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 1qfm_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLSFQYPDVY RDETAIQDYH GHKVXDPYAW LEDPDSEQTK AFVEAQNKIT DATA SEQUENCE VPFLEQXPIR GLYKERMTEL YDYPKYSCHF KKGKRYFYFY NTGLQNQRVL DATA SEQUENCE YVQDSLEGEA RVFLDPNILS DDGTVALRGY AFSEDGEYFA YGLSASGSDW DATA SEQUENCE VTIKFMKVDG AKELPDVLER VKFSXMAWTH DGKGMFYNAY PQQDGKSDGT DATA SEQUENCE ETSTNLHQKL YYHVLGTDQS EDILCAEFPD EPKWMGGAEL SDDGRYVLLS DATA SEQUENCE IREGXDPVNR LWYCDLQQES NGITGILKWV KLIDNFEGEY DYVTNEGTVF DATA SEQUENCE TFKTNRHSPN YRLINIDFTD PEESKWKVLV PEHEKDVLEW VACVRSNFLV DATA SEQUENCE LCYLHDVKNT LQLHDLATGA LLKIFPLEVG SVVGYSGQKK DTEIFYQFTS DATA SEQUENCE FLSPGIIYHC DLTKEELEPR VFREVTVKGI DASDYQTVQI FYPSKDGTKI DATA SEQUENCE PMFIVHKKGI KLDGSHPAFL YGYGGFNISI TPNYSVSRLI FVRHMGGVLA DATA SEQUENCE VANIRGGGEY GETWHKGGIL ANKQNCFDDF QCAAEYLIKE GYTSPKRLTI DATA SEQUENCE NGGSNGGLLV ATCANQRPDL FGCVIAQVGV MDMLKFHKYT IGHAWTTDYG DATA SEQUENCE XSDSKQHFEW LIKYSPLHNV KLPEADDIQY PSMLLLTADH DDRVVPLHSL DATA SEQUENCE KFIATLQYIV GRSRKQNNPL LIHVDTKAGH GAGKPTAKVI EEVSDMFAFI DATA SEQUENCE ARCLNIDWIP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.352 176.300 0.087 0.000 1.140 1 M CA 0.000 55.351 55.300 0.085 0.000 0.988 1 M CB 0.000 32.695 32.600 0.159 0.000 1.302 2 L N 2.044 123.180 121.223 -0.145 0.000 2.375 2 L HA 0.332 4.672 4.340 0.001 0.000 0.276 2 L C 0.781 177.334 176.870 -0.528 0.000 1.162 2 L CA 0.546 55.028 54.840 -0.596 0.000 0.991 2 L CB 0.621 42.208 42.059 -0.787 0.000 1.315 2 L HN 0.125 nan 8.230 nan 0.000 0.431 3 S N 2.108 117.652 115.700 -0.261 0.000 2.631 3 S HA 0.205 4.675 4.470 0.001 0.000 0.217 3 S C 0.152 174.724 174.600 -0.048 0.000 0.958 3 S CA -0.209 57.935 58.200 -0.093 0.000 0.920 3 S CB -0.507 62.725 63.200 0.053 0.000 0.776 3 S HN 0.454 nan 8.310 nan 0.000 0.517 4 F N 1.201 121.113 119.950 -0.063 0.000 2.618 4 F HA 0.752 5.279 4.527 0.001 0.000 0.332 4 F C -0.479 175.200 175.800 -0.202 0.000 1.061 4 F CA -1.589 56.351 58.000 -0.101 0.000 0.974 4 F CB 0.826 39.774 39.000 -0.086 0.000 1.310 4 F HN -0.061 nan 8.300 nan 0.000 0.491 5 Q N 0.520 120.363 119.800 0.072 0.000 2.365 5 Q HA 0.447 4.787 4.340 0.001 0.000 0.269 5 Q C -1.882 174.151 176.000 0.055 0.000 1.061 5 Q CA -0.888 54.882 55.803 -0.055 0.000 0.816 5 Q CB 2.015 30.748 28.738 -0.009 0.000 1.325 5 Q HN 0.826 nan 8.270 nan 0.000 0.446 6 Y N 1.819 122.215 120.300 0.161 0.000 2.511 6 Y HA 0.147 4.697 4.550 0.001 0.000 0.332 6 Y C -1.721 174.222 175.900 0.072 0.000 1.177 6 Y CA -1.490 56.679 58.100 0.114 0.000 1.422 6 Y CB 0.273 38.782 38.460 0.082 0.000 1.271 6 Y HN 0.504 nan 8.280 nan 0.000 0.550 7 P HA -0.020 nan 4.420 nan 0.000 0.267 7 P C -1.208 176.193 177.300 0.168 0.000 1.200 7 P CA -0.058 63.114 63.100 0.119 0.000 0.772 7 P CB 0.566 32.271 31.700 0.009 0.000 0.855 8 D N 0.703 121.204 120.400 0.168 0.000 2.351 8 D HA 0.274 4.915 4.640 0.001 0.000 0.251 8 D C -0.588 175.872 176.300 0.266 0.000 1.137 8 D CA 0.314 54.437 54.000 0.205 0.000 0.879 8 D CB 0.392 41.294 40.800 0.170 0.000 1.181 8 D HN -0.063 nan 8.370 nan 0.000 0.448 9 V N 3.402 123.513 119.914 0.329 0.000 2.525 9 V HA 0.135 4.255 4.120 0.001 0.000 0.299 9 V C -0.737 175.664 176.094 0.512 0.000 1.034 9 V CA -1.075 61.517 62.300 0.487 0.000 0.863 9 V CB 1.023 33.135 31.823 0.482 0.000 0.999 9 V HN 0.476 nan 8.190 nan 0.000 0.423 10 Y N 5.409 125.942 120.300 0.388 0.000 2.712 10 Y HA 0.226 4.776 4.550 0.001 0.000 0.333 10 Y C 0.737 176.863 175.900 0.378 0.000 1.225 10 Y CA 0.194 58.425 58.100 0.217 0.000 1.499 10 Y CB 0.413 38.806 38.460 -0.111 0.000 1.288 10 Y HN 0.551 nan 8.280 nan 0.000 0.575 11 R N 4.748 124.850 120.500 -0.664 0.000 2.246 11 R HA 0.115 4.455 4.340 0.001 0.000 0.332 11 R C -1.144 174.615 176.300 -0.901 0.000 0.974 11 R CA -0.805 54.892 56.100 -0.672 0.000 0.837 11 R CB 0.582 30.502 30.300 -0.635 0.000 1.145 11 R HN 0.607 nan 8.270 nan 0.000 0.467 12 D N 3.145 123.290 120.400 -0.425 0.000 2.435 12 D HA -0.002 4.638 4.640 0.001 0.000 0.230 12 D C 0.268 176.468 176.300 -0.168 0.000 1.215 12 D CA 0.059 53.963 54.000 -0.161 0.000 0.947 12 D CB 0.623 41.524 40.800 0.168 0.000 1.048 12 D HN 0.478 nan 8.370 nan 0.000 0.512 13 E N 1.198 121.282 120.200 -0.194 0.000 2.511 13 E HA -0.063 4.287 4.350 0.001 0.000 0.196 13 E C 1.292 177.858 176.600 -0.056 0.000 1.066 13 E CA 0.468 56.788 56.400 -0.132 0.000 0.871 13 E CB 0.167 29.788 29.700 -0.132 0.000 0.863 13 E HN 0.538 nan 8.360 nan 0.000 0.520 14 T N -2.414 112.125 114.554 -0.025 0.000 3.044 14 T HA 0.224 4.574 4.350 0.001 0.000 0.250 14 T C 1.181 175.884 174.700 0.006 0.000 1.081 14 T CA -0.031 62.069 62.100 -0.000 0.000 1.040 14 T CB 0.326 69.205 68.868 0.018 0.000 0.962 14 T HN 0.053 nan 8.240 nan 0.000 0.506 15 A N 1.992 124.815 122.820 0.006 0.000 2.981 15 A HA 0.580 4.901 4.320 0.001 0.000 0.280 15 A C 0.017 177.615 177.584 0.022 0.000 1.743 15 A CA -0.432 51.616 52.037 0.020 0.000 1.430 15 A CB -1.196 17.822 19.000 0.029 0.000 1.085 15 A HN 0.684 nan 8.150 nan 0.000 0.597 16 I N 1.207 121.789 120.570 0.020 0.000 2.406 16 I HA 0.299 4.470 4.170 0.001 0.000 0.290 16 I C -0.099 176.027 176.117 0.015 0.000 0.999 16 I CA -0.268 61.052 61.300 0.033 0.000 1.124 16 I CB 1.929 39.943 38.000 0.022 0.000 1.289 16 I HN 0.536 nan 8.210 nan 0.000 0.441 17 Q N 3.847 123.671 119.800 0.039 0.000 2.353 17 Q HA 0.344 4.684 4.340 0.001 0.000 0.268 17 Q C -1.405 174.550 176.000 -0.074 0.000 1.045 17 Q CA -0.900 54.863 55.803 -0.067 0.000 0.811 17 Q CB 3.065 31.727 28.738 -0.128 0.000 1.305 17 Q HN 0.514 nan 8.270 nan 0.000 0.447 18 D N 0.963 121.239 120.400 -0.206 0.000 2.280 18 D HA 0.193 4.833 4.640 0.001 0.000 0.243 18 D C -1.516 174.528 176.300 -0.426 0.000 1.129 18 D CA -0.108 53.779 54.000 -0.188 0.000 0.848 18 D CB 0.513 41.215 40.800 -0.163 0.000 1.107 18 D HN 0.318 nan 8.370 nan 0.000 0.471 19 Y N 4.114 124.174 120.300 -0.399 0.000 2.712 19 Y HA 0.238 4.788 4.550 0.001 0.000 0.328 19 Y C 0.002 175.451 175.900 -0.753 0.000 0.995 19 Y CA -0.676 56.945 58.100 -0.798 0.000 1.283 19 Y CB 0.281 38.036 38.460 -1.176 0.000 1.092 19 Y HN 0.568 nan 8.280 nan 0.000 0.519 20 H N 1.433 120.347 119.070 -0.261 0.000 2.791 20 H HA -0.225 4.331 4.556 0.001 0.000 0.302 20 H C 1.434 176.703 175.328 -0.098 0.000 1.198 20 H CA 1.014 56.956 56.048 -0.176 0.000 1.145 20 H CB -1.468 28.184 29.762 -0.184 0.000 1.385 20 H HN 1.053 nan 8.280 nan 0.000 0.409 21 G N -0.546 108.234 108.800 -0.034 0.000 2.234 21 G HA2 -0.321 3.640 3.960 0.001 0.000 0.235 21 G HA3 -0.321 3.640 3.960 0.001 0.000 0.235 21 G C 0.033 174.963 174.900 0.051 0.000 0.997 21 G CA 0.503 45.609 45.100 0.009 0.000 0.623 21 G HN 0.858 nan 8.290 nan 0.000 0.514 22 H N 1.937 120.984 119.070 -0.038 0.000 2.761 22 H HA 0.551 5.107 4.556 0.001 0.000 0.284 22 H C 0.153 175.512 175.328 0.052 0.000 1.105 22 H CA -0.785 55.288 56.048 0.042 0.000 1.352 22 H CB 0.376 30.225 29.762 0.145 0.000 1.423 22 H HN -0.061 nan 8.280 nan 0.000 0.464 23 K N 4.486 125.018 120.400 0.221 0.000 2.322 23 K HA 0.200 4.521 4.320 0.001 0.000 0.283 23 K C -0.529 176.270 176.600 0.331 0.000 1.042 23 K CA -0.264 56.144 56.287 0.201 0.000 0.958 23 K CB 1.642 34.194 32.500 0.087 0.000 0.984 23 K HN 0.291 nan 8.250 nan 0.000 0.473 27 P HA -0.139 nan 4.420 nan 0.000 0.223 27 P C 0.540 177.515 177.300 -0.542 0.000 1.144 27 P CA 0.957 63.769 63.100 -0.480 0.000 0.783 27 P CB -0.057 31.186 31.700 -0.761 0.000 0.771 28 Y N -1.293 118.889 120.300 -0.197 0.000 2.658 28 Y HA 0.487 5.037 4.550 0.001 0.000 0.276 28 Y C 2.285 177.823 175.900 -0.602 0.000 1.167 28 Y CA -0.332 57.435 58.100 -0.554 0.000 1.230 28 Y CB -0.330 37.793 38.460 -0.563 0.000 1.144 28 Y HN -0.086 nan 8.280 nan 0.000 0.529 29 A N 1.391 124.108 122.820 -0.171 0.000 2.024 29 A HA -0.187 4.133 4.320 0.001 0.000 0.220 29 A C 1.858 179.405 177.584 -0.062 0.000 1.164 29 A CA 1.576 53.568 52.037 -0.075 0.000 0.643 29 A CB -0.920 18.102 19.000 0.036 0.000 0.806 29 A HN 0.864 nan 8.150 nan 0.000 0.451 30 W N -0.495 120.808 121.300 0.005 0.000 2.421 30 W HA -0.036 4.624 4.660 0.001 0.000 0.270 30 W C 0.962 177.451 176.519 -0.051 0.000 1.233 30 W CA 0.556 57.899 57.345 -0.003 0.000 1.226 30 W CB -1.058 28.423 29.460 0.034 0.000 1.121 30 W HN 0.232 nan 8.180 nan 0.000 0.579 31 L N 1.210 122.082 121.223 -0.585 0.000 2.633 31 L HA -0.083 4.257 4.340 0.001 0.000 0.235 31 L C 2.108 178.794 176.870 -0.306 0.000 1.163 31 L CA 1.036 55.529 54.840 -0.579 0.000 0.859 31 L CB -0.505 40.972 42.059 -0.969 0.000 0.973 31 L HN 0.004 nan 8.230 nan 0.000 0.451 32 E N -0.620 119.451 120.200 -0.215 0.000 2.418 32 E HA -0.131 4.220 4.350 0.001 0.000 0.197 32 E C 0.393 176.911 176.600 -0.138 0.000 1.026 32 E CA 0.249 56.520 56.400 -0.216 0.000 0.862 32 E CB 0.122 29.739 29.700 -0.138 0.000 0.799 32 E HN 0.219 nan 8.360 nan 0.000 0.518 33 D N 0.570 120.944 120.400 -0.044 0.000 2.428 33 D HA 0.037 4.677 4.640 0.001 0.000 0.221 33 D C -1.619 174.680 176.300 -0.003 0.000 1.123 33 D CA -2.559 51.441 54.000 0.000 0.000 0.869 33 D CB 1.192 42.027 40.800 0.059 0.000 1.032 33 D HN -0.107 nan 8.370 nan 0.000 0.506 34 P HA -0.046 nan 4.420 nan 0.000 0.223 34 P C 0.257 177.559 177.300 0.004 0.000 1.151 34 P CA 0.635 63.721 63.100 -0.024 0.000 0.787 34 P CB 0.670 32.339 31.700 -0.051 0.000 0.788 35 D N -0.131 120.276 120.400 0.012 0.000 2.354 35 D HA -0.003 4.637 4.640 0.001 0.000 0.209 35 D C 1.043 177.364 176.300 0.034 0.000 1.015 35 D CA 0.407 54.418 54.000 0.018 0.000 0.867 35 D CB 0.082 40.889 40.800 0.011 0.000 0.933 35 D HN 0.267 nan 8.370 nan 0.000 0.520 36 S N 0.829 116.561 115.700 0.053 0.000 2.579 36 S HA 0.053 4.523 4.470 0.001 0.000 0.275 36 S C 1.261 175.902 174.600 0.068 0.000 1.345 36 S CA -0.435 57.801 58.200 0.061 0.000 1.031 36 S CB 1.904 65.157 63.200 0.089 0.000 0.892 36 S HN -0.130 nan 8.310 nan 0.000 0.529 37 E N 1.737 121.964 120.200 0.044 0.000 2.110 37 E HA -0.151 4.199 4.350 0.001 0.000 0.193 37 E C 2.057 178.701 176.600 0.073 0.000 0.988 37 E CA 1.365 57.791 56.400 0.044 0.000 0.804 37 E CB -0.490 29.218 29.700 0.013 0.000 0.745 37 E HN 0.796 nan 8.360 nan 0.000 0.458 38 Q N -0.071 119.769 119.800 0.067 0.000 2.050 38 Q HA -0.087 4.254 4.340 0.001 0.000 0.202 38 Q C 2.253 178.462 176.000 0.349 0.000 0.980 38 Q CA 2.028 57.891 55.803 0.100 0.000 0.840 38 Q CB -0.591 28.083 28.738 -0.107 0.000 0.898 38 Q HN 0.180 nan 8.270 nan 0.000 0.424 39 T N 0.720 115.483 114.554 0.348 0.000 2.777 39 T HA -0.095 4.255 4.350 0.001 0.000 0.266 39 T C 1.516 176.370 174.700 0.256 0.000 1.040 39 T CA 1.176 63.462 62.100 0.311 0.000 1.141 39 T CB -0.101 68.862 68.868 0.159 0.000 0.868 39 T HN 0.209 nan 8.240 nan 0.000 0.444 40 K N 1.153 121.657 120.400 0.174 0.000 2.097 40 K HA 0.030 4.350 4.320 0.001 0.000 0.206 40 K C 2.630 179.317 176.600 0.144 0.000 1.049 40 K CA 1.190 57.555 56.287 0.130 0.000 0.933 40 K CB -0.240 32.309 32.500 0.083 0.000 0.717 40 K HN 0.278 nan 8.250 nan 0.000 0.442 41 A N 0.939 123.858 122.820 0.165 0.000 1.930 41 A HA -0.147 4.173 4.320 0.001 0.000 0.217 41 A C 1.953 179.652 177.584 0.191 0.000 1.175 41 A CA 0.930 53.054 52.037 0.146 0.000 0.627 41 A CB -0.596 18.480 19.000 0.127 0.000 0.815 41 A HN 0.359 nan 8.150 nan 0.000 0.443 42 F N 0.700 120.731 119.950 0.135 0.000 2.102 42 F HA -0.166 4.362 4.527 0.001 0.000 0.298 42 F C 2.190 178.022 175.800 0.053 0.000 1.105 42 F CA 2.078 60.154 58.000 0.128 0.000 1.239 42 F CB -0.267 38.837 39.000 0.172 0.000 0.991 42 F HN 0.028 nan 8.300 nan 0.000 0.474 43 V N 0.741 120.792 119.914 0.229 0.000 2.295 43 V HA -0.307 3.814 4.120 0.001 0.000 0.246 43 V C 2.268 178.341 176.094 -0.035 0.000 1.049 43 V CA 2.379 64.721 62.300 0.071 0.000 1.024 43 V CB -0.752 31.141 31.823 0.116 0.000 0.648 43 V HN 0.382 nan 8.190 nan 0.000 0.447 44 E N 0.247 120.451 120.200 0.007 0.000 2.051 44 E HA -0.216 4.134 4.350 0.001 0.000 0.192 44 E C 2.331 178.906 176.600 -0.042 0.000 0.991 44 E CA 1.370 57.767 56.400 -0.005 0.000 0.799 44 E CB -0.364 29.349 29.700 0.022 0.000 0.748 44 E HN 0.600 nan 8.360 nan 0.000 0.449 45 A N 1.190 123.971 122.820 -0.066 0.000 1.933 45 A HA -0.215 4.105 4.320 0.001 0.000 0.218 45 A C 2.110 179.601 177.584 -0.156 0.000 1.175 45 A CA 1.183 53.166 52.037 -0.090 0.000 0.628 45 A CB -0.240 18.715 19.000 -0.074 0.000 0.814 45 A HN 0.115 nan 8.150 nan 0.000 0.444 46 Q N -0.016 119.623 119.800 -0.268 0.000 2.049 46 Q HA -0.107 4.234 4.340 0.001 0.000 0.198 46 Q C 1.704 177.614 176.000 -0.150 0.000 0.971 46 Q CA 1.322 56.959 55.803 -0.277 0.000 0.833 46 Q CB -0.559 27.930 28.738 -0.415 0.000 0.896 46 Q HN 0.635 nan 8.270 nan 0.000 0.434 47 N N 0.986 119.633 118.700 -0.089 0.000 2.223 47 N HA -0.106 4.635 4.740 0.001 0.000 0.185 47 N C 1.514 177.015 175.510 -0.016 0.000 1.016 47 N CA 0.785 53.838 53.050 0.004 0.000 0.863 47 N CB -0.045 38.464 38.487 0.037 0.000 0.983 47 N HN 0.233 nan 8.380 nan 0.000 0.429 48 K N 0.714 121.088 120.400 -0.043 0.000 2.147 48 K HA -0.075 4.245 4.320 0.001 0.000 0.205 48 K C 2.001 178.558 176.600 -0.071 0.000 1.049 48 K CA 0.950 57.215 56.287 -0.037 0.000 0.936 48 K CB -0.075 32.409 32.500 -0.026 0.000 0.722 48 K HN 0.422 nan 8.250 nan 0.000 0.446 49 I N -2.770 117.713 120.570 -0.144 0.000 2.867 49 I HA -0.028 4.143 4.170 0.001 0.000 0.265 49 I C 1.805 177.703 176.117 -0.365 0.000 1.162 49 I CA 0.652 61.772 61.300 -0.300 0.000 1.471 49 I CB -0.409 37.308 38.000 -0.471 0.000 1.123 49 I HN -0.200 nan 8.210 nan 0.000 0.440 50 T N 1.711 116.123 114.554 -0.235 0.000 2.770 50 T HA -0.041 4.309 4.350 0.001 0.000 0.263 50 T C 2.126 176.802 174.700 -0.041 0.000 1.039 50 T CA 1.669 63.681 62.100 -0.148 0.000 1.142 50 T CB -0.265 68.549 68.868 -0.091 0.000 0.868 50 T HN 0.186 nan 8.240 nan 0.000 0.435 51 V N 2.368 122.253 119.914 -0.048 0.000 2.287 51 V HA -0.125 3.996 4.120 0.001 0.000 0.248 51 V C -0.493 175.594 176.094 -0.012 0.000 1.053 51 V CA 1.819 64.086 62.300 -0.055 0.000 1.027 51 V CB -1.579 30.226 31.823 -0.031 0.000 0.646 51 V HN 0.365 nan 8.190 nan 0.000 0.447 52 P HA -0.150 nan 4.420 nan 0.000 0.218 52 P C 1.687 179.023 177.300 0.060 0.000 1.149 52 P CA 1.273 64.389 63.100 0.027 0.000 0.817 52 P CB -0.110 31.613 31.700 0.038 0.000 0.785 53 F N 0.207 120.133 119.950 -0.040 0.000 2.134 53 F HA -0.142 4.385 4.527 0.001 0.000 0.299 53 F C 1.849 177.678 175.800 0.048 0.000 1.097 53 F CA 1.477 59.494 58.000 0.028 0.000 1.264 53 F CB -0.698 38.308 39.000 0.010 0.000 1.001 53 F HN -0.254 nan 8.300 nan 0.000 0.479 54 L N -0.320 120.982 121.223 0.132 0.000 2.156 54 L HA -0.123 4.217 4.340 0.001 0.000 0.208 54 L C 1.763 178.604 176.870 -0.048 0.000 1.095 54 L CA 1.342 56.213 54.840 0.052 0.000 0.770 54 L CB -0.560 41.523 42.059 0.040 0.000 0.914 54 L HN 0.165 nan 8.230 nan 0.000 0.439 55 E N -0.728 119.441 120.200 -0.052 0.000 2.474 55 E HA -0.009 4.342 4.350 0.001 0.000 0.195 55 E C 0.779 177.339 176.600 -0.067 0.000 1.039 55 E CA -0.282 56.084 56.400 -0.055 0.000 0.881 55 E CB 0.394 30.071 29.700 -0.039 0.000 0.970 55 E HN 0.407 nan 8.360 nan 0.000 0.486 59 I N 1.110 121.616 120.570 -0.107 0.000 2.194 59 I HA -0.207 3.964 4.170 0.001 0.000 0.246 59 I C 2.276 178.320 176.117 -0.121 0.000 1.093 59 I CA 1.952 63.181 61.300 -0.117 0.000 1.355 59 I CB 0.001 38.015 38.000 0.024 0.000 1.046 59 I HN 0.027 nan 8.210 nan 0.000 0.413 60 R N 0.037 120.499 120.500 -0.065 0.000 2.081 60 R HA -0.142 4.198 4.340 0.001 0.000 0.235 60 R C 2.312 178.585 176.300 -0.045 0.000 1.131 60 R CA 1.580 57.665 56.100 -0.025 0.000 0.960 60 R CB -0.842 29.442 30.300 -0.027 0.000 0.856 60 R HN 0.540 nan 8.270 nan 0.000 0.436 61 G N 0.724 109.462 108.800 -0.102 0.000 2.408 61 G HA2 -0.205 3.755 3.960 0.001 0.000 0.217 61 G HA3 -0.205 3.755 3.960 0.001 0.000 0.217 61 G C 1.448 176.223 174.900 -0.209 0.000 1.150 61 G CA 0.477 45.508 45.100 -0.116 0.000 0.776 61 G HN 0.223 nan 8.290 nan 0.000 0.542 62 L N -1.132 119.857 121.223 -0.391 0.000 2.017 62 L HA -0.067 4.273 4.340 0.001 0.000 0.208 62 L C 2.556 178.951 176.870 -0.791 0.000 1.073 62 L CA 1.323 55.713 54.840 -0.750 0.000 0.745 62 L CB -0.479 40.749 42.059 -1.385 0.000 0.894 62 L HN 0.302 nan 8.230 nan 0.000 0.432 63 Y N 0.817 120.696 120.300 -0.700 0.000 2.145 63 Y HA -0.312 4.238 4.550 0.001 0.000 0.286 63 Y C 2.786 178.635 175.900 -0.084 0.000 1.145 63 Y CA 1.905 59.846 58.100 -0.265 0.000 1.148 63 Y CB -0.000 38.457 38.460 -0.004 0.000 0.981 63 Y HN 0.003 nan 8.280 nan 0.000 0.507 64 K N 0.329 120.802 120.400 0.121 0.000 2.063 64 K HA -0.237 4.083 4.320 0.001 0.000 0.208 64 K C 1.870 178.463 176.600 -0.011 0.000 1.048 64 K CA 2.043 58.387 56.287 0.094 0.000 0.928 64 K CB -0.164 32.377 32.500 0.067 0.000 0.713 64 K HN 0.474 nan 8.250 nan 0.000 0.442 65 E N -0.109 120.049 120.200 -0.069 0.000 2.051 65 E HA -0.230 4.120 4.350 0.001 0.000 0.192 65 E C 2.183 178.752 176.600 -0.052 0.000 0.991 65 E CA 1.125 57.490 56.400 -0.059 0.000 0.799 65 E CB -0.060 29.588 29.700 -0.087 0.000 0.748 65 E HN 0.112 nan 8.360 nan 0.000 0.449 66 R N 0.685 121.127 120.500 -0.097 0.000 2.081 66 R HA -0.127 4.213 4.340 0.001 0.000 0.235 66 R C 2.135 178.386 176.300 -0.082 0.000 1.131 66 R CA 1.377 57.429 56.100 -0.080 0.000 0.960 66 R CB -0.376 29.879 30.300 -0.075 0.000 0.856 66 R HN 0.142 nan 8.270 nan 0.000 0.436 67 M N -0.434 119.071 119.600 -0.158 0.000 2.086 67 M HA -0.096 4.385 4.480 0.001 0.000 0.261 67 M C 1.690 178.034 176.300 0.072 0.000 1.067 67 M CA 2.066 57.319 55.300 -0.078 0.000 1.116 67 M CB -0.630 31.932 32.600 -0.062 0.000 1.348 67 M HN 0.133 nan 8.290 nan 0.000 0.407 68 T N 0.356 114.945 114.554 0.059 0.000 2.788 68 T HA -0.135 4.215 4.350 0.001 0.000 0.268 68 T C 1.634 176.396 174.700 0.104 0.000 1.044 68 T CA 1.816 63.973 62.100 0.095 0.000 1.139 68 T CB -0.280 68.623 68.868 0.058 0.000 0.867 68 T HN 0.543 nan 8.240 nan 0.000 0.454 69 E N 0.665 120.911 120.200 0.076 0.000 2.028 69 E HA 0.043 4.393 4.350 0.001 0.000 0.190 69 E C 2.232 178.905 176.600 0.122 0.000 0.984 69 E CA 0.755 57.203 56.400 0.080 0.000 0.800 69 E CB -0.178 29.556 29.700 0.056 0.000 0.758 69 E HN 0.375 nan 8.360 nan 0.000 0.448 70 L N -0.112 121.193 121.223 0.136 0.000 2.156 70 L HA -0.135 4.206 4.340 0.001 0.000 0.208 70 L C 2.334 179.405 176.870 0.335 0.000 1.095 70 L CA 0.762 55.713 54.840 0.186 0.000 0.770 70 L CB -0.245 41.897 42.059 0.138 0.000 0.914 70 L HN 0.201 nan 8.230 nan 0.000 0.439 71 Y N 0.571 120.987 120.300 0.192 0.000 2.561 71 Y HA -0.077 4.473 4.550 0.001 0.000 0.291 71 Y C 0.979 176.969 175.900 0.150 0.000 1.141 71 Y CA 0.080 58.328 58.100 0.247 0.000 1.303 71 Y CB -0.171 38.357 38.460 0.114 0.000 1.015 71 Y HN 0.083 nan 8.280 nan 0.000 0.547 72 D N 1.188 121.663 120.400 0.125 0.000 2.551 72 D HA 0.068 4.708 4.640 0.001 0.000 0.223 72 D C -1.290 175.048 176.300 0.064 0.000 1.144 72 D CA 0.135 54.134 54.000 -0.003 0.000 1.025 72 D CB -1.164 39.664 40.800 0.047 0.000 1.085 72 D HN 0.347 nan 8.370 nan 0.000 0.506 73 Y N -0.107 120.112 120.300 -0.134 0.000 2.534 73 Y HA 0.621 5.172 4.550 0.001 0.000 0.345 73 Y C -2.910 172.929 175.900 -0.102 0.000 1.031 73 Y CA -2.921 55.135 58.100 -0.073 0.000 1.022 73 Y CB 0.783 39.224 38.460 -0.032 0.000 1.292 73 Y HN -0.062 nan 8.280 nan 0.000 0.459 74 P HA 0.076 nan 4.420 nan 0.000 0.263 74 P C -1.293 176.008 177.300 0.002 0.000 1.195 74 P CA 0.145 63.251 63.100 0.009 0.000 0.762 74 P CB 0.921 32.782 31.700 0.269 0.000 0.799 75 K N 3.575 123.835 120.400 -0.233 0.000 2.394 75 K HA 0.411 4.732 4.320 0.001 0.000 0.260 75 K C -0.753 175.855 176.600 0.012 0.000 0.967 75 K CA -0.507 55.726 56.287 -0.090 0.000 0.855 75 K CB 1.191 33.536 32.500 -0.258 0.000 1.101 75 K HN 0.390 nan 8.250 nan 0.000 0.433 76 Y N 0.145 120.601 120.300 0.261 0.000 2.509 76 Y HA 0.289 4.839 4.550 0.001 0.000 0.341 76 Y C 0.712 176.782 175.900 0.284 0.000 1.038 76 Y CA -0.706 57.584 58.100 0.318 0.000 1.089 76 Y CB 2.052 40.636 38.460 0.206 0.000 1.241 76 Y HN 0.565 nan 8.280 nan 0.000 0.468 77 S N 0.603 116.624 115.700 0.535 0.000 2.722 77 S HA 0.657 5.128 4.470 0.001 0.000 0.292 77 S C -0.118 174.728 174.600 0.411 0.000 1.135 77 S CA -0.970 57.499 58.200 0.448 0.000 1.003 77 S CB 0.633 64.169 63.200 0.561 0.000 1.067 77 S HN 0.835 nan 8.310 nan 0.000 0.546 78 C N 0.720 120.220 119.300 0.333 0.000 2.595 78 C HA 0.602 5.062 4.460 0.001 0.000 0.384 78 C C 0.601 175.681 174.990 0.150 0.000 1.289 78 C CA -0.809 58.343 59.018 0.222 0.000 2.372 78 C CB -1.313 26.565 27.740 0.230 0.000 2.593 78 C HN 0.901 nan 8.230 nan 0.000 0.639 79 H N 0.479 119.220 119.070 -0.548 0.000 2.679 79 H HA 0.546 5.103 4.556 0.001 0.000 0.369 79 H C -0.128 174.988 175.328 -0.354 0.000 1.178 79 H CA 0.379 56.036 56.048 -0.650 0.000 1.419 79 H CB 0.333 29.237 29.762 -1.431 0.000 1.458 79 H HN 0.742 nan 8.280 nan 0.000 0.605 80 F N -1.321 118.586 119.950 -0.072 0.000 2.596 80 F HA 0.473 5.000 4.527 0.001 0.000 0.311 80 F C -0.966 174.841 175.800 0.012 0.000 1.116 80 F CA -1.252 56.756 58.000 0.013 0.000 0.957 80 F CB 1.264 40.289 39.000 0.042 0.000 1.250 80 F HN 0.259 nan 8.300 nan 0.000 0.444 81 K N 2.848 123.281 120.400 0.055 0.000 2.156 81 K HA 0.534 4.855 4.320 0.001 0.000 0.271 81 K C -1.172 175.342 176.600 -0.143 0.000 0.995 81 K CA -0.805 55.315 56.287 -0.279 0.000 0.890 81 K CB 0.956 33.169 32.500 -0.479 0.000 1.073 81 K HN 0.634 nan 8.250 nan 0.000 0.454 82 K N 2.532 122.795 120.400 -0.229 0.000 2.613 82 K HA 0.289 4.609 4.320 0.001 0.000 0.248 82 K C 0.027 176.521 176.600 -0.177 0.000 0.959 82 K CA -0.126 56.004 56.287 -0.262 0.000 0.855 82 K CB 1.397 33.432 32.500 -0.774 0.000 1.143 82 K HN 0.955 nan 8.250 nan 0.000 0.437 83 G N 3.867 112.590 108.800 -0.128 0.000 2.556 83 G HA2 -0.398 3.563 3.960 0.001 0.000 0.283 83 G HA3 -0.398 3.563 3.960 0.001 0.000 0.283 83 G C 0.254 175.073 174.900 -0.135 0.000 1.177 83 G CA 0.590 45.633 45.100 -0.096 0.000 0.978 83 G HN 0.641 nan 8.290 nan 0.000 0.554 84 K N 0.690 121.016 120.400 -0.123 0.000 2.446 84 K HA 0.433 4.753 4.320 0.001 0.000 0.203 84 K C 0.807 177.288 176.600 -0.198 0.000 1.027 84 K CA -0.008 56.197 56.287 -0.137 0.000 1.166 84 K CB 0.430 32.884 32.500 -0.078 0.000 0.869 84 K HN 0.523 nan 8.250 nan 0.000 0.504 85 R N 0.288 120.616 120.500 -0.286 0.000 2.854 85 R HA 0.384 4.724 4.340 0.001 0.000 0.271 85 R C -1.323 174.615 176.300 -0.605 0.000 0.994 85 R CA -0.866 54.987 56.100 -0.413 0.000 0.945 85 R CB 1.165 31.143 30.300 -0.536 0.000 1.194 85 R HN -0.008 nan 8.270 nan 0.000 0.476 86 Y N 0.494 120.462 120.300 -0.554 0.000 2.420 86 Y HA 0.492 5.042 4.550 0.001 0.000 0.334 86 Y C -0.409 174.909 175.900 -0.970 0.000 1.094 86 Y CA -0.354 57.443 58.100 -0.506 0.000 1.126 86 Y CB 1.272 39.610 38.460 -0.203 0.000 1.217 86 Y HN 0.350 nan 8.280 nan 0.000 0.462 87 F N 1.574 121.076 119.950 -0.747 0.000 2.603 87 F HA 0.630 5.157 4.527 0.001 0.000 0.317 87 F C -1.000 174.254 175.800 -0.911 0.000 1.066 87 F CA -1.413 55.974 58.000 -1.021 0.000 0.941 87 F CB 1.931 39.992 39.000 -1.565 0.000 1.291 87 F HN 0.417 nan 8.300 nan 0.000 0.472 88 Y N -0.989 118.981 120.300 -0.549 0.000 2.620 88 Y HA 0.677 5.227 4.550 0.001 0.000 0.331 88 Y C -2.186 173.658 175.900 -0.092 0.000 1.173 88 Y CA -2.218 55.711 58.100 -0.286 0.000 1.076 88 Y CB 0.659 38.831 38.460 -0.481 0.000 1.336 88 Y HN 0.401 nan 8.280 nan 0.000 0.459 89 F N 2.720 122.879 119.950 0.349 0.000 2.397 89 F HA 0.615 5.143 4.527 0.001 0.000 0.331 89 F C -0.561 175.494 175.800 0.425 0.000 1.090 89 F CA -0.478 57.702 58.000 0.300 0.000 1.065 89 F CB 1.442 40.597 39.000 0.258 0.000 1.184 89 F HN 0.615 nan 8.300 nan 0.000 0.499 90 Y N 2.843 123.354 120.300 0.351 0.000 2.482 90 Y HA 0.383 4.934 4.550 0.001 0.000 0.334 90 Y C -1.783 174.150 175.900 0.055 0.000 1.091 90 Y CA -1.480 56.664 58.100 0.073 0.000 1.027 90 Y CB 1.441 39.835 38.460 -0.109 0.000 1.306 90 Y HN 0.588 nan 8.280 nan 0.000 0.446 91 N N 2.872 121.171 118.700 -0.669 0.000 2.399 91 N HA 0.166 4.906 4.740 0.001 0.000 0.284 91 N C 0.455 175.352 175.510 -1.021 0.000 1.025 91 N CA 0.309 52.977 53.050 -0.636 0.000 0.885 91 N CB 2.054 40.338 38.487 -0.338 0.000 1.339 91 N HN 0.871 nan 8.380 nan 0.000 0.487 92 T N 0.271 114.277 114.554 -0.913 0.000 2.897 92 T HA 0.091 4.441 4.350 0.001 0.000 0.271 92 T C 1.158 175.644 174.700 -0.357 0.000 1.084 92 T CA 1.588 63.318 62.100 -0.616 0.000 1.123 92 T CB 0.097 68.803 68.868 -0.271 0.000 0.865 92 T HN 0.656 nan 8.240 nan 0.000 0.496 93 G N 0.795 109.373 108.800 -0.369 0.000 4.455 93 G HA2 0.057 4.017 3.960 0.001 0.000 0.182 93 G HA3 0.057 4.017 3.960 0.001 0.000 0.182 93 G C 0.548 175.270 174.900 -0.297 0.000 1.631 93 G CA -0.071 44.822 45.100 -0.345 0.000 0.878 93 G HN 0.424 nan 8.290 nan 0.000 0.295 94 L N 1.860 122.992 121.223 -0.151 0.000 3.014 94 L HA 0.382 4.722 4.340 0.001 0.000 0.263 94 L C 0.675 177.526 