0.444 141 V N 0.939 120.881 119.914 0.046 0.000 2.500 141 V HA -0.055 4.069 4.120 0.006 0.000 0.243 141 V C 1.609 177.717 176.094 0.023 0.000 1.039 141 V CA 1.242 63.563 62.300 0.036 0.000 1.053 141 V CB 0.019 31.863 31.823 0.034 0.000 0.695 141 V HN 0.182 nan 8.190 nan 0.000 0.463 142 E N -0.124 120.088 120.200 0.020 0.000 2.481 142 E HA 0.203 4.556 4.350 0.006 0.000 0.198 142 E C 1.696 178.313 176.600 0.028 0.000 1.027 142 E CA 0.699 57.107 56.400 0.014 0.000 0.900 142 E CB 0.535 30.234 29.700 -0.002 0.000 0.993 142 E HN 0.564 nan 8.360 nan 0.000 0.482 143 G N 1.719 110.546 108.800 0.045 0.000 2.168 143 G HA2 -0.326 3.638 3.960 0.006 0.000 0.257 143 G HA3 -0.326 3.638 3.960 0.006 0.000 0.257 143 G C 0.541 175.485 174.900 0.073 0.000 0.997 143 G CA 0.433 45.570 45.100 0.062 0.000 0.708 143 G HN 0.480 nan 8.290 nan 0.000 0.520 144 A N -0.771 122.091 122.820 0.069 0.000 2.371 144 A HA 0.675 4.998 4.320 0.006 0.000 0.257 144 A C 0.572 178.237 177.584 0.135 0.000 1.089 144 A CA 0.170 52.255 52.037 0.080 0.000 0.794 144 A CB 1.069 20.098 19.000 0.049 0.000 1.029 144 A HN 1.110 nan 8.150 nan 0.000 0.488 145 V N 3.033 123.036 119.914 0.147 0.000 2.406 145 V HA 0.345 4.469 4.120 0.006 0.000 0.272 145 V C -0.031 176.199 176.094 0.226 0.000 1.043 145 V CA -0.036 62.382 62.300 0.196 0.000 0.915 145 V CB 0.724 32.654 31.823 0.177 0.000 0.988 145 V HN 0.717 nan 8.190 nan 0.000 0.466 146 L N 6.125 127.537 121.223 0.315 0.000 2.341 146 L HA 0.762 5.106 4.340 0.006 0.000 0.278 146 L C -0.925 176.229 176.870 0.473 0.000 1.005 146 L CA -0.329 54.751 54.840 0.400 0.000 0.818 146 L CB 1.964 44.263 42.059 0.400 0.000 1.259 146 L HN 0.430 nan 8.230 nan 0.000 0.418 147 V N 2.977 123.145 119.914 0.422 0.000 2.656 147 V HA 0.680 4.804 4.120 0.006 0.000 0.307 147 V C -0.573 175.749 176.094 0.380 0.000 1.051 147 V CA -0.446 62.051 62.300 0.328 0.000 0.893 147 V CB 2.096 34.040 31.823 0.201 0.000 0.999 147 V HN 0.843 nan 8.190 nan 0.000 0.426 148 S N 5.265 121.180 115.700 0.359 0.000 2.549 148 S HA 0.895 5.368 4.470 0.006 0.000 0.280 148 S C -0.854 173.875 174.600 0.215 0.000 1.109 148 S CA -0.815 57.601 58.200 0.360 0.000 0.905 148 S CB 2.322 65.867 63.200 0.574 0.000 1.081 148 S HN 0.891 nan 8.310 nan 0.000 0.477 149 M N 1.425 121.123 119.600 0.163 0.000 2.530 149 M HA 0.632 5.115 4.480 0.006 0.000 0.307 149 M C -1.760 174.737 176.300 0.328 0.000 1.161 149 M CA -0.535 54.845 55.300 0.134 0.000 0.903 149 M CB 1.351 33.863 32.600 -0.147 0.000 1.711 149 M HN 0.556 nan 8.290 nan 0.000 0.451 150 N N 2.937 121.895 118.700 0.429 0.000 2.525 150 N HA 0.553 5.296 4.740 0.006 0.000 0.271 150 N C -1.360 174.426 175.510 0.460 0.000 1.194 150 N CA 0.214 53.542 53.050 0.462 0.000 0.964 150 N CB 0.418 39.114 38.487 0.348 0.000 1.126 150 N HN 0.723 nan 8.380 nan 0.000 0.452 151 Y N -2.078 118.389 120.300 0.278 0.000 2.534 151 Y HA 0.543 5.096 4.550 0.006 0.000 0.345 151 Y C -0.177 175.848 175.900 0.207 0.000 1.031 151 Y CA -1.335 56.878 58.100 0.188 0.000 1.022 151 Y CB 0.916 39.423 38.460 0.078 0.000 1.292 151 Y HN 0.213 nan 8.280 nan 0.000 0.459 152 R N 1.921 122.551 120.500 0.216 0.000 2.623 152 R HA 0.470 4.813 4.340 0.006 0.000 0.271 152 R C -0.287 176.147 176.300 0.224 0.000 1.043 152 R CA -0.068 56.112 56.100 0.135 0.000 1.083 152 R CB 0.754 31.099 30.300 0.075 0.000 0.974 152 R HN 0.708 nan 8.270 nan 0.000 0.436 153 V N -0.431 119.654 119.914 0.286 0.000 3.158 153 V HA 0.888 5.011 4.120 0.006 0.000 0.315 153 V C 0.731 177.152 176.094 0.546 0.000 1.148 153 V CA -0.148 62.445 62.300 0.489 0.000 1.042 153 V CB 1.233 33.251 31.823 0.326 0.000 1.101 153 V HN 0.986 nan 8.190 nan 0.000 0.448 154 G N 1.842 111.013 108.800 0.619 0.000 2.564 154 G HA2 -0.272 3.691 3.960 0.006 0.000 0.273 154 G HA3 -0.272 3.691 3.960 0.006 0.000 0.273 154 G C 1.005 176.053 174.900 0.246 0.000 1.242 154 G CA 1.336 46.720 45.100 0.474 0.000 0.951 154 G HN 2.367 nan 8.290 nan 0.000 0.564 155 T N -1.825 112.603 114.554 -0.211 0.000 2.720 155 T HA -0.103 4.250 4.350 0.006 0.000 0.268 155 T C 2.148 176.700 174.700 -0.246 0.000 1.037 155 T CA 2.617 64.332 62.100 -0.643 0.000 1.144 155 T CB -0.442 67.908 68.868 -0.864 0.000 0.864 155 T HN 0.659 nan 8.240 nan 0.000 0.444 156 F N 2.009 121.997 119.950 0.064 0.000 2.333 156 F HA 0.255 4.785 4.527 0.006 0.000 0.300 156 F C 2.565 178.343 175.800 -0.036 0.000 1.083 156 F CA 0.652 58.646 58.000 -0.011 0.000 1.395 156 F CB -0.601 38.370 39.000 -0.048 0.000 1.056 156 F HN 0.413 nan 8.300 nan 0.000 0.529 157 G N -2.393 106.457 108.800 0.083 0.000 2.848 157 G HA2 0.121 4.085 3.960 0.006 0.000 0.213 157 G HA3 0.121 4.085 3.960 0.006 0.000 0.213 157 G C 0.766 175.167 174.900 -0.831 0.000 1.101 157 G CA 0.116 45.005 45.100 -0.351 0.000 0.778 157 G HN 0.336 nan 8.290 nan 0.000 0.536 158 F N -0.537 119.481 119.950 0.114 0.000 2.974 158 F HA 0.415 4.946 4.527 0.007 0.000 0.357 158 F C 0.419 176.265 175.800 0.077 0.000 1.114 158 F CA -0.906 57.144 58.000 0.083 0.000 1.099 158 F CB 0.387 39.452 39.000 0.107 0.000 1.205 158 F HN -0.072 nan 8.300 nan 0.000 0.535 159 L N 2.288 123.524 121.223 0.022 0.000 2.513 159 L HA 0.563 4.907 4.340 0.006 0.000 0.272 159 L C -0.076 176.737 176.870 -0.095 0.000 1.187 159 L CA -0.016 54.729 54.840 -0.159 0.000 0.895 159 L CB 0.469 42.148 42.059 -0.635 0.000 1.147 159 L HN 0.122 nan 8.230 nan 0.000 0.483 160 A N 6.241 129.057 122.820 -0.006 0.000 2.374 160 A HA 0.677 5.001 4.320 0.006 0.000 0.305 160 A C -1.121 176.436 177.584 -0.046 0.000 1.053 160 A CA -0.588 51.434 52.037 -0.024 0.000 0.726 160 A CB 1.322 20.344 19.000 0.037 0.000 1.229 160 A HN 0.711 nan 8.150 nan 0.000 0.431 161 L N 3.647 124.828 121.223 -0.070 0.000 2.371 161 L HA 0.339 4.682 4.340 0.006 0.000 0.262 161 L C -2.407 174.448 176.870 -0.026 0.000 1.054 161 L CA -1.620 53.190 54.840 -0.051 0.000 0.924 161 L CB 1.391 43.407 42.059 -0.073 0.000 1.295 161 L HN 0.402 nan 8.230 nan 0.000 0.441 162 P HA 0.113 nan 4.420 nan 0.000 0.264 162 P C 0.982 178.282 177.300 0.000 0.000 1.193 162 P CA 0.702 63.802 63.100 0.000 0.000 0.763 162 P CB 1.022 32.724 31.700 0.003 0.000 0.810 163 G N 1.847 110.650 108.800 0.006 0.000 2.284 163 G HA2 -0.254 3.710 3.960 0.006 0.000 0.230 163 G HA3 -0.254 3.710 3.960 0.006 0.000 0.230 163 G C 0.542 175.445 174.900 0.005 0.000 1.021 163 G CA 0.257 45.361 45.100 0.007 0.000 0.619 163 G HN 0.808 nan 8.290 nan 0.000 0.510 164 S N -0.056 115.643 115.700 -0.000 0.000 2.606 164 S HA 0.538 5.012 4.470 0.006 0.000 0.257 164 S C 1.249 175.854 174.600 0.009 0.000 1.327 164 S CA 0.733 58.932 58.200 -0.001 0.000 0.984 164 S CB 1.668 64.860 63.200 -0.013 0.000 0.941 164 S HN 0.575 nan 8.310 nan 0.000 0.576 165 R N -0.220 120.287 120.500 0.013 0.000 2.175 165 R HA 0.129 4.473 4.340 0.006 0.000 0.202 165 R C 1.020 177.338 176.300 0.031 0.000 1.018 165 R CA 0.621 56.734 56.100 0.022 0.000 1.029 165 R CB -0.133 30.180 30.300 0.021 0.000 0.959 165 R HN 0.780 nan 8.270 nan 0.000 0.480 166 E N -0.289 119.929 120.200 0.029 0.000 2.489 166 E HA 0.161 4.515 4.350 0.006 0.000 0.193 166 E C -0.457 176.186 176.600 0.072 0.000 1.057 166 E CA 0.375 56.807 56.400 0.053 0.000 0.866 166 E CB 1.444 31.173 29.700 0.049 0.000 0.916 166 E HN 0.281 nan 8.360 nan 0.000 0.500 167 A N 0.803 123.640 122.820 0.028 0.000 3.208 167 A HA 0.228 4.552 4.320 0.006 0.000 0.252 167 A C -2.269 175.312 177.584 -0.005 0.000 1.225 167 A CA -0.778 51.260 52.037 0.001 0.000 0.980 167 A CB 0.340 19.249 19.000 -0.152 0.000 1.414 167 A HN -0.075 nan 8.150 nan 0.000 0.721 168 P HA 0.167 nan 4.420 nan 0.000 0.229 168 P C 0.990 178.305 177.300 0.025 0.000 1.160 168 P CA 1.909 65.024 63.100 0.025 0.000 0.777 168 P CB 0.160 31.884 31.700 0.040 0.000 0.814 169 G N 0.652 109.464 108.800 0.020 0.000 2.746 169 G HA2 -0.188 3.775 3.960 0.006 0.000 0.685 169 G HA3 -0.188 3.775 3.960 0.006 0.000 0.685 169 G C -0.172 174.731 174.900 0.005 0.000 1.350 169 G CA -0.312 44.805 45.100 0.029 0.000 0.837 169 G HN 0.149 nan 8.290 nan 0.000 0.564 170 N N -2.306 116.402 118.700 0.014 0.000 2.681 170 N HA -0.274 4.470 4.740 0.006 0.000 0.250 170 N C 1.783 177.169 175.510 -0.208 0.000 1.133 170 N CA 2.273 55.272 53.050 -0.085 0.000 0.732 170 N CB -1.646 36.723 38.487 -0.196 0.000 1.107 170 N HN 1.904 nan 8.380 nan 0.000 0.559 171 V N -3.153 116.621 119.914 -0.234 0.000 2.667 171 V HA 0.084 4.207 4.120 0.006 0.000 0.252 171 V C 2.282 178.254 176.094 -0.204 0.000 1.065 171 V CA 2.027 64.232 62.300 -0.158 0.000 1.083 171 V CB -0.680 31.097 31.823 -0.076 0.000 0.692 171 V HN 0.256 nan 8.190 nan 0.000 0.468 172 G N 0.617 109.117 108.800 -0.500 0.000 2.422 172 G HA2 -0.145 3.819 3.960 0.006 0.000 0.218 172 G HA3 -0.145 3.819 3.960 0.006 0.000 0.218 172 G C 1.541 176.400 174.900 -0.069 0.000 1.146 172 G CA 1.150 46.065 45.100 -0.308 0.000 0.769 172 G HN 0.529 nan 8.290 nan 0.000 0.547 173 L N -0.172 120.958 121.223 -0.155 0.000 2.141 173 L HA 0.065 4.409 4.340 0.006 0.000 0.209 173 L C 2.795 179.679 176.870 0.024 0.000 1.094 173 L CA 0.385 55.097 54.840 -0.214 0.000 0.763 173 L CB -0.245 41.341 42.059 -0.787 0.000 0.908 173 L HN 0.192 nan 8.230 nan 0.000 0.437 174 L N -0.737 120.510 121.223 0.039 0.000 2.156 174 L HA -0.174 4.170 4.340 0.006 0.000 0.208 174 L C 2.154 179.137 176.870 0.188 0.000 1.095 174 L CA 0.710 55.656 54.840 0.176 0.000 0.770 174 L CB -0.590 41.550 42.059 0.136 0.000 0.914 174 L HN 0.258 nan 8.230 nan 0.000 0.439 175 D N 0.130 120.630 120.400 0.166 0.000 2.104 175 D HA -0.217 4.426 4.640 0.006 0.000 0.194 175 D C 2.250 178.721 176.300 0.285 0.000 0.994 175 D CA 1.249 55.422 54.000 0.288 0.000 0.830 175 D CB -0.250 40.727 40.800 0.294 0.000 0.959 175 D HN 0.389 nan 8.370 nan 0.000 0.452 176 Q N 0.081 119.973 119.800 0.153 0.000 2.061 176 Q HA -0.157 4.187 4.340 0.006 0.000 0.204 176 Q C 2.315 178.317 176.000 0.003 0.000 0.984 176 Q CA 1.193 57.014 55.803 0.030 0.000 0.846 176 Q CB -0.099 28.651 28.738 0.021 0.000 0.902 176 Q HN 0.215 nan 8.270 nan 0.000 0.421 177 R N 0.577 121.166 120.500 0.148 0.000 2.092 177 R HA -0.157 4.187 4.340 0.006 0.000 0.231 177 R C 2.238 178.597 176.300 0.098 0.000 1.119 177 R CA 0.890 57.056 56.100 0.110 0.000 0.970 177 R CB -0.213 30.255 30.300 0.279 0.000 0.864 177 R HN 0.229 nan 8.270 nan 0.000 0.440 178 L N 0.910 122.232 121.223 0.164 0.000 2.042 178 L HA -0.086 4.258 4.340 0.006 0.000 0.210 178 L C 2.277 179.232 176.870 0.141 0.000 1.076 178 L CA 2.225 57.195 54.840 0.216 0.000 0.749 178 L CB -0.680 41.590 42.059 0.352 0.000 0.893 178 L HN 0.253 nan 8.230 nan 0.000 0.432 179 A N -0.672 122.063 122.820 -0.142 0.000 1.969 179 A HA -0.124 4.200 4.320 0.006 0.000 0.218 179 A C 2.215 179.748 177.584 -0.086 0.000 1.169 179 A CA 1.702 53.466 52.037 -0.455 0.000 0.635 179 A CB -0.812 17.609 19.000 -0.966 0.000 0.810 179 A HN 0.524 nan 8.150 nan 0.000 0.445 180 L N -0.994 120.193 121.223 -0.060 0.000 2.083 180 L HA -0.251 4.093 4.340 0.006 0.000 0.209 180 L C 2.776 179.695 176.870 0.081 0.000 1.083 180 L CA 1.592 56.431 54.840 -0.001 0.000 0.752 180 L CB -0.770 41.243 42.059 -0.075 0.000 0.899 180 L HN 0.514 nan 8.230 nan 0.000 0.433 181 Q N -1.152 118.712 119.800 0.106 0.000 2.123 181 Q HA -0.226 4.117 4.340 0.006 0.000 0.199 181 Q C 2.045 178.142 176.000 0.161 0.000 0.966 181 Q CA 1.585 57.460 55.803 0.120 0.000 0.845 181 Q CB -0.248 28.563 28.738 0.123 0.000 0.907 181 Q HN 0.524 nan 8.270 nan 0.000 0.439 182 W N 0.731 122.048 121.300 0.029 0.000 2.342 182 W HA -0.229 4.434 4.660 0.006 0.000 0.297 182 W C 1.778 178.326 176.519 0.047 0.000 1.213 182 W CA 1.305 58.681 57.345 0.053 0.000 1.251 182 W CB 0.026 29.513 29.460 0.045 0.000 1.136 182 W HN -0.142 nan 8.180 nan 0.000 0.526 183 V N 0.645 120.766 119.914 0.345 0.000 2.358 183 V HA -0.314 3.809 4.120 0.006 0.000 0.246 183 V C 2.538 178.660 176.094 0.047 0.000 1.047 183 V CA 1.920 64.357 62.300 0.228 0.000 1.035 183 V CB -0.979 30.990 31.823 0.242 0.000 0.658 183 V HN 0.160 nan 8.190 nan 0.000 0.452 184 Q N -0.050 119.781 119.800 0.051 0.000 2.077 184 Q HA -0.281 4.063 4.340 0.006 0.000 0.206 184 Q C 2.246 178.220 176.000 -0.044 0.000 0.989 184 Q CA 2.159 57.975 55.803 0.022 0.000 0.853 184 Q CB -0.343 28.413 28.738 0.031 0.000 0.907 184 Q HN 0.760 nan 8.270 nan 0.000 0.418 185 E N -0.326 119.812 120.200 -0.103 0.000 2.112 185 E HA -0.081 4.272 4.350 0.006 0.000 0.190 185 E C 1.215 177.663 176.600 -0.252 0.000 0.979 185 E CA 0.645 56.949 56.400 -0.161 0.000 0.814 185 E CB 0.303 29.907 29.700 -0.160 0.000 0.762 185 E HN 0.311 nan 8.360 nan 0.000 0.460 186 N N -0.057 118.390 118.700 -0.422 0.000 2.273 186 N HA -0.013 4.731 4.740 0.006 0.000 0.192 186 N C 1.519 176.892 175.510 -0.228 0.000 1.132 186 N CA 0.041 52.780 53.050 -0.518 0.000 0.887 186 N CB 0.352 38.109 38.487 -1.217 0.000 1.048 186 N HN 0.114 nan 8.380 nan 0.000 0.490 187 I N 2.245 122.754 120.570 -0.101 0.000 2.567 187 I HA -0.099 4.075 4.170 0.006 0.000 0.257 187 I C 2.066 178.290 176.117 0.179 0.000 1.184 187 I CA 0.506 61.895 61.300 0.147 0.000 1.451 187 I CB -0.200 37.882 38.000 0.137 0.000 1.089 187 I HN 0.036 nan 8.210 nan 0.000 0.441 188 A N 0.064 122.911 122.820 0.045 0.000 2.067 188 A HA 0.008 4.331 4.320 0.006 0.000 0.219 188 A C 2.438 180.005 177.584 -0.028 0.000 1.158 188 A CA 1.222 53.270 52.037 0.018 0.000 0.661 188 A CB -0.912 18.076 19.000 -0.020 0.000 0.801 188 A HN 0.434 nan 8.150 nan 0.000 0.452 189 A N -1.456 121.295 122.820 -0.115 0.000 2.125 189 A HA 0.090 4.413 4.320 0.006 0.000 0.219 189 A C 1.430 178.765 