176.870 -0.030 0.000 1.207 94 L CA -0.155 54.659 54.840 -0.044 0.000 1.017 94 L CB 0.756 42.819 42.059 0.007 0.000 1.360 94 L HN 0.236 nan 8.230 nan 0.000 0.560 95 Q N 0.475 120.228 119.800 -0.079 0.000 2.361 95 Q HA 0.010 4.350 4.340 0.001 0.000 0.276 95 Q C 0.568 176.559 176.000 -0.016 0.000 1.022 95 Q CA -0.206 55.566 55.803 -0.053 0.000 0.898 95 Q CB 0.822 29.509 28.738 -0.085 0.000 1.246 95 Q HN 0.181 nan 8.270 nan 0.000 0.410 96 N N 0.864 119.564 118.700 0.000 0.000 2.166 96 N HA -0.118 4.622 4.740 0.001 0.000 0.186 96 N C -0.173 175.349 175.510 0.020 0.000 1.019 96 N CA 1.300 54.361 53.050 0.018 0.000 0.856 96 N CB 0.340 38.836 38.487 0.015 0.000 0.993 96 N HN 0.489 nan 8.380 nan 0.000 0.426 97 Q N 0.319 120.125 119.800 0.010 0.000 2.372 97 Q HA 0.249 4.589 4.340 0.001 0.000 0.273 97 Q C -0.357 175.654 176.000 0.017 0.000 1.078 97 Q CA -0.577 55.238 55.803 0.020 0.000 0.806 97 Q CB 2.746 31.501 28.738 0.029 0.000 1.332 97 Q HN 0.336 nan 8.270 nan 0.000 0.435 98 R N -0.472 120.050 120.500 0.037 0.000 2.641 98 R HA 0.532 4.872 4.340 0.001 0.000 0.269 98 R C -0.444 175.958 176.300 0.170 0.000 1.074 98 R CA -0.441 55.706 56.100 0.078 0.000 1.133 98 R CB 0.253 30.617 30.300 0.107 0.000 1.029 98 R HN 0.198 nan 8.270 nan 0.000 0.488 99 V N 2.830 122.861 119.914 0.196 0.000 2.581 99 V HA 0.230 4.350 4.120 0.001 0.000 0.303 99 V C -0.392 175.763 176.094 0.101 0.000 1.041 99 V CA -1.125 61.235 62.300 0.099 0.000 0.907 99 V CB 1.506 33.292 31.823 -0.062 0.000 0.994 99 V HN 0.588 nan 8.190 nan 0.000 0.442 100 L N 5.378 126.521 121.223 -0.134 0.000 2.265 100 L HA 0.516 4.857 4.340 0.001 0.000 0.288 100 L C -0.923 175.675 176.870 -0.454 0.000 1.058 100 L CA 0.260 54.846 54.840 -0.424 0.000 0.809 100 L CB 0.216 42.001 42.059 -0.457 0.000 1.179 100 L HN 0.525 nan 8.230 nan 0.000 0.429 101 Y N 3.493 123.449 120.300 -0.573 0.000 2.534 101 Y HA 0.717 5.268 4.550 0.001 0.000 0.329 101 Y C -0.128 175.375 175.900 -0.663 0.000 1.154 101 Y CA -0.507 57.222 58.100 -0.620 0.000 1.192 101 Y CB 2.034 39.860 38.460 -1.056 0.000 1.275 101 Y HN 0.399 nan 8.280 nan 0.000 0.491 102 V N 2.660 122.337 119.914 -0.394 0.000 2.925 102 V HA 0.597 4.717 4.120 0.001 0.000 0.311 102 V C -1.765 174.089 176.094 -0.399 0.000 1.104 102 V CA -0.447 61.428 62.300 -0.709 0.000 0.954 102 V CB 2.008 33.307 31.823 -0.872 0.000 1.022 102 V HN 0.889 nan 8.190 nan 0.000 0.427 103 Q N 3.047 122.598 119.800 -0.415 0.000 2.340 103 Q HA 0.494 4.835 4.340 0.001 0.000 0.276 103 Q C -1.112 174.784 176.000 -0.173 0.000 1.048 103 Q CA -0.860 54.835 55.803 -0.180 0.000 0.832 103 Q CB 2.184 30.903 28.738 -0.033 0.000 1.373 103 Q HN 0.593 nan 8.270 nan 0.000 0.409 104 D N 1.111 121.447 120.400 -0.107 0.000 2.347 104 D HA 0.008 4.649 4.640 0.001 0.000 0.215 104 D C 0.120 176.436 176.300 0.028 0.000 0.976 104 D CA 1.245 55.202 54.000 -0.071 0.000 0.884 104 D CB 0.466 41.227 40.800 -0.065 0.000 0.915 104 D HN 0.632 nan 8.370 nan 0.000 0.526 105 S N -1.700 114.036 115.700 0.061 0.000 2.595 105 S HA 0.263 4.733 4.470 0.001 0.000 0.270 105 S C 0.557 175.116 174.600 -0.068 0.000 1.145 105 S CA -0.807 57.445 58.200 0.086 0.000 0.825 105 S CB 0.773 63.991 63.200 0.030 0.000 1.107 105 S HN -0.079 nan 8.310 nan 0.000 0.461 106 L N 0.775 121.845 121.223 -0.253 0.000 2.131 106 L HA -0.037 4.304 4.340 0.001 0.000 0.210 106 L C 2.301 179.070 176.870 -0.168 0.000 1.092 106 L CA 1.527 56.167 54.840 -0.333 0.000 0.759 106 L CB -0.471 41.351 42.059 -0.394 0.000 0.903 106 L HN 0.799 nan 8.230 nan 0.000 0.435 107 E N -0.273 119.858 120.200 -0.116 0.000 2.442 107 E HA 0.060 4.410 4.350 0.001 0.000 0.195 107 E C 1.137 177.692 176.600 -0.074 0.000 1.030 107 E CA 0.010 56.353 56.400 -0.095 0.000 0.869 107 E CB 0.130 29.787 29.700 -0.072 0.000 0.857 107 E HN 0.410 nan 8.360 nan 0.000 0.505 108 G N 1.587 110.352 108.800 -0.059 0.000 2.569 108 G HA2 -0.021 3.939 3.960 0.001 0.000 0.249 108 G HA3 -0.021 3.939 3.960 0.001 0.000 0.249 108 G C -0.452 174.425 174.900 -0.038 0.000 1.216 108 G CA -0.472 44.602 45.100 -0.042 0.000 0.845 108 G HN 0.065 nan 8.290 nan 0.000 0.568 109 E N -0.005 120.177 120.200 -0.030 0.000 2.344 109 E HA 0.428 4.778 4.350 0.001 0.000 0.270 109 E C 0.411 177.010 176.600 -0.001 0.000 1.021 109 E CA -0.488 55.901 56.400 -0.018 0.000 0.887 109 E CB 0.609 30.300 29.700 -0.015 0.000 0.997 109 E HN 0.543 nan 8.360 nan 0.000 0.429 110 A N 4.909 127.749 122.820 0.032 0.000 2.293 110 A HA 0.559 4.879 4.320 0.001 0.000 0.302 110 A C -0.414 177.239 177.584 0.115 0.000 1.119 110 A CA -0.591 51.493 52.037 0.079 0.000 0.823 110 A CB 0.634 19.739 19.000 0.175 0.000 1.097 110 A HN 0.801 nan 8.150 nan 0.000 0.491 111 R N 0.438 121.003 120.500 0.108 0.000 2.808 111 R HA 0.654 4.995 4.340 0.001 0.000 0.272 111 R C -1.631 174.655 176.300 -0.024 0.000 0.995 111 R CA -0.839 55.310 56.100 0.082 0.000 0.917 111 R CB 1.049 31.351 30.300 0.004 0.000 1.217 111 R HN 0.304 nan 8.270 nan 0.000 0.471 112 V N 2.792 122.601 119.914 -0.173 0.000 2.599 112 V HA -0.010 4.111 4.120 0.001 0.000 0.300 112 V C 0.307 176.254 176.094 -0.246 0.000 1.034 112 V CA 0.466 62.486 62.300 -0.467 0.000 1.115 112 V CB 0.284 31.881 31.823 -0.375 0.000 0.934 112 V HN 0.733 nan 8.190 nan 0.000 0.485 113 F N 5.534 125.216 119.950 -0.447 0.000 2.480 113 F HA 0.471 4.998 4.527 0.001 0.000 0.280 113 F C 0.276 175.877 175.800 -0.331 0.000 1.002 113 F CA 0.307 58.109 58.000 -0.329 0.000 1.325 113 F CB 0.576 39.400 39.000 -0.293 0.000 1.134 113 F HN 0.346 nan 8.300 nan 0.000 0.646 114 L N 1.423 122.392 121.223 -0.424 0.000 2.482 114 L HA 0.381 4.721 4.340 0.001 0.000 0.269 114 L C -1.800 174.910 176.870 -0.267 0.000 0.967 114 L CA -0.364 54.213 54.840 -0.439 0.000 0.851 114 L CB 1.174 42.963 42.059 -0.451 0.000 1.242 114 L HN 0.022 nan 8.230 nan 0.000 0.404 115 D N 6.271 126.535 120.400 -0.227 0.000 2.472 115 D HA 0.465 5.105 4.640 0.001 0.000 0.234 115 D C -2.042 174.208 176.300 -0.083 0.000 1.088 115 D CA -2.034 51.877 54.000 -0.148 0.000 0.882 115 D CB 2.069 42.776 40.800 -0.155 0.000 1.037 115 D HN 0.307 nan 8.370 nan 0.000 0.520 116 P HA -0.032 nan 4.420 nan 0.000 0.222 116 P C 1.080 178.380 177.300 0.000 0.000 1.147 116 P CA 0.468 63.570 63.100 0.004 0.000 0.790 116 P CB 0.348 32.074 31.700 0.043 0.000 0.780 117 N N 0.374 119.067 118.700 -0.012 0.000 2.205 117 N HA -0.126 4.615 4.740 0.001 0.000 0.186 117 N C 1.612 177.115 175.510 -0.013 0.000 1.015 117 N CA 1.248 54.291 53.050 -0.011 0.000 0.862 117 N CB -0.480 37.996 38.487 -0.018 0.000 0.986 117 N HN 0.344 nan 8.380 nan 0.000 0.429 118 I N -1.836 118.721 120.570 -0.022 0.000 3.564 118 I HA 0.038 4.208 4.170 0.001 0.000 0.294 118 I C 1.246 177.358 176.117 -0.010 0.000 1.289 118 I CA 0.463 61.752 61.300 -0.020 0.000 1.325 118 I CB -0.271 37.710 38.000 -0.031 0.000 1.039 118 I HN -0.066 nan 8.210 nan 0.000 0.474 119 L N 1.186 122.408 121.223 -0.002 0.000 2.558 119 L HA 0.215 4.555 4.340 0.001 0.000 0.225 119 L C 0.653 177.527 176.870 0.007 0.000 1.128 119 L CA 0.130 54.975 54.840 0.009 0.000 0.868 119 L CB -0.347 41.727 42.059 0.026 0.000 1.006 119 L HN 0.555 nan 8.230 nan 0.000 0.454 120 S N -3.760 111.942 115.700 0.003 0.000 2.567 120 S HA 0.255 4.725 4.470 0.001 0.000 0.270 120 S C -0.241 174.359 174.600 0.000 0.000 1.152 120 S CA -0.818 57.383 58.200 0.001 0.000 0.835 120 S CB 1.735 64.935 63.200 0.001 0.000 1.115 120 S HN -0.121 nan 8.310 nan 0.000 0.459 121 D N 0.933 121.333 120.400 0.000 0.000 2.149 121 D HA 0.021 4.661 4.640 0.001 0.000 0.201 121 D C 0.931 177.233 176.300 0.003 0.000 0.972 121 D CA 1.862 55.863 54.000 0.001 0.000 0.835 121 D CB -0.042 40.759 40.800 0.002 0.000 0.966 121 D HN 0.782 nan 8.370 nan 0.000 0.476 122 D N -1.764 118.638 120.400 0.002 0.000 2.402 122 D HA 0.201 4.841 4.640 0.001 0.000 0.216 122 D C 1.228 177.531 176.300 0.005 0.000 1.128 122 D CA 0.230 54.233 54.000 0.004 0.000 0.833 122 D CB -0.149 40.653 40.800 0.004 0.000 0.971 122 D HN 0.098 nan 8.370 nan 0.000 0.503 123 G N 0.921 109.724 108.800 0.005 0.000 2.198 123 G HA2 -0.329 3.631 3.960 0.001 0.000 0.260 123 G HA3 -0.329 3.631 3.960 0.001 0.000 0.260 123 G C 0.907 175.811 174.900 0.007 0.000 1.025 123 G CA 0.917 46.022 45.100 0.008 0.000 0.769 123 G HN 0.608 nan 8.290 nan 0.000 0.507 124 T N -2.996 111.557 114.554 -0.002 0.000 3.144 124 T HA 0.499 4.849 4.350 0.001 0.000 0.249 124 T C 0.600 175.296 174.700 -0.007 0.000 1.089 124 T CA 0.407 62.500 62.100 -0.012 0.000 0.989 124 T CB 0.947 69.794 68.868 -0.036 0.000 0.992 124 T HN 0.570 nan 8.240 nan 0.000 0.540 125 V N 1.861 121.780 119.914 0.008 0.000 2.370 125 V HA 0.800 4.921 4.120 0.001 0.000 0.283 125 V C 0.105 176.223 176.094 0.040 0.000 1.023 125 V CA -0.868 61.446 62.300 0.023 0.000 0.857 125 V CB 0.751 32.590 31.823 0.026 0.000 0.985 125 V HN 0.662 nan 8.190 nan 0.000 0.443 126 A N 4.537 127.388 122.820 0.052 0.000 2.454 126 A HA 0.866 5.187 4.320 0.001 0.000 0.302 126 A C -0.998 176.645 177.584 0.098 0.000 1.079 126 A CA -0.773 51.304 52.037 0.067 0.000 0.731 126 A CB 1.556 20.587 19.000 0.052 0.000 1.299 126 A HN 0.822 nan 8.150 nan 0.000 0.413 127 L N 0.768 122.066 121.223 0.124 0.000 2.410 127 L HA 0.644 4.984 4.340 0.001 0.000 0.273 127 L C 0.274 177.232 176.870 0.147 0.000 1.152 127 L CA 0.638 55.587 54.840 0.182 0.000 0.855 127 L CB 0.402 42.601 42.059 0.234 0.000 1.129 127 L HN 0.685 nan 8.230 nan 0.000 0.463 128 R N 3.926 124.515 120.500 0.148 0.000 2.721 128 R HA 0.622 4.962 4.340 0.001 0.000 0.272 128 R C -0.623 175.741 176.300 0.106 0.000 1.721 128 R CA 0.284 56.448 56.100 0.107 0.000 1.325 128 R CB 0.525 30.867 30.300 0.070 0.000 1.271 128 R HN 1.114 nan 8.270 nan 0.000 0.556 129 G N 2.490 111.371 108.800 0.135 0.000 2.721 129 G HA2 -0.038 3.922 3.960 0.001 0.000 0.686 129 G HA3 -0.038 3.922 3.960 0.001 0.000 0.686 129 G C -1.443 173.555 174.900 0.163 0.000 1.236 129 G CA -0.271 44.868 45.100 0.064 0.000 0.786 129 G HN 0.941 nan 8.290 nan 0.000 0.616 130 Y N -2.502 117.823 120.300 0.041 0.000 2.702 130 Y HA 0.884 5.434 4.550 0.001 0.000 0.336 130 Y C -0.323 175.596 175.900 0.031 0.000 1.203 130 Y CA -1.030 57.036 58.100 -0.057 0.000 1.072 130 Y CB 0.826 39.299 38.460 0.022 0.000 1.327 130 Y HN 2.295 nan 8.280 nan 0.000 0.456 131 A N 1.905 124.827 122.820 0.170 0.000 2.491 131 A HA 0.706 5.026 4.320 0.001 0.000 0.293 131 A C -2.155 175.694 177.584 0.442 0.000 1.047 131 A CA -0.611 51.644 52.037 0.362 0.000 0.735 131 A CB 0.559 19.792 19.000 0.389 0.000 1.281 131 A HN 0.604 nan 8.150 nan 0.000 0.398 132 F N 1.809 121.997 119.950 0.397 0.000 2.377 132 F HA 0.507 5.034 4.527 0.001 0.000 0.328 132 F C 1.534 177.193 175.800 -0.235 0.000 1.094 132 F CA 0.428 58.531 58.000 0.172 0.000 1.093 132 F CB 1.725 40.792 39.000 0.112 0.000 1.214 132 F HN 0.679 nan 8.300 nan 0.000 0.518 133 S N 0.551 115.908 115.700 -0.572 0.000 2.589 133 S HA 0.029 4.500 4.470 0.001 0.000 0.265 133 S C 1.117 175.604 174.600 -0.188 0.000 1.342 133 S CA -0.492 57.209 58.200 -0.831 0.000 1.005 133 S CB 0.955 63.622 63.200 -0.887 0.000 0.909 133 S HN 0.719 nan 8.310 nan 0.000 0.555 134 E N 1.326 121.450 120.200 -0.126 0.000 2.130 134 E HA -0.229 4.121 4.350 0.001 0.000 0.196 134 E C 1.246 177.786 176.600 -0.101 0.000 0.998 134 E CA 2.070 58.364 56.400 -0.175 0.000 0.806 134 E CB -0.463 28.966 29.700 -0.452 0.000 0.738 134 E HN 0.868 nan 8.360 nan 0.000 0.459 135 D N -1.449 118.915 120.400 -0.061 0.000 2.349 135 D HA 0.064 4.704 4.640 0.001 0.000 0.224 135 D C 1.337 177.627 176.300 -0.017 0.000 1.029 135 D CA 0.833 54.819 54.000 -0.023 0.000 0.879 135 D CB -0.326 40.482 40.800 0.014 0.000 0.906 135 D HN 0.317 nan 8.370 nan 0.000 0.528 136 G N 0.463 109.257 108.800 -0.009 0.000 2.155 136 G HA2 -0.324 3.636 3.960 0.001 0.000 0.257 136 G HA3 -0.324 3.636 3.960 0.001 0.000 0.257 136 G C 0.885 175.833 174.900 0.081 0.000 0.983 136 G CA 0.453 45.574 45.100 0.035 0.000 0.676 136 G HN 0.384 nan 8.290 nan 0.000 0.528 137 E N -1.239 118.982 120.200 0.035 0.000 2.447 137 E HA 0.199 4.549 4.350 0.001 0.000 0.195 137 E C 0.235 176.679 176.600 -0.261 0.000 1.028 137 E CA 0.487 56.851 56.400 -0.061 0.000 0.876 137 E CB 0.284 29.960 29.700 -0.040 0.000 0.885 137 E HN 0.650 nan 8.360 nan 0.000 0.500 138 Y N -0.728 119.571 120.300 -0.002 0.000 2.536 138 Y HA 0.446 4.997 4.550 0.001 0.000 0.347 138 Y C -0.810 175.152 175.900 0.103 0.000 1.000 138 Y CA -1.281 56.838 58.100 0.032 0.000 1.051 138 Y CB 1.738 40.109 38.460 -0.148 0.000 1.259 138 Y HN -0.207 nan 8.280 nan 0.000 0.468 139 F N 1.832 121.940 119.950 0.264 0.000 2.557 139 F HA 0.834 5.361 4.527 0.001 0.000 0.316 139 F C -1.274 174.708 175.800 0.302 0.000 1.141 139 F CA -0.899 57.144 58.000 0.071 0.000 0.922 139 F CB 1.093 40.022 39.000 -0.119 0.000 1.194 139 F HN 0.515 nan 8.300 nan 0.000 0.443 140 A N 5.687 128.332 122.820 -0.292 0.000 2.330 140 A HA 0.779 5.099 4.320 0.001 0.000 0.327 140 A C -2.004 175.072 177.584 -0.847 0.000 1.155 140 A CA -0.509 51.098 52.037 -0.716 0.000 0.803 140 A CB 0.638 19.237 19.000 -0.668 0.000 1.208 140 A HN 0.999 nan 8.150 nan 0.000 0.477 141 Y N -0.440 119.348 120.300 -0.854 0.000 2.513 141 Y HA 0.731 5.282 4.550 0.001 0.000 0.340 141 Y C 0.113 175.840 175.900 -0.289 0.000 1.055 141 Y CA -0.911 56.868 58.100 -0.535 0.000 1.020 141 Y CB 0.999 39.163 38.460 -0.493 0.000 1.301 141 Y HN 0.821 nan 8.280 nan 0.000 0.453 142 G N 3.358 112.108 108.800 -0.083 0.000 2.367 142 G HA2 0.616 4.576 3.960 0.001 0.000 0.314 142 G HA3 0.616 4.576 3.960 0.001 0.000 0.314 142 G C -1.499 173.417 174.900 0.027 0.000 1.130 142 G CA -0.989 44.054 45.100 -0.094 0.000 0.864 142 G HN 0.738 nan 8.290 nan 0.000 0.486 143 L N 1.265 122.480 121.223 -0.014 0.000 2.362 143 L HA 0.488 4.829 4.340 0.001 0.000 0.275 143 L C -0.093 176.804 176.870 0.044 0.000 0.998 143 L CA -0.646 54.225 54.840 0.051 0.000 0.820 143 L CB 2.328 44.413 42.059 0.043 0.000 1.270 143 L HN 0.422 nan 8.230 nan 0.000 0.415 144 S N 1.645 117.381 115.700 0.060 0.000 2.482 144 S HA 0.787 5.257 4.470 0.001 0.000 0.303 144 S C -0.379 174.251 174.600 0.049 0.000 1.091 144 S CA -0.591 57.648 58.200 0.064 0.000 1.057 144 S CB 2.004 65.243 63.200 0.064 0.000 1.031 144 S HN 0.655 nan 8.310 nan 0.000 0.485 145 A N 1.477 124.325 122.820 0.047 0.000 2.317 145 A HA 0.736 5.056 4.320 0.001 0.000 0.327 145 A C 0.631 178.189 177.584 -0.043 0.000 1.178 145 A CA -0.589 51.451 52.037 0.006 0.000 0.817 145 A CB 0.281 19.284 19.000 0.005 0.000 1.189 145 A HN 1.171 nan 8.150 nan 0.000 0.489 146 S N 0.675 116.310 115.700 -0.108 0.000 3.521 146 S HA -0.177 4.293 4.470 0.001 0.000 0.328 146 S C 1.412 175.942 174.600 -0.117 0.000 1.165 146 S CA 1.875 59.934 58.200 -0.235 0.000 0.941 146 S CB -1.563 61.227 63.200 -0.683 0.000 0.951 146 S HN 2.812 nan 8.310 nan 0.000 0.539 147 G N -0.079 108.715 108.800 -0.009 0.000 2.179 147 G HA2 -0.314 3.646 3.960 0.001 0.000 0.260 147 G HA3 -0.314 3.646 3.960 0.001 0.000 0.260 147 G C 0.161 175.120 174.900 0.098 0.000 0.977 147 G CA 0.802 45.935 45.100 0.054 0.000 0.641 147 G HN 1.515 nan 8.290 nan 0.000 0.533 148 S N -0.195 115.574 115.700 0.116 0.000 2.579 148 S HA 0.367 4.837 4.470 0.001 0.000 0.275 148 S C 1.332 175.965 174.600 0.056 0.000 1.345 148 S CA 0.490 58.775 58.200 0.142 0.000 1.031 148 S CB 0.659 64.013 63.200 0.257 0.000 0.892 148 S HN 0.189 nan 8.310 nan 0.000 0.529 149 D N 2.157 122.515 120.400 -0.069 0.000 2.269 149 D HA 0.006 4.646 4.640 0.001 0.000 0.208 149 D C -0.041 176.094 176.300 -0.274 0.000 0.963 149 D CA 0.361 54.224 54.000 -0.229 0.000 0.864 149 D CB -0.022 40.508 40.800 -0.451 0.000 0.936 149 D HN 0.611 nan 8.370 nan 0.000 0.505 150 W N 0.785 122.021 121.300 -0.107 0.000 2.257 150 W HA 0.138 4.799 4.660 0.001 0.000 0.337 150 W C 0.287 176.771 176.519 -0.060 0.000 1.321 150 W CA -0.336 56.956 57.345 -0.088 0.000 1.267 150 W CB 0.626 30.060 29.460 -0.043 0.000 1.187 150 W HN -0.367 nan 8.180 nan 0.000 0.565 151 V N 2.901 122.968 119.914 0.255 0.000 2.823 151 V HA 0.474 4.595 4.120 0.001 0.000 0.312 151 V C -0.184 175.952 176.094 0.071 0.000 1.072 151 V CA -0.915 61.453 62.300 0.113 0.000 0.937 151 V CB 2.295 34.151 31.823 0.055 0.000 1.013 151 V HN 0.410 nan 8.190 nan 0.000 0.430 152 T N 5.089 119.634 114.554 -0.016 0.000 2.786 152 T HA 0.603 4.954 4.350 0.001 0.000 0.283 152 T C -0.330 174.252 174.700 -0.196 0.000 0.992 152 T CA -0.121 61.925 62.100 -0.090 0.000 0.954 152 T CB 0.723 69.539 68.868 -0.087 0.000 0.934 152 T HN 0.373 nan 8.240 nan 0.000 0.440 153 I N 3.795 124.206 120.570 -0.266 0.000 2.342 153 I HA 0.397 4.567 4.170 0.001 0.000 0.291 153 I C 0.493 176.314 176.117 -0.493 0.000 1.010 153 I CA -0.511 60.524 61.300 -0.441 0.000 1.308 153 I CB 0.929 38.642 38.000 -0.478 0.000 1.400 153 I HN 0.343 nan 8.210 nan 0.000 0.488 154 K N 5.177 125.088 120.400 -0.815 0.000 2.352 154 K HA 0.723 5.043 4.320 0.001 0.000 0.240 154 K C -1.391 174.781 176.600 -0.714 0.000 1.017 154 K CA -0.707 55.196 56.287 -0.640 0.000 0.851 154 K CB 2.163 34.236 32.500 -0.712 0.000 1.261 154 K HN 0.210 nan 8.250 nan 0.000 0.451 155 F N 0.598 120.478 119.950 -0.117 0.000 2.588 155 F HA 0.569 5.096 4.527 0.001 0.000 0.314 155 F C -0.306 175.698 175.800 0.340 0.000 1.069 155 F CA -0.791 57.313 58.000 0.173 0.000 0.931 155 F CB 1.849 40.957 39.000 0.181 0.000 1.260 155 F HN 0.174 nan 8.300 nan 0.000 0.465 156 M N 1.465 121.442 119.600 0.629 0.000 2.470 156 M HA 0.330 4.811 4.480 0.001 0.000 0.285 156 M C -1.097 175.450 176.300 0.413 0.000 1.213 156 M CA -0.789 54.782 55.300 0.450 0.000 0.901 156 M CB 3.034 35.834 32.600 0.334 0.000 1.718 156 M HN 0.478 nan 8.290 nan 0.000 0.469 157 K N 1.336 121.863 120.400 0.212 0.000 2.227 157 K HA 0.393 4.713 4.320 0.001 0.000 0.280 157 K C 0.300 176.909 176.600 0.015 0.000 1.041 157 K CA -0.335 55.880 56.287 -0.120 0.000 0.905 157 K CB 1.311 33.730 32.500 -0.134 0.000 1.068 157 K HN 0.608 nan 8.250 nan 0.000 0.470 158 V N 2.490 122.410 119.914 0.010 0.000 2.255 158 V HA -0.220 3.900 4.120 0.001 0.000 0.247 158 V C 0.737 176.928 176.094 0.161 0.000 1.051 158 V CA 1.682 64.120 62.300 0.230 0.000 1.018 158 V CB -0.545 31.368 31.823 0.150 0.000 0.641 158 V HN 0.895 nan 8.190 nan 0.000 0.445 159 D N 0.063 120.471 120.400 0.013 0.000 2.368 159 D HA 0.349 4.990 4.640 0.001 0.000 0.268 159 D C 1.053 177.366 176.300 0.023 0.000 1.298 159 D CA 1.133 55.136 54.000 0.005 0.000 0.938 159 D CB 0.103 40.885 40.800 -0.030 0.000 1.101 159 D HN 0.461 nan 8.370 nan 0.000 0.509 160 G N 3.126 111.949 108.800 0.040 0.000 2.175 160 G HA2 -0.126 3.834 3.960 0.001 0.000 0.244 160 G HA3 -0.126 3.834 3.960 0.001 0.000 0.244 160 G C 0.785 175.698 174.900 0.022 0.000 0.982 160 G CA 0.381 45.496 45.100 0.025 0.000 0.641 160 G HN 1.701 nan 8.290 nan 0.000 0.527 161 A N -1.140 121.718 122.820 0.064 0.000 2.560 161 A HA -0.088 4.232 4.320 0.001 0.000 0.299 161 A C 0.800 178.348 177.584 -0.060 0.000 1.484 161 A CA 2.096 54.103 52.037 -0.049 0.000 0.749 161 A CB -1.129 17.751 19.000 -0.199 0.000 1.072 161 A HN 0.976 nan 8.150 nan 0.000 0.426 162 K N 1.185 121.593 120.400 0.013 0.000 2.297 162 K HA 0.294 4.614 4.320 0.001 0.000 0.286 162 K C 0.329 176.978 176.600 0.082 0.000 1.053 162 K CA -0.081 56.229 56.287 0.038 0.000 0.940 162 K CB 0.631 33.165 32.500 0.056 0.000 1.019 162 K HN 0.713 nan 8.250 nan 0.000 0.475 163 E N 2.857 123.101 120.200 0.074 0.000 2.316 163 E HA 0.161 4.512 4.350 0.001 0.000 0.275 163 E C -0.097 176.587 176.600 0.141 0.000 1.029 163 E CA -0.188 56.284 56.400 0.120 0.000 0.871 163 E CB 0.711 30.463 29.700 0.086 0.000 1.022 163 E HN 0.273 nan 8.360 nan 0.000 0.418 164 L N 4.035 125.377 121.223 0.198 0.000 2.358 164 L HA 0.299 4.639 4.340 0.001 0.000 0.268 164 L C -1.561 175.380 176.870 0.119 0.000 1.032 164 L CA -1.901 53.044 54.840 0.174 0.000 0.805 164 L CB 0.800 43.006 42.059 0.244 0.000 1.253 164 L HN 0.399 nan 8.230 nan 0.000 0.452 165 P HA -0.015 nan 4.420 nan 0.000 0.225 165 P C -0.663 176.639 177.300 0.002 0.000 1.156 165 P CA 0.383 63.500 63.100 0.029 0.000 0.787 165 P CB 0.033 31.739 31.700 0.010 0.000 0.802 166 D N -0.135 120.251 120.400 -0.024 0.000 2.531 166 D HA 0.156 4.796 4.640 0.001 0.000 0.239 166 D C -0.298 175.986 176.300 -0.026 0.000 1.144 166 D CA 0.699 54.630 54.000 -0.116 0.000 0.869 166 D CB 0.244 40.782 40.800 -0.437 0.000 1.160 166 D HN -0.124 nan 8.370 nan 0.000 0.484 167 V N 3.657 123.493 119.914 -0.130 0.000 2.612 167 V HA 0.296 4.417 4.120 0.001 0.000 0.301 167 V C -0.441 175.513 176.094 -0.234 0.000 1.059 167 V CA -0.806 61.416 62.300 -0.129 0.000 0.886 167 V CB 1.549 33.312 31.823 -0.100 0.000 1.007 167 V HN 0.383 nan 8.190 nan 0.000 0.426 168 L N 4.648 125.708 121.223 -0.271 0.000 2.305 168 L HA 0.686 5.027 4.340 0.001 0.000 0.284 168 L C -0.070 176.671 176.870 -0.214 0.000 1.013 168 L CA -0.494 54.135 54.840 -0.353 0.000 0.819 168 L CB 1.719 43.392 42.059 -0.643 0.000 1.227 168 L HN 0.529 nan 8.230 nan 0.000 0.417 169 E N 2.341 122.456 120.200 -0.142 0.000 2.259 169 E HA 0.476 4.826 4.350 0.001 0.000 0.257 169 E C -0.117 176.486 176.600 0.006 0.000 0.998 169 E CA -0.866 55.486 56.400 -0.079 0.000 0.866 169 E CB 1.470 31.108 29.700 -0.103 0.000 1.220 169 E HN 0.381 nan 8.360 nan 0.000 0.415 170 R N -1.308 119.202 120.500 0.016 0.000 3.776 170 R HA -0.127 4.214 4.340 0.001 0.000 0.312 170 R C -0.488 176.087 176.300 0.458 0.000 1.181 170 R CA 0.223 56.409 56.100 0.144 0.000 0.836 170 R CB -2.080 28.287 30.300 0.111 0.000 1.324 170 R HN 0.159 nan 8.270 nan 0.000 0.501 171 V N 0.928 121.080 119.914 0.397 0.000 2.465 171 V HA 0.430 4.550 4.120 0.001 0.000 0.279 171 V C 0.367 176.678 176.094 0.361 0.000 1.045 171 V CA 0.012 62.538 62.300 0.376 0.000 0.938 171 V CB 1.668 33.620 31.823 0.215 0.000 0.986 171 V HN 0.174 nan 8.190 nan 0.000 0.467 172 K N 3.638 124.181 120.400 0.239 0.000 2.557 172 K HA 0.484 4.804 4.320 0.001 0.000 0.261 172 K C -0.686 175.895 176.600 -0.033 0.000 0.932 172 K CA -0.814 55.369 56.287 -0.173 0.000 0.829 172 K CB 1.114 33.186 32.500 -0.712 0.000 1.358 172 K HN 0.412 nan 8.250 nan 0.000 0.430 173 F N 0.320 120.332 119.950 0.103 0.000 2.943 173 F HA -0.288 4.240 4.527 0.001 0.000 0.258 173 F C 0.299 176.158 175.800 0.099 0.000 0.995 173 F CA 0.541 58.594 58.000 0.088 0.000 0.896 173 F CB -1.309 37.754 39.000 0.105 0.000 0.821 173 F HN 0.374 nan 8.300 nan 0.000 0.828 177 A N 2.720 125.735 122.820 0.326 0.000 2.429 177 A HA 0.779 5.099 4.320 0.001 0.000 0.289 177 A C -2.159 175.739 177.584 0.523 0.000 1.043 177 A CA -0.442 51.865 52.037 0.450 0.000 0.722 177 A CB 0.883 20.148 19.000 0.442 0.000 1.243 177 A HN 0.802 nan 8.150 nan 0.000 0.415 178 W N 2.092 123.628 121.300 0.394 0.000 2.261 178 W HA 0.478 5.138 4.660 0.001 0.000 0.323 178 W C 1.088 177.880 176.519 0.455 0.000 1.243 178 W CA 0.430 58.000 57.345 0.374 0.000 1.210 178 W CB 1.287 30.929 29.460 0.304 0.000 1.149 178 W HN 0.751 nan 8.180 nan 0.000 0.562 179 T N -1.241 113.709 114.554 0.660 0.000 2.918 179 T HA 0.058 4.409 4.350 0.001 0.000 0.302 179 T C 0.791 175.840 174.700 0.581 0.000 1.045 179 T CA -0.260 62.177 62.100 0.561 0.000 1.114 179 T CB 0.625 69.729 68.868 0.393 0.000 0.965 179 T HN 0.579 nan 8.240 nan 0.000 0.540 180 H N 0.693 119.934 119.070 0.285 0.000 2.545 180 H HA -0.061 4.496 4.556 0.001 0.000 0.282 180 H C 1.396 176.831 175.328 0.179 0.000 1.020 180 H CA 0.822 57.003 56.048 0.221 0.000 1.243 180 H CB 0.221 30.090 29.762 0.179 0.000 1.377 180 H HN 0.773 nan 8.280 nan 0.000 0.581 181 D N -0.332 120.245 120.400 0.294 0.000 2.363 181 D HA -0.010 4.631 4.640 0.001 0.000 0.226 181 D C 1.745 178.160 176.300 0.192 0.000 1.020 181 D CA 0.725 54.845 54.000 0.200 0.000 0.892 181 D CB -0.315 40.578 40.800 0.156 0.000 0.900 181 D HN 0.356 nan 8.370 nan 0.000 0.531 182 G N 1.048 110.002 108.800 0.256 0.000 2.155 182 G HA2 -0.445 3.515 3.960 0.001 0.000 0.257 182 G HA3 -0.445 3.515 3.960 0.001 0.000 0.257 182 G C 0.946 175.992 174.900 0.243 0.000 0.983 182 G CA 0.728 45.973 45.100 0.242 0.000 0.676 182 G HN 0.546 nan 8.290 nan 0.000 0.528 183 K N -0.079 120.461 120.400 0.233 0.000 2.103 183 K HA 0.348 4.668 4.320 0.001 0.000 0.204 183 K C 1.477 178.093 176.600 0.027 0.000 1.052 183 K CA 1.645 58.012 56.287 0.133 0.000 0.945 183 K CB -0.093 32.500 32.500 0.157 0.000 0.722 183 K HN 0.874 nan 8.250 nan 0.000 0.443 184 G N -0.358 108.472 108.800 0.051 0.000 2.561 184 G HA2 0.405 4.366 3.960 0.001 0.000 0.310 184 G HA3 0.405 4.366 3.960 0.001 0.000 0.310 184 G C -1.901 172.711 174.900 -0.480 0.000 1.292 184 G CA -0.728 44.080 45.100 -0.486 0.000 0.811 184 G HN 0.096 nan 8.290 nan 0.000 0.482 185 M N 0.147 119.263 119.600 -0.806 0.000 2.378 185 M HA 0.643 5.123 4.480 0.001 0.000 0.289 185 M C -1.634 174.579 176.300 -0.146 0.000 1.136 185 M CA -0.695 54.313 55.300 -0.486 0.000 