177.584 -0.415 0.000 1.156 189 A CA 1.072 52.920 52.037 -0.315 0.000 0.671 189 A CB -0.622 18.071 19.000 -0.512 0.000 0.794 189 A HN 0.503 nan 8.150 nan 0.000 0.459 190 F N -1.617 118.289 119.950 -0.074 0.000 2.678 190 F HA 0.390 4.921 4.527 0.006 0.000 0.305 190 F C 1.736 177.549 175.800 0.021 0.000 1.090 190 F CA 0.500 58.478 58.000 -0.036 0.000 1.272 190 F CB 0.436 39.429 39.000 -0.012 0.000 1.060 190 F HN 0.307 nan 8.300 nan 0.000 0.576 191 G N 0.405 109.289 108.800 0.139 0.000 2.157 191 G HA2 -0.192 3.772 3.960 0.006 0.000 0.248 191 G HA3 -0.192 3.772 3.960 0.006 0.000 0.248 191 G C 0.650 175.620 174.900 0.117 0.000 0.979 191 G CA -0.244 44.918 45.100 0.103 0.000 0.650 191 G HN 0.710 nan 8.290 nan 0.000 0.529 192 G N -0.504 108.389 108.800 0.155 0.000 2.476 192 G HA2 0.468 4.432 3.960 0.006 0.000 0.269 192 G HA3 0.468 4.432 3.960 0.006 0.000 0.269 192 G C -0.701 174.254 174.900 0.091 0.000 1.195 192 G CA 0.331 45.511 45.100 0.133 0.000 0.843 192 G HN 0.233 nan 8.290 nan 0.000 0.545 193 D N 1.423 121.868 120.400 0.076 0.000 2.454 193 D HA 0.292 4.935 4.640 0.006 0.000 0.225 193 D C -1.222 175.118 176.300 0.067 0.000 1.081 193 D CA -2.388 51.641 54.000 0.048 0.000 0.864 193 D CB 1.842 42.654 40.800 0.020 0.000 1.040 193 D HN 0.047 nan 8.370 nan 0.000 0.517 194 P HA -0.091 nan 4.420 nan 0.000 0.231 194 P C 1.131 178.537 177.300 0.177 0.000 1.158 194 P CA 0.728 63.897 63.100 0.115 0.000 0.763 194 P CB 0.145 31.888 31.700 0.071 0.000 0.805 195 M N -1.854 117.772 119.600 0.044 0.000 2.428 195 M HA 0.104 4.588 4.480 0.006 0.000 0.239 195 M C 0.759 176.746 176.300 -0.522 0.000 1.121 195 M CA 0.557 55.764 55.300 -0.156 0.000 1.019 195 M CB 0.205 32.716 32.600 -0.149 0.000 1.485 195 M HN -0.169 nan 8.290 nan 0.000 0.484 196 S N 1.412 117.023 115.700 -0.149 0.000 2.158 196 S HA 0.411 4.885 4.470 0.006 0.000 0.160 196 S C -0.821 173.881 174.600 0.170 0.000 1.693 196 S CA -0.412 57.744 58.200 -0.074 0.000 1.251 196 S CB 0.403 63.552 63.200 -0.084 0.000 1.153 196 S HN 0.020 nan 8.310 nan 0.000 0.439 197 V N 3.791 123.984 119.914 0.466 0.000 2.347 197 V HA 0.497 4.620 4.120 0.006 0.000 0.280 197 V C 0.144 176.425 176.094 0.311 0.000 1.021 197 V CA -0.403 62.096 62.300 0.331 0.000 0.847 197 V CB 1.634 33.622 31.823 0.274 0.000 0.990 197 V HN 0.653 nan 8.190 nan 0.000 0.444 198 T N 6.720 121.408 114.554 0.225 0.000 2.770 198 T HA 0.571 4.925 4.350 0.006 0.000 0.283 198 T C -0.184 174.658 174.700 0.236 0.000 0.988 198 T CA -0.350 61.882 62.100 0.221 0.000 0.957 198 T CB 0.831 69.779 68.868 0.135 0.000 0.930 198 T HN 0.352 nan 8.240 nan 0.000 0.443 199 L N 4.996 126.313 121.223 0.157 0.000 2.349 199 L HA 0.651 4.995 4.340 0.006 0.000 0.275 199 L C -0.357 176.710 176.870 0.328 0.000 1.115 199 L CA -0.745 54.153 54.840 0.096 0.000 0.820 199 L CB 0.160 42.043 42.059 -0.293 0.000 1.135 199 L HN 0.621 nan 8.230 nan 0.000 0.445 200 F N 0.602 120.612 119.950 0.099 0.000 2.601 200 F HA 0.963 5.494 4.527 0.006 0.000 0.309 200 F C -0.302 175.480 175.800 -0.030 0.000 1.089 200 F CA -1.357 56.750 58.000 0.177 0.000 0.940 200 F CB 1.638 40.890 39.000 0.420 0.000 1.273 200 F HN 0.488 nan 8.300 nan 0.000 0.450 201 G N 1.309 109.952 108.800 -0.261 0.000 2.601 201 G HA2 0.490 4.454 3.960 0.006 0.000 0.291 201 G HA3 0.490 4.454 3.960 0.006 0.000 0.291 201 G C -2.447 172.210 174.900 -0.406 0.000 1.456 201 G CA -0.743 43.771 45.100 -0.978 0.000 0.804 201 G HN 0.898 nan 8.290 nan 0.000 0.499 205 G N 0.621 109.209 108.800 -0.353 0.000 2.418 205 G HA2 0.111 4.075 3.960 0.006 0.000 0.217 205 G HA3 0.111 4.075 3.960 0.006 0.000 0.217 205 G C 1.658 176.376 174.900 -0.304 0.000 1.158 205 G CA 1.771 46.617 45.100 -0.424 0.000 0.771 205 G HN 1.219 nan 8.290 nan 0.000 0.545 206 A N 1.185 123.897 122.820 -0.180 0.000 1.898 206 A HA 0.298 4.621 4.320 0.006 0.000 0.216 206 A C 2.833 180.393 177.584 -0.040 0.000 1.181 206 A CA 2.203 54.199 52.037 -0.069 0.000 0.620 206 A CB -0.841 18.173 19.000 0.023 0.000 0.819 206 A HN 0.782 nan 8.150 nan 0.000 0.442 207 A N -0.256 122.564 122.820 -0.001 0.000 1.883 207 A HA -0.127 4.197 4.320 0.006 0.000 0.217 207 A C 2.444 180.030 177.584 0.002 0.000 1.186 207 A CA 2.243 54.280 52.037 0.001 0.000 0.624 207 A CB -1.063 17.977 19.000 0.065 0.000 0.822 207 A HN 0.473 nan 8.150 nan 0.000 0.444 208 S N -0.488 115.216 115.700 0.007 0.000 2.374 208 S HA -0.175 4.299 4.470 0.006 0.000 0.227 208 S C 1.885 176.423 174.600 -0.103 0.000 1.037 208 S CA 1.536 59.685 58.200 -0.085 0.000 1.024 208 S CB -0.634 62.459 63.200 -0.178 0.000 0.861 208 S HN 0.349 nan 8.310 nan 0.000 0.456 209 V N 1.590 121.459 119.914 -0.074 0.000 2.295 209 V HA -0.162 3.962 4.120 0.006 0.000 0.246 209 V C 2.644 178.727 176.094 -0.019 0.000 1.049 209 V CA 2.017 64.285 62.300 -0.053 0.000 1.024 209 V CB -1.474 30.297 31.823 -0.087 0.000 0.648 209 V HN 0.607 nan 8.190 nan 0.000 0.447 210 G N -1.021 107.764 108.800 -0.024 0.000 2.448 210 G HA2 -0.263 3.701 3.960 0.006 0.000 0.219 210 G HA3 -0.263 3.701 3.960 0.006 0.000 0.219 210 G C 1.571 176.483 174.900 0.021 0.000 1.127 210 G CA 0.980 46.074 45.100 -0.010 0.000 0.766 210 G HN 0.467 nan 8.290 nan 0.000 0.552 211 M N -0.367 119.229 119.600 -0.006 0.000 2.349 211 M HA 0.081 4.564 4.480 0.006 0.000 0.266 211 M C 2.155 178.530 176.300 0.125 0.000 1.076 211 M CA 0.619 55.949 55.300 0.050 0.000 1.126 211 M CB -0.134 32.468 32.600 0.003 0.000 1.392 211 M HN 0.164 nan 8.290 nan 0.000 0.440 212 H N 0.072 119.251 119.070 0.182 0.000 2.462 212 H HA 0.037 4.596 4.556 0.006 0.000 0.292 212 H C 2.042 177.548 175.328 0.298 0.000 1.049 212 H CA 1.260 57.423 56.048 0.190 0.000 1.334 212 H CB -0.129 29.645 29.762 0.020 0.000 1.404 212 H HN 0.414 nan 8.280 nan 0.000 0.544 213 I N 0.449 121.251 120.570 0.387 0.000 2.439 213 I HA -0.197 3.976 4.170 0.006 0.000 0.251 213 I C 1.755 178.035 176.117 0.271 0.000 1.139 213 I CA 0.891 62.433 61.300 0.403 0.000 1.438 213 I CB -0.002 38.159 38.000 0.268 0.000 1.085 213 I HN 0.099 nan 8.210 nan 0.000 0.427 214 L N -0.759 120.579 121.223 0.192 0.000 2.592 214 L HA 0.105 4.449 4.340 0.006 0.000 0.227 214 L C 0.925 177.833 176.870 0.064 0.000 1.127 214 L CA 0.080 55.014 54.840 0.157 0.000 0.884 214 L CB 0.066 42.200 42.059 0.124 0.000 1.065 214 L HN 0.022 nan 8.230 nan 0.000 0.457 215 S N -0.128 115.571 115.700 -0.002 0.000 2.594 215 S HA 0.223 4.697 4.470 0.006 0.000 0.322 215 S C 0.662 175.171 174.600 -0.152 0.000 1.085 215 S CA -0.618 57.451 58.200 -0.218 0.000 1.116 215 S CB 1.139 63.880 63.200 -0.764 0.000 0.979 215 S HN 0.155 nan 8.310 nan 0.000 0.465 216 L N 7.347 128.503 121.223 -0.111 0.000 2.013 216 L HA 0.080 4.424 4.340 0.006 0.000 0.212 216 L C -1.102 175.725 176.870 -0.071 0.000 1.073 216 L CA 2.238 57.036 54.840 -0.070 0.000 0.753 216 L CB -1.107 40.914 42.059 -0.063 0.000 0.890 216 L HN 0.483 nan 8.230 nan 0.000 0.432 217 P HA -0.094 nan 4.420 nan 0.000 0.223 217 P C 1.485 178.775 177.300 -0.018 0.000 1.144 217 P CA 1.369 64.432 63.100 -0.060 0.000 0.783 217 P CB -0.011 31.646 31.700 -0.071 0.000 0.771 218 S N -1.336 114.367 115.700 0.005 0.000 2.501 218 S HA 0.060 4.534 4.470 0.006 0.000 0.220 218 S C 1.784 176.475 174.600 0.151 0.000 0.997 218 S CA 0.157 58.440 58.200 0.137 0.000 0.919 218 S CB -0.243 63.154 63.200 0.328 0.000 0.778 218 S HN 0.029 nan 8.310 nan 0.000 0.523 219 R N 2.207 122.718 120.500 0.018 0.000 2.096 219 R HA 0.016 4.360 4.340 0.006 0.000 0.235 219 R C 2.278 178.401 176.300 -0.296 0.000 1.127 219 R CA 1.473 57.473 56.100 -0.166 0.000 0.968 219 R CB -1.268 28.964 30.300 -0.113 0.000 0.861 219 R HN 0.547 nan 8.270 nan 0.000 0.440 220 S N -0.067 115.542 115.700 -0.152 0.000 2.607 220 S HA 0.077 4.551 4.470 0.006 0.000 0.224 220 S C 1.706 176.222 174.600 -0.141 0.000 0.969 220 S CA 0.268 58.385 58.200 -0.139 0.000 0.927 220 S CB -0.173 62.989 63.200 -0.065 0.000 0.772 220 S HN 0.205 nan 8.310 nan 0.000 0.533 221 L N 0.236 121.396 121.223 -0.106 0.000 2.585 221 L HA 0.466 4.809 4.340 0.006 0.000 0.226 221 L C 0.187 177.050 176.870 -0.012 0.000 1.113 221 L CA -0.203 54.629 54.840 -0.013 0.000 0.876 221 L CB -0.085 42.017 42.059 0.071 0.000 1.072 221 L HN 0.534 nan 8.230 nan 0.000 0.468 222 F N -4.029 115.699 119.950 -0.369 0.000 2.741 222 F HA 0.451 4.981 4.527 0.005 0.000 0.313 222 F C 0.340 175.759 175.800 -0.634 0.000 1.153 222 F CA -0.964 56.752 58.000 -0.473 0.000 0.931 222 F CB 0.828 39.731 39.000 -0.162 0.000 1.335 222 F HN -0.160 nan 8.300 nan 0.000 0.460 223 H N -0.431 118.696 119.070 0.095 0.000 2.926 223 H HA 0.456 5.016 4.556 0.006 0.000 0.249 223 H C -0.108 175.256 175.328 0.061 0.000 0.963 223 H CA -0.005 56.019 56.048 -0.041 0.000 1.158 223 H CB 0.896 30.641 29.762 -0.029 0.000 1.445 223 H HN 0.438 nan 8.280 nan 0.000 0.452 224 R N 0.155 120.862 120.500 0.346 0.000 2.799 224 R HA 0.720 5.064 4.340 0.006 0.000 0.270 224 R C -1.392 175.175 176.300 0.445 0.000 1.010 224 R CA -0.696 55.578 56.100 0.291 0.000 0.916 224 R CB 2.876 33.135 30.300 -0.069 0.000 1.228 224 R HN 0.147 nan 8.270 nan 0.000 0.469 225 A N 1.173 124.273 122.820 0.466 0.000 2.455 225 A HA 0.622 4.946 4.320 0.006 0.000 0.300 225 A C -1.317 176.434 177.584 0.278 0.000 1.040 225 A CA -0.611 51.623 52.037 0.327 0.000 0.697 225 A CB 1.714 20.857 19.000 0.238 0.000 1.265 225 A HN 0.317 nan 8.150 nan 0.000 0.407 226 V N 2.606 122.644 119.914 0.208 0.000 2.417 226 V HA 0.497 4.621 4.120 0.006 0.000 0.291 226 V C -0.897 175.297 176.094 0.168 0.000 1.024 226 V CA -0.379 61.974 62.300 0.089 0.000 0.861 226 V CB 1.127 33.023 31.823 0.122 0.000 0.985 226 V HN 0.684 nan 8.190 nan 0.000 0.436 227 L N 5.228 126.521 121.223 0.116 0.000 2.316 227 L HA 0.506 4.850 4.340 0.006 0.000 0.280 227 L C 0.046 177.025 176.870 0.182 0.000 1.006 227 L CA 0.059 54.965 54.840 0.109 0.000 0.836 227 L CB 1.513 43.590 42.059 0.031 0.000 1.221 227 L HN 0.627 nan 8.230 nan 0.000 0.418 228 Q N 2.343 122.286 119.800 0.238 0.000 2.431 228 Q HA 0.455 4.798 4.340 0.006 0.000 0.249 228 Q C -0.100 176.014 176.000 0.189 0.000 1.025 228 Q CA -0.432 55.567 55.803 0.327 0.000 0.835 228 Q CB 1.096 30.113 28.738 0.464 0.000 1.207 228 Q HN 0.657 nan 8.270 nan 0.000 0.490 229 S N 0.855 116.647 115.700 0.153 0.000 3.858 229 S HA -0.115 4.359 4.470 0.006 0.000 0.356 229 S C -0.026 174.733 174.600 0.265 0.000 1.013 229 S CA 0.426 58.733 58.200 0.178 0.000 1.083 229 S CB -1.213 62.068 63.200 0.135 0.000 0.883 229 S HN 1.001 nan 8.310 nan 0.000 0.475 230 G N -0.283 108.637 108.800 0.200 0.000 2.442 230 G HA2 0.625 4.589 3.960 0.006 0.000 0.296 230 G HA3 0.625 4.589 3.960 0.006 0.000 0.296 230 G C -0.925 174.025 174.900 0.084 0.000 1.564 230 G CA 0.268 45.529 45.100 0.268 0.000 0.828 230 G HN 1.057 nan 8.290 nan 0.000 0.571 231 T N -1.189 113.355 114.554 -0.017 0.000 2.868 231 T HA 0.759 5.113 4.350 0.006 0.000 0.306 231 T C -2.287 172.272 174.700 -0.235 0.000 1.224 231 T CA -1.366 60.660 62.100 -0.122 0.000 1.012 231 T CB 3.091 71.874 68.868 -0.142 0.000 1.221 231 T HN 0.291 nan 8.240 nan 0.000 0.499 232 P HA -0.007 nan 4.420 nan 0.000 0.222 232 P C 0.215 177.366 177.300 -0.249 0.000 1.153 232 P CA 0.637 63.621 63.100 -0.193 0.000 0.798 232 P CB -0.007 31.630 31.700 -0.105 0.000 0.796 233 N N 0.286 118.849 118.700 -0.228 0.000 2.413 233 N HA 0.357 5.101 4.740 0.006 0.000 0.266 233 N C 0.719 176.033 175.510 -0.327 0.000 1.238 233 N CA 0.356 53.273 53.050 -0.222 0.000 0.972 233 N CB 0.681 39.081 38.487 -0.145 0.000 1.210 233 N HN 0.163 nan 8.380 nan 0.000 0.547 234 G N -0.638 107.991 108.800 -0.286 0.000 2.566 234 G HA2 -0.128 3.836 3.960 0.006 0.000 0.599 234 G HA3 -0.128 3.836 3.960 0.006 0.000 0.599 234 G C -2.384 172.284 174.900 -0.386 0.000 1.292 234 G CA -0.177 44.709 45.100 -0.357 0.000 0.922 234 G HN 0.550 nan 8.290 nan 0.000 0.514 235 P HA 0.176 nan 4.420 nan 0.000 0.245 235 P C 1.380 178.611 177.300 -0.115 0.000 1.203 235 P CA 1.820 64.780 63.100 -0.233 0.000 0.792 235 P CB -0.023 31.503 31.700 -0.289 0.000 0.997 236 W N -1.864 119.349 121.300 -0.146 0.000 2.773 236 W HA 0.573 5.236 4.660 0.005 0.000 0.297 236 W C 0.970 177.572 176.519 0.139 0.000 1.050 236 W CA 0.421 57.765 57.345 -0.002 0.000 1.467 236 W CB -0.710 28.783 29.460 0.055 0.000 0.977 236 W HN -0.181 nan 8.180 nan 0.000 0.573 237 A N 2.064 124.526 122.820 -0.596 0.000 2.067 237 A HA 0.109 4.433 4.320 0.006 0.000 0.217 237 A C 1.118 178.565 177.584 -0.229 0.000 1.156 237 A CA 1.875 53.645 52.037 -0.445 0.000 0.683 237 A CB -0.802 17.719 19.000 -0.799 0.000 0.808 237 A HN 0.243 nan 8.150 nan 0.000 0.455 238 T N -3.016 111.417 114.554 -0.203 0.000 2.883 238 T HA 0.596 4.950 4.350 0.006 0.000 0.301 238 T C -0.669 173.963 174.700 -0.113 0.000 1.158 238 T CA -0.140 61.852 62.100 -0.180 0.000 1.007 238 T CB 1.462 70.228 68.868 -0.170 0.000 1.186 238 T HN 0.833 nan 8.240 nan 0.000 0.499 239 V N -0.671 119.182 119.914 -0.101 0.000 2.960 239 V HA 0.905 5.029 4.120 0.006 0.000 0.315 239 V C 0.435 176.495 176.094 -0.057 0.000 1.087 239 V CA -0.879 61.379 62.300 -0.071 0.000 0.982 239 V CB 1.316 33.098 31.823 -0.069 0.000 1.039 239 V HN 1.342 nan 8.190 nan 0.000 0.437 240 S N 1.981 117.654 115.700 -0.045 0.000 2.589 240 S HA 0.526 5.000 4.470 0.006 0.000 0.265 240 S C 1.410 175.995 174.600 -0.025 0.000 1.342 240 S CA 0.097 58.278 58.200 -0.033 0.000 1.005 240 S CB 1.081 64.264 63.200 -0.029 0.000 0.909 240 S HN 1.874 nan 8.310 nan 0.000 0.555 241 A N 1.823 124.633 122.820 -0.017 0.000 1.902 241 A HA 0.114 4.438 4.320 0.006 0.000 0.217 241 A C 2.231 179.807 