0.917 185 M CB 2.019 34.088 32.600 -0.885 0.000 1.669 185 M HN 0.400 nan 8.290 nan 0.000 0.461 186 F N 4.093 124.203 119.950 0.266 0.000 2.389 186 F HA 0.525 5.052 4.527 0.001 0.000 0.337 186 F C -0.211 175.784 175.800 0.325 0.000 1.112 186 F CA 0.270 58.477 58.000 0.346 0.000 1.192 186 F CB 0.754 39.945 39.000 0.320 0.000 1.185 186 F HN 0.568 nan 8.300 nan 0.000 0.552 187 Y N -0.480 120.036 120.300 0.360 0.000 2.750 187 Y HA 0.526 5.077 4.550 0.001 0.000 0.335 187 Y C -2.027 174.027 175.900 0.258 0.000 1.252 187 Y CA -1.733 56.504 58.100 0.229 0.000 1.064 187 Y CB 0.945 39.480 38.460 0.125 0.000 1.321 187 Y HN 0.528 nan 8.280 nan 0.000 0.451 188 N N 0.584 119.364 118.700 0.134 0.000 2.370 188 N HA 0.849 5.589 4.740 0.001 0.000 0.303 188 N C -1.555 174.063 175.510 0.180 0.000 1.103 188 N CA -0.647 52.432 53.050 0.048 0.000 0.848 188 N CB 2.237 40.765 38.487 0.068 0.000 1.235 188 N HN 0.943 nan 8.380 nan 0.000 0.496 189 A N 1.028 123.940 122.820 0.153 0.000 2.572 189 A HA 0.585 4.906 4.320 0.001 0.000 0.295 189 A C -1.923 175.758 177.584 0.163 0.000 1.072 189 A CA -0.525 51.672 52.037 0.267 0.000 0.691 189 A CB 0.685 19.876 19.000 0.318 0.000 1.291 189 A HN 0.619 nan 8.150 nan 0.000 0.404 190 Y N 1.514 122.021 120.300 0.344 0.000 2.419 190 Y HA 0.528 5.078 4.550 0.001 0.000 0.328 190 Y C -1.696 174.363 175.900 0.265 0.000 1.162 190 Y CA -1.770 56.526 58.100 0.327 0.000 1.174 190 Y CB 1.350 40.051 38.460 0.401 0.000 1.228 190 Y HN 0.509 nan 8.280 nan 0.000 0.473 191 P HA -0.001 nan 4.420 nan 0.000 0.272 191 P C -1.017 176.400 177.300 0.195 0.000 1.240 191 P CA -0.463 62.783 63.100 0.243 0.000 0.791 191 P CB 0.780 32.598 31.700 0.196 0.000 0.978 192 Q N 0.531 120.395 119.800 0.107 0.000 2.349 192 Q HA 0.020 4.361 4.340 0.001 0.000 0.287 192 Q C 0.128 176.168 176.000 0.067 0.000 1.044 192 Q CA 0.985 56.820 55.803 0.054 0.000 0.918 192 Q CB 0.112 28.864 28.738 0.023 0.000 1.242 192 Q HN 0.402 nan 8.270 nan 0.000 0.405 193 Q N 0.807 120.631 119.800 0.040 0.000 2.421 193 Q HA 0.503 4.844 4.340 0.001 0.000 0.280 193 Q C -1.179 174.833 176.000 0.020 0.000 1.085 193 Q CA -1.134 54.700 55.803 0.052 0.000 0.807 193 Q CB 1.486 30.279 28.738 0.092 0.000 1.405 193 Q HN 0.345 nan 8.270 nan 0.000 0.419 194 D N 0.693 121.109 120.400 0.026 0.000 2.362 194 D HA 0.462 5.103 4.640 0.001 0.000 0.242 194 D C 0.813 177.121 176.300 0.014 0.000 1.132 194 D CA 1.775 55.783 54.000 0.014 0.000 0.907 194 D CB 0.922 41.733 40.800 0.018 0.000 1.195 194 D HN 0.936 nan 8.370 nan 0.000 0.429 195 G N 1.068 109.869 108.800 0.002 0.000 2.632 195 G HA2 -0.215 3.745 3.960 0.001 0.000 0.224 195 G HA3 -0.215 3.745 3.960 0.001 0.000 0.224 195 G C -0.479 174.411 174.900 -0.017 0.000 1.341 195 G CA -0.590 44.511 45.100 0.002 0.000 0.880 195 G HN 0.518 nan 8.290 nan 0.000 0.566 196 K N -0.465 119.928 120.400 -0.011 0.000 2.126 196 K HA 0.621 4.941 4.320 0.001 0.000 0.257 196 K C -0.038 176.534 176.600 -0.046 0.000 1.007 196 K CA 0.060 56.326 56.287 -0.035 0.000 0.928 196 K CB 1.136 33.627 32.500 -0.015 0.000 1.013 196 K HN 0.367 nan 8.250 nan 0.000 0.473 197 S N 1.639 117.242 115.700 -0.162 0.000 2.472 197 S HA 0.041 4.511 4.470 0.001 0.000 0.191 197 S C -0.765 173.560 174.600 -0.458 0.000 1.244 197 S CA -0.589 57.373 58.200 -0.397 0.000 1.227 197 S CB 0.005 62.680 63.200 -0.876 0.000 1.381 197 S HN 0.748 nan 8.310 nan 0.000 0.394 198 D N -0.258 120.134 120.400 -0.013 0.000 2.500 198 D HA 0.287 4.928 4.640 0.001 0.000 0.217 198 D C 1.241 177.751 176.300 0.350 0.000 1.159 198 D CA 0.511 54.588 54.000 0.127 0.000 0.828 198 D CB 0.083 40.939 40.800 0.094 0.000 1.039 198 D HN 0.498 nan 8.370 nan 0.000 0.512 199 G N 0.381 109.408 108.800 0.378 0.000 2.218 199 G HA2 -0.305 3.656 3.960 0.001 0.000 0.216 199 G HA3 -0.305 3.656 3.960 0.001 0.000 0.216 199 G C 1.148 176.079 174.900 0.052 0.000 0.994 199 G CA 0.623 45.891 45.100 0.280 0.000 0.637 199 G HN 0.583 nan 8.290 nan 0.000 0.505 200 T N -0.683 113.832 114.554 -0.066 0.000 3.044 200 T HA 0.367 4.717 4.350 0.001 0.000 0.250 200 T C 0.967 175.641 174.700 -0.044 0.000 1.081 200 T CA 1.016 63.017 62.100 -0.165 0.000 1.040 200 T CB 0.255 68.968 68.868 -0.258 0.000 0.962 200 T HN 0.778 nan 8.240 nan 0.000 0.506 201 E N 2.380 122.599 120.200 0.032 0.000 2.345 201 E HA 0.154 4.504 4.350 0.001 0.000 0.259 201 E C 0.394 177.031 176.600 0.063 0.000 1.117 201 E CA 0.034 56.466 56.400 0.053 0.000 0.913 201 E CB 1.139 30.895 29.700 0.094 0.000 1.057 201 E HN 0.297 nan 8.360 nan 0.000 0.432 202 T N -2.271 112.322 114.554 0.066 0.000 3.044 202 T HA 0.146 4.496 4.350 0.001 0.000 0.260 202 T C 0.180 174.987 174.700 0.179 0.000 1.019 202 T CA -0.410 61.748 62.100 0.097 0.000 0.921 202 T CB -0.152 68.729 68.868 0.022 0.000 1.053 202 T HN 0.284 nan 8.240 nan 0.000 0.533 203 S N 3.009 118.792 115.700 0.139 0.000 2.626 203 S HA 0.144 4.614 4.470 0.001 0.000 0.303 203 S C 0.565 175.227 174.600 0.103 0.000 1.256 203 S CA -0.030 58.244 58.200 0.124 0.000 1.069 203 S CB 0.462 63.734 63.200 0.120 0.000 0.807 203 S HN 0.581 nan 8.310 nan 0.000 0.500 204 T N 3.257 117.859 114.554 0.080 0.000 2.940 204 T HA 0.072 4.422 4.350 0.001 0.000 0.309 204 T C -0.006 174.734 174.700 0.066 0.000 1.056 204 T CA -0.294 61.846 62.100 0.066 0.000 1.137 204 T CB -0.284 68.609 68.868 0.042 0.000 0.976 204 T HN 0.628 nan 8.240 nan 0.000 0.547 205 N N 4.566 123.298 118.700 0.053 0.000 2.457 205 N HA 0.547 5.288 4.740 0.001 0.000 0.250 205 N C -0.855 174.789 175.510 0.224 0.000 0.982 205 N CA -0.468 52.537 53.050 -0.075 0.000 0.941 205 N CB 0.976 39.190 38.487 -0.456 0.000 1.120 205 N HN 0.440 nan 8.380 nan 0.000 0.505 206 L N 0.967 122.366 121.223 0.294 0.000 2.303 206 L HA 0.482 4.823 4.340 0.001 0.000 0.256 206 L C 0.015 177.142 176.870 0.429 0.000 1.034 206 L CA -0.992 54.001 54.840 0.256 0.000 0.832 206 L CB 1.467 43.534 42.059 0.013 0.000 1.403 206 L HN 0.656 nan 8.230 nan 0.000 0.419 207 H N -0.119 119.102 119.070 0.251 0.000 2.826 207 H HA -0.168 4.389 4.556 0.001 0.000 0.306 207 H C 0.159 175.553 175.328 0.110 0.000 1.235 207 H CA 0.517 56.670 56.048 0.175 0.000 1.150 207 H CB -0.826 29.020 29.762 0.139 0.000 1.409 207 H HN 0.584 nan 8.280 nan 0.000 0.420 208 Q N 1.146 120.982 119.800 0.060 0.000 2.337 208 Q HA 0.204 4.544 4.340 0.001 0.000 0.270 208 Q C -0.061 175.884 176.000 -0.092 0.000 1.002 208 Q CA 0.469 56.061 55.803 -0.352 0.000 0.888 208 Q CB 0.712 29.133 28.738 -0.528 0.000 1.222 208 Q HN 0.363 nan 8.270 nan 0.000 0.400 209 K N 2.593 122.911 120.400 -0.137 0.000 2.352 209 K HA 0.485 4.805 4.320 0.001 0.000 0.240 209 K C -1.308 175.121 176.600 -0.286 0.000 1.017 209 K CA -1.011 55.131 56.287 -0.242 0.000 0.851 209 K CB 1.286 33.572 32.500 -0.356 0.000 1.261 209 K HN 0.418 nan 8.250 nan 0.000 0.451 210 L N 1.863 122.856 121.223 -0.382 0.000 2.287 210 L HA 0.421 4.762 4.340 0.001 0.000 0.287 210 L C -1.657 174.986 176.870 -0.379 0.000 1.022 210 L CA -0.040 54.660 54.840 -0.234 0.000 0.814 210 L CB 0.331 42.354 42.059 -0.060 0.000 1.217 210 L HN 0.470 nan 8.230 nan 0.000 0.420 211 Y N 3.790 123.981 120.300 -0.181 0.000 2.598 211 Y HA 0.486 5.036 4.550 0.001 0.000 0.340 211 Y C -1.231 174.719 175.900 0.082 0.000 1.038 211 Y CA -0.380 57.630 58.100 -0.150 0.000 1.100 211 Y CB 1.823 40.000 38.460 -0.471 0.000 1.281 211 Y HN 0.507 nan 8.280 nan 0.000 0.488 212 Y N 1.557 121.986 120.300 0.216 0.000 2.326 212 Y HA 0.364 4.914 4.550 0.001 0.000 0.329 212 Y C -1.188 174.801 175.900 0.149 0.000 0.973 212 Y CA -1.200 56.913 58.100 0.022 0.000 1.162 212 Y CB 0.470 38.801 38.460 -0.214 0.000 1.147 212 Y HN 0.686 nan 8.280 nan 0.000 0.456 213 H N 4.784 123.640 119.070 -0.356 0.000 2.519 213 H HA 0.560 5.116 4.556 0.001 0.000 0.316 213 H C -1.334 173.569 175.328 -0.709 0.000 1.065 213 H CA -0.520 55.309 56.048 -0.365 0.000 1.264 213 H CB 0.956 30.560 29.762 -0.264 0.000 1.413 213 H HN 0.499 nan 8.280 nan 0.000 0.465 214 V N 7.325 126.637 119.914 -1.003 0.000 2.455 214 V HA 0.022 4.142 4.120 0.001 0.000 0.273 214 V C 0.267 175.760 176.094 -1.003 0.000 1.045 214 V CA -0.667 61.158 62.300 -0.792 0.000 0.976 214 V CB 0.504 32.091 31.823 -0.393 0.000 0.993 214 V HN 0.676 nan 8.190 nan 0.000 0.475 215 L N 5.500 126.302 121.223 -0.703 0.000 2.540 215 L HA 0.477 4.817 4.340 0.001 0.000 0.276 215 L C 1.182 177.829 176.870 -0.372 0.000 1.212 215 L CA 1.932 56.443 54.840 -0.550 0.000 0.893 215 L CB 0.359 42.231 42.059 -0.311 0.000 1.138 215 L HN 0.969 nan 8.230 nan 0.000 0.491 216 G N 1.623 110.251 108.800 -0.286 0.000 2.141 216 G HA2 -0.223 3.738 3.960 0.001 0.000 0.231 216 G HA3 -0.223 3.738 3.960 0.001 0.000 0.231 216 G C 0.202 175.016 174.900 -0.143 0.000 0.984 216 G CA 0.302 45.304 45.100 -0.163 0.000 0.660 216 G HN 1.076 nan 8.290 nan 0.000 0.525 217 T N -2.299 112.143 114.554 -0.187 0.000 2.888 217 T HA 0.671 5.021 4.350 0.001 0.000 0.288 217 T C -0.853 173.861 174.700 0.023 0.000 1.063 217 T CA -0.516 61.519 62.100 -0.108 0.000 1.010 217 T CB 2.632 71.398 68.868 -0.171 0.000 1.214 217 T HN -0.044 nan 8.240 nan 0.000 0.533 218 D N 0.807 121.215 120.400 0.014 0.000 2.304 218 D HA 0.157 4.798 4.640 0.001 0.000 0.247 218 D C 1.144 177.475 176.300 0.052 0.000 1.089 218 D CA -0.300 53.711 54.000 0.020 0.000 0.910 218 D CB 1.626 42.419 40.800 -0.011 0.000 1.199 218 D HN 0.793 nan 8.370 nan 0.000 0.426 219 Q N 1.069 120.861 119.800 -0.013 0.000 2.234 219 Q HA -0.190 4.150 4.340 0.001 0.000 0.206 219 Q C 1.520 177.511 176.000 -0.014 0.000 0.980 219 Q CA 1.613 57.393 55.803 -0.038 0.000 0.869 219 Q CB 0.120 28.773 28.738 -0.142 0.000 0.912 219 Q HN 0.517 nan 8.270 nan 0.000 0.436 220 S N -0.369 115.319 115.700 -0.019 0.000 2.442 220 S HA -0.145 4.326 4.470 0.001 0.000 0.236 220 S C 1.185 175.793 174.600 0.013 0.000 1.007 220 S CA 1.211 59.403 58.200 -0.014 0.000 0.965 220 S CB -0.109 63.083 63.200 -0.014 0.000 0.773 220 S HN 0.476 nan 8.310 nan 0.000 0.504 221 E N 1.074 121.289 120.200 0.025 0.000 2.478 221 E HA 0.093 4.443 4.350 0.001 0.000 0.194 221 E C -0.545 176.095 176.600 0.067 0.000 1.045 221 E CA -0.148 56.272 56.400 0.033 0.000 0.868 221 E CB -0.024 29.679 29.700 0.005 0.000 0.885 221 E HN 0.507 nan 8.360 nan 0.000 0.505 222 D N 1.011 121.472 120.400 0.101 0.000 2.506 222 D HA -0.008 4.632 4.640 0.001 0.000 0.234 222 D C -0.236 176.211 176.300 0.244 0.000 1.143 222 D CA 0.431 54.539 54.000 0.180 0.000 0.871 222 D CB 0.571 41.507 40.800 0.226 0.000 1.190 222 D HN -0.079 nan 8.370 nan 0.000 0.459 223 I N 1.928 122.670 120.570 0.286 0.000 2.342 223 I HA 0.086 4.257 4.170 0.001 0.000 0.291 223 I C 0.092 176.387 176.117 0.298 0.000 1.010 223 I CA -0.709 60.749 61.300 0.262 0.000 1.308 223 I CB 0.784 38.917 38.000 0.223 0.000 1.400 223 I HN 0.179 nan 8.210 nan 0.000 0.488 224 L N 6.977 128.313 121.223 0.187 0.000 2.315 224 L HA 0.206 4.547 4.340 0.001 0.000 0.283 224 L C 0.382 177.253 176.870 0.001 0.000 1.089 224 L CA 0.657 55.465 54.840 -0.054 0.000 0.833 224 L CB 0.534 42.555 42.059 -0.062 0.000 1.170 224 L HN 0.840 nan 8.230 nan 0.000 0.442 225 C N 3.844 123.159 119.300 0.025 0.000 2.791 225 C HA 0.740 5.200 4.460 0.001 0.000 0.288 225 C C 0.851 176.023 174.990 0.304 0.000 1.271 225 C CA 0.102 59.236 59.018 0.192 0.000 1.726 225 C CB -0.879 27.086 27.740 0.376 0.000 2.145 225 C HN 0.910 nan 8.230 nan 0.000 0.572 226 A N 1.115 123.969 122.820 0.057 0.000 2.540 226 A HA 0.669 4.990 4.320 0.001 0.000 0.297 226 A C -1.133 176.136 177.584 -0.525 0.000 1.056 226 A CA -0.371 51.604 52.037 -0.103 0.000 0.700 226 A CB 0.982 19.905 19.000 -0.128 0.000 1.280 226 A HN 0.492 nan 8.150 nan 0.000 0.398 227 E N 0.335 120.087 120.200 -0.746 0.000 2.412 227 E HA 0.719 5.070 4.350 0.001 0.000 0.279 227 E C -1.825 174.218 176.600 -0.930 0.000 0.984 227 E CA -0.883 55.017 56.400 -0.834 0.000 0.788 227 E CB 1.451 30.943 29.700 -0.346 0.000 1.277 227 E HN 0.484 nan 8.360 nan 0.000 0.455 228 F N 1.118 121.093 119.950 0.041 0.000 2.622 228 F HA 0.333 4.860 4.527 0.001 0.000 0.338 228 F C -1.830 173.947 175.800 -0.039 0.000 1.334 228 F CA -1.776 56.209 58.000 -0.025 0.000 1.179 228 F CB 1.397 40.372 39.000 -0.041 0.000 1.471 228 F HN 0.348 nan 8.300 nan 0.000 0.576 229 P HA -0.188 nan 4.420 nan 0.000 0.217 229 P C 0.482 177.848 177.300 0.111 0.000 1.148 229 P CA 1.588 64.769 63.100 0.134 0.000 0.828 229 P CB 0.435 32.155 31.700 0.034 0.000 0.783 230 D N -0.550 119.839 120.400 -0.019 0.000 2.339 230 D HA 0.029 4.670 4.640 0.001 0.000 0.217 230 D C 0.368 176.532 176.300 -0.227 0.000 1.050 230 D CA 0.662 54.610 54.000 -0.087 0.000 0.856 230 D CB 0.219 40.962 40.800 -0.095 0.000 0.922 230 D HN 0.243 nan 8.370 nan 0.000 0.518 231 E N 0.414 120.406 120.200 -0.347 0.000 3.132 231 E HA 0.169 4.519 4.350 0.001 0.000 0.241 231 E C -2.004 174.350 176.600 -0.411 0.000 1.196 231 E CA -1.579 54.449 56.400 -0.620 0.000 0.869 231 E CB 1.823 30.522 29.700 -1.669 0.000 1.387 231 E HN -0.029 nan 8.360 nan 0.000 0.393 232 P HA -0.139 nan 4.420 nan 0.000 0.220 232 P C 0.910 178.023 177.300 -0.312 0.000 1.144 232 P CA 1.225 63.970 63.100 -0.591 0.000 0.800 232 P CB 0.365 31.687 31.700 -0.629 0.000 0.772 233 K N -3.078 117.212 120.400 -0.183 0.000 2.379 233 K HA 0.008 4.329 4.320 0.001 0.000 0.194 233 K C 0.208 176.933 176.600 0.209 0.000 1.031 233 K CA -0.114 56.135 56.287 -0.063 0.000 1.037 233 K CB 0.020 32.447 32.500 -0.123 0.000 0.824 233 K HN 0.129 nan 8.250 nan 0.000 0.516 234 W N 1.730 122.979 121.300 -0.085 0.000 2.181 234 W HA 0.168 4.828 4.660 0.001 0.000 0.335 234 W C 0.167 176.645 176.519 -0.068 0.000 1.310 234 W CA -0.190 57.056 57.345 -0.166 0.000 1.226 234 W CB -0.005 29.190 29.460 -0.442 0.000 1.155 234 W HN -0.087 nan 8.180 nan 0.000 0.565 235 M N 2.984 122.622 119.600 0.063 0.000 2.151 235 M HA 0.375 4.855 4.480 0.001 0.000 0.290 235 M C 0.338 176.628 176.300 -0.017 0.000 0.965 235 M CA -0.403 54.949 55.300 0.087 0.000 0.930 235 M CB 1.937 34.581 32.600 0.075 0.000 1.560 235 M HN 0.506 nan 8.290 nan 0.000 0.438 236 G N 1.792 110.661 108.800 0.115 0.000 2.377 236 G HA2 0.613 4.573 3.960 0.001 0.000 0.316 236 G HA3 0.613 4.573 3.960 0.001 0.000 0.316 236 G C -0.194 174.699 174.900 -0.012 0.000 1.115 236 G CA -0.498 44.600 45.100 -0.003 0.000 0.952 236 G HN 0.829 nan 8.290 nan 0.000 0.441 237 G N 0.651 109.425 108.800 -0.044 0.000 2.332 237 G HA2 0.671 4.632 3.960 0.001 0.000 0.310 237 G HA3 0.671 4.632 3.960 0.001 0.000 0.310 237 G C -0.047 174.849 174.900 -0.007 0.000 1.123 237 G CA 0.023 45.128 45.100 0.008 0.000 0.873 237 G HN 0.962 nan 8.290 nan 0.000 0.460 238 A N 2.430 125.261 122.820 0.020 0.000 2.325 238 A HA 0.884 5.204 4.320 0.001 0.000 0.333 238 A C -0.012 177.620 177.584 0.080 0.000 1.155 238 A CA -0.702 51.326 52.037 -0.015 0.000 0.814 238 A CB 1.135 20.012 19.000 -0.205 0.000 1.206 238 A HN 0.889 nan 8.150 nan 0.000 0.482 239 E N 1.500 121.753 120.200 0.089 0.000 2.413 239 E HA 0.571 4.921 4.350 0.001 0.000 0.277 239 E C -1.779 174.914 176.600 0.155 0.000 0.958 239 E CA -0.923 55.578 56.400 0.169 0.000 0.779 239 E CB 1.061 30.867 29.700 0.178 0.000 1.278 239 E HN 0.353 nan 8.360 nan 0.000 0.456 240 L N 2.303 123.663 121.223 0.229 0.000 2.325 240 L HA 0.340 4.681 4.340 0.001 0.000 0.279 240 L C 0.614 177.543 176.870 0.099 0.000 1.054 240 L CA -0.382 54.566 54.840 0.180 0.000 0.804 240 L CB 1.455 43.657 42.059 0.238 0.000 1.200 240 L HN 0.891 nan 8.230 nan 0.000 0.436 241 S N 0.883 116.593 115.700 0.016 0.000 2.589 241 S HA 0.052 4.522 4.470 0.001 0.000 0.265 241 S C 0.748 175.452 174.600 0.174 0.000 1.342 241 S CA -0.606 57.575 58.200 -0.031 0.000 1.005 241 S CB 0.768 64.045 63.200 0.129 0.000 0.909 241 S HN 0.550 nan 8.310 nan 0.000 0.555 242 D N 1.317 121.915 120.400 0.329 0.000 2.182 242 D HA -0.113 4.527 4.640 0.001 0.000 0.201 242 D C 1.253 177.715 176.300 0.270 0.000 0.986 242 D CA 1.703 55.889 54.000 0.310 0.000 0.847 242 D CB -0.481 40.451 40.800 0.220 0.000 0.942 242 D HN 0.879 nan 8.370 nan 0.000 0.467 243 D N -1.217 119.274 120.400 0.151 0.000 2.340 243 D HA 0.120 4.761 4.640 0.001 0.000 0.220 243 D C 1.570 177.882 176.300 0.020 0.000 1.039 243 D CA 0.740 54.811 54.000 0.118 0.000 0.866 243 D CB -0.259 40.591 40.800 0.084 0.000 0.913 243 D HN 0.185 nan 8.370 nan 0.000 0.523 244 G N 1.025 109.662 108.800 -0.271 0.000 2.189 244 G HA2 -0.452 3.508 3.960 0.001 0.000 0.267 244 G HA3 -0.452 3.508 3.960 0.001 0.000 0.267 244 G C 1.143 175.915 174.900 -0.213 0.000 0.975 244 G CA 0.481 45.168 45.100 -0.688 0.000 0.644 244 G HN 0.520 nan 8.290 nan 0.000 0.537 245 R N -0.915 119.532 120.500 -0.088 0.000 2.127 245 R HA 0.228 4.568 4.340 0.001 0.000 0.217 245 R C 0.128 176.267 176.300 -0.268 0.000 1.074 245 R CA 0.728 56.713 56.100 -0.191 0.000 0.991 245 R CB 0.040 30.161 30.300 -0.298 0.000 0.895 245 R HN 0.431 nan 8.270 nan 0.000 0.450 246 Y N -0.551 119.805 120.300 0.093 0.000 2.393 246 Y HA 0.366 4.917 4.550 0.001 0.000 0.341 246 Y C -0.462 175.507 175.900 0.115 0.000 0.988 246 Y CA -1.153 57.037 58.100 0.151 0.000 1.078 246 Y CB 2.118 40.728 38.460 0.250 0.000 1.203 246 Y HN -0.344 nan 8.280 nan 0.000 0.453 247 V N 5.103 125.187 119.914 0.284 0.000 2.383 247 V HA 0.301 4.421 4.120 0.001 0.000 0.275 247 V C -0.195 176.093 176.094 0.324 0.000 1.036 247 V CA -0.713 61.702 62.300 0.192 0.000 0.889 247 V CB 0.802 32.639 31.823 0.023 0.000 0.985 247 V HN 0.564 nan 8.190 nan 0.000 0.459 248 L N 5.951 127.304 121.223 0.217 0.000 2.287 248 L HA 0.529 4.869 4.340 0.001 0.000 0.287 248 L C -0.589 176.364 176.870 0.137 0.000 1.022 248 L CA -0.573 54.400 54.840 0.221 0.000 0.814 248 L CB 1.540 43.676 42.059 0.129 0.000 1.217 248 L HN 0.457 nan 8.230 nan 0.000 0.420 249 L N 3.048 124.320 121.223 0.082 0.000 2.280 249 L HA 0.399 4.739 4.340 0.001 0.000 0.287 249 L C -0.168 176.567 176.870 -0.225 0.000 1.023 249 L CA 0.337 55.074 54.840 -0.171 0.000 0.819 249 L CB 1.557 43.270 42.059 -0.577 0.000 1.212 249 L HN 0.470 nan 8.230 nan 0.000 0.420 250 S N 6.458 122.059 115.700 -0.165 0.000 2.420 250 S HA 0.563 5.033 4.470 0.001 0.000 0.313 250 S C -0.111 174.325 174.600 -0.273 0.000 1.079 250 S CA -0.362 57.739 58.200 -0.166 0.000 1.104 250 S CB 0.188 63.372 63.200 -0.027 0.000 0.969 250 S HN 0.463 nan 8.310 nan 0.000 0.471 251 I N 4.455 124.752 120.570 -0.454 0.000 2.331 251 I HA 0.435 4.606 4.170 0.001 0.000 0.292 251 I C 0.355 176.296 176.117 -0.293 0.000 0.998 251 I CA -0.616 60.352 61.300 -0.553 0.000 1.267 251 I CB 0.689 38.043 38.000 -1.077 0.000 1.386 251 I HN 0.281 nan 8.210 nan 0.000 0.476 252 R N 4.960 125.310 120.500 -0.249 0.000 2.778 252 R HA 0.548 4.888 4.340 0.001 0.000 0.277 252 R C -0.826 175.259 176.300 -0.358 0.000 0.977 252 R CA -0.833 55.135 56.100 -0.221 0.000 0.950 252 R CB 2.260 32.473 30.300 -0.146 0.000 1.165 252 R HN 0.614 nan 8.270 nan 0.000 0.474 253 E N 0.725 120.573 120.200 -0.587 0.000 2.502 253 E HA 0.412 4.763 4.350 0.001 0.000 0.261 253 E C -0.667 175.729 176.600 -0.339 0.000 0.974 253 E CA -0.228 55.897 56.400 -0.458 0.000 0.795 253 E CB 0.880 30.171 29.700 -0.680 0.000 1.385 253 E HN 0.861 nan 8.360 nan 0.000 0.400 257 P HA 0.221 nan 4.420 nan 0.000 0.231 257 P C -0.568 176.761 177.300 0.048 0.000 1.811 257 P CA -0.161 62.987 63.100 0.081 0.000 1.051 257 P CB -0.094 31.699 31.700 0.156 0.000 1.951 258 V N 0.098 120.029 119.914 0.029 0.000 3.087 258 V HA 0.783 4.904 4.120 0.001 0.000 0.306 258 V C -1.187 174.957 176.094 0.083 0.000 1.187 258 V CA -0.997 61.328 62.300 0.042 0.000 0.999 258 V CB 2.801 34.666 31.823 0.069 0.000 1.049 258 V HN 0.531 nan 8.190 nan 0.000 0.431 259 N N 1.073 119.854 118.700 0.134 0.000 2.636 259 N HA 0.385 5.126 4.740 0.001 0.000 0.261 259 N C -1.341 174.172 175.510 0.005 0.000 1.195 259 N CA -0.890 52.224 53.050 0.106 0.000 0.902 259 N CB 2.255 40.756 38.487 0.023 0.000 1.627 259 N HN 0.814 nan 8.380 nan 0.000 0.491 260 R N 0.190 120.527 120.500 -0.273 0.000 2.560 260 R HA 0.429 4.770 4.340 0.001 0.000 0.270 260 R C -0.606 175.496 176.300 -0.330 0.000 1.074 260 R CA -0.694 55.144 56.100 -0.437 0.000 1.140 260 R CB 0.743 30.542 30.300 -0.836 0.000 1.073 260 R HN 0.456 nan 8.270 nan 0.000 0.527 261 L N 3.397 124.493 121.223 -0.212 0.000 2.415 261 L HA 0.385 4.726 4.340 0.001 0.000 0.268 261 L C -1.779 175.157 176.870 0.110 0.000 0.984 261 L CA -0.339 54.430 54.840 -0.119 0.000 0.853 261 L CB 1.100 43.043 42.059 -0.193 0.000 1.215 261 L HN 0.647 nan 8.230 nan 0.000 0.419 262 W N 4.859 126.062 121.300 -0.161 0.000 2.647 262 W HA 0.606 5.267 4.660 0.001 0.000 0.353 262 W C -0.309 176.270 176.519 0.100 0.000 1.080 262 W CA -0.932 56.338 57.345 -0.125 0.000 1.208 262 W CB 1.068 30.391 29.460 -0.229 0.000 1.396 262 W HN 0.473 nan 8.180 nan 0.000 0.573 263 Y N -0.649 119.845 120.300 0.323 0.000 2.553 263 Y HA 0.666 5.217 4.550 0.001 0.000 0.347 263 Y C -1.107 174.998 175.900 0.341 0.000 1.019 263 Y CA -2.054 56.229 58.100 0.306 0.000 1.032 263 Y CB 1.327 39.771 38.460 -0.025 0.000 1.284 263 Y HN 0.479 nan 8.280 nan 0.000 0.466 264 C N 3.767 123.339 119.300 0.453 0.000 2.346 264 C HA 0.427 4.887 4.460 0.001 0.000 0.326 264 C C -0.773 174.359 174.990 0.237 0.000 1.224 264 C CA -0.550 58.508 59.018 0.065 0.000 1.408 264 C CB -0.158 27.288 27.740 -0.490 0.000 2.089 264 C HN 0.911 nan 8.230 nan 0.000 0.456 265 D N 4.742 125.283 120.400 0.235 0.000 2.374 265 D HA 0.123 4.764 4.640 0.001 0.000 0.240 265 D C 1.193 177.441 176.300 -0.088 0.000 1.229 265 D CA 0.069 54.086 54.000 0.027 0.000 0.895 265 D CB 0.640 41.508 40.800 0.113 0.000 1.046 265 D HN 0.724 nan 8.370 nan 0.000 0.498 266 L N 2.979 124.127 121.223 -0.126 0.000 2.127 266 L HA -0.194 4.147 4.340 0.001 0.000 0.211 266 L C 2.376 179.191 176.870 -0.092 0.000 1.089 266 L CA 0.962 55.743 54.840 -0.099 0.000 0.757 266 L CB -0.209 41.812 42.059 -0.062 0.000 0.899 266 L HN 0.531 nan 8.230 nan 0.000 0.434 267 Q N -0.453 119.284 119.800 -0.106 0.000 2.291 267 Q HA -0.193 4.147 4.340 0.001 0.000 0.205 267 Q C 1.931 177.899 176.000 -0.054 0.000 0.970 267 Q CA 0.937 56.697 55.803 -0.071 0.000 0.876 267 Q CB 0.233 28.927 28.738 -0.073 0.000 0.935 267 Q HN 0.460 nan 8.270 nan 0.000 0.455 268 Q N 0.365 120.131 119.800 -0.056 0.000 2.444 268 Q HA 0.029 4.369 4.340 0.001 0.000 0.206 268 Q C -0.269 175.695 176.000 -0.060 0.000 0.948 268 Q CA 0.379 56.157 55.803 -0.042 0.000 0.946 268 Q CB 0.415 29.140 28.738 -0.021 0.000 1.027 268 Q HN 0.315 nan 8.270 nan 0.000 0.513 269 E N 0.462 120.616 120.200 -0.077 0.000 2.384 269 E HA 0.045 4.395 4.350 0.001 0.000 0.266 269 E C 0.854 177.417 176.600 -0.062 0.000 1.012 269 E CA 0.036 56.383 56.400 -0.088 0.000 0.901 269 E CB 1.134 30.770 29.700 -0.106 0.000 0.967 269 E HN 0.003 nan 8.360 nan 0.000 0.435 270 S N 2.577 118.242 115.700 -0.058 0.000 2.383 270 S HA -0.201 4.270 4.470 0.001 0.000 0.229 270 S C 1.072 175.652 174.600 -0.034 0.000 1.030 270 S CA 1.450 59.625 58.200 -0.041 0.000 1.002 270 S CB -0.016 63.161 63.200 -0.039 0.000 0.829 270 S HN 0.488 nan 8.310 nan 0.000 0.467 271 N N -0.306 118.371 118.700 -0.039 0.000 2.635 271 N HA 0.340 5.080 4.740 0.001 0.000 0.252 271 N C -0.082 175.406 175.510 -0.036 0.000 1.589 271 N CA 0.722 53.754 53.050 -0.030 0.000 0.828 271 N CB 0.103 38.576 38.487 -0.022 0.000 1.403 271 N HN 0.332 nan 8.380 nan 0.000 0.518 272 G N 0.774 109.545 108.800 -0.048 0.000 2.698 272 G HA2 -0.254 3.707 3.960 0.001 0.000 0.233 272 G HA3 -0.254 3.707 3.960 0.001 0.000 0.233 272 G C -0.351 174.492 174.900 -0.095 0.000 1.352 272 G CA -0.257 44.805 45.100 -0.063 0.000 0.879 272 G HN 0.316 nan 8.290 nan 0.000 0.567 273 I N 2.064 122.549 120.570 -0.142 0.000 2.329 273 I HA 0.320 4.490 4.170 0.001 0.000 0.295 273 I C 1.608 177.677 176.117 -0.080 0.000 1.109 273 I CA 0.719 61.907 61.300 -0.188 0.000 1.297 273 I CB 0.740 38.445 38.000 -0.492 0.000 1.433 273 I HN 0.791 nan 8.210 nan 0.000 0.509 274 T N 0.465 114.989 114.554 -0.049 0.000 3.016 274 T HA 0.494 4.844 4.350 0.001 0.000 0.271 274 T C 0.546 175.250 174.700 0.007 0.000 0.968 274 T CA 0.126 62.221 62.100 -0.008 0.000 0.891 274 T CB 0.853 69.713 68.868 -0.014 0.000 1.149 274 T HN 0.660 nan 8.240 nan 0.000 0.524 275 G N 1.297 110.095 108.800 -0.004 0.000 2.474 275 G HA2 0.445 4.405 3.960 0.001 0.000 0.234 275 G HA3 0.445 4.405 3.960 0.001 0.000 0.234 275 G C -1.653 173.251 174.900 0.006 0.000 1.204 275 G CA -0.914 44.194 45.100 0.013 0.000 0.939 275 G HN 0.189 nan 8.290 nan 0.000 0.491 276 I N 2.443 123.021 120.570 0.013 0.000 2.662 276 I HA 0.147 4.317 4.170 0.001 0.000 0.285 276 I C 0.900 176.972 176.117 -0.075 0.000 1.161 276 I CA 0.270 61.594 61.300 0.040 0.000 1.415 276 I CB -0.202 37.840 38.000 0.069 0.000 1.385 276 I HN 0.237 nan 8.210 nan 0.000 0.552 277 L N 6.985 128.070 121.223 -0.230 0.000 2.464 277 L HA 0.131 4.471 4.340 0.001 0.000 0.264 277 L C 0.959 177.456 176.870 -0.621 0.000 1.199 277 L CA -0.483 54.008 54.840 -0.582 0.000 0.818 277 L CB 0.058 41.474 42.059 -1.072 0.000 1.102 277 L HN 0.469 nan 8.230 nan 0.000 0.473 278 K N 1.978 122.091 120.400 -0.479 0.000 2.278 278 K HA 0.084 4.404 4.320 0.001 0.000 0.237 278 K C -1.022 175.385 176.600 -0.322 0.000 1.229 278 K CA -0.051 56.054 56.287 -0.303 0.000 1.155 278 K CB -0.227 32.152 32.500 -0.202 0.000 1.590 278 K HN 0.286 nan 8.250 nan 0.000 0.290 279 W N 1.347 122.562 121.300 -0.141 0.000 2.210 279 W HA 0.071 4.732 4.660 0.001 0.000 0.330 279 W C 0.177 176.437 176.519 -0.431 0.000 1.334 279 W CA -0.817 56.398 57.345 -0.217 0.000 1.227 279 W CB 0.494 29.876 29.460 -0.130 0.000 1.178 279 W HN 0.011 nan 8.180 nan 0.000 0.560 280 V N 4.598 124.303 119.914 -0.348 0.000 2.347 280 V HA 0.156 4.276 4.120 0.001 0.000 0.280 280 V C 0.178 175.898 176.094 -0.623 0.000 1.021 280 V CA -1.428 60.487 62.300 -0.642 0.000 0.847 280 V CB 1.026 32.144 31.823 -1.175 0.000 0.990 280 V HN 0.414 nan 8.190 nan 0.000 0.444 281 K N 4.675 124.712 120.400 -0.605 0.000 2.278 281 K HA 0.132 4.453 4.320 0.001 0.000 0.237 281 K C 0.995 177.432 176.600 -0.272 0.000 1.229 281 K CA -0.263 55.646 56.287 -0.629 0.000 1.155 281 K CB 0.344 32.351 32.500 -0.822 0.000 1.590 281 K HN 0.523 nan 8.250 nan 0.000 0.290 282 L N 1.712 122.817 121.223 -0.197 0.000 1.971 282 L HA -0.141 4.199 4.340 0.001 0.000 0.215 282 L C 0.563 177.373 176.870 -0.100 0.000 1.072 282 L CA 1.872 56.635 54.840 -0.129 0.000 0.758 282 L CB 0.161 42.145 42.059 -0.124 0.000 0.889 282 L HN 0.400 nan 8.230 nan 0.000 0.433 283 I N 0.594 121.097 120.570 -0.111 0.000 2.405 283 I HA 0.197 4.367 4.170 0.001 0.000 0.280 283 I C -0.660 175.424 176.117 -0.054 0.000 1.027 283 I CA -0.247 60.961 61.300 -0.154 0.000 1.161 283 I CB 0.690 38.442 38.000 -0.414 0.000 1.300 283 I HN 0.116 nan 8.210 nan 0.000 0.463 284 D N 5.749 126.125 120.400 -0.039 0.000 3.163 284 D HA 0.243 4.883 4.640 0.001 0.000 0.284 284 D C -0.328 175.888 176.300 -0.139 0.000 1.368 284 D CA -0.058 53.938 54.000 -0.006 0.000 0.895 284 D CB 0.196 41.003 40.800 0.011 0.000 1.061 284 D HN 0.706 nan 8.370 nan 0.000 0.496 285 N N -2.167 116.374 118.700 -0.265 0.000 3.116 285 N HA 0.269 5.010 4.740 0.001 0.000 0.244 285 N C -1.154 174.118 175.510 -0.397 0.000 1.485 285 N CA -0.815 52.049 53.050 -0.309 0.000 0.884 285 N CB 0.233 38.672 38.487 -0.080 0.000 1.415 285 N HN -0.134 nan 8.380 nan 0.000 0.524 286 F N -0.386 119.526 119.950 -0.064 0.000 2.925 286 F HA 0.389 4.916 4.527 0.001 0.000 0.302 286 F C 0.943 176.726 175.800 -0.029 0.000 1.189 286 F CA -0.403 57.548 58.000 -0.082 0.000 1.346 286 F CB 0.421 39.349 39.000 -0.119 0.000 0.954 286 F HN 0.521 nan 8.300 nan 0.000 0.506 287 E N 0.433 120.715 120.200 0.136 0.000 2.371 287 E HA 0.175 4.525 4.350 0.001 0.000 0.194 287 E C 1.257 177.871 176.600 0.023 0.000 1.012 287 E CA 0.124 56.570 56.400 0.077 0.000 0.860 287 E CB 0.423 30.159 29.700 0.061 0.000 0.811 287 E HN 0.454 nan 8.360 nan 0.000 0.502 288 G N 0.705 109.541 108.800 0.059 0.000 2.660 288 G HA2 0.296 4.256 3.960 0.001 0.000 0.290 288 G HA3 0.296 4.256 3.960 0.001 0.000 0.290 288 G C -1.781 172.967 174.900 -0.253 0.000 1.432 288 G CA -0.771 44.243 45.100 -0.143 0.000 0.807 288 G HN -0.057 nan 8.290 nan 0.000 0.485 289 E N -0.681 119.274 120.200 -0.409 0.000 2.249 289 E HA 0.627 4.977 4.350 0.001 0.000 0.280 289 E C -1.657 174.550 176.600 -0.656 0.000 1.016 289 E CA -0.493 55.736 56.400 -0.286 0.000 0.830 289 E CB 0.881 30.559 29.700 -0.036 0.000 1.081 289 E HN 0.367 nan 8.360 nan 0.000 0.395 290 Y N 2.786 123.081 120.300 -0.007 0.000 2.373 290 Y HA 0.295 4.845 4.550 0.001 0.000 0.327 290 Y C -1.006 174.989 175.900 0.159 0.000 1.036 290 Y CA -1.084 56.973 58.100 -0.072 0.000 1.265 290 Y CB 1.460 39.640 38.460 -0.467 0.000 1.108 290 Y HN 0.399 nan 8.280 nan 0.000 0.471 291 D N 2.235 122.870 120.400 0.391 0.000 2.349 291 D HA 0.077 4.718 4.640 0.001 0.000 0.232 291 D C -0.710 175.911 176.300 0.534 0.000 1.071 291 D CA -0.501 53.736 54.000 0.395 0.000 0.832 291 D CB 0.966 41.900 40.800 0.224 0.000 1.086 291 D HN 0.419 nan 8.370 nan 0.000 0.504 292 Y N 2.691 123.228 120.300 0.395 0.000 2.544 292 Y HA 0.056 4.606 4.550 0.001 0.000 0.330 292 Y C 0.555 176.476 175.900 0.035 0.000 1.136 292 Y CA 0.341 58.522 58.100 0.134 0.000 1.417 292 Y CB 0.546 39.108 38.460 0.170 0.000 1.229 292 Y HN 0.195 nan 8.280 nan 0.000 0.532 293 V N 3.882 123.387 119.914 -0.683 0.000 2.721 293 V HA 0.174 4.295 4.120 0.001 0.000 0.236 293 V C 0.573 176.085 176.094 -0.971 0.000 1.116 293 V CA 1.272 63.225 62.300 -0.580 0.000 1.148 293 V CB 0.361 32.003 31.823 -0.302 0.000 0.886 293 V HN 0.840 nan 8.190 nan 0.000 0.490 294 T N 0.086 113.943 114.554 -1.162 0.000 2.663 294 T HA 0.354 4.704 4.350 0.001 0.000 0.305 294 T C -2.280 172.011 174.700 -0.680 0.000 1.660 294 T CA -0.498 61.073 62.100 -0.882 0.000 0.976 294 T CB 1.619 70.255 68.868 -0.387 0.000 1.705 294 T HN 0.539 nan 8.240 nan 0.000 0.494 295 N N 1.068 119.465 118.700 -0.505 0.000 2.494 295 N HA 0.443 5.183 4.740 0.001 0.000 0.270 295 N C -1.825 173.428 175.510 -0.429 0.000 1.285 295 N CA -0.708 51.887 53.050 -0.758 0.000 0.812 295 N CB 2.230 39.647 38.487 -1.784 0.000 1.557 295 N HN 0.483 nan 8.380 nan 0.000 0.487 296 E N 0.560 120.539 120.200 -0.369 0.000 2.402 296 E HA 0.389 4.739 4.350 0.001 0.000 0.244 296 E C 0.659 177.166 176.600 -0.155 0.000 0.945 296 E CA -0.147 56.139 56.400 -0.191 0.000 0.774 296 E CB 0.936 30.556 29.700 -0.133 0.000 1.296 296 E HN 0.993 nan 8.360 nan 0.000 0.414 297 G N 2.929 111.671 108.800 -0.096 0.000 2.556 297 G HA2 -0.411 3.550 3.960 0.001 0.000 0.283 297 G HA3 -0.411 3.550 3.960 0.001 0.000 0.283 297 G C 0.957 175.845 174.900 -0.020 0.000 1.177 297 G CA 0.649 45.748 45.100 -0.002 0.000 0.978 297 G HN 0.534 nan 8.290 nan 0.000 0.554 298 T N -1.389 113.176 114.554 0.018 0.000 3.148 298 T HA 0.396 4.746 4.350 0.001 0.000 0.253 298 T C 0.908 175.541 174.700 -0.111 0.000 1.134 298 T CA 1.067 63.152 62.100 -0.024 0.000 1.051 298 T CB 0.102 69.027 68.868 0.095 0.000 0.959 298 T HN 1.059 nan 8.240 nan 0.000 0.525 299 V N 2.724 122.563 119.914 -0.125 0.000 2.353 299 V HA 0.398 4.519 4.120 0.001 0.000 0.264 299 V C -0.602 175.333 176.094 -0.265 0.000 1.049 299 V CA -0.859 61.375 62.300 -0.110 0.000 0.896 299 V CB -0.607 31.173 31.823 -0.073 0.000 1.025 299 V HN 0.319 nan 8.190 nan 0.000 0.475 300 F N 2.539 122.241 119.950 -0.413 0.000 2.415 300 F HA 0.452 4.980 4.527 0.001 0.000 0.348 300 F C 0.941 176.495 175.800 -0.409 0.000 1.119 300 F CA -0.362 57.348 58.000 -0.482 0.000 1.069 300 F CB 1.726 40.347 39.000 -0.633 0.000 1.124 300 F HN 0.313 nan 8.300 nan 0.000 0.472 301 T N 5.101 119.411 114.554 -0.406 0.000 2.744 301 T HA 0.532 4.882 4.350 0.001 0.000 0.291 301 T C -0.768 173.692 174.700 -0.400 0.000 0.957 301 T CA -0.185 61.745 62.100 -0.283 0.000 1.002 301 T CB 0.054 68.772 68.868 -0.249 0.000 0.919 301 T HN 0.192 nan 8.240 nan 0.000 0.468 302 F N 1.609 121.577 119.950 0.030 0.000 2.563 302 F HA 0.502 5.029 4.527 0.001 0.000 0.316 302 F C 0.387 176.218 175.800 0.051 0.000 1.076 302 F CA -1.281 56.767 58.000 0.081 0.000 0.921 302 F CB 1.958 41.055 39.000 0.162 0.000 1.209 302 F HN 0.272 nan 8.300 nan 0.000 0.462 303 K N 1.499 122.057 120.400 0.264 0.000 2.234 303 K HA 0.548 4.868 4.320 0.001 0.000 0.282 303 K C -0.745 175.967 176.600 0.185 0.000 1.039 303 K CA -0.035 56.357 56.287 0.174 0.000 0.928 303 K CB 1.319 33.889 32.500 0.117 0.000 1.039 303 K HN 0.759 nan 8.250 nan 0.000 0.470 304 T N 1.648 116.281 114.554 0.132 0.000 2.864 304 T HA 0.277 4.627 4.350 0.001 0.000 0.299 304 T C -0.556 174.076 174.700 -0.114 0.000 1.166 304 T CA -0.821 61.240 62.100 -0.065 0.000 1.007 304 T CB 0.839 69.603 68.868 -0.173 0.000 1.219 304 T HN 0.797 nan 8.240 nan 0.000 0.506 305 N N 1.030 119.516 118.700 -0.357 0.000 2.200 305 N HA 0.154 4.894 4.740 0.001 0.000 0.224 305 N C 0.099 175.411 175.510 -0.330 0.000 1.179 305 N CA -0.536 52.176 53.050 -0.565 0.000 0.877 305 N CB -0.034 37.850 38.487 -1.004 0.000 1.072 305 N HN 0.349 nan 8.380 nan 0.000 0.519 306 R N 1.738 122.088 120.500 -0.250 0.000 2.446 306 R HA -0.010 4.331 4.340 0.001 0.000 0.325 306 R C -0.240 176.034 176.300 -0.042 0.000 0.997 306 R CA 0.393 56.400 56.100 -0.154 0.000 1.010 306 R CB -1.232 29.121 30.300 0.088 0.000 0.946 306 R HN 0.266 nan 8.270 nan 0.000 0.422 307 H N 1.352 120.416 119.070 -0.010 0.000 2.776 307 H HA -0.181 4.375 4.556 0.001 0.000 0.300 307 H C -0.912 174.407 175.328 -0.016 0.000 1.161 307 H CA 1.421 57.467 56.048 -0.003 0.000 1.147 307 H CB -1.723 28.052 29.762 0.022 0.000 1.366 307 H HN 0.630 nan 8.280 nan 0.000 0.397 308 S N -2.189 113.508 115.700 -0.006 0.000 2.413 308 S HA 0.358 4.828 4.470 0.001 0.000 0.170 308 S C -2.121 172.387 174.600 -0.154 0.000 1.294 308 S CA -1.066 57.116 58.200 -0.030 0.000 1.201 308 S CB 2.627 65.825 63.200 -0.003 0.000 1.328 308 S HN -0.177 nan 8.310 nan 0.000 0.418 309 P HA -0.056 nan 4.420 nan 0.000 0.219 309 P C 0.551 177.818 177.300 -0.055 0.000 1.146 309 P CA 1.192 64.227 63.100 -0.108 0.000 0.808 309 P CB -0.175 31.532 31.700 0.012 0.000 0.779 310 N N -3.119 115.617 118.700 0.059 0.000 2.280 310 N HA 0.086 4.826 4.740 0.001 0.000 0.192 310 N C -0.860 174.887 175.510 0.394 0.000 1.109 310 N CA -0.243 52.955 53.050 0.247 0.000 0.855 310 N CB -0.157 38.466 38.487 0.227 0.000 0.974 310 N HN 0.018 nan 8.380 nan 0.000 0.482 311 Y N -0.016 120.324 120.300 0.066 0.000 2.515 311 Y HA -0.324 4.227 4.550 0.001 0.000 0.021 311 Y C 0.147 176.081 175.900 0.056 0.000 1.710 311 Y CA -0.161 57.962 58.100 0.038 0.000 1.413 311 Y CB -0.375 38.087 38.460 0.003 0.000 2.059 311 Y HN 0.196 nan 8.280 nan 0.000 0.255 312 R N 0.369 120.978 120.500 0.182 0.000 2.747 312 R HA 0.880 5.220 4.340 0.001 0.000 0.272 312 R C -2.262 174.101 176.300 0.104 0.000 1.032 312 R CA -1.333 54.842 56.100 0.125 0.000 0.896 312 R CB 1.446 31.808 30.300 0.103 0.000 1.253 312 R HN 0.525 nan 8.270 nan 0.000 0.461 313 L N 2.441 123.710 121.223 0.075 0.000 2.296 313 L HA 0.615 4.955 4.340 0.001 0.000 0.286 313 L C -0.121 176.807 176.870 0.097 0.000 1.023 313 L CA -0.978 53.904 54.840 0.069 0.000 0.812 313 L CB 1.582 43.648 42.059 0.012 0.000 1.223 313 L HN 0.576 nan 8.230 nan 0.000 0.421 314 I N 0.120 120.767 120.570 0.128 0.000 2.892 314 I HA 0.523 4.694 4.170 0.001 0.000 0.306 314 I C -0.940 175.247 176.117 0.117 0.000 1.078 314 I CA -0.752 60.633 61.300 0.143 0.000 1.032 314 I CB 2.301 40.407 38.000 0.177 0.000 1.229 314 I HN 0.501 nan 8.210 nan 0.000 0.435 315 N N 4.354 123.116 118.700 0.103 0.000 2.417 315 N HA 0.586 5.326 4.740 0.001 0.000 0.274 315 N C -1.296 174.254 175.510 0.068 0.000 0.987 315 N CA -0.610 52.484 53.050 0.073 0.000 0.912 315 N CB 2.168 40.690 38.487 0.059 0.000 1.177 315 N HN 0.462 nan 8.380 nan 0.000 0.490 316 I N 1.304 121.908 120.570 0.057 0.000 2.362 316 I HA 0.157 4.327 4.170 0.001 0.000 0.289 316 I C -0.510 175.708 176.117 0.168 0.000 0.994 316 I CA -0.672 60.630 61.300 0.003 0.000 1.158 316 I CB 1.490 39.386 38.000 -0.172 0.000 1.315 316 I HN 0.386 nan 8.210 nan 0.000 0.451 317 D N 6.266 126.792 120.400 0.211 0.000 2.313 317 D HA 0.189 4.829 4.640 0.001 0.000 0.239 317 D C 0.894 177.382 176.300 0.313 0.000 1.142 317 D CA -0.081 54.032 54.000 0.187 0.000 0.847 317 D CB 0.815 41.713 40.800 0.163 0.000 1.082 317 D HN 0.405 nan 8.370 nan 0.000 0.480 318 F N 1.201 121.171 119.950 0.033 0.000 2.307 318 F HA -0.212 4.316 4.527 0.001 0.000 0.301 318 F C 2.381 178.231 175.800 0.084 0.000 1.076 318 F CA 0.985 58.975 58.000 -0.017 0.000 1.383 318 F CB 0.140 38.992 39.000 -0.246 0.000 1.055 318 F HN 0.413 nan 8.300 nan 0.000 0.526 319 T N -4.101 110.619 114.554 0.277 0.000 3.100 319 T HA -0.052 4.299 4.350 0.001 0.000 0.253 319 T C 0.287 175.087 174.700 0.166 0.000 1.118 319 T CA 0.502 62.722 62.100 0.199 0.000 1.058 319 T CB 0.041 69.004 68.868 0.158 0.000 0.953 319 T HN 0.027 nan 8.240 nan 0.000 0.515 320 D N 1.374 121.887 120.400 0.189 0.000 3.118 320 D HA 0.260 4.900 4.640 0.001 0.000 0.286 320 D C -1.961 174.477 176.300 0.230 0.000 1.255 320 D CA -1.653 52.448 54.000 0.168 0.000 0.748 320 D CB 1.250 42.137 40.800 0.145 0.000 1.332 320 D HN 0.035 nan 8.370 nan 0.000 0.575 321 P HA -0.075 nan 4.420 nan 0.000 0.226 321 P C 0.010 177.530 177.300 0.367 0.000 1.153 321 P CA 0.289 