177.584 -0.013 0.000 1.181 241 A CA 1.734 53.765 52.037 -0.010 0.000 0.623 241 A CB -1.864 17.133 19.000 -0.005 0.000 0.818 241 A HN 1.144 nan 8.150 nan 0.000 0.443 242 G N -0.360 108.430 108.800 -0.016 0.000 2.446 242 G HA2 -0.277 3.687 3.960 0.006 0.000 0.217 242 G HA3 -0.277 3.687 3.960 0.006 0.000 0.217 242 G C 1.483 176.371 174.900 -0.021 0.000 1.168 242 G CA 1.437 46.527 45.100 -0.017 0.000 0.771 242 G HN 0.581 nan 8.290 nan 0.000 0.551 243 E N 0.998 121.181 120.200 -0.028 0.000 2.106 243 E HA 0.091 4.444 4.350 0.006 0.000 0.192 243 E C 2.634 179.207 176.600 -0.046 0.000 0.984 243 E CA 1.402 57.778 56.400 -0.040 0.000 0.806 243 E CB -0.575 29.097 29.700 -0.047 0.000 0.750 243 E HN 0.281 nan 8.360 nan 0.000 0.458 244 A N 0.855 123.656 122.820 -0.031 0.000 1.902 244 A HA -0.174 4.149 4.320 0.006 0.000 0.217 244 A C 2.294 179.886 177.584 0.012 0.000 1.181 244 A CA 1.718 53.751 52.037 -0.006 0.000 0.623 244 A CB -0.614 18.398 19.000 0.019 0.000 0.818 244 A HN 0.275 nan 8.150 nan 0.000 0.443 245 R N -0.567 119.932 120.500 -0.002 0.000 2.083 245 R HA -0.147 4.197 4.340 0.006 0.000 0.237 245 R C 2.478 178.774 176.300 -0.006 0.000 1.137 245 R CA 1.650 57.746 56.100 -0.007 0.000 0.951 245 R CB -0.327 29.966 30.300 -0.012 0.000 0.851 245 R HN 0.515 nan 8.270 nan 0.000 0.434 246 R N 0.454 120.946 120.500 -0.014 0.000 2.080 246 R HA -0.161 4.182 4.340 0.006 0.000 0.236 246 R C 2.276 178.568 176.300 -0.013 0.000 1.137 246 R CA 2.057 58.147 56.100 -0.016 0.000 0.943 246 R CB -0.151 30.134 30.300 -0.025 0.000 0.846 246 R HN 0.288 nan 8.270 nan 0.000 0.431 247 R N -0.369 120.112 120.500 -0.033 0.000 2.096 247 R HA -0.066 4.278 4.340 0.006 0.000 0.235 247 R C 2.320 178.684 176.300 0.107 0.000 1.127 247 R CA 1.297 57.367 56.100 -0.051 0.000 0.968 247 R CB -0.313 29.826 30.300 -0.268 0.000 0.861 247 R HN 0.258 nan 8.270 nan 0.000 0.440 248 A N 0.509 123.419 122.820 0.150 0.000 1.930 248 A HA -0.119 4.205 4.320 0.006 0.000 0.217 248 A C 2.118 179.714 177.584 0.020 0.000 1.175 248 A CA 1.721 53.833 52.037 0.125 0.000 0.627 248 A CB -0.624 18.390 19.000 0.022 0.000 0.815 248 A HN 0.253 nan 8.150 nan 0.000 0.443 249 T N 0.132 114.690 114.554 0.007 0.000 2.737 249 T HA -0.112 4.241 4.350 0.006 0.000 0.265 249 T C 1.838 176.539 174.700 0.001 0.000 1.038 249 T CA 1.427 63.521 62.100 -0.011 0.000 1.144 249 T CB -0.375 68.485 68.868 -0.013 0.000 0.866 249 T HN 0.278 nan 8.240 nan 0.000 0.434 250 L N 1.286 122.520 121.223 0.018 0.000 2.012 250 L HA 0.023 4.367 4.340 0.006 0.000 0.210 250 L C 2.236 179.131 176.870 0.042 0.000 1.073 250 L CA 1.535 56.392 54.840 0.027 0.000 0.748 250 L CB -0.997 41.081 42.059 0.031 0.000 0.891 250 L HN 0.232 nan 8.230 nan 0.000 0.431 251 L N -0.438 120.835 121.223 0.082 0.000 2.083 251 L HA -0.096 4.247 4.340 0.006 0.000 0.209 251 L C 2.473 179.342 176.870 -0.002 0.000 1.083 251 L CA 1.946 56.841 54.840 0.091 0.000 0.752 251 L CB -0.846 41.331 42.059 0.197 0.000 0.899 251 L HN 0.277 nan 8.230 nan 0.000 0.433 252 A N 0.051 122.856 122.820 -0.025 0.000 1.859 252 A HA -0.280 4.043 4.320 0.006 0.000 0.217 252 A C 2.403 179.958 177.584 -0.048 0.000 1.198 252 A CA 2.197 54.204 52.037 -0.050 0.000 0.629 252 A CB -0.729 18.236 19.000 -0.058 0.000 0.830 252 A HN 0.526 nan 8.150 nan 0.000 0.446 253 R N -0.632 119.847 120.500 -0.034 0.000 2.096 253 R HA -0.156 4.188 4.340 0.006 0.000 0.240 253 R C 2.094 178.357 176.300 -0.062 0.000 1.139 253 R CA 1.712 57.791 56.100 -0.035 0.000 0.952 253 R CB -0.710 29.579 30.300 -0.019 0.000 0.854 253 R HN 0.567 nan 8.270 nan 0.000 0.436 254 L N 0.722 121.895 121.223 -0.084 0.000 2.191 254 L HA -0.114 4.230 4.340 0.006 0.000 0.212 254 L C 2.069 178.725 176.870 -0.357 0.000 1.103 254 L CA 0.825 55.552 54.840 -0.187 0.000 0.769 254 L CB -0.310 41.655 42.059 -0.157 0.000 0.908 254 L HN 0.170 nan 8.230 nan 0.000 0.438 255 V N -3.575 116.189 119.914 -0.250 0.000 3.542 255 V HA 0.481 4.605 4.120 0.006 0.000 0.296 255 V C 0.903 176.950 176.094 -0.078 0.000 1.364 255 V CA 0.014 62.206 62.300 -0.180 0.000 1.118 255 V CB -0.530 31.232 31.823 -0.102 0.000 0.972 255 V HN 0.393 nan 8.190 nan 0.000 0.430 256 G N -0.321 108.437 108.800 -0.070 0.000 2.587 256 G HA2 -0.173 3.791 3.960 0.006 0.000 0.274 256 G HA3 -0.173 3.791 3.960 0.006 0.000 0.274 256 G C -0.323 174.562 174.900 -0.024 0.000 1.046 256 G CA 0.018 45.097 45.100 -0.036 0.000 1.308 256 G HN 0.789 nan 8.290 nan 0.000 0.529 266 D N 1.464 121.854 120.400 -0.017 0.000 2.183 266 D HA -0.050 4.593 4.640 0.006 0.000 0.203 266 D C 1.450 177.737 176.300 -0.022 0.000 0.969 266 D CA 1.554 55.539 54.000 -0.025 0.000 0.842 266 D CB 0.207 40.991 40.800 -0.026 0.000 0.957 266 D HN 0.566 nan 8.370 nan 0.000 0.484 267 T N 0.770 115.318 114.554 -0.009 0.000 2.720 267 T HA -0.146 4.208 4.350 0.006 0.000 0.268 267 T C 1.813 176.514 174.700 0.001 0.000 1.037 267 T CA 1.147 63.247 62.100 -0.000 0.000 1.144 267 T CB -0.127 68.744 68.868 0.005 0.000 0.864 267 T HN 0.264 nan 8.240 nan 0.000 0.444 268 E N 0.157 120.355 120.200 -0.003 0.000 2.072 268 E HA -0.056 4.298 4.350 0.006 0.000 0.191 268 E C 2.129 178.726 176.600 -0.005 0.000 0.985 268 E CA 0.597 56.996 56.400 -0.001 0.000 0.801 268 E CB -0.185 29.513 29.700 -0.003 0.000 0.750 268 E HN 0.202 nan 8.360 nan 0.000 0.452 269 L N 0.820 122.031 121.223 -0.018 0.000 1.989 269 L HA -0.209 4.135 4.340 0.006 0.000 0.211 269 L C 2.092 178.940 176.870 -0.036 0.000 1.071 269 L CA 1.616 56.436 54.840 -0.034 0.000 0.749 269 L CB -0.216 41.812 42.059 -0.052 0.000 0.890 269 L HN 0.140 nan 8.230 nan 0.000 0.431 270 I N -1.073 119.475 120.570 -0.037 0.000 2.315 270 I HA -0.247 3.926 4.170 0.006 0.000 0.248 270 I C 2.512 178.676 176.117 0.077 0.000 1.117 270 I CA 1.060 62.351 61.300 -0.015 0.000 1.404 270 I CB -0.558 37.432 38.000 -0.017 0.000 1.071 270 I HN 0.291 nan 8.210 nan 0.000 0.419 271 A N -0.375 122.474 122.820 0.049 0.000 1.933 271 A HA -0.269 4.055 4.320 0.006 0.000 0.218 271 A C 2.506 180.119 177.584 0.048 0.000 1.175 271 A CA 1.824 53.892 52.037 0.052 0.000 0.628 271 A CB -1.252 17.766 19.000 0.031 0.000 0.814 271 A HN 0.617 nan 8.150 nan 0.000 0.444 272 c N -0.580 118.039 118.600 0.033 0.000 2.453 272 c HA 0.023 4.597 4.570 0.006 0.000 0.277 272 c C 2.568 176.684 174.090 0.044 0.000 1.262 272 c CA 1.055 57.400 56.329 0.026 0.000 1.718 272 c CB -1.552 40.963 42.510 0.008 0.000 2.031 272 c HN 0.589 nan 8.230 nan 0.000 0.480 273 L N 0.414 121.672 121.223 0.059 0.000 2.081 273 L HA -0.182 4.162 4.340 0.006 0.000 0.212 273 L C 2.929 179.909 176.870 0.183 0.000 1.080 273 L CA 1.744 56.653 54.840 0.115 0.000 0.754 273 L CB -0.616 41.501 42.059 0.096 0.000 0.893 273 L HN 0.374 nan 8.230 nan 0.000 0.433 274 R N -0.724 119.883 120.500 0.178 0.000 2.189 274 R HA -0.118 4.226 4.340 0.006 0.000 0.223 274 R C 2.239 178.558 176.300 0.032 0.000 1.092 274 R CA 1.638 57.789 56.100 0.085 0.000 0.989 274 R CB -0.246 30.096 30.300 0.070 0.000 0.876 274 R HN 0.512 nan 8.270 nan 0.000 0.457 275 T N -1.717 112.860 114.554 0.038 0.000 3.067 275 T HA 0.117 4.471 4.350 0.006 0.000 0.257 275 T C 0.849 175.561 174.700 0.020 0.000 1.105 275 T CA -0.126 61.987 62.100 0.021 0.000 1.104 275 T CB 0.177 69.057 68.868 0.020 0.000 0.925 275 T HN -0.141 nan 8.240 nan 0.000 0.498 276 R N 2.888 123.406 120.500 0.030 0.000 2.543 276 R HA 0.378 4.722 4.340 0.006 0.000 0.277 276 R C -2.637 173.676 176.300 0.022 0.000 1.074 276 R CA -2.368 53.750 56.100 0.030 0.000 1.076 276 R CB -0.194 30.129 30.300 0.038 0.000 0.993 276 R HN 0.292 nan 8.270 nan 0.000 0.459 277 P HA 0.077 nan 4.420 nan 0.000 0.272 277 P C 0.214 177.507 177.300 -0.011 0.000 1.223 277 P CA -0.060 63.035 63.100 -0.008 0.000 0.784 277 P CB 0.594 32.295 31.700 0.002 0.000 0.923 278 A N 1.807 124.562 122.820 -0.109 0.000 1.908 278 A HA -0.278 4.046 4.320 0.006 0.000 0.218 278 A C 2.191 179.743 177.584 -0.054 0.000 1.181 278 A CA 1.987 53.955 52.037 -0.114 0.000 0.627 278 A CB -1.324 17.154 19.000 -0.870 0.000 0.818 278 A HN 0.551 nan 8.150 nan 0.000 0.445 279 Q N -0.010 119.719 119.800 -0.119 0.000 2.124 279 Q HA -0.166 4.178 4.340 0.006 0.000 0.202 279 Q C 1.391 177.496 176.000 0.175 0.000 0.977 279 Q CA 2.011 57.892 55.803 0.131 0.000 0.850 279 Q CB -0.447 28.392 28.738 0.168 0.000 0.901 279 Q HN 0.648 nan 8.270 nan 0.000 0.429 280 D N -0.635 119.848 120.400 0.137 0.000 2.133 280 D HA -0.172 4.472 4.640 0.006 0.000 0.195 280 D C 1.593 178.035 176.300 0.238 0.000 0.997 280 D CA 1.265 55.379 54.000 0.190 0.000 0.840 280 D CB -0.063 40.819 40.800 0.137 0.000 0.947 280 D HN 0.288 nan 8.370 nan 0.000 0.452 281 L N -0.259 121.056 121.223 0.152 0.000 2.044 281 L HA -0.093 4.251 4.340 0.006 0.000 0.205 281 L C 2.431 179.387 176.870 0.142 0.000 1.075 281 L CA 0.565 55.453 54.840 0.079 0.000 0.747 281 L CB -0.608 41.362 42.059 -0.148 0.000 0.903 281 L HN 0.000 nan 8.230 nan 0.000 0.435 282 V N 0.134 120.197 119.914 0.248 0.000 2.332 282 V HA -0.296 3.828 4.120 0.006 0.000 0.248 282 V C 2.114 178.367 176.094 0.265 0.000 1.055 282 V CA 1.892 64.390 62.300 0.330 0.000 1.038 282 V CB -0.598 31.526 31.823 0.502 0.000 0.651 282 V HN 0.431 nan 8.190 nan 0.000 0.450 283 D N -0.727 119.793 120.400 0.201 0.000 2.228 283 D HA -0.168 4.475 4.640 0.006 0.000 0.203 283 D C 1.700 177.865 176.300 -0.224 0.000 0.988 283 D CA 1.572 55.594 54.000 0.036 0.000 0.864 283 D CB -0.188 40.599 40.800 -0.022 0.000 0.928 283 D HN 0.653 nan 8.370 nan 0.000 0.469 284 H N -1.025 118.073 119.070 0.048 0.000 2.893 284 H HA 0.112 4.671 4.556 0.006 0.000 0.270 284 H C 1.569 176.838 175.328 -0.098 0.000 1.095 284 H CA 0.112 56.135 56.048 -0.042 0.000 1.186 284 H CB 0.426 30.277 29.762 0.147 0.000 1.562 284 H HN 0.243 nan 8.280 nan 0.000 0.536 285 E N 0.360 120.560 120.200 -0.000 0.000 2.204 285 E HA -0.210 4.144 4.350 0.006 0.000 0.195 285 E C 0.681 177.068 176.600 -0.355 0.000 0.990 285 E CA 1.086 57.444 56.400 -0.070 0.000 0.821 285 E CB -0.258 29.386 29.700 -0.095 0.000 0.750 285 E HN 0.556 nan 8.360 nan 0.000 0.477 286 W N 0.499 121.696 121.300 -0.171 0.000 2.905 286 W HA 0.068 4.731 4.660 0.006 0.000 0.251 286 W C 1.442 177.929 176.519 -0.053 0.000 1.305 286 W CA 0.080 57.313 57.345 -0.188 0.000 1.465 286 W CB 0.181 29.474 29.460 -0.278 0.000 1.122 286 W HN 0.180 nan 8.180 nan 0.000 0.659 287 H N -0.214 118.970 119.070 0.190 0.000 2.543 287 H HA 0.053 4.612 4.556 0.006 0.000 0.269 287 H C 1.914 177.293 175.328 0.084 0.000 1.005 287 H CA 0.896 57.034 56.048 0.149 0.000 1.146 287 H CB -0.669 29.207 29.762 0.190 0.000 1.353 287 H HN 0.258 nan 8.280 nan 0.000 0.595 288 V N -2.473 117.510 119.914 0.115 0.000 3.578 288 V HA 0.243 4.367 4.120 0.006 0.000 0.290 288 V C 0.699 176.767 176.094 -0.044 0.000 1.376 288 V CA -0.155 62.154 62.300 0.015 0.000 1.083 288 V CB -0.147 31.642 31.823 -0.057 0.000 0.911 288 V HN -0.009 nan 8.190 nan 0.000 0.433 289 L N 2.402 123.617 121.223 -0.013 0.000 2.416 289 L HA 0.306 4.650 4.340 0.006 0.000 0.272 289 L C -0.431 176.438 176.870 -0.001 0.000 1.161 289 L CA -1.121 53.705 54.840 -0.023 0.000 0.845 289 L CB 0.961 43.034 42.059 0.023 0.000 1.119 289 L HN 0.137 nan 8.230 nan 0.000 0.464 290 P HA -0.086 nan 4.420 nan 0.000 0.221 290 P C -0.296 177.006 177.300 0.004 0.000 1.150 290 P CA 1.098 64.193 63.100 -0.008 0.000 0.800 290 P CB 0.431 32.121 31.700 -0.017 0.000 0.787 291 Q N -1.326 118.478 119.800 0.007 0.000 2.495 291 Q HA 0.328 4.671 4.340 0.006 0.000 0.287 291 Q C -0.590 175.422 176.000 0.020 0.000 1.078 291 Q CA -0.778 55.032 55.803 0.013 0.000 0.793 291 Q CB 1.146 29.889 28.738 0.007 0.000 1.459 291 Q HN -0.059 nan 8.270 nan 0.000 0.422 292 E N 1.119 121.331 120.200 0.020 0.000 2.493 292 E HA 0.218 4.572 4.350 0.006 0.000 0.255 292 E C -0.911 175.697 176.600 0.012 0.000 0.999 292 E CA 0.254 56.666 56.400 0.021 0.000 0.934 292 E CB 0.261 29.972 29.700 0.019 0.000 0.940 292 E HN 0.599 nan 8.360 nan 0.000 0.473 293 S N 3.540 119.244 115.700 0.008 0.000 2.625 293 S HA 0.674 5.148 4.470 0.006 0.000 0.271 293 S C -0.485 174.104 174.600 -0.018 0.000 1.161 293 S CA -1.049 57.148 58.200 -0.006 0.000 0.820 293 S CB 0.915 64.106 63.200 -0.015 0.000 1.137 293 S HN 0.507 nan 8.310 nan 0.000 0.470 294 I N -2.963 117.594 120.570 -0.021 0.000 2.892 294 I HA 0.796 4.970 4.170 0.006 0.000 0.306 294 I C -0.229 175.850 176.117 -0.064 0.000 1.078 294 I CA -1.182 60.109 61.300 -0.016 0.000 1.032 294 I CB 1.257 39.296 38.000 0.064 0.000 1.229 294 I HN 0.766 nan 8.210 nan 0.000 0.435 295 F N 1.680 121.410 119.950 -0.368 0.000 3.093 295 F HA -0.187 4.344 4.527 0.006 0.000 0.287 295 F C -0.277 174.935 175.800 -0.981 0.000 0.882 295 F CA 0.628 58.152 58.000 -0.793 0.000 1.063 295 F CB -0.645 37.824 39.000 -0.886 0.000 1.097 295 F HN 0.591 nan 8.300 nan 0.000 0.604 296 R N 0.390 120.439 120.500 -0.752 0.000 2.686 296 R HA 0.675 5.019 4.340 0.006 0.000 0.286 296 R C -0.927 174.965 176.300 -0.680 0.000 0.969 296 R CA -0.552 55.173 56.100 -0.624 0.000 0.898 296 R CB 1.375 31.564 30.300 -0.185 0.000 1.183 296 R HN 0.021 nan 8.270 nan 0.000 0.456 297 F N -0.869 119.206 119.950 0.208 0.000 2.551 297 F HA 0.357 4.888 4.527 0.005 0.000 0.316 297 F C 1.469 177.208 175.800 -0.102 0.000 1.089 297 F CA -0.826 57.244 58.000 0.118 0.000 0.915 297 F CB 1.879 41.059 39.000 0.300 0.000 1.186 297 F HN 0.340 nan 8.300 nan 0.000 0.456 298 S N 0.768 116.330 115.700 -0.230 0.000 2.355 298 S HA 0.021 4.495 4.470 0.006 0.000 0.222 298 S C -0.035 174.116 174.600 -0.749 0.000 1.031 298 S CA 1.164 59.026 58.200 -0.563 0.000 0.993 298 S CB -0.177 62.559 63.200 -0.773 0.000 0.859 298 S HN 0.365 nan 8.310 nan 0.000 0.453 299 F N 1.387 121.331 119.950 -0.009 0.000 2.434 299 F HA 0.537 5.067 4.527 0.006 0.000 0.355 299 F C -0.045 175.749 175.800 -0.011 0.000 1.115 299 F CA -0.983 57.045 58.000 0.046 0.000 1.010 299 F CB 1.309 40.372 39.000 0.106 0.000 1.234 299 F HN -0.106 nan 8.300 nan 0.000 0.439 300 V N 0.742 120.613 119.914 -0.072 0.000 3.158 300 V HA 0.769 4.893 4.120 0.006 0.000 0.311 300 V C -2.911 172.791 176.094 -0.653 0.000 1.181 300 V CA -3.385 58.537 62.300 -0.629 0.000 1.054 300 V CB 2.050 33.704 31.823 -0.282 0.000 1.085 300 V HN 0.266 nan 8.190 nan 0.000 0.446 301 P HA 0.127 nan 4.420 nan 0.000 0.263 301 P C -0.693 176.468 177.300 -0.232 0.000 1.175 301 P CA 0.552 63.364 63.100 -0.480 0.000 0.761 301 P CB 0.524 31.867 31.700 -0.595 0.000 0.794 302 V N 5.231 125.088 119.914 -0.096 0.000 2.547 302 V HA 0.217 4.341 4.120 0.006 0.000 0.299 302 V C -0.208 175.867 176.094 -0.031 0.000 1.040 302 V CA -0.830 61.441 62.300 -0.050 0.000 0.913 302 V CB 2.009 33.833 31.823 0.001 0.000 0.992 302 V HN 0.134 nan 8.190 nan 0.000 0.449 303 V N 7.447 127.345 119.914 -0.026 0.000 2.302 303 V HA 0.143 4.266 4.120 0.006 0.000 0.244 303 V C 0.915 177.017 176.094 0.013 0.000 1.160 303 V CA 0.349 62.647 62.300 -0.003 0.000 1.127 303 V CB -0.066 31.748 31.823 -0.015 0.000 1.253 303 V HN 1.058 nan 8.190 nan 0.000 0.496 304 D N 2.655 123.076 120.400 0.035 0.000 2.348 304 D HA 0.079 4.723 4.640 0.006 0.000 0.211 304 D C 1.557 177.881 176.300 0.039 0.000 0.998 304 D CA 0.758 54.782 54.000 0.039 0.000 0.873 304 D CB 0.244 41.078 40.800 0.057 0.000 0.925 304 D HN 0.676 nan 8.370 nan 0.000 0.524 305 G N 0.757 109.583 108.800 0.042 0.000 2.160 305 G HA2 -0.306 3.658 3.960 0.006 0.000 0.251 305 G HA3 -0.306 3.658 3.960 0.006 0.000 0.251 305 G C 0.275 175.199 174.900 0.040 0.000 1.008 305 G CA 0.745 45.865 45.100 0.033 0.000 0.724 305 G HN 0.558 nan 8.290 nan 0.000 0.514 306 D N -1.712 118.728 120.400 0.067 0.000 2.973 306 D HA 0.218 4.862 4.640 0.006 0.000 0.187 306 D C 1.698 178.053 176.300 0.093 0.000 1.467 306 D CA 0.385 54.428 54.000 0.072 0.000 1.515 306 D CB -0.667 40.183 40.800 0.085 0.000 1.182 306 D HN 0.080 nan 8.370 nan 0.000 0.213 307 F N 1.240 121.200 119.950 0.017 0.000 2.091 307 F HA 0.140 4.670 4.527 0.006 0.000 0.299 307 F C 0.611 176.415 175.800 0.007 0.000 1.103 307 F CA 1.300 59.311 58.000 0.017 0.000 1.228 307 F CB 0.140 39.148 39.000 0.013 0.000 0.984 307 F HN 0.001 nan 8.300 nan 0.000 0.477 308 L N 0.739 122.131 121.223 0.281 0.000 2.295 308 L HA 0.191 4.535 4.340 0.006 0.000 0.281 308 L C 1.276 178.193 176.870 0.078 0.000 1.018 308 L CA -0.189 54.748 54.840 0.162 0.000 0.841 308 L CB 1.410 43.557 42.059 0.147 0.000 1.218 308 L HN 0.077 nan 8.230 nan 0.000 0.424 309 S N 0.406 116.131 115.700 0.042 0.000 2.453 309 S HA 0.015 4.489 4.470 0.006 0.000 0.231 309 S C 0.448 175.059 174.600 0.018 0.000 1.005 309 S CA 0.382 58.596 58.200 0.023 0.000 0.949 309 S CB 0.207 63.410 63.200 0.005 0.000 0.774 309 S HN 0.690 nan 8.310 nan 0.000 0.510 310 D N 0.295 120.707 120.400 0.021 0.000 2.759 310 D HA 0.287 4.931 4.640 0.006 0.000 0.321 310 D C -0.906 175.400 176.300 0.010 0.000 1.267 310 D CA -0.006 54.001 54.000 0.012 0.000 0.933 310 D CB 1.412 42.217 40.800 0.009 0.000 1.431 310 D HN 0.203 nan 8.370 nan 0.000 0.504 311 T N -0.661 113.891 114.554 -0.002 0.000 2.940 311 T HA 0.225 4.578 4.350 0.006 0.000 0.309 311 T C -1.787 172.907 174.700 -0.009 0.000 1.056 311 T CA -0.661 61.430 62.100 -0.015 0.000 1.137 311 T CB 1.049 69.902 68.868 -0.025 0.000 0.976 311 T HN 0.096 nan 8.240 nan 0.000 0.547 312 P HA -0.135 nan 4.420 nan 0.000 0.216 312 P C 1.355 178.646 177.300 -0.014 0.000 1.154 312 P CA 1.262 64.348 63.100 -0.024 0.000 0.865 312 P CB 0.055 31.711 31.700 -0.074 0.000 0.789 313 E N -0.620 119.562 120.200 -0.031 0.000 2.085 313 E HA -0.168 4.186 4.350 0.006 0.000 0.194 313 E C 2.137 178.743 176.600 0.009 0.000 0.994 313 E CA 1.656 58.045 56.400 -0.018 0.000 0.801 313 E CB -1.014 28.668 29.700 -0.031 0.000 0.743 313 E HN 0.169 nan 8.360 nan 0.000 0.453 314 A N 0.424 123.250 122.820 0.009 0.000 1.898 314 A HA -0.117 4.207 4.320 0.006 0.000 0.216 314 A C 2.150 179.759 177.584 0.042 0.000 1.181 314 A CA 1.055 53.104 52.037 0.019 0.000 0.620 314 A CB -0.565 18.441 19.000 0.009 0.000 0.819 314 A HN 0.190 nan 8.150 nan 0.000 0.442 315 L N -0.092 121.165 121.223 0.055 0.000 2.217 315 L HA -0.098 4.245 4.340 0.006 0.000 0.211 315 L C 2.446 179.435 176.870 0.199 0.000 1.107 315 L CA 1.275 56.174 54.840 0.098 0.000 0.783 315 L CB -0.539 41.579 42.059 0.098 0.000 0.919 315 L HN 0.667 nan 8.230 nan 0.000 0.442 316 I N -3.713 116.959 120.570 0.170 0.000 2.716 316 I HA -0.086 4.088 4.170 0.006 0.000 0.259 316 I C 1.647 177.903 176.117 0.230 0.000 1.172 316 I CA 1.162 62.602 61.300 0.233 0.000 1.478 316 I CB -0.410 37.623 38.000 0.054 0.000 1.104 316 I HN 0.176 nan 8.210 nan 0.000 0.439 317 N N 0.850 119.626 118.700 0.128 0.000 2.457 317 N HA -0.060 4.684 4.740 0.006 0.000 0.180 317 N C 1.115 176.671 175.510 0.076 0.000 1.050 317 N CA 1.346 54.451 53.050 0.091 0.000 0.906 317 N CB 0.204 38.722 38.487 0.051 0.000 0.968 317 N HN 0.592 nan 8.380 nan 0.000 0.445 318 T N -3.378 111.216 114.554 0.067 0.000 3.192 318 T HA 0.244 4.597 4.350 0.006 0.000 0.295 318 T C 0.529 175.188 174.700 -0.069 0.000 0.947 318 T CA -0.666 61.437 62.100 0.005 0.000 0.916 318 T CB 0.354 69.220 68.868 -0.004 0.000 1.169 318 T HN 0.003 nan 8.240 nan 0.000 0.540 319 G N 0.529 109.268 108.800 -0.103 0.000 2.507 319 G HA2 0.476 4.440 3.960 0.006 0.000 0.271 319 G HA3 0.476 4.440 3.960 0.006 0.000 0.271 319 G C -1.186 173.249 174.900 -0.776 0.000 1.189 319 G CA -0.432 44.358 45.100 -0.516 0.000 0.859 319 G HN 0.280 nan 8.290 nan 0.000 0.542 320 D N -0.056 119.845 120.400 -0.832 0.000 2.373 320 D HA 0.380 5.024 4.640 0.006 0.000 0.227 320 D C -0.587 175.282 176.300 -0.718 0.000 1.091 320 D CA -0.610 53.050 54.000 -0.566 0.000 0.840 320 D CB 0.605 41.232 40.800 -0.289 0.000 1.060 320 D HN 0.084 nan 8.370 nan 0.000 0.502 321 F N 2.238 122.195 119.950 0.012 0.000 2.881 321 F HA 0.259 4.789 4.527 0.006 0.000 0.343 321 F C 1.896 177.707 175.800 0.019 0.000 1.233 321 F CA -0.463 57.549 58.000 0.019 0.000 1.262 321 F CB 0.169 39.189 39.000 0.034 0.000 0.980 321 F HN 0.372 nan 8.300 nan 0.000 0.506 322 Q N 1.168 121.023 119.800 0.091 0.000 2.061 322 Q HA -0.202 4.142 4.340 0.006 0.000 0.204 322 Q C 1.650 177.693 176.000 0.071 0.000 0.984 322 Q CA 2.121 57.962 55.803 0.064 0.000 0.846 322 Q CB 0.051 28.798 28.738 0.016 0.000 0.902 322 Q HN 0.489 nan 8.270 nan 0.000 0.421 323 D N -0.617 119.822 120.400 0.064 0.000 2.340 323 D HA -0.039 4.605 4.640 0.006 0.000 0.220 323 D C 0.021 176.364 176.300 0.072 0.000 1.039 323 D CA -0.033 53.997 54.000 0.050 0.000 0.866 323 D CB 0.011 40.824 40.800 0.020 0.000 0.913 323 D HN 0.114 nan 8.370 nan 0.000 0.523 324 L N 0.895 122.190 121.223 0.120 0.000 2.307 324 L HA 0.341 4.685 4.340 0.006 0.000 0.282 324 L C -0.800 176.159 176.870 0.149 0.000 1.051 324 L CA -0.271 54.654 54.840 0.141 0.000 0.804 324 L CB 1.646 43.822 42.059 0.195 0.000 1.197 324 L HN -0.228 nan 8.230 nan 0.000 0.431 325 Q N 3.532 123.438 119.800 0.176 0.000 2.331 325 Q HA 0.716 5.059 4.340 0.006 0.000 0.267 325 Q C -1.434 174.845 176.000 0.465 0.000 1.006 325 Q CA -0.421 55.548 55.803 0.277 0.000 0.818 325 Q CB 2.402 31.253 28.738 0.189 0.000 1.276 325 Q HN 0.452 nan 8.270 nan 0.000 0.450 326 V N 2.446 122.597 119.914 0.395 0.000 2.638 326 V HA 0.514 4.638 4.120 0.006 0.000 0.306 326 V C -1.259 174.779 176.094 -0.094 0.000 1.052 326 V CA -0.946 61.479 62.300 0.208 0.000 0.885 326 V CB 1.783 33.650 31.823 0.073 0.000 0.999 326 V HN 0.613 nan 8.190 nan 0.000 0.424 327 L N 6.427 127.353 121.223 -0.494 0.000 2.296 327 L HA 0.907 5.251 4.340 0.006 0.000 0.286 327 L C -0.411 176.352 176.870 -0.177 0.000 1.023 327 L CA -0.135 54.356 54.840 -0.581 0.000 0.812 327 L CB 1.639 42.909 42.059 -1.315 0.000 1.223 327 L HN 0.702 nan 8.230 nan 0.000 0.421 328 V N 2.273 122.170 119.914 -0.027 0.000 2.925 328 V HA 1.121 5.245 4.120 0.006 0.000 0.311 328 V C -0.354 175.599 176.094 -0.235 0.000 1.104 328 V CA 0.351 62.623 62.300 -0.047 0.000 0.954 328 V CB 1.224 32.978 31.823 -0.114 0.000 1.022 328 V HN 1.123 nan 8.190 nan 0.000 0.427 329 G N 1.449 109.959 108.800 -0.484 0.000 2.430 329 G HA2 0.785 4.749 3.960 0.006 0.000 0.300 329 G HA3 0.785 4.749 3.960 0.006 0.000 0.300 329 G C -1.174 173.382 174.900 -0.574 0.000 1.330 329 G CA 0.115 44.545 45.100 -1.117 0.000 0.813 329 G HN 2.144 nan 8.290 nan 0.000 0.487 330 V N -2.357 117.311 119.914 -0.410 0.000 3.159 330 V HA 0.913 5.037 4.120 0.006 0.000 0.308 330 V C 0.294 176.522 176.094 0.224 0.000 1.190 330 V CA -0.354 61.944 62.300 -0.003 0.000 1.037 330 V CB 1.093 32.909 31.823 -0.011 0.000 1.060 330 V HN 1.900 nan 8.190 nan 0.000 0.437 331 V N -0.153 119.929 119.914 0.281 0.000 3.262 331 V HA 0.563 4.687 4.120 0.006 0.000 0.313 331 V C 1.394 177.660 176.094 0.286 0.000 1.070 331 V CA 0.048 62.574 62.300 0.375 0.000 1.049 331 V CB 1.184 33.225 31.823 0.364 0.000 1.157 331 V HN 1.083 nan 8.190 nan 0.000 0.454 332 K N -0.413 120.158 120.400 0.284 0.000 2.097 332 K HA -0.036 4.287 4.320 0.006 0.000 0.205 332 K C 0.277 176.993 176.600 0.194 0.000 1.050 332 K CA 1.684 58.097 56.287 0.210 0.000 0.938 332 K CB 0.078 32.682 32.500 0.172 0.000 0.718 332 K HN 0.896 nan 8.250 nan 0.000 0.442 333 D N 1.210 121.734 120.400 0.206 0.000 2.502 333 D HA 0.034 4.678 4.640 0.006 0.000 0.301 333 D C 0.099 176.532 176.300 0.222 0.000 1.202 333 D CA -0.077 54.038 54.000 0.192 0.000 0.878 333 D CB 1.396 42.289 40.800 0.157 0.000 1.062 333 D HN 0.114 nan 8.370 nan 0.000 0.499 334 E N 0.614 120.956 120.200 0.236 0.000 2.160 334 E HA -0.117 4.237 4.350 0.006 0.000 0.195 334 E C 1.929 178.726 176.600 0.327 0.000 0.991 334 E CA 0.734 57.314 56.400 0.300 0.000 0.810 334 E CB 0.185 30.031 29.700 0.243 0.000 0.742 334 E HN 0.459 nan 8.360 nan 0.000 0.466 335 G N 0.845 109.797 108.800 0.253 0.000 2.662 335 G HA2 -0.146 3.817 3.960 0.006 0.000 0.212 335 G HA3 -0.146 3.817 3.960 0.006 0.000 0.212 335 G C 1.691 176.771 174.900 0.300 0.000 1.141 335 G CA 0.738 46.006 45.100 0.279 0.000 0.797 335 G HN 0.356 nan 8.290 nan 0.000 0.531 336 S N 0.269 116.097 115.700 0.213 0.000 2.374 336 S HA -0.297 4.177 4.470 0.006 0.000 0.227 336 S C 2.122 176.734 174.600 0.019 0.000 1.037 336 S CA 1.522 59.804 58.200 0.137 0.000 1.024 336 S CB -0.833 62.369 63.200 0.004 0.000 0.861 336 S HN 0.453 nan 8.310 nan 0.000 0.456 337 Y N 1.711 121.882 120.300 -0.215 0.000 2.151 337 Y HA -0.167 4.386 4.550 0.006 0.000 0.284 337 Y C 1.839 177.547 175.900 -0.319 0.000 1.166 337 Y CA 1.949 59.759 58.100 -0.485 0.000 1.163 337 Y CB -0.595 37.465 38.460 -0.668 0.000 0.974 337 Y HN 0.289 nan 8.280 nan 0.000 0.511 338 F N -0.371 119.642 119.950 0.104 0.000 2.365 338 F HA -0.164 4.367 4.527 0.006 0.000 0.300 338 F C 1.944 177.765 175.800 0.035 0.000 1.090 338 F CA 0.864 58.896 58.000 0.054 0.000 1.408 338 F CB -0.423 38.563 39.000 -0.024 0.000 1.060 338 F HN 0.052 nan 8.300 nan 0.000 0.534 339 L N -0.203 121.083 121.223 0.106 0.000 2.217 339 L HA -0.099 4.245 4.340 0.006 0.000 0.211 339 L C 2.309 179.207 176.870 0.048 0.000 1.107 339 L CA 0.788 55.572 54.840 -0.094 0.000 0.783 339 L CB -0.741 41.014 42.059 -0.507 0.000 0.919 339 L HN 0.171 nan 8.230 nan 0.000 0.442 340 V N -4.959 115.035 119.914 0.133 0.000 3.461 340 V HA -0.119 4.005 4.120 0.006 0.000 0.267 340 V C 1.195 177.239 176.094 -0.083 0.000 1.186 340 V CA 0.625 62.997 62.300 0.119 0.000 1.154 340 V CB -0.984 30.938 31.823 0.164 0.000 0.802 340 V HN 0.283 nan 8.190 nan 0.000 0.474 341 Y N 1.854 122.145 120.300 -0.016 0.000 2.718 341 Y HA 0.681 5.234 4.550 0.006 0.000 0.322 341 Y C 1.599 177.466 175.900 -0.055 0.000 1.122 341 Y CA 0.269 58.331 58.100 -0.063 0.000 1.348 341 Y CB 0.538 38.932 38.460 -0.110 0.000 1.174 341 Y HN 0.403 nan 8.280 nan 0.000 0.523 342 G N -1.312 107.538 108.800 0.084 0.000 3.732 342 G HA2 -0.076 3.887 3.960 0.006 0.000 0.220 342 G HA3 -0.076 3.887 3.960 0.006 0.000 0.220 342 G C -0.810 174.131 174.900 0.069 0.000 0.903 342 G CA -0.499 44.635 45.100 0.057 0.000 0.896 342 G HN -0.018 nan 8.290 nan 0.000 0.685 343 V N 2.818 122.794 119.914 0.104 0.000 2.350 343 V HA 0.465 4.589 4.120 0.006 0.000 0.276 343 V C -1.982 174.265 176.094 0.255 0.000 1.028 343 V CA -1.708 60.687 62.300 0.158 0.000 0.860 343 V CB 1.433 33.327 31.823 0.118 0.000 0.990 343 V HN 0.085 nan 8.190 nan 0.000 0.453 344 P HA 0.364 nan 4.420 nan 0.000 0.271 344 P C 0.958 178.316 177.300 0.097 0.000 1.216 344 P CA 0.873 64.040 63.100 0.110 0.000 0.776 344 P CB 0.962 32.696 31.700 0.056 0.000 0.881 345 G N 1.059 109.854 108.800 -0.009 0.000 2.307 345 G HA2 -0.188 3.775 3.960 0.006 0.000 0.210 345 G HA3 -0.188 3.775 3.960 0.006 0.000 0.210 345 G C -0.239 174.426 174.900 -0.392 0.000 1.005 345 G CA -0.583 44.376 45.100 -0.234 0.000 0.634 345 G HN 0.399 nan 8.290 nan 0.000 0.496 346 F N 1.712 121.638 119.950 -0.039 0.000 2.399 346 F HA 0.806 5.337 4.527 0.006 0.000 0.334 346 F C 0.658 176.500 175.800 0.069 0.000 1.097 346 F CA 0.013 57.996 58.000 -0.028 0.000 1.076 346 F CB 2.183 41.207 39.000 0.041 0.000 1.162 346 F HN 0.173 nan 8.300 nan 0.000 0.495 347 S N 1.133 117.018 115.700 0.307 0.000 2.570 347 S HA 0.294 4.767 4.470 0.006 0.000 0.270 347 S C 0.200 175.068 174.600 0.448 0.000 1.149 347 S CA -0.865 57.524 58.200 0.314 0.000 0.837 347 S CB 1.443 64.740 63.200 0.160 0.000 1.124 347 S HN 0.749 nan 8.310 nan 0.000 0.465 348 K N 0.714 121.271 120.400 0.262 0.000 2.418 348 K HA 0.184 4.507 4.320 0.006 0.000 0.195 348 K C 0.017 176.631 176.600 0.023 0.000 1.035 348 K CA 0.929 57.287 56.287 0.117 0.000 1.003 348 K CB -0.041 32.256 32.500 -0.338 0.000 0.793 348 K HN 0.396 nan 8.250 nan 0.000 0.494 349 D N 0.930 121.335 120.400 0.008 0.000 2.349 349 D HA 0.019 4.662 4.640 0.006 0.000 0.214 349 D C -0.340 175.977 176.300 0.029 0.000 1.063 349 D CA 0.253 54.230 54.000 -0.038 0.000 0.847 349 D CB 0.179 40.936 40.800 -0.071 0.000 0.933 349 D HN 0.466 nan 8.370 nan 0.000 0.513 350 N N -0.898 117.855 118.700 0.089 0.000 2.774 350 N HA 0.081 4.825 4.740 0.006 0.000 0.264 350 N C 0.435 175.978 175.510 0.055 0.000 1.415 350 N CA -0.486 52.593 53.050 0.048 0.000 0.815 350 N CB 0.933 39.407 38.487 -0.023 0.000 1.514 350 N HN -0.444 nan 8.380 nan 0.000 0.523 351 E N -0.301 119.871 120.200 -0.046 0.000 2.472 351 E HA -0.029 4.324 4.350 0.006 0.000 0.200 351 E C -0.337 175.910 176.600 -0.588 0.000 1.046 351 E CA 0.699 56.996 56.400 -0.171 0.000 0.871 351 E CB -0.828 28.815 29.700 -0.095 0.000 0.806 351 E HN 0.625 nan 8.360 nan 0.000 0.533 352 S N -0.117 115.268 115.700 -0.525 0.000 3.614 352 S HA -0.210 4.264 4.470 0.006 0.000 0.360 352 S C 0.325 174.504 174.600 -0.701 0.000 1.023 352 S CA 0.192 57.961 58.200 -0.719 0.000 1.114 352 S CB -2.100 60.476 63.200 -1.040 0.000 0.907 352 S HN 0.298 nan 8.310 nan 0.000 0.470 353 L N 1.669 122.629 121.223 -0.439 0.000 2.433 353 L HA 0.422 4.766 4.340 0.006 0.000 0.275 353 L C 0.764 177.433 176.870 -0.335 0.000 1.128 353 L CA -0.128 54.514 54.840 -0.330 0.000 0.875 353 L CB 0.086 42.022 42.059 -0.205 0.000 1.171 353 L HN 0.470 nan 8.230 nan 0.000 0.463 354 I N 0.238 120.600 120.570 -0.347 0.000 2.947 354 I HA 0.675 4.849 4.170 0.006 0.000 0.314 354 I C 0.502 176.525 176.117 -0.156 0.000 1.028 354 I CA -0.615 60.504 61.300 -0.301 0.000 1.077 354 I CB 1.906 39.670 38.000 -0.392 0.000 1.274 354 I HN 0.533 nan 8.210 nan 0.000 0.485 355 S N 1.983 117.624 115.700 -0.098 0.000 2.707 355 S HA 0.416 4.890 4.470 0.006 0.000 0.276 355 S C 0.896 175.504 174.600 0.014 0.000 1.179 355 S CA -0.547 57.626 58.200 -0.044 0.000 0.992 355 S CB 1.615 64.797 63.200 -0.030 0.000 1.030 355 S HN 0.859 nan 8.310 nan 0.000 0.554 356 R N 0.285 120.799 120.500 0.023 0.000 2.096 356 R HA -0.038 4.306 4.340 0.006 0.000 0.235 356 R C 2.319 178.706 176.300 0.146 0.000 1.127 356 R CA 1.564 57.713 56.100 0.082 0.000 0.968 356 R CB -1.113 29.213 30.300 0.044 0.000 0.861 356 R HN 0.823 nan 8.270 nan 0.000 0.440 357 A N 0.623 123.494 122.820 0.085 0.000 1.877 357 A HA -0.221 4.102 4.320 0.006 0.000 0.216 357 A C 2.025 179.658 177.584 0.081 0.000 1.186 357 A CA 1.600 53.682 52.037 0.075 0.000 0.620 357 A CB -0.536 18.489 19.000 0.042 0.000 0.822 357 A HN 0.520 nan 8.150 nan 0.000 0.443 358 Q N -1.952 117.893 119.800 0.074 0.000 2.226 358 Q HA -0.126 4.218 4.340 0.006 0.000 0.204 358 Q C 1.814 177.908 176.000 0.158 0.000 0.975 358 Q CA 1.383 57.232 55.803 0.077 0.000 0.866 358 Q CB -0.274 28.471 28.738 0.011 0.000 0.915 358 Q HN 0.808 nan 8.270 nan 0.000 0.440 359 F N 1.108 121.076 119.950 0.029 0.000 2.098 359 F HA -0.153 4.377 4.527 0.006 0.000 0.294 359 F C 1.762 177.591 175.800 0.048 0.000 1.107 359 F CA 1.043 59.072 58.000 0.049 0.000 1.234 359 F CB 0.028 39.035 39.000 0.012 0.000 1.002 359 F HN -0.070 nan 8.300 nan 0.000 0.472 360 L N 0.290 121.503 121.223 -0.015 0.000 2.079 360 L HA -0.203 4.141 4.340 0.006 0.000 0.210 360 L C 2.784 179.593 176.870 -0.102 0.000 1.081 360 L CA 1.142 55.915 54.840 -0.111 0.000 0.752 360 L CB -1.514 40.564 42.059 0.031 0.000 0.896 360 L HN 0.278 nan 8.230 nan 0.000 0.433 361 A N 0.666 123.466 122.820 -0.034 0.000 1.930 361 A HA -0.052 4.272 4.320 0.006 0.000 0.217 361 A C 2.445 180.011 177.584 -0.031 0.000 1.175 361 A CA 1.519 53.547 52.037 -0.015 0.000 0.627 361 A CB -1.120 17.891 19.000 0.019 0.000 0.815 361 A HN 0.422 nan 8.150 nan 0.000 0.443 362 G N -0.590 108.190 108.800 -0.032 0.000 2.422 362 G HA2 -0.083 3.881 3.960 0.006 0.000 0.218 362 G HA3 -0.083 3.881 3.960 0.006 0.000 0.218 362 G C 1.461 176.286 174.900 -0.125 0.000 1.146 362 G CA 1.174 46.258 45.100 -0.027 0.000 0.769 362 G HN 0.302 nan 8.290 nan 0.000 0.547 363 V N 0.918 120.679 119.914 -0.255 0.000 2.427 363 V HA -0.124 4.000 4.120 0.006 0.000 0.248 363 V C 2.977 179.004 176.094 -0.113 0.000 1.051 363 V CA 1.556 63.709 62.300 -0.244 0.000 1.048 363 V CB -0.362 31.244 31.823 -0.361 0.000 0.666 363 V HN 0.210 nan 8.190 nan 0.000 0.456 364 R N 0.006 120.456 120.500 -0.083 0.000 2.096 364 R HA 0.003 4.347 4.340 0.006 0.000 0.235 364 R C 2.051 178.336 176.300 -0.024 0.000 1.127 364 R CA 1.446 57.523 56.100 -0.038 0.000 0.968 364 R CB -0.854 29.432 30.300 -0.023 0.000 0.861 364 R HN 0.479 nan 8.270 nan 0.000 0.440 365 I N -0.505 120.050 120.570 -0.024 0.000 2.406 365 I HA -0.067 4.106 4.170 0.006 0.000 0.249 365 I C 2.248 178.358 176.117 -0.012 0.000 1.122 365 I CA 1.358 62.652 61.300 -0.010 0.000 1.431 365 I CB -0.463 37.538 38.000 0.001 0.000 1.087 365 I HN 0.192 nan 8.210 nan 0.000 0.424 366 G N 0.347 109.131 108.800 -0.028 0.000 2.464 366 G HA2 -0.008 3.956 3.960 0.006 0.000 0.217 366 G HA3 -0.008 3.956 3.960 0.006 0.000 0.217 366 G C 0.861 175.765 174.900 0.007 0.000 1.138 366 G CA 0.287 45.373 45.100 -0.022 0.000 0.793 366 G HN 0.231 nan 8.290 nan 0.000 0.539 367 V N 2.274 122.180 119.914 -0.013 0.000 2.326 367 V HA 0.213 4.336 4.120 0.006 0.000 0.254 367 V C -1.369 174.730 176.094 0.008 0.000 1.022 367 V CA -1.118 61.169 62.300 -0.022 0.000 1.074 367 V CB 1.303 33.093 31.823 -0.055 0.000 1.305 367 V HN 0.086 nan 8.190 nan 0.000 0.506 368 P HA -0.191 nan 4.420 nan 0.000 0.222 368 P C 1.343 178.654 177.300 0.018 0.000 1.147 368 P CA 1.131 64.240 63.100 0.016 0.000 0.790 368 P CB 0.379 32.087 31.700 0.013 0.000 0.780 369 Q N -0.007 119.813 119.800 0.033 0.000 2.403 369 Q HA 0.130 4.474 4.340 0.006 0.000 0.203 369 Q C 0.517 176.524 176.000 0.012 0.000 0.932 369 Q CA 0.099 55.917 55.803 0.024 0.000 0.945 369 Q CB -0.510 28.251 28.738 0.038 0.000 1.045 369 Q HN 0.036 nan 8.270 nan 0.000 0.511 370 A N 2.033 124.858 122.820 0.008 0.000 2.401 370 A HA 0.414 4.738 4.320 0.006 0.000 0.259 370 A C 0.607 178.189 177.584 -0.003 0.000 1.103 370 A CA 0.128 52.163 52.037 -0.002 0.000 0.789 370 A CB 0.382 19.382 19.000 0.001 0.000 1.035 370 A HN 0.557 nan 8.150 nan 0.000 0.491 371 S N 1.680 117.374 115.700 -0.010 0.000 2.632 371 S HA 0.075 4.549 4.470 0.006 0.000 0.254 371 S C 0.464 175.067 174.600 0.005 0.000 1.291 371 S CA 0.704 58.900 58.200 -0.006 0.000 0.974 371 S CB 0.100 63.291 63.200 -0.014 0.000 1.016 371 S HN 0.618 nan 8.310 nan 0.000 0.579 372 D N -0.125 120.281 120.400 0.010 0.000 2.123 372 D HA 0.031 4.674 4.640 0.006 0.000 0.200 372 D C 1.797 178.118 176.300 0.034 0.000 0.976 372 D CA 0.633 54.645 54.000 0.021 0.000 0.831 372 D CB -0.481 40.331 40.800 0.021 0.000 0.974 372 D HN 0.333 nan 8.370 nan 0.000 0.469 373 L N 1.082 122.323 121.223 0.031 0.000 1.970 373 L HA -0.105 4.239 4.340 0.006 0.000 0.212 373 L C 2.108 179.021 176.870 0.071 0.000 1.071 373 L CA 1.962 56.831 54.840 0.049 0.000 0.751 373 L CB -1.080 40.999 42.059 0.035 0.000 0.889 373 L HN 0.015 nan 8.230 nan 0.000 0.432 374 A N -0.641 122.202 122.820 0.038 0.000 1.908 374 A HA -0.192 4.131 4.320 0.006 0.000 0.218 374 A C 2.447 180.083 177.584 0.086 0.000 1.181 374 A CA 2.228 54.292 52.037 0.045 0.000 0.627 374 A CB -1.268 17.715 19.000 -0.028 0.000 0.818 374 A HN 0.612 nan 8.150 nan 0.000 0.445 375 A N -0.560 122.293 122.820 0.055 0.000 1.883 375 A HA -0.193 4.130 4.320 0.006 0.000 0.217 375 A C 2.000 179.632 177.584 0.080 0.000 1.186 375 A CA 2.244 54.310 52.037 0.048 0.000 0.624 375 A CB -0.516 18.496 19.000 0.019 0.000 0.822 375 A HN 0.487 nan 8.150 nan 0.000 0.444 376 E N 0.154 120.413 120.200 0.097 0.000 2.110 376 E HA -0.060 4.294 4.350 0.006 0.000 0.193 376 E C 2.086 178.791 176.600 0.176 0.000 0.988 376 E CA 1.450 57.928 56.400 0.130 0.000 0.804 376 E CB -0.548 29.221 29.700 0.115 0.000 0.745 376 E HN 0.476 nan 8.360 nan 0.000 0.458 377 A N 0.015 122.957 122.820 0.202 0.000 1.883 377 A HA -0.174 4.150 4.320 0.006 0.000 0.217 377 A C 2.533 180.231 177.584 0.189 0.000 1.186 377 A CA 1.805 54.010 52.037 0.278 0.000 0.624 377 A CB -0.904 18.377 19.000 0.468 0.000 0.822 377 A HN 0.181 nan 8.150 nan 0.000 0.444 378 V N -0.465 119.576 119.914 0.211 0.000 2.287 378 V HA -0.260 3.864 4.120 0.006 0.000 0.248 378 V C 2.564 178.794 176.094 0.227 0.000 1.053 378 V CA 2.121 64.486 62.300 0.107 0.000 1.027 378 V CB -0.862 31.034 31.823 0.122 0.000 0.646 378 V HN 0.374 nan 8.190 nan 0.000 0.447 379 V N -0.305 119.736 119.914 0.212 0.000 2.343 379 V HA -0.233 3.891 4.120 0.006 0.000 0.247 379 V C 2.254 178.584 176.094 0.393 0.000 1.051 379 V CA 1.968 64.466 62.300 0.330 0.000 1.036 379 V CB -0.462 31.508 31.823 0.245 0.000 0.654 379 V HN 0.455 nan 8.190 nan 0.000 0.451 380 L N -0.776 120.661 121.223 0.357 0.000 2.093 380 L HA -0.185 4.159 4.340 0.006 0.000 0.208 380 L C 2.526 179.633 176.870 0.395 0.000 1.085 380 L CA 1.954 57.088 54.840 0.489 0.000 0.755 380 L CB -0.808 41.458 42.059 0.346 0.000 0.904 380 L HN 0.428 nan 8.230 nan 0.000 0.435 381 H N -0.838 118.256 119.070 0.040 0.000 2.353 381 H HA -0.189 4.369 4.556 0.005 0.000 0.300 381 H C 1.836 177.085 175.328 -0.131 0.000 1.090 381 H CA 1.905 57.838 56.048 -0.193 0.000 1.327 381 H CB 0.063 29.387 29.762 -0.730 0.000 1.383 381 H HN 0.242 nan 8.280 nan 0.000 0.508 382 Y N -0.158 120.224 120.300 0.137 0.000 2.510 382 Y HA 0.117 4.672 4.550 0.008 0.000 0.273 382 Y C 0.832 176.770 175.900 0.062 0.000 1.119 382 Y CA 0.391 58.588 58.100 0.162 0.000 1.286 382 Y CB 0.246 38.906 38.460 0.334 0.000 1.061 382 Y HN 0.035 nan 8.280 nan 0.000 0.542 383 T N 1.516 116.096 114.554 0.043 0.000 2.888 383 T HA -0.060 4.294 4.350 0.006 0.000 0.301 383 T C -0.238 174.190 174.700 -0.453 0.000 1.001 383 T CA -0.164 61.709 62.100 -0.379 0.000 1.147 383 T CB 0.216 68.452 68.868 -1.053 0.000 0.931 383 T HN 0.066 nan 8.240 nan 0.000 0.541 384 D N 2.278 122.442 120.400 -0.393 0.000 2.393 384 D HA 0.101 4.745 4.640 0.006 0.000 0.232 384 D C 0.134 176.184 176.300 -0.417 0.000 1.192 384 D CA -0.751 52.962 54.000 -0.478 0.000 0.882 384 D CB 0.265 40.568 40.800 -0.828 0.000 1.038 384 D HN 0.603 nan 8.370 nan 0.000 0.499 385 W N 3.236 124.478 121.300 -0.097 0.000 2.721 385 W HA 0.030 4.693 4.660 0.004 0.000 0.245 385 W C 1.976 178.421 176.519 -0.123 0.000 1.276 385 W CA -0.240 57.055 57.345 -0.083 0.000 1.342 385 W CB -0.018 29.401 29.460 -0.068 0.000 1.135 385 W HN 0.420 nan 8.180 nan 0.000 0.654 386 L N -0.984 120.217 121.223 -0.036 0.000 2.044 386 L HA -0.115 4.229 4.340 0.006 0.000 0.205 386 L C 0.415 177.015 176.870 -0.450 0.000 1.075 386 L CA 1.245 55.935 54.840 -0.251 0.000 0.747 386 L CB -0.353 41.508 42.059 -0.328 0.000 0.903 386 L HN 0.020 nan 8.230 nan 0.000 0.435 387 H N -1.253 117.740 119.070 -0.129 0.000 2.355 387 H HA 0.159 4.719 4.556 0.005 0.000 0.232 387 H C -1.799 173.430 175.328 -0.166 0.000 1.422 387 H CA -1.640 54.332 56.048 -0.126 0.000 1.261 387 H CB 0.001 29.685 29.762 -0.129 0.000 1.595 387 H HN 0.073 nan 8.280 nan 0.000 0.529 388 P HA -0.147 nan 4.420 nan 0.000 0.228 388 P C 0.584 177.800 177.300 -0.141 0.000 1.151 388 P CA 1.156 64.122 63.100 -0.222 0.000 0.770 388 P CB 0.707 32.273 31.700 -0.222 0.000 0.786 389 E N -0.513 119.653 120.200 -0.058 0.000 2.562 389 E HA 0.051 4.404 4.350 0.006 0.000 0.214 389 E C -0.154 176.426 176.600 -0.033 0.000 0.979 389 E CA -0.135 56.238 56.400 -0.044 0.000 1.002 389 E CB 0.075 29.765 29.700 -0.016 0.000 1.048 389 E HN 0.259 nan 8.360 nan 0.000 0.488 390 D N 2.085 122.478 120.400 -0.011 0.000 2.382 390 D HA 0.005 4.649 4.640 0.006 0.000 0.259 390 D C -1.628 174.649 176.300 -0.039 0.000 1.224 390 D CA -1.546 52.448 54.000 -0.010 0.000 0.894 390 D CB 1.402 42.204 40.800 0.004 0.000 1.127 390 D HN -0.166 nan 8.370 nan 0.000 0.487 391 P HA -0.113 nan 4.420 nan 0.000 0.217 391 P C 1.153 178.391 177.300 -0.104 0.000 1.150 391 P CA 0.985 64.025 63.100 -0.099 0.000 0.832 391 P CB 0.215 31.852 31.700 -0.104 0.000 0.787 392 T N -1.784 112.730 114.554 -0.067 0.000 2.777 392 T HA -0.182 4.172 4.350 0.006 0.000 0.266 392 T C 1.741 176.432 174.700 -0.014 0.000 1.040 392 T CA 1.604 63.678 62.100 -0.044 0.000 1.141 392 T CB -0.931 67.924 68.868 -0.022 0.000 0.868 392 T HN 0.263 nan 8.240 nan 0.000 0.444 393 H N 1.108 120.123 119.070 -0.093 0.000 2.326 393 H HA 0.090 4.649 4.556 0.005 0.000 0.301 393 H C 1.987 177.242 175.328 -0.122 0.000 1.081 393 H CA 1.344 57.336 56.048 -0.095 0.000 1.334 393 H CB -0.619 29.066 29.762 -0.129 0.000 1.385 393 H HN 0.244 nan 8.280 nan 0.000 0.504 394 L N 0.169 121.172 121.223 -0.365 0.000 2.079 394 L HA -0.171 4.172 4.340 0.006 0.000 0.210 394 L C 2.923 179.699 176.870 -0.158 0.000 1.081 394 L CA 1.535 56.091 54.840 -0.473 0.000 0.752 394 L CB -0.497 41.361 42.059 -0.335 0.000 0.896 394 L HN 0.299 nan 8.230 nan 0.000 0.433 395 R N 0.487 120.940 120.500 -0.077 0.000 2.073 395 R HA -0.176 4.168 4.340 0.006 0.000 0.234 395 R C 1.551 177.952 176.300 0.169 0.000 1.134 395 R CA 2.096 58.243 56.100 0.079 0.000 0.952 395 R CB -0.328 29.913 30.300 -0.100 0.000 0.850 395 R HN 0.342 nan 8.270 nan 0.000 0.433 396 D N 0.219 120.658 120.400 0.064 0.000 2.234 396 D HA -0.021 4.623 4.640 0.006 0.000 0.205 396 D C 1.640 177.995 176.300 0.091 0.000 0.962 396 D CA 1.149 55.223 54.000 0.125 0.000 0.855 396 D CB -0.040 40.833 40.800 0.122 0.000 0.951 396 D HN 0.362 nan 8.370 nan 0.000 0.500 397 A N 0.689 123.467 122.820 -0.070 0.000 1.897 397 A HA -0.099 4.224 4.320 0.006 0.000 0.215 397 A C 2.115 179.818 177.584 0.199 0.000 1.181 397 A CA 1.116 53.165 52.037 0.019 0.000 0.620 397 A CB -0.416 18.387 19.000 -0.329 0.000 0.821 397 A HN 0.112 nan 8.150 nan 0.000 0.443 398 M N 0.236 120.013 119.600 0.295 0.000 2.106 398 M HA -0.134 4.350 4.480 0.006 0.000 0.259 398 M C 2.290 178.630 176.300 0.067 0.000 1.068 398 M CA 2.212 57.664 55.300 0.254 0.000 1.100 398 M CB -0.634 32.172 32.600 0.343 0.000 1.351 398 M HN 0.414 nan 8.290 nan 0.000 0.404 399 S N -0.493 115.273 115.700 0.111 0.000 2.356 399 S HA -0.103 4.371 4.470 0.006 0.000 0.223 399 S C 2.018 176.686 174.600 0.113 0.000 1.032 399 S CA 1.615 59.889 58.200 0.123 0.000 1.005 399 S CB -0.575 62.764 63.200 0.231 0.000 0.867 399 S HN 0.636 nan 8.310 nan 0.000 0.449 400 A N 0.703 123.610 122.820 0.146 0.000 1.930 400 A HA 0.069 4.393 4.320 0.006 0.000 0.217 400 A C 2.337 179.981 177.584 0.099 0.000 1.175 400 A CA 1.473 53.634 52.037 0.206 0.000 0.627 400 A CB -0.997 18.232 19.000 0.382 0.000 0.815 400 A HN 0.443 nan 8.150 nan 0.000 0.443 401 V N -0.339 119.468 119.914 -0.178 0.000 2.282 401 V HA -0.269 3.854 4.120 0.006 0.000 0.249 401 V C 2.544 178.532 176.094 -0.176 0.000 1.057 401 V CA 2.293 64.385 62.300 -0.347 0.000 1.032 401 V CB -0.668 30.927 31.823 -0.379 0.000 0.645 401 V HN 0.390 nan 8.190 nan 0.000 0.447 402 V N 0.239 120.084 119.914 -0.114 0.000 2.407 402 V HA -0.029 4.095 4.120 0.006 0.000 0.245 402 V C 2.572 178.563 176.094 -0.172 0.000 1.041 402 V CA 1.766 63.990 62.300 -0.125 0.000 1.040 402 V CB -1.040 30.759 31.823 -0.039 0.000 0.671 402 V HN 0.595 nan 8.190 nan 0.000 0.455 403 G N -0.152 108.617 108.800 -0.052 0.000 2.418 403 G HA2 -0.241 3.723 3.960 0.006 0.000 0.217 403 G HA3 -0.241 3.723 3.960 0.006 0.000 0.217 403 G C 1.228 176.062 174.900 -0.111 0.000 1.158 403 G CA 1.116 46.202 45.100 -0.024 0.000 0.771 403 G HN 0.489 nan 8.290 nan 0.000 0.545 404 D N -0.535 119.800 120.400 -0.109 0.000 2.120 404 D HA -0.037 4.607 4.640 0.006 0.000 0.202 404 D C 2.116 178.100 176.300 -0.526 0.000 0.972 404 D CA 1.003 54.909 54.000 -0.156 0.000 0.837 404 D CB -0.451 40.424 40.800 0.125 0.000 0.989 404 D HN 0.357 nan 8.370 nan 0.000 0.469 405 H N 1.002 119.465 119.070 -1.012 0.000 2.387 405 H HA 0.009 4.568 4.556 0.005 0.000 0.299 405 H C 1.440 176.366 175.328 -0.670 0.000 1.090 405 H CA 1.653 56.944 56.048 -1.262 0.000 1.332 405 H CB 0.102 29.072 29.762 -1.320 0.000 1.386 405 H HN 0.007 nan 8.280 nan 0.000 0.516 406 N N -0.992 117.272 118.700 -0.728 0.000 2.432 406 N HA 0.014 4.758 4.740 0.006 0.000 0.174 406 N C 1.346 176.632 175.510 -0.375 0.000 1.037 406 N CA 1.020 53.593 53.050 -0.794 0.000 0.892 406 N CB 1.013 38.485 38.487 -1.692 0.000 1.049 406 N HN 0.253 nan 8.380 nan 0.000 0.442 407 V N -0.165 119.582 119.914 -0.279 0.000 3.134 407 V HA 0.064 4.188 4.120 0.006 0.000 0.222 407 V C 2.197 178.250 176.094 -0.068 0.000 1.247 407 V CA 0.254 62.519 62.300 -0.057 0.000 1.281 407 V CB -0.142 31.727 31.823 0.076 0.000 1.169 407 V HN -0.167 nan 8.190 nan 0.000 0.512 408 V N -0.069 119.804 119.914 -0.069 0.000 2.295 408 V HA -0.291 3.833 4.120 0.006 0.000 0.246 408 V C 2.472 178.527 176.094 -0.065 0.000 1.049 408 V CA 2.544 64.814 62.300 -0.050 0.000 1.024 408 V CB -0.728 31.095 31.823 -0.001 0.000 0.648 408 V HN 0.661 nan 8.190 nan 0.000 0.447 409 c N -0.636 117.917 118.600 -0.079 0.000 2.486 409 c HA 0.039 4.613 4.570 0.006 0.000 0.279 409 c C 0.575 174.632 174.090 -0.055 0.000 1.302 409 c CA 0.752 57.064 56.329 -0.029 0.000 1.720 409 c CB -1.680 40.850 42.510 0.032 0.000 2.030 409 c HN 0.450 nan 8.230 nan 0.000 0.490 410 P HA -0.101 nan 4.420 nan 0.000 0.216 410 P C 1.731 178.967 177.300 -0.108 0.000 1.153 410 P CA 1.463 64.490 63.100 -0.123 0.000 0.858 410 P CB -0.144 31.448 31.700 -0.179 0.000 0.789 411 V N -0.093 119.758 119.914 -0.105 0.000 2.343 411 V HA -0.262 3.862 4.120 0.006 0.000 0.247 411 V C 2.433 178.431 176.094 -0.160 0.000 1.051 411 V CA 2.237 64.461 62.300 -0.127 0.000 1.036 411 V CB -1.657 30.087 31.823 -0.130 0.000 0.654 411 V HN 0.105 nan 8.190 nan 0.000 0.451 412 A N -0.470 122.268 122.820 -0.136 0.000 1.883 412 A HA -0.344 3.979 4.320 0.006 0.000 0.217 412 A C 2.193 179.738 177.584 -0.065 0.000 1.186 412 A CA 2.351 54.313 52.037 -0.125 0.000 0.624 412 A CB -0.660 18.314 19.000 -0.043 0.000 0.822 412 A HN 0.578 nan 8.150 nan 0.000 0.444 413 Q N -0.823 118.958 119.800 -0.032 0.000 2.077 413 Q HA -0.207 4.137 4.340 0.006 0.000 0.206 413 Q C 1.876 177.856 176.000 -0.032 0.000 0.989 413 Q CA 2.058 57.855 55.803 -0.010 0.000 0.853 413 Q CB -0.418 28.310 28.738 -0.016 0.000 0.907 413 Q HN 0.538 nan 8.270 nan 0.000 0.418 414 L N -0.008 121.169 121.223 -0.078 0.000 2.005 414 L HA -0.048 4.296 4.340 0.006 0.000 0.207 414 L C 2.201 179.011 176.870 -0.100 0.000 1.072 414 L CA 2.262 57.043 54.840 -0.099 0.000 0.744 414 L CB -1.151 40.834 42.059 -0.123 0.000 0.895 414 L HN 0.297 nan 8.230 nan 0.000 0.433 415 A N -0.528 122.199 122.820 -0.156 0.000 1.883 415 A HA -0.157 4.167 4.320 0.006 0.000 0.217 415 A C 2.343 179.960 177.584 0.054 0.000 1.186 415 A CA 1.905 53.824 52.037 -0.196 0.000 0.624 415 A CB -1.711 16.907 19.000 -0.637 0.000 0.822 415 A HN 0.551 nan 8.150 nan 0.000 0.444 416 G N -0.839 108.042 108.800 0.135 0.000 2.446 416 G HA2 -0.237 3.727 3.960 0.006 0.000 0.217 416 G HA3 -0.237 3.727 3.960 0.006 0.000 0.217 416 G C 1.674 176.659 174.900 0.140 0.000 1.168 416 G CA 0.921 46.171 45.100 0.251 0.000 0.771 416 G HN 0.391 nan 8.290 nan 0.000 0.551 417 R N 0.161 120.708 120.500 0.079 0.000 2.092 417 R HA 0.147 4.491 4.340 0.006 0.000 0.231 417 R C 2.658 179.015 176.300 0.095 0.000 1.119 417 R CA 0.479 56.626 56.100 0.080 0.000 0.970 417 R CB -0.998 29.337 30.300 0.058 0.000 0.864 417 R HN 0.420 nan 8.270 nan 0.000 0.440 418 L N -0.107 121.130 121.223 0.024 0.000 2.109 418 L HA -0.027 4.317 4.340 0.006 0.000 0.207 418 L C 2.508 179.438 176.870 0.099 0.000 1.086 418 L CA 1.174 56.006 54.840 -0.012 0.000 0.760 418 L CB -0.635 41.315 42.059 -0.182 0.000 0.910 418 L HN 0.108 nan 8.230 nan 0.000 0.437 419 A N 0.395 123.282 122.820 0.111 0.000 1.873 419 A HA -0.109 4.215 4.320 0.006 0.000 0.215 419 A C 2.487 180.129 177.584 0.098 0.000 1.186 419 A CA 1.479 53.587 52.037 0.118 0.000 0.616 419 A CB -0.699 18.404 19.000 0.171 0.000 0.823 419 A HN 0.359 nan 8.150 nan 0.000 0.442 420 A N -1.253 121.628 122.820 0.101 0.000 2.186 420 A HA -0.123 4.201 4.320 0.006 0.000 0.219 420 A C 1.637 179.274 177.584 0.089 0.000 1.159 420 A CA 1.497 53.583 52.037 0.081 0.000 0.680 420 A CB -0.328 18.720 19.000 0.080 0.000 0.787 420 A HN 0.662 nan 8.150 nan 0.000 0.467 421 Q N -2.362 117.516 119.800 0.131 0.000 2.115 421 Q HA 0.366 4.709 4.340 0.006 0.000 0.249 421 Q C 0.775 176.870 176.000 0.159 0.000 0.830 421 Q CA 0.266 56.157 55.803 0.147 0.000 1.104 421 Q CB 0.861 29.733 28.738 0.224 0.000 1.207 421 Q HN 0.749 nan 8.270 nan 0.000 0.464 422 G N 0.710 109.584 108.800 0.124 0.000 2.259 422 G HA2 -0.251 3.713 3.960 0.006 0.000 0.217 422 G HA3 -0.251 3.713 3.960 0.006 0.000 0.217 422 G C 0.382 175.350 174.900 0.113 0.000 1.001 422 G CA -0.250 44.911 45.100 0.101 0.000 0.627 422 G HN 0.505 nan 8.290 nan 0.000 0.501 423 A N 0.369 123.281 122.820 0.153 0.000 2.445 423 A HA 0.665 4.989 4.320 0.006 0.000 0.242 423 A C 0.638 178.268 177.584 0.077 0.000 1.075 423 A CA 0.677 52.792 52.037 0.130 0.000 0.777 423 A CB 0.228 19.296 19.000 0.113 0.000 1.013 423 A HN 0.717 nan 8.150 nan 0.000 0.493 424 R N 1.644 122.190 120.500 0.077 0.000 2.216 424 R HA 0.467 4.810 4.340 0.006 0.000 0.332 424 R C -1.354 174.954 176.300 0.015 0.000 1.056 424 R CA -0.064 56.050 56.100 0.023 0.000 0.901 424 R CB 0.364 30.709 30.300 0.076 0.000 1.039 424 R HN 0.473 nan 8.270 nan 0.000 0.456 425 V N 6.003 125.853 119.914 -0.107 0.000 2.487 425 V HA 0.361 4.485 4.120 0.006 0.000 0.298 425 V C -0.992 174.964 176.094 -0.231 0.000 1.028 425 V CA -0.819 61.446 62.300 -0.059 0.000 0.860 425 V CB 1.264 33.120 31.823 0.054 0.000 0.991 425 V HN 0.640 nan 8.190 nan 0.000 0.427 426 Y N 2.300 122.570 120.300 -0.049 0.000 2.409 426 Y HA 0.803 5.356 4.550 0.005 0.000 0.339 426 Y C 0.380 176.385 175.900 0.177 0.000 1.033 426 Y CA -0.614 57.459 58.100 -0.045 0.000 1.094 426 Y CB 2.175 40.234 38.460 -0.668 0.000 1.210 426 Y HN 0.742 nan 8.280 nan 0.000 0.456 427 A N 3.099 126.346 122.820 0.713 0.000 2.398 427 A HA 0.760 5.084 4.320 0.006 0.000 0.301 427 A C -1.862 176.087 177.584 0.608 0.000 1.041 427 A CA -0.694 51.618 52.037 0.458 0.000 0.711 427 A CB 0.657 19.758 19.000 0.168 0.000 1.240 427 A HN 0.745 nan 8.150 nan 0.000 0.420 428 Y N 0.271 120.788 120.300 0.361 0.000 2.605 428 Y HA 0.831 5.384 4.550 0.004 0.000 0.343 428 Y C -0.967 175.078 175.900 0.241 0.000 1.036 428 Y CA -1.690 56.556 58.100 0.243 0.000 1.065 428 Y CB 1.472 40.071 38.460 0.232 0.000 1.288 428 Y HN 0.680 nan 8.280 nan 0.000 0.481 429 I N 3.348 124.173 120.570 0.425 0.000 2.466 429 I HA 0.448 4.621 4.170 0.006 0.000 0.289 429 I C -1.878 174.551 176.117 0.521 0.000 1.026 429 I CA -1.030 60.487 61.300 0.363 0.000 1.078 429 I CB 1.131 39.299 38.000 0.280 0.000 1.249 429 I HN 0.755 nan 8.210 nan 0.000 0.429 430 F N 7.331 127.550 119.950 0.449 0.000 2.410 430 F HA 0.417 4.948 4.527 0.007 0.000 0.349 430 F C 0.543 176.489 175.800 0.244 0.000 1.117 430 F CA 0.133 58.355 58.000 0.371 0.000 1.104 430 F CB 0.987 40.236 39.000 0.414 0.000 1.122 430 F HN 0.563 nan 8.300 nan 0.000 0.483 431 E N 2.782 122.821 120.200 -0.269 0.000 2.641 431 E HA -0.026 4.328 4.350 0.006 0.000 0.224 431 E C -0.812 175.651 176.600 -0.228 0.000 0.951 431 E CA -0.168 56.158 56.400 -0.123 0.000 1.102 431 E CB 0.329 29.994 29.700 -0.058 0.000 1.091 431 E HN 0.527 nan 8.360 nan 0.000 0.507 432 H N 1.937 120.605 119.070 -0.671 0.000 2.604 432 H HA 0.190 4.750 4.556 0.005 0.000 0.306 432 H C -0.235 175.018 175.328 -0.125 0.000 1.075 432 H CA -0.451 55.305 56.048 -0.486 0.000 1.357 432 H CB 0.498 29.779 29.762 -0.803 0.000 1.426 432 H HN -0.128 nan 8.280 nan 0.000 0.470 433 R N 4.403 124.578 120.500 -0.542 0.000 2.234 433 R HA 0.471 4.814 4.340 0.006 0.000 0.324 433 R C -0.608 175.427 176.300 -0.443 0.000 1.054 433 R CA -0.558 55.365 56.100 -0.295 0.000 0.912 433 R CB 0.362 30.582 30.300 -0.134 0.000 1.030 433 R HN 0.771 nan 8.270 nan 0.000 0.455 434 A N 3.328 126.169 122.820 0.035 0.000 2.565 434 A HA -0.013 4.311 4.320 0.006 0.000 0.237 434 A C 1.400 179.054 177.584 0.117 0.000 1.053 434 A CA 0.547 52.791 52.037 0.344 0.000 0.755 434 A CB 0.277 19.616 19.000 0.565 0.000 0.980 434 A HN 1.037 nan 8.150 nan 0.000 0.506 435 S N 1.501 117.302 115.700 0.169 0.000 2.419 435 S HA -0.167 4.307 4.470 0.006 0.000 0.233 435 S C 1.437 176.011 174.600 -0.044 0.000 1.016 435 S CA 1.697 59.931 58.200 0.057 0.000 0.974 435 S CB -0.880 62.378 63.200 0.096 0.000 0.786 435 S HN 1.301 nan 8.310 nan 0.000 0.492 436 T N -0.647 113.831 114.554 -0.127 0.000 3.129 436 T HA 0.312 4.666 4.350 0.006 0.000 0.251 436 T C 0.445 175.061 174.700 -0.140 0.000 1.117 436 T CA -0.465 61.502 62.100 -0.221 0.000 1.034 436 T CB -0.563 68.015 68.868 -0.483 0.000 0.968 436 T HN 0.262 nan 8.240 nan 0.000 0.526 437 L N 3.916 125.098 121.223 -0.068 0.000 2.490 437 L HA 0.267 4.611 4.340 0.006 0.000 0.274 437 L C 1.456 178.267 176.870 -0.098 0.000 1.201 437 L CA 0.888 55.681 54.840 -0.077 0.000 0.869 437 L CB 0.850 42.870 42.059 -0.065 0.000 1.123 437 L HN 0.425 nan 8.230 nan 0.000 0.484 438 T N -0.522 113.936 114.554 -0.161 0.000 3.054 438 T HA 0.164 4.518 4.350 0.006 0.000 0.255 438 T C 0.252 174.927 174.700 -0.042 0.000 1.035 438 T CA -0.494 61.510 62.100 -0.159 0.000 0.941 438 T CB -0.352 68.309 68.868 -0.345 0.000 1.026 438 T HN 0.419 nan 8.240 nan 0.000 0.533 439 W N 3.270 124.565 121.300 -0.008 0.000 2.215 439 W HA 0.468 5.132 4.660 0.007 0.000 0.342 439 W C -2.013 174.426 176.519 -0.133 0.000 1.237 439 W CA -2.274 55.063 57.345 -0.013 0.000 1.283 439 W CB 0.327 29.707 29.460 -0.133 0.000 1.131 439 W HN -0.043 nan 8.180 nan 0.000 0.606 440 P HA -0.013 nan 4.420 nan 0.000 0.270 440 P C 0.532 177.774 177.300 -0.097 0.000 1.223 440 P CA 0.066 63.147 63.100 -0.032 0.000 0.785 440 P CB 0.889 32.575 31.700 -0.023 0.000 0.923 441 L N 0.403 121.629 121.223 0.006 0.000 2.187 441 L HA -0.137 4.206 4.340 0.006 0.000 0.213 441 L C 2.498 179.406 176.870 0.063 0.000 1.100 441 L CA 1.348 56.206 54.840 0.031 0.000 0.765 441 L CB -0.811 41.293 42.059 0.075 0.000 0.904 441 L HN 0.608 nan 8.230 nan 0.000 0.437 442 W N -1.225 120.123 121.300 0.081 0.000 2.425 442 W HA -0.166 4.497 4.660 0.005 0.000 0.277 442 W C 1.707 178.287 176.519 0.102 0.000 1.231 442 W CA 0.517 57.914 57.345 0.088 0.000 1.248 442 W CB -0.862 28.654 29.460 0.093 0.000 1.117 442 W HN 0.171 nan 8.180 nan 0.000 0.568 443 M N 1.444 120.743 119.600 -0.502 0.000 2.659 443 M HA 0.109 4.593 4.480 0.006 0.000 0.243 443 M C 1.825 178.044 176.300 -0.135 0.000 1.111 443 M CA 1.413 56.411 55.300 -0.503 0.000 1.070 443 M CB -0.638 31.503 32.600 -0.765 0.000 1.525 443 M HN 0.211 nan 8.290 nan 0.000 0.517 444 G N 0.575 109.352 108.800 -0.037 0.000 2.629 444 G HA2 -0.302 3.662 3.960 0.006 0.000 0.313 444 G HA3 -0.302 3.662 3.960 0.006 0.000 0.313 444 G C -0.085 174.832 174.900 0.029 0.000 1.217 444 G CA 0.004 45.123 45.100 0.032 0.000 0.994 444 G HN 0.256 nan 8.290 nan 0.000 0.549 445 V N 3.561 123.529 119.914 0.090 0.000 2.277 445 V HA 0.479 4.603 4.120 0.006 0.000 0.269 445 V C -1.837 174.377 176.094 0.200 0.000 1.036 445 V CA -0.849 61.547 62.300 0.160 0.000 0.821 445 V CB 1.159 33.123 31.823 0.236 0.000 1.052 445 V HN 0.538 nan 8.190 nan 0.000 0.462 446 P HA 0.216 nan 4.420 nan 0.000 0.276 446 P C -0.282 177.212 177.300 0.323 0.000 1.252 446 P CA -0.559 62.657 63.100 0.193 0.000 0.802 446 P CB 0.431 32.151 31.700 0.034 0.000 1.035 447 H N 0.425 119.555 119.070 0.100 0.000 3.094 447 H HA 0.255 4.814 4.556 0.005 0.000 0.320 447 H C 1.561 176.784 175.328 -0.174 0.000 1.000 447 H CA 2.332 58.377 56.048 -0.005 0.000 1.413 447 H CB -0.589 29.157 29.762 -0.026 0.000 1.405 447 H HN 0.762 nan 8.280 nan 0.000 0.586 448 G N 3.343 111.871 108.800 -0.452 0.000 2.199 448 G HA2 -0.332 3.632 3.960 0.006 0.000 0.254 448 G HA3 -0.332 3.632 3.960 0.006 0.000 0.254 448 G C 0.540 175.285 174.900 -0.259 0.000 0.982 448 G CA 0.490 45.304 45.100 -0.477 0.000 0.632 448 G HN 0.664 nan 8.290 nan 0.000 0.529 449 Y N 1.236 121.605 120.300 0.115 0.000 2.493 449 Y HA 0.255 4.809 4.550 0.005 0.000 0.275 449 Y C 2.265 178.261 175.900 0.160 0.000 1.183 449 Y CA 0.809 59.046 58.100 0.228 0.000 1.258 449 Y CB 0.468 39.101 38.460 0.288 0.000 1.108 449 Y HN 0.476 nan 8.280 nan 0.000 0.521 450 E N 0.252 120.378 120.200 -0.123 0.000 2.340 450 E HA -0.051 4.303 4.350 0.006 0.000 0.194 450 E C 1.581 178.063 176.600 -0.197 0.000 0.996 450 E CA 0.626 56.614 56.400 -0.687 0.000 0.869 450 E CB -0.379 28.471 29.700 -1.417 0.000 0.835 450 E HN 0.537 nan 8.360 nan 0.000 0.493 451 I N 2.788 123.340 120.570 -0.030 0.000 2.163 451 I HA -0.312 3.861 4.170 0.006 0.000 0.243 451 I C 2.670 178.803 176.117 0.026 0.000 1.085 451 I CA 2.139 63.472 61.300 0.056 0.000 1.347 451 I CB -0.495 37.606 38.000 0.169 0.000 1.044 451 I HN 0.208 nan 8.210 nan 0.000 0.408 452 E N 1.059 121.233 120.200 -0.044 0.000 2.209 452 E HA -0.245 4.108 4.350 0.006 0.000 0.196 452 E C 2.034 178.416 176.600 -0.363 0.000 0.993 452 E CA 1.548 57.817 56.400 -0.218 0.000 0.819 452 E CB -0.561 28.994 29.700 -0.242 0.000 0.745 452 E HN 0.472 nan 8.360 nan 0.000 0.477 453 F N 1.346 121.193 119.950 -0.172 0.000 2.149 453 F HA -0.038 4.494 4.527 0.009 0.000 0.294 453 F C 2.383 177.955 175.800 -0.379 0.000 1.095 453 F CA 0.437 58.279 58.000 -0.264 0.000 1.276 453 F CB -0.177 38.739 39.000 -0.141 0.000 1.023 453 F HN -0.062 nan 8.300 nan 0.000 0.480 454 I N -0.507 119.897 120.570 -0.276 0.000 2.248 454 I HA -0.315 3.859 4.170 0.006 0.000 0.248 454 I C 2.051 177.911 176.117 -0.427 0.000 1.107 454 I CA 1.817 62.789 61.300 -0.548 0.000 1.373 454 I CB -1.551 36.011 38.000 -0.731 0.000 1.055 454 I HN 0.107 nan 8.210 nan 0.000 0.418 455 F N 0.728 120.488 119.950 -0.316 0.000 2.789 455 F HA 0.257 4.787 4.527 0.006 0.000 0.300 455 F C 1.881 177.524 175.800 -0.261 0.000 1.132 455 F CA 0.742 58.595 58.000 -0.245 0.000 1.404 455 F CB -0.203 38.644 39.000 -0.256 0.000 1.114 455 F HN 0.282 nan 8.300 nan 0.000 0.584 456 G N 0.518 109.149 108.800 -0.281 0.000 2.160 456 G HA2 -0.281 3.683 3.960 0.006 0.000 0.244 456 G HA3 -0.281 3.683 3.960 0.006 0.000 0.244 456 G C 1.116 175.392 174.900 -1.040 0.000 1.022 456 G CA 0.392 45.191 45.100 -0.503 0.000 0.741 456 G HN 0.368 nan 8.290 nan 0.000 0.508 457 L N -0.531 120.128 121.223 -0.939 0.000 2.079 457 L HA -0.093 4.251 4.340 0.006 0.000 0.210 457 L C 0.209 176.474 176.870 -1.009 0.000 1.081 457 L CA 2.090 56.310 54.840 -1.033 0.000 0.752 457 L CB -1.551 40.167 42.059 -0.569 0.000 0.896 457 L HN 0.207 nan 8.230 nan 0.000 0.433 458 P HA -0.151 nan 4.420 nan 0.000 0.226 458 P C 1.733 178.724 177.300 -0.516 0.000 1.146 458 P CA 1.084 63.500 63.100 -1.139 0.000 0.773 458 P CB -0.017 31.045 31.700 -1.063 0.000 0.772 459 L N -1.542 119.348 121.223 -0.555 0.000 2.465 459 L HA -0.003 4.341 4.340 0.006 0.000 0.224 459 L C 1.002 177.765 176.870 -0.177 0.000 1.145 459 L CA 0.587 55.238 54.840 -0.315 0.000 0.834 459 L CB -0.676 41.224 42.059 -0.265 0.000 0.944 459 L HN 0.022 nan 8.230 nan 0.000 0.451 460 D N 0.933 121.195 120.400 -0.229 0.000 2.339 460 D HA 0.109 4.753 4.640 0.006 0.000 0.241 460 D C -1.606 174.703 176.300 0.014 0.000 1.183 460 D CA -2.049 51.953 54.000 0.002 0.000 0.859 460 D CB 1.777 42.628 40.800 0.085 0.000 1.067 460 D HN -0.121 nan 8.370 nan 0.000 0.484 461 P HA -0.175 nan 4.420 nan 0.000 0.216 461 P C 1.288 178.607 177.300 0.030 0.000 1.153 461 P CA 1.277 64.393 63.100 0.028 0.000 0.858 461 P CB 0.020 31.734 31.700 0.023 0.000 0.789 462 S N -1.433 114.283 115.700 0.027 0.000 2.584 462 S HA -0.052 4.422 4.470 0.006 0.000 0.240 462 S C 1.601 176.206 174.600 0.008 0.000 0.975 462 S CA 0.702 58.910 58.200 0.013 0.000 0.949 462 S CB -1.380 61.826 63.200 0.010 0.000 0.761 462 S HN 0.110 nan 8.310 nan 0.000 0.536 463 L N 0.318 121.564 121.223 0.038 0.000 2.567 463 L HA 0.225 4.568 4.340 0.006 0.000 0.225 463 L C 0.305 177.148 176.870 -0.045 0.000 1.119 463 L CA -0.053 54.810 54.840 0.038 0.000 0.871 463 L CB -0.529 41.632 42.059 0.171 0.000 1.036 463 L HN 0.232 nan 8.230 nan 0.000 0.459 464 N N -1.860 116.837 118.700 -0.005 0.000 2.829 464 N HA -0.217 4.527 4.740 0.006 0.000 0.250 464 N C -0.419 175.044 175.510 -0.078 0.000 1.090 464 N CA 0.778 53.795 53.050 -0.056 0.000 0.781 464 N CB -1.861 36.563 38.487 -0.105 0.000 1.124 464 N HN 0.285 nan 8.380 nan 0.000 0.559 465 Y N 1.225 121.509 120.300 -0.027 0.000 2.357 465 Y HA 0.175 4.728 4.550 0.006 0.000 0.340 465 Y C 1.978 177.900 175.900 0.037 0.000 1.260 465 Y CA 0.313 58.421 58.100 0.013 0.000 1.425 465 Y CB 0.472 38.921 38.460 -0.019 0.000 1.326 465 Y HN 0.088 nan 8.280 nan 0.000 0.580 466 T N -2.430 112.268 114.554 0.241 0.000 2.802 466 T HA 0.013 4.367 4.350 0.006 0.000 0.305 466 T C 1.143 175.929 174.700 0.145 0.000 1.053 466 T CA -0.272 61.923 62.100 0.158 0.000 1.058 466 T CB 0.831 69.785 68.868 0.142 0.000 0.988 466 T HN 0.744 nan 8.240 nan 0.000 0.539 467 T N 1.530 116.138 114.554 0.090 0.000 2.746 467 T HA -0.092 4.262 4.350 0.006 0.000 0.267 467 T C 1.807 176.549 174.700 0.070 0.000 1.039 467 T CA 1.895 64.034 62.100 0.065 0.000 1.142 467 T CB -0.424 68.470 68.868 0.042 0.000 0.866 467 T HN 0.786 nan 8.240 nan 0.000 0.444 468 E N 1.263 121.504 120.200 0.069 0.000 2.077 468 E HA -0.117 4.237 4.350 0.006 0.000 0.193 468 E C 2.214 178.878 176.600 0.106 0.000 0.989 468 E CA 1.065 57.494 56.400 0.049 0.000 0.800 468 E CB -0.195 29.505 29.700 -0.000 0.000 0.746 468 E HN 0.565 nan 8.360 nan 0.000 0.452 469 E N 0.276 120.588 120.200 0.188 0.000 2.110 469 E HA -0.162 4.192 4.350 0.006 0.000 0.193 469 E C 2.126 178.881 176.600 0.259 0.000 0.988 469 E CA 0.536 57.161 56.400 0.376 0.000 0.804 469 E CB 0.006 30.059 29.700 0.589 0.000 0.745 469 E HN 0.054 nan 8.360 nan 0.000 0.458 470 R N 0.802 121.370 120.500 0.113 0.000 2.073 470 R HA -0.131 4.213 4.340 0.006 0.000 0.234 470 R C 2.208 178.518 176.300 0.017 0.000 1.134 470 R CA 1.107 57.207 56.100 0.000 0.000 0.952 470 R CB -0.300 29.995 30.300 -0.009 0.000 0.850 470 R HN 0.194 nan 8.270 nan 0.000 0.433 471 I N 0.226 120.833 120.570 0.061 0.000 2.179 471 I HA -0.291 3.883 4.170 0.006 0.000 0.242 471 I C 2.288 178.466 176.117 0.102 0.000 1.088 471 I CA 1.091 62.425 61.300 0.057 0.000 1.357 471 I CB -0.449 37.583 38.000 0.054 0.000 1.051 471 I HN 0.095 nan 8.210 nan 0.000 0.409 472 F N 1.988 121.928 119.950 -0.017 0.000 2.120 472 F HA -0.319 4.211 4.527 0.005 0.000 0.300 472 F C 2.397 178.227 175.800 0.049 0.000 1.095 472 F CA 1.405 59.398 58.000 -0.012 0.000 1.249 472 F CB -0.703 38.250 39.000 -0.078 0.000 0.995 472 F HN 0.047 nan 8.300 nan 0.000 0.480 473 A N -0.046 122.731 122.820 -0.071 0.000 1.902 473 A HA -0.240 4.083 4.320 0.006 0.000 0.217 473 A C 2.165 179.624 177.584 -0.208 0.000 1.181 473 A CA 1.795 53.716 52.037 -0.195 0.000 0.623 473 A CB -0.920 17.969 19.000 -0.185 0.000 0.818 473 A HN 0.608 nan 8.150 nan 0.000 0.443 474 Q N -1.005 118.714 119.800 -0.135 0.000 2.135 474 Q HA -0.184 4.160 4.340 0.006 0.000 0.204 474 Q C 2.380 178.291 176.000 -0.148 0.000 0.981 474 Q CA 1.574 57.306 55.803 -0.119 0.000 0.856 474 Q CB -0.178 28.516 28.738 -0.073 0.000 0.902 474 Q HN 0.629 nan 8.270 nan 0.000 0.425 475 R N 0.369 120.776 120.500 -0.155 0.000 2.083 475 R HA -0.131 4.212 4.340 0.006 0.000 0.237 475 R C 2.226 178.306 176.300 -0.366 0.000 1.137 475 R CA 1.224 57.169 56.100 -0.258 0.000 0.951 475 R CB -0.171 30.066 30.300 -0.105 0.000 0.851 475 R HN 0.238 nan 8.270 nan 0.000 0.434 476 L N -0.265 120.831 121.223 -0.211 0.000 2.056 476 L HA -0.168 4.176 4.340 0.006 0.000 0.207 476 L C 2.522 179.387 176.870 -0.008 0.000 1.078 476 L CA 1.207 56.029 54.840 -0.031 0.000 0.749 476 L CB -0.355 41.525 42.059 -0.299 0.000 0.901 476 L HN 0.255 nan 8.230 nan 0.000 0.433 477 M N -0.566 118.950 119.600 -0.139 0.000 2.108 477 M HA -0.201 4.283 4.480 0.006 0.000 0.261 477 M C 2.362 178.659 176.300 -0.005 0.000 1.066 477 M CA 1.607 56.851 55.300 -0.094 0.000 1.107 477 M CB -0.321 32.203 32.600 -0.126 0.000 1.356 477 M HN 0.074 nan 8.290 nan 0.000 0.406 478 K N 0.024 120.379 120.400 -0.074 0.000 1.991 478 K HA -0.173 4.150 4.320 0.006 0.000 0.212 478 K C 1.880 178.505 176.600 0.041 0.000 1.049 478 K CA 1.903 58.144 56.287 -0.077 0.000 0.932 478 K CB -0.785 31.595 32.500 -0.200 0.000 0.717 478 K HN 0.342 nan 8.250 nan 0.000 0.441 479 Y N -0.150 120.268 120.300 0.198 0.000 2.081 479 Y HA -0.241 4.314 4.550 0.008 0.000 0.280 479 Y C 2.538 178.542 175.900 0.173 0.000 1.163 479 Y CA 0.906 59.141 58.100 0.226 0.000 1.135 479 Y CB -0.902 37.822 38.460 0.439 0.000 0.970 479 Y HN 0.244 nan 8.280 nan 0.000 0.498 480 W N 0.727 122.096 121.300 0.115 0.000 2.333 480 W HA -0.252 4.411 4.660 0.005 0.000 0.316 480 W C 2.555 179.064 176.519 -0.018 0.000 1.215 480 W CA 2.481 59.826 57.345 -0.001 0.000 1.278 480 W CB -0.744 28.636 29.460 -0.133 0.000 1.154 480 W HN 0.251 nan 8.180 nan 0.000 0.486 481 T N -1.968 112.679 114.554 0.156 0.000 2.904 481 T HA -0.147 4.207 4.350 0.006 0.000 0.267 481 T C 1.406 176.121 174.700 0.025 0.000 1.059 481 T CA 1.247 63.374 62.100 0.044 0.000 1.137 481 T CB -0.574 68.303 68.868 0.014 0.000 0.879 481 T HN -0.061 nan 8.240 nan 0.000 0.467 482 N N 1.192 119.923 118.700 0.051 0.000 2.058 482 N HA -0.020 4.724 4.740 0.006 0.000 0.191 482 N C 1.385 176.875 175.510 -0.033 0.000 1.037 482 N CA 1.187 54.245 53.050 0.014 0.000 0.848 482 N CB -0.787 37.725 38.487 0.043 0.000 1.021 482 N HN 0.495 nan 8.380 nan 0.000 0.422 483 F N 1.607 121.452 119.950 -0.175 0.000 2.161 483 F HA -0.122 4.409 4.527 0.006 0.000 0.300 483 F C 2.124 177.828 175.800 -0.160 0.000 1.089 483 F CA 1.385 59.232 58.000 -0.256 0.000 1.282 483 F CB -0.343 38.402 39.000 -0.425 0.000 1.010 483 F HN 0.045 nan 8.300 nan 0.000 0.485 484 A N 0.690 123.408 122.820 -0.170 0.000 1.877 484 A HA -0.168 4.156 4.320 0.006 0.000 0.216 484 A C 2.367 179.832 177.584 -0.199 0.000 1.186 484 A CA 1.667 53.588 52.037 -0.193 0.000 0.620 484 A CB -0.745 18.218 19.000 -0.061 0.000 0.822 484 A HN 0.443 nan 8.150 nan 0.000 0.443 485 R N -1.125 119.293 120.500 -0.136 0.000 2.073 485 R HA -0.109 4.234 4.340 0.006 0.000 0.234 485 R C 2.144 178.359 176.300 -0.143 0.000 1.134 485 R CA 2.038 58.074 56.100 -0.107 0.000 0.952 485 R CB -0.277 29.985 30.300 -0.063 0.000 0.850 485 R HN 0.749 nan 8.270 nan 0.000 0.433 486 T N -5.989 108.452 114.554 -0.188 0.000 2.969 486 T HA 0.250 4.603 4.350 0.006 0.000 0.258 486 T C 1.145 175.713 174.700 -0.220 0.000 0.962 486 T CA 0.463 62.466 62.100 -0.161 0.000 0.903 486 T CB 1.406 70.214 68.868 -0.100 0.000 1.177 486 T HN 0.349 nan 8.240 nan 0.000 0.511 487 G N 1.140 109.688 108.800 -0.419 0.000 2.141 487 G HA2 -0.126 3.838 3.960 0.006 0.000 0.231 487 G HA3 -0.126 3.838 3.960 0.006 0.000 0.231 487 G C -0.415 174.389 174.900 -0.161 0.000 0.984 487 G CA 0.118 44.917 45.100 -0.502 0.000 0.660 487 G HN 0.781 nan 8.290 nan 0.000 0.525 488 D N -0.471 119.823 120.400 -0.177 0.000 2.736 488 D HA 0.448 5.092 4.640 0.006 0.000 0.243 488 D C -1.349 174.792 176.300 -0.264 0.000 1.304 488 D CA -1.514 52.340 54.000 -0.243 0.000 0.934 488 D CB 2.244 42.995 40.800 -0.082 0.000 1.382 488 D HN -0.004 nan 8.370 nan 0.000 0.571 489 P HA -0.061 nan 4.420 nan 0.000 0.223 489 P C 0.130 177.466 177.300 0.061 0.000 1.151 489 P CA 0.227 63.166 63.100 -0.269 0.000 0.787 489 P CB 0.431 31.665 31.700 -0.777 0.000 0.788 490 N N 1.524 120.226 118.700 0.003 0.000 2.453 490 N HA 0.003 4.746 4.740 0.006 0.000 0.253 490 N C 0.128 175.705 175.510 0.111 0.000 1.252 490 N CA 0.385 53.526 53.050 0.152 0.000 0.917 490 N CB 0.417 38.985 38.487 0.134 0.000 1.117 490 N HN 0.036 nan 8.380 nan 0.000 0.442 491 D N 1.238 121.713 120.400 0.125 0.000 2.317 491 D HA 0.160 4.803 4.640 0.006 0.000 0.252 491 D C -1.498 174.840 176.300 0.063 0.000 1.174 491 D CA -1.813 52.231 54.000 0.074 0.000 0.866 491 D CB 1.277 42.114 40.800 0.061 0.000 1.127 491 D HN 0.211 nan 8.370 nan 0.000 0.467 492 P HA -0.145 nan 4.420 nan 0.000 0.215 492 P C 1.048 178.371 177.300 0.038 0.000 1.157 492 P CA 1.351 64.473 63.100 0.038 0.000 0.874 492 P CB 0.417 32.131 31.700 0.024 0.000 0.790 493 R N -0.180 120.340 120.500 0.033 0.000 2.155 493 R HA -0.050 4.294 4.340 0.006 0.000 0.215 493 R C 1.213 177.537 176.300 0.039 0.000 1.123 493 R CA 0.821 56.940 56.100 0.031 0.000 0.882 493 R CB -1.713 28.602 30.300 0.025 0.000 0.789 493 R HN 0.136 nan 8.270 nan 0.000 0.452 494 D N 1.133 121.558 120.400 0.041 0.000 3.630 494 D HA -0.119 4.525 4.640 0.006 0.000 0.263 494 D C -0.095 176.242 176.300 0.062 0.000 1.483 494 D CA 0.577 54.606 54.000 0.049 0.000 1.036 494 D CB 0.327 41.157 40.800 0.050 0.000 1.204 494 D HN 0.179 nan 8.370 nan 0.000 0.644 495 S N 2.834 118.567 115.700 0.055 0.000 2.524 495 S HA 0.047 4.520 4.470 0.006 0.000 0.215 495 S C 1.615 176.250 174.600 0.058 0.000 0.986 495 S CA -0.203 58.032 58.200 0.060 0.000 0.911 495 S CB 0.395 63.625 63.200 0.050 0.000 0.805 495 S HN 0.414 nan 8.310 nan 0.000 0.501 496 K N 1.160 121.591 120.400 0.052 0.000 1.985 496 K HA 0.056 4.380 4.320 0.006 0.000 0.210 496 K C 0.711 177.346 176.600 0.059 0.000 1.047 496 K CA 0.771 57.087 56.287 0.048 0.000 0.932 496 K CB -0.297 32.227 32.500 0.040 0.000 0.716 496 K HN 0.130 nan 8.250 nan 0.000 0.439 497 S N 2.895 118.639 115.700 0.073 0.000 2.549 497 S HA 0.062 4.536 4.470 0.006 0.000 0.286 497 S C -2.222 172.444 174.600 0.110 0.000 1.314 497 S CA -1.087 57.170 58.200 0.095 0.000 1.062 497 S CB 0.399 63.671 63.200 0.121 0.000 0.865 497 S HN 0.105 nan 8.310 nan 0.000 0.498 498 P HA 0.044 nan 4.420 nan 0.000 0.268 498 P C -0.633 176.756 177.300 0.147 0.000 1.208 498 P CA -0.273 62.888 63.100 0.102 0.000 0.777 498 P CB 0.427 32.170 31.700 0.072 0.000 0.875 499 Q N 0.587 120.476 119.800 0.147 0.000 2.259 499 Q HA 0.164 4.507 4.340 0.006 0.000 0.246 499 Q C -0.515 175.645 176.000 0.267 0.000 0.920 499 Q CA 0.043 55.969 55.803 0.205 0.000 0.895 499 Q CB 0.944 29.787 28.738 0.176 0.000 1.220 499 Q HN 0.578 nan 8.270 nan 0.000 0.439 500 W N 6.212 127.578 121.300 0.110 0.000 2.317 500 W HA 0.314 4.977 4.660 0.006 0.000 0.327 500 W C -2.477 174.188 176.519 0.243 0.000 1.036 500 W CA -2.576 54.845 57.345 0.128 0.000 1.419 500 W CB 0.391 29.873 29.460 0.037 0.000 1.253 500 W HN 0.379 nan 8.180 nan 0.000 0.392 501 P HA 0.235 nan 4.420 nan 0.000 0.277 501 P C -2.540 174.973 177.300 0.355 0.000 1.240 501 P CA -1.551 61.769 63.100 0.366 0.000 0.798 501 P CB 0.705 32.532 31.700 0.213 0.000 0.979 502 P HA -0.008 nan 4.420 nan 0.000 0.267 502 P C -0.606 176.689 177.300 -0.008 0.000 1.201 502 P CA 0.329 63.226 63.100 -0.338 0.000 0.775 502 P CB 0.048 31.527 31.700 -0.368 0.000 0.854 503 Y N 2.254 122.498 120.300 -0.092 0.000 2.359 503 Y HA 0.345 4.901 4.550 0.009 0.000 0.334 503 Y C 0.301 176.195 175.900 -0.010 0.000 1.058 503 Y CA 0.330 58.442 58.100 0.020 0.000 1.244 503 Y CB 0.296 38.789 38.460 0.055 0.000 1.187 503 Y HN 0.347 nan 8.280 nan 0.000 0.510 504 T N 0.324 114.547 114.554 -0.551 0.000 2.924 504 T HA 0.224 4.578 4.350 0.006 0.000 0.291 504 T C 1.012 175.394 174.700 -0.529 0.000 1.045 504 T CA -0.188 61.682 62.100 -0.382 0.000 1.015 504 T CB 1.387 70.141 68.868 -0.189 0.000 1.103 504 T HN 0.684 nan 8.240 nan 0.000 0.496 505 T N -0.494 113.918 114.554 -0.236 0.000 2.788 505 T HA -0.058 4.295 4.350 0.006 0.000 0.268 505 T C 2.282 176.912 174.700 -0.116 0.000 1.044 505 T CA 1.088 63.106 62.100 -0.137 0.000 1.139 505 T CB -0.908 67.948 68.868 -0.020 0.000 0.867 505 T HN 0.840 nan 8.240 nan 0.000 0.454 506 A N 1.691 124.451 122.820 -0.100 0.000 1.877 506 A HA 0.425 4.748 4.320 0.006 0.000 0.216 506 A C 2.652 180.193 177.584 -0.071 0.000 1.186 506 A CA 1.930 53.929 52.037 -0.063 0.000 0.620 506 A CB -1.124 17.850 19.000 -0.044 0.000 0.822 506 A HN 0.856 nan 8.150 nan 0.000 0.443 507 A N -2.825 119.925 122.820 -0.116 0.000 2.167 507 A HA 0.352 4.675 4.320 0.006 0.000 0.208 507 A C 0.870 178.392 177.584 -0.103 0.000 1.198 507 A CA 0.800 52.786 52.037 -0.084 0.000 0.863 507 A CB -0.047 18.919 19.000 -0.057 0.000 0.904 507 A HN 0.483 nan 8.150 nan 0.000 0.484 508 Q N -0.096 119.528 119.800 -0.293 0.000 2.463 508 Q HA -0.209 4.134 4.340 0.006 0.000 0.299 508 Q C -0.675 175.396 176.000 0.117 0.000 1.353 508 Q CA 0.645 56.259 55.803 -0.315 0.000 0.828 508 Q CB -1.660 27.092 28.738 0.024 0.000 1.157 508 Q HN 0.826 nan 8.270 nan 0.000 0.436 509 Q N 0.362 120.210 119.800 0.081 0.000 2.259 509 Q HA 0.543 4.887 4.340 0.006 0.000 0.249 509 Q C -0.493 175.802 176.000 0.491 0.000 0.914 509 Q CA -0.184 55.758 55.803 0.232 0.000 0.904 509 Q CB 0.774 29.582 28.738 0.117 0.000 1.213 509 Q HN 0.349 nan 8.270 nan 0.000 0.428 510 Y N -1.719 118.709 120.300 0.213 0.000 2.638 510 Y HA 0.687 5.248 4.550 0.017 0.000 0.335 510 Y C -1.257 174.640 175.900 -0.005 0.000 1.155 510 Y CA -1.524 56.682 58.100 0.177 0.000 1.046 510 Y CB 0.533 39.096 38.460 0.171 0.000 1.303 510 Y HN 0.347 nan 8.280 nan 0.000 0.460 511 V N -0.070 119.768 119.914 -0.126 0.000 2.667 511 V HA 0.836 4.960 4.120 0.006 0.000 0.308 511 V C -0.135 175.868 176.094 -0.151 0.000 1.048 511 V CA -0.509 61.570 62.300 -0.370 0.000 0.928 511 V CB 1.229 32.543 31.823 -0.849 0.000 1.004 511 V HN 1.176 nan 8.190 nan 0.000 0.444 512 S N 4.269 119.884 115.700 -0.142 0.000 2.513 512 S HA 0.680 5.153 4.470 0.006 0.000 0.276 512 S C -0.425 174.144 174.600 -0.051 0.000 1.254 512 S CA -0.674 57.511 58.200 -0.025 0.000 1.053 512 S CB 0.607 63.783 63.200 -0.039 0.000 0.958 512 S HN 0.760 nan 8.310 nan 0.000 0.491 513 L N 4.072 125.313 121.223 0.031 0.000 2.277 513 L HA 0.504 4.847 4.340 0.006 0.000 0.284 513 L C -0.330 176.449 176.870 -0.153 0.000 1.028 513 L CA -0.479 54.404 54.840 0.071 0.000 0.835 513 L CB -0.015 42.203 42.059 0.265 0.000 1.215 513 L HN 0.907 nan 8.230 nan 0.000 0.425 514 N N 2.080 120.622 118.700 -0.264 0.000 3.344 514 N HA 0.363 5.106 4.740 0.006 0.000 0.296 514 N C 0.312 175.276 175.510 -0.910 0.000 1.571 514 N CA -0.994 51.633 53.050 -0.705 0.000 0.844 514 N CB 0.650 38.897 38.487 -0.400 0.000 1.718 514 N HN 0.182 nan 8.380 nan 0.000 0.589 515 L N -1.057 119.623 121.223 -0.906 0.000 2.265 515 L HA 0.020 4.364 4.340 0.006 0.000 0.215 515 L C 0.549 177.248 176.870 -0.285 0.000 1.117 515 L CA 1.074 55.530 54.840 -0.640 0.000 0.782 515 L CB -0.523 41.227 42.059 -0.514 0.000 0.914 515 L HN 0.400 nan 8.230 nan 0.000 0.441 516 K N 0.110 120.375 120.400 -0.224 0.000 2.154 516 K HA 0.251 4.574 4.320 0.006 0.000 0.264 516 K C -2.153 174.414 176.600 -0.055 0.000 1.008 516 K CA -1.888 54.333 56.287 -0.111 0.000 0.937 516 K CB 0.330 32.773 32.500 -0.095 0.000 1.002 516 K HN -0.220 nan 8.250 nan 0.000 0.469 517 P HA -0.081 nan 4.420 nan 0.000 0.266 517 P C -0.375 176.934 177.300 0.015 0.000 1.193 517 P CA 0.025 63.141 63.100 0.027 0.000 0.770 517 P CB 0.366 32.081 31.700 0.026 0.000 0.836 518 L N 1.987 123.238 121.223 0.047 0.000 2.747 518 L HA -0.144 4.199 4.340 0.006 0.000 0.286 518 L C 1.121 177.963 176.870 -0.048 0.000 1.216 518 L CA 1.054 55.882 54.840 -0.019 0.000 0.930 518 L CB -0.296 41.758 42.059 -0.010 0.000 1.216 518 L HN 0.536 nan 8.230 nan 0.000 0.486 519 E N 3.547 123.692 120.200 -0.091 0.000 2.187 519 E HA 0.409 4.763 4.350 0.006 0.000 0.268 519 E C -1.347 175.162 176.600 -0.152 0.000 0.896 519 E CA -0.810 55.533 56.400 -0.094 0.000 0.766 519 E CB 1.987 31.638 29.700 -0.082 0.000 1.142 519 E HN 0.302 nan 8.360 nan 0.000 0.408 520 V N 5.143 124.977 119.914 -0.134 0.000 2.432 520 V HA 0.390 4.514 4.120 0.006 0.000 0.275 520 V C 0.235 176.190 176.094 -0.233 0.000 1.043 520 V CA -0.287 61.907 62.300 -0.177 0.000 0.925 520 V CB 0.972 32.747 31.823 -0.081 0.000 0.985 520 V HN 0.690 nan 8.190 nan 0.000 0.466 521 R N 4.032 124.259 120.500 -0.455 0.000 2.873 521 R HA 0.730 5.074 4.340 0.006 0.000 0.264 521 R C -0.652 175.405 176.300 -0.406 0.000 1.026 521 R CA -0.970 54.837 56.100 -0.489 0.000 1.002 521 R CB 2.141 32.029 30.300 -0.686 0.000 1.174 521 R HN 0.577 nan 8.270 nan 0.000 0.488 522 R N 0.146 120.589 120.500 -0.096 0.000 2.599 522 R HA 0.467 4.811 4.340 0.006 0.000 0.295 522 R C -0.706 175.768 176.300 0.291 0.000 0.963 522 R CA -0.554 55.610 56.100 0.107 0.000 0.883 522 R CB 2.144 32.480 30.300 0.059 0.000 1.171 522 R HN 0.900 nan 8.270 nan 0.000 0.450 523 G N 2.339 111.373 108.800 0.390 0.000 3.421 523 G HA2 -0.225 3.738 3.960 0.006 0.000 0.656 523 G HA3 -0.225 3.738 3.960 0.006 0.000 0.656 523 G C -0.938 174.165 174.900 0.337 0.000 1.007 523 G CA -0.872 44.425 45.100 0.329 0.000 0.811 523 G HN 0.453 nan 8.290 nan 0.000 0.433 524 L N 4.066 125.388 121.223 0.165 0.000 2.401 524 L HA 0.497 4.841 4.340 0.006 0.000 0.283 524 L C 1.599 178.472 176.870 0.005 0.000 1.151 524 L CA -0.287 54.474 54.840 -0.132 0.000 0.942 524 L CB -0.135 41.754 42.059 -0.284 0.000 1.283 524 L HN 0.676 nan 8.230 nan 0.000 0.442 525 R N 2.830 123.369 120.500 0.065 0.000 3.225 525 R HA -0.288 4.056 4.340 0.006 0.000 0.245 525 R C 1.310 177.699 176.300 0.149 0.000 0.928 525 R CA 0.649 56.824 56.100 0.124 0.000 0.632 525 R CB -1.986 28.394 30.300 0.134 0.000 1.038 525 R HN 0.803 nan 8.270 nan 0.000 0.461 526 A N 0.570 123.478 122.820 0.147 0.000 1.883 526 A HA -0.255 4.069 4.320 0.006 0.000 0.217 526 A C 2.074 179.748 177.584 0.150 0.000 1.186 526 A CA 1.301 53.426 52.037 0.146 0.000 0.624 526 A CB -0.105 18.977 19.000 0.138 0.000 0.822 526 A HN 0.402 nan 8.150 nan 0.000 0.444 527 Q N -0.693 119.194 119.800 0.145 0.000 2.016 527 Q HA -0.111 4.233 4.340 0.006 0.000 0.200 527 Q C 2.321 178.444 176.000 0.206 0.000 0.978 527 Q CA 2.134 58.027 55.803 0.151 0.000 0.833 527 Q CB -1.303 27.507 28.738 0.120 0.000 0.895 527 Q HN 0.647 nan 8.270 nan 0.000 0.427 528 T N 0.769 115.468 114.554 0.241 0.000 2.720 528 T HA -0.155 4.199 4.350 0.006 0.000 0.268 528 T C 2.038 176.948 174.700 0.349 0.000 1.037 528 T CA 1.379 63.654 62.100 0.292 0.000 1.144 528 T CB -0.368 68.706 68.868 0.343 0.000 0.864 528 T HN 0.327 nan 8.240 nan 0.000 0.444 529 c N 1.522 120.316 118.600 0.323 0.000 2.432 529 c HA 0.162 4.735 4.570 0.006 0.000 0.280 529 c C 3.130 177.378 174.090 0.262 0.000 1.353 529 c CA 0.059 56.587 56.329 0.332 0.000 1.766 529 c CB -1.461 41.180 42.510 0.218 0.000 1.924 529 c HN 0.649 nan 8.230 nan 0.000 0.509 530 A N 0.084 123.027 122.820 0.204 0.000 1.933 530 A HA -0.198 4.125 4.320 0.006 0.000 0.218 530 A C 1.864 179.542 177.584 0.158 0.000 1.175 530 A CA 1.623 53.757 52.037 0.161 0.000 0.628 530 A CB -0.767 18.315 19.000 0.137 0.000 0.814 530 A HN 0.565 nan 8.150 nan 0.000 0.444 531 F N -0.744 119.193 119.950 -0.022 0.000 2.075 531 F HA -0.183 4.346 4.527 0.005 0.000 0.297 531 F C 1.964 177.703 175.800 -0.103 0.000 1.113 531 F CA 1.904 59.804 58.000 -0.166 0.000 1.218 531 F CB -0.563 38.068 39.000 -0.615 0.000 0.984 531 F HN 0.377 nan 8.300 nan 0.000 0.472 532 W N 0.720 122.014 121.300 -0.009 0.000 2.388 532 W HA -0.058 4.604 4.660 0.003 0.000 0.294 532 W C 2.229 178.696 176.519 -0.086 0.000 1.212 532 W CA 1.525 58.819 57.345 -0.084 0.000 1.271 532 W CB -0.690 28.845 29.460 0.125 0.000 1.126 532 W HN 0.041 nan 8.180 nan 0.000 0.535 533 N N -0.987 117.826 118.700 0.188 0.000 2.415 533 N HA 0.071 4.815 4.740 0.006 0.000 0.174 533 N C 1.593 177.134 175.510 0.053 0.000 1.048 533 N CA 0.411 53.528 53.050 0.112 0.000 0.895 533 N CB 0.075 38.633 38.487 0.117 0.000 1.036 533 N HN 0.064 nan 8.380 nan 0.000 0.449 534 R N -0.881 119.650 120.500 0.052 0.000 2.194 534 R HA 0.178 4.522 4.340 0.006 0.000 0.194 534 R C 1.207 177.533 176.300 0.043 0.000 0.985 534 R CA 0.155 56.286 56.100 0.051 0.000 1.104 534 R CB -0.126 30.225 30.300 0.085 0.000 1.092 534 R HN 0.057 nan 8.270 nan 0.000 0.555 535 F N 1.346 121.200 119.950 -0.160 0.000 2.123 535 F HA 0.050 4.581 4.527 0.006 0.000 0.289 535 F C 1.910 177.532 175.800 -0.296 0.000 1.099 535 F CA 0.811 58.681 58.000 -0.216 0.000 1.234 535 F CB -0.379 38.486 39.000 -0.224 0.000 1.034 535 F HN -0.145 nan 8.300 nan 0.000 0.479 536 L N 0.977 121.872 121.223 -0.547 0.000 2.013 536 L HA -0.172 4.171 4.340 0.006 0.000 0.212 536 L C -0.877 175.762 176.870 -0.385 0.000 1.073 536 L CA 2.148 56.633 54.840 -0.591 0.000 0.753 536 L CB -1.543 40.202 42.059 -0.523 0.000 0.890 536 L HN 0.055 nan 8.230 nan 0.000 0.432 537 P HA -0.189 nan 4.420 nan 0.000 0.215 537 P C 1.264 178.441 177.300 -0.204 0.000 1.153 537 P CA 1.592 64.594 63.100 -0.164 0.000 0.853 537 P CB -0.032 31.610 31.700 -0.096 0.000 0.788 538 K N -0.859 119.384 120.400 -0.262 0.000 2.057 538 K HA -0.144 4.180 4.320 0.006 0.000 0.207 538 K C 1.981 178.383 176.600 -0.330 0.000 1.049 538 K CA 1.091 57.221 56.287 -0.260 0.000 0.931 538 K CB -0.997 31.357 32.500 -0.243 0.000 0.714 538 K HN 0.055 nan 8.250 nan 0.000 0.440 539 L N 1.420 122.312 121.223 -0.550 0.000 2.079 539 L HA -0.132 4.212 4.340 0.006 0.000 0.210 539 L C 1.768 178.487 176.870 -0.251 0.000 1.081 539 L CA 1.563 56.120 54.840 -0.471 0.000 0.752 539 L CB -0.262 41.407 42.059 -0.651 0.000 0.896 539 L HN 0.129 nan 8.230 nan 0.000 0.433 540 L N -1.379 119.712 121.223 -0.221 0.000 2.478 540 L HA 0.019 4.363 4.340 0.006 0.000 0.223 540 L C 1.191 178.001 176.870 -0.101 0.000 1.140 540 L CA 0.200 54.961 54.840 -0.132 0.000 0.842 540 L CB -0.280 41.715 42.059 -0.107 0.000 0.953 540 L HN 0.073 nan 8.230 nan 0.000 0.452 541 S N 0.632 116.264 115.700 -0.114 0.000 2.849 541 S HA 0.601 5.075 4.470 0.006 0.000 0.244 541 S C 0.217 174.774 174.600 -0.073 0.000 1.297 541 S CA 0.109 58.260 58.200 -0.082 0.000 1.241 541 S CB -0.070 63.083 63.200 -0.078 0.000 0.958 541 S HN 0.392 nan 8.310 nan 0.000 0.489 542 A N 0.000 122.779 122.820 -0.069 0.000 2.254 542 A HA 0.000 4.324 4.320 0.006 0.000 0.244 542 A CA 0.000 52.006 52.037 -0.052 0.000 0.836 542 A CB 0.000 18.965 19.000 -0.058 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486