63.586 63.100 0.328 0.000 0.777 321 P CB 0.463 32.300 31.700 0.228 0.000 0.794 322 E N 0.772 121.072 120.200 0.167 0.000 2.442 322 E HA -0.100 4.251 4.350 0.001 0.000 0.262 322 E C 1.242 177.679 176.600 -0.272 0.000 1.004 322 E CA 0.034 56.431 56.400 -0.005 0.000 0.928 322 E CB 0.481 30.161 29.700 -0.033 0.000 0.937 322 E HN 0.236 nan 8.360 nan 0.000 0.446 323 E N 1.929 121.731 120.200 -0.663 0.000 2.130 323 E HA -0.241 4.110 4.350 0.001 0.000 0.196 323 E C 1.671 177.758 176.600 -0.856 0.000 0.998 323 E CA 1.535 57.001 56.400 -1.557 0.000 0.806 323 E CB 0.092 29.063 29.700 -1.214 0.000 0.738 323 E HN 0.554 nan 8.360 nan 0.000 0.459 324 S N -0.099 115.360 115.700 -0.401 0.000 2.469 324 S HA -0.077 4.394 4.470 0.001 0.000 0.238 324 S C 1.543 176.091 174.600 -0.087 0.000 0.998 324 S CA 0.646 58.730 58.200 -0.194 0.000 0.957 324 S CB 0.014 63.144 63.200 -0.118 0.000 0.764 324 S HN 0.116 nan 8.310 nan 0.000 0.514 325 K N -0.148 120.219 120.400 -0.056 0.000 2.361 325 K HA 0.165 4.485 4.320 0.001 0.000 0.194 325 K C -0.137 176.624 176.600 0.268 0.000 1.032 325 K CA -0.215 56.135 56.287 0.104 0.000 1.048 325 K CB -0.178 32.405 32.500 0.139 0.000 0.842 325 K HN 0.445 nan 8.250 nan 0.000 0.526 326 W N 3.075 124.427 121.300 0.087 0.000 2.231 326 W HA 0.063 4.723 4.660 0.001 0.000 0.341 326 W C 0.912 177.488 176.519 0.095 0.000 1.298 326 W CA -0.765 56.646 57.345 0.109 0.000 1.266 326 W CB -0.127 29.411 29.460 0.130 0.000 1.172 326 W HN -0.121 nan 8.180 nan 0.000 0.568 327 K N 1.794 122.382 120.400 0.314 0.000 2.159 327 K HA 0.469 4.790 4.320 0.001 0.000 0.266 327 K C -1.048 175.665 176.600 0.188 0.000 0.975 327 K CA -0.547 55.860 56.287 0.200 0.000 0.865 327 K CB 1.154 33.737 32.500 0.138 0.000 1.087 327 K HN 0.206 nan 8.250 nan 0.000 0.446 328 V N 6.796 126.802 119.914 0.153 0.000 2.339 328 V HA 0.029 4.149 4.120 0.001 0.000 0.261 328 V C 1.112 177.261 176.094 0.093 0.000 1.058 328 V CA -0.342 62.037 62.300 0.132 0.000 0.897 328 V CB 0.588 32.480 31.823 0.115 0.000 1.052 328 V HN 0.842 nan 8.190 nan 0.000 0.480 329 L N 6.303 127.576 121.223 0.083 0.000 2.044 329 L HA 0.145 4.486 4.340 0.001 0.000 0.205 329 L C 0.813 177.717 176.870 0.056 0.000 1.075 329 L CA 1.939 56.816 54.840 0.062 0.000 0.747 329 L CB 0.421 42.507 42.059 0.044 0.000 0.903 329 L HN 0.438 nan 8.230 nan 0.000 0.435 330 V N 1.048 120.990 119.914 0.048 0.000 2.398 330 V HA 0.367 4.488 4.120 0.001 0.000 0.282 330 V C -2.284 173.834 176.094 0.040 0.000 1.014 330 V CA -1.542 60.782 62.300 0.041 0.000 0.838 330 V CB 1.020 32.843 31.823 -0.001 0.000 1.018 330 V HN 0.086 nan 8.190 nan 0.000 0.432 331 P HA 0.065 nan 4.420 nan 0.000 0.269 331 P C 0.027 177.305 177.300 -0.038 0.000 1.217 331 P CA -0.071 63.024 63.100 -0.008 0.000 0.783 331 P CB 0.678 32.353 31.700 -0.042 0.000 0.898 332 E N 1.475 121.676 120.200 0.002 0.000 2.398 332 E HA -0.022 4.329 4.350 0.001 0.000 0.263 332 E C -0.298 176.275 176.600 -0.044 0.000 1.046 332 E CA -0.120 56.308 56.400 0.047 0.000 0.908 332 E CB 0.293 30.033 29.700 0.068 0.000 0.963 332 E HN 0.442 nan 8.360 nan 0.000 0.431 333 H N 2.679 121.819 119.070 0.117 0.000 2.482 333 H HA 0.008 4.565 4.556 0.001 0.000 0.344 333 H C 0.616 175.983 175.328 0.065 0.000 1.151 333 H CA -0.098 55.987 56.048 0.062 0.000 1.300 333 H CB 1.757 31.529 29.762 0.016 0.000 1.494 333 H HN 0.784 nan 8.280 nan 0.000 0.542 334 E N 1.908 122.205 120.200 0.161 0.000 2.160 334 E HA -0.180 4.170 4.350 0.001 0.000 0.195 334 E C 1.304 177.972 176.600 0.113 0.000 0.991 334 E CA 1.496 57.958 56.400 0.104 0.000 0.810 334 E CB 0.399 30.141 29.700 0.071 0.000 0.742 334 E HN 0.506 nan 8.360 nan 0.000 0.466 335 K N -0.696 119.790 120.400 0.143 0.000 2.556 335 K HA 0.041 4.362 4.320 0.001 0.000 0.201 335 K C -0.582 176.127 176.600 0.181 0.000 1.423 335 K CA -0.051 56.324 56.287 0.145 0.000 1.010 335 K CB 0.682 33.240 32.500 0.097 0.000 1.409 335 K HN -0.078 nan 8.250 nan 0.000 0.538 336 D N 1.923 122.419 120.400 0.159 0.000 2.390 336 D HA 0.064 4.704 4.640 0.001 0.000 0.249 336 D C -0.593 175.861 176.300 0.257 0.000 1.144 336 D CA 0.071 54.158 54.000 0.146 0.000 0.880 336 D CB 1.618 42.394 40.800 -0.040 0.000 1.182 336 D HN -0.130 nan 8.370 nan 0.000 0.451 337 V N 3.218 123.255 119.914 0.206 0.000 2.461 337 V HA 0.055 4.175 4.120 0.001 0.000 0.275 337 V C 0.283 176.453 176.094 0.126 0.000 1.047 337 V CA -0.817 61.598 62.300 0.192 0.000 0.955 337 V CB 1.312 33.178 31.823 0.073 0.000 0.988 337 V HN 0.331 nan 8.190 nan 0.000 0.471 338 L N 5.639 126.890 121.223 0.046 0.000 2.342 338 L HA 0.294 4.634 4.340 0.001 0.000 0.285 338 L C 1.188 177.827 176.870 -0.386 0.000 1.095 338 L CA 0.687 55.291 54.840 -0.393 0.000 0.843 338 L CB 0.088 41.969 42.059 -0.296 0.000 1.201 338 L HN 0.719 nan 8.230 nan 0.000 0.445 339 E N 5.374 125.315 120.200 -0.431 0.000 2.028 339 E HA -0.011 4.339 4.350 0.001 0.000 0.190 339 E C -0.493 176.001 176.600 -0.177 0.000 0.984 339 E CA 1.271 57.481 56.400 -0.315 0.000 0.800 339 E CB 0.130 29.707 29.700 -0.204 0.000 0.758 339 E HN 0.746 nan 8.360 nan 0.000 0.448 340 W N -1.180 119.950 121.300 -0.284 0.000 3.066 340 W HA 0.585 5.245 4.660 0.001 0.000 0.330 340 W C -1.674 174.686 176.519 -0.265 0.000 1.253 340 W CA -0.855 56.348 57.345 -0.237 0.000 1.187 340 W CB 0.711 30.062 29.460 -0.182 0.000 1.434 340 W HN -0.376 nan 8.180 nan 0.000 0.572 341 V N 1.321 121.338 119.914 0.172 0.000 2.808 341 V HA 0.806 4.926 4.120 0.001 0.000 0.308 341 V C -0.327 175.843 176.094 0.127 0.000 1.099 341 V CA -0.709 61.603 62.300 0.021 0.000 0.920 341 V CB 1.127 32.893 31.823 -0.096 0.000 1.014 341 V HN 0.889 nan 8.190 nan 0.000 0.425 342 A N 2.263 125.135 122.820 0.086 0.000 2.401 342 A HA 0.800 5.121 4.320 0.001 0.000 0.310 342 A C -0.777 176.859 177.584 0.086 0.000 1.075 342 A CA -0.505 51.584 52.037 0.087 0.000 0.746 342 A CB 1.787 20.833 19.000 0.077 0.000 1.277 342 A HN 1.074 nan 8.150 nan 0.000 0.425 343 C N 2.095 121.444 119.300 0.083 0.000 2.303 343 C HA 0.794 5.254 4.460 0.001 0.000 0.326 343 C C -0.310 174.778 174.990 0.162 0.000 1.285 343 C CA -0.150 58.918 59.018 0.083 0.000 1.675 343 C CB -0.245 27.482 27.740 -0.022 0.000 2.289 343 C HN 1.032 nan 8.230 nan 0.000 0.512 344 V N 6.961 127.004 119.914 0.216 0.000 3.007 344 V HA 0.682 4.802 4.120 0.001 0.000 0.311 344 V C 0.371 176.591 176.094 0.209 0.000 1.120 344 V CA -0.582 61.861 62.300 0.238 0.000 0.980 344 V CB 1.748 33.766 31.823 0.324 0.000 1.033 344 V HN 1.029 nan 8.190 nan 0.000 0.429 345 R N 3.582 124.167 120.500 0.140 0.000 3.333 345 R HA -0.213 4.128 4.340 0.001 0.000 0.256 345 R C 0.940 177.197 176.300 -0.073 0.000 1.010 345 R CA 0.865 56.991 56.100 0.043 0.000 0.680 345 R CB -1.443 28.898 30.300 0.069 0.000 1.102 345 R HN 1.349 nan 8.270 nan 0.000 0.440 346 S N -1.864 113.822 115.700 -0.023 0.000 1.694 346 S HA -0.354 4.116 4.470 0.001 0.000 0.236 346 S C 0.601 175.160 174.600 -0.069 0.000 0.821 346 S CA 2.123 60.292 58.200 -0.051 0.000 1.530 346 S CB -0.941 62.213 63.200 -0.076 0.000 1.703 346 S HN 0.921 nan 8.310 nan 0.000 0.517 347 N N 0.376 118.987 118.700 -0.149 0.000 2.282 347 N HA 0.469 5.210 4.740 0.001 0.000 0.240 347 N C -0.326 175.183 175.510 -0.003 0.000 1.182 347 N CA -0.294 52.690 53.050 -0.110 0.000 0.874 347 N CB 0.281 38.684 38.487 -0.139 0.000 1.126 347 N HN 0.469 nan 8.380 nan 0.000 0.516 348 F N 0.895 120.870 119.950 0.042 0.000 2.470 348 F HA 0.535 5.062 4.527 0.001 0.000 0.329 348 F C -0.118 175.722 175.800 0.067 0.000 1.072 348 F CA -1.281 56.758 58.000 0.066 0.000 0.989 348 F CB 1.818 40.875 39.000 0.095 0.000 1.193 348 F HN -0.133 nan 8.300 nan 0.000 0.481 349 L N 3.160 124.555 121.223 0.287 0.000 2.385 349 L HA 0.519 4.860 4.340 0.001 0.000 0.273 349 L C -1.113 175.826 176.870 0.115 0.000 0.990 349 L CA -1.029 53.898 54.840 0.145 0.000 0.821 349 L CB 2.165 44.265 42.059 0.069 0.000 1.279 349 L HN 0.244 nan 8.230 nan 0.000 0.412 350 V N 4.820 124.770 119.914 0.061 0.000 2.350 350 V HA 0.395 4.515 4.120 0.001 0.000 0.276 350 V C 0.055 176.017 176.094 -0.219 0.000 1.028 350 V CA -0.385 61.909 62.300 -0.010 0.000 0.860 350 V CB 1.507 33.325 31.823 -0.008 0.000 0.990 350 V HN 0.460 nan 8.190 nan 0.000 0.453 351 L N 4.639 125.700 121.223 -0.271 0.000 2.307 351 L HA 0.531 4.871 4.340 0.001 0.000 0.284 351 L C -0.285 176.179 176.870 -0.677 0.000 1.023 351 L CA -0.245 54.289 54.840 -0.511 0.000 0.810 351 L CB 1.687 43.470 42.059 -0.460 0.000 1.231 351 L HN 0.666 nan 8.230 nan 0.000 0.423 352 C N 4.103 122.738 119.300 -1.108 0.000 2.281 352 C HA 0.576 5.036 4.460 0.001 0.000 0.323 352 C C -0.209 174.312 174.990 -0.780 0.000 1.270 352 C CA -0.377 58.010 59.018 -1.052 0.000 1.559 352 C CB -0.308 26.288 27.740 -1.906 0.000 2.239 352 C HN 0.653 nan 8.230 nan 0.000 0.488 353 Y N 3.636 123.731 120.300 -0.342 0.000 2.534 353 Y HA 0.677 5.227 4.550 0.001 0.000 0.329 353 Y C -0.022 175.795 175.900 -0.138 0.000 1.154 353 Y CA -0.824 57.147 58.100 -0.214 0.000 1.192 353 Y CB 1.383 39.738 38.460 -0.174 0.000 1.275 353 Y HN 0.529 nan 8.280 nan 0.000 0.491 354 L N 2.429 123.713 121.223 0.101 0.000 2.316 354 L HA 0.355 4.696 4.340 0.001 0.000 0.280 354 L C -1.470 175.446 176.870 0.076 0.000 1.006 354 L CA -0.407 54.460 54.840 0.045 0.000 0.836 354 L CB 0.360 42.396 42.059 -0.038 0.000 1.221 354 L HN 0.647 nan 8.230 nan 0.000 0.418 355 H N 4.259 123.328 119.070 -0.001 0.000 2.595 355 H HA 0.366 4.923 4.556 0.001 0.000 0.313 355 H C -0.536 174.811 175.328 0.033 0.000 1.023 355 H CA -0.340 55.707 56.048 -0.002 0.000 1.218 355 H CB 0.588 30.341 29.762 -0.014 0.000 1.403 355 H HN 0.667 nan 8.280 nan 0.000 0.477 356 D N 4.591 124.786 120.400 -0.341 0.000 2.686 356 D HA -0.182 4.459 4.640 0.001 0.000 0.235 356 D C 0.298 176.557 176.300 -0.069 0.000 1.160 356 D CA 1.250 55.146 54.000 -0.174 0.000 0.645 356 D CB -1.176 39.547 40.800 -0.128 0.000 1.039 356 D HN 0.620 nan 8.370 nan 0.000 0.423 357 V N -2.761 117.076 119.914 -0.128 0.000 4.591 357 V HA -0.359 3.762 4.120 0.001 0.000 0.261 357 V C 0.590 176.818 176.094 0.223 0.000 0.425 357 V CA 1.851 64.171 62.300 0.032 0.000 0.826 357 V CB -1.962 29.892 31.823 0.051 0.000 0.812 357 V HN 0.519 nan 8.190 nan 0.000 1.340 358 K N 0.156 120.654 120.400 0.163 0.000 2.422 358 K HA 0.603 4.923 4.320 0.001 0.000 0.251 358 K C -0.252 176.438 176.600 0.150 0.000 0.933 358 K CA -0.710 55.688 56.287 0.186 0.000 0.798 358 K CB 2.066 34.711 32.500 0.242 0.000 1.238 358 K HN 0.360 nan 8.250 nan 0.000 0.428 359 N N 0.650 119.434 118.700 0.141 0.000 2.530 359 N HA 0.275 5.016 4.740 0.001 0.000 0.277 359 N C -0.853 174.729 175.510 0.119 0.000 1.168 359 N CA -0.124 52.995 53.050 0.115 0.000 0.979 359 N CB 1.053 39.612 38.487 0.120 0.000 1.141 359 N HN 0.568 nan 8.380 nan 0.000 0.459 360 T N -0.979 113.612 114.554 0.061 0.000 2.906 360 T HA 0.565 4.915 4.350 0.001 0.000 0.295 360 T C -0.812 173.874 174.700 -0.023 0.000 1.061 360 T CA -0.882 61.237 62.100 0.031 0.000 1.000 360 T CB 1.008 69.881 68.868 0.008 0.000 1.103 360 T HN 0.175 nan 8.240 nan 0.000 0.486 361 L N 1.685 122.891 121.223 -0.029 0.000 2.385 361 L HA 0.550 4.890 4.340 0.001 0.000 0.273 361 L C -0.635 176.258 176.870 0.039 0.000 0.990 361 L CA -0.696 54.109 54.840 -0.058 0.000 0.821 361 L CB 2.116 44.098 42.059 -0.128 0.000 1.279 361 L HN 0.787 nan 8.230 nan 0.000 0.412 362 Q N 3.101 122.927 119.800 0.045 0.000 2.389 362 Q HA 0.529 4.870 4.340 0.001 0.000 0.277 362 Q C -1.528 174.531 176.000 0.097 0.000 1.082 362 Q CA -0.948 54.867 55.803 0.021 0.000 0.810 362 Q CB 3.621 32.465 28.738 0.175 0.000 1.374 362 Q HN 0.345 nan 8.270 nan 0.000 0.422 363 L N 1.993 123.148 121.223 -0.113 0.000 2.307 363 L HA 0.440 4.780 4.340 0.001 0.000 0.284 363 L C -1.107 175.702 176.870 -0.101 0.000 1.023 363 L CA 0.053 54.843 54.840 -0.083 0.000 0.810 363 L CB 0.802 42.646 42.059 -0.358 0.000 1.231 363 L HN 0.611 nan 8.230 nan 0.000 0.423 364 H N 1.702 120.726 119.070 -0.075 0.000 2.797 364 H HA 0.273 4.830 4.556 0.001 0.000 0.372 364 H C -1.358 174.023 175.328 0.089 0.000 1.168 364 H CA -0.927 55.116 56.048 -0.009 0.000 1.163 364 H CB 2.243 32.015 29.762 0.017 0.000 1.778 364 H HN 0.565 nan 8.280 nan 0.000 0.551 365 D N 1.174 121.701 120.400 0.211 0.000 2.304 365 D HA -0.010 4.630 4.640 0.001 0.000 0.250 365 D C 0.902 177.301 176.300 0.165 0.000 1.107 365 D CA -0.448 53.683 54.000 0.218 0.000 0.885 365 D CB 1.146 42.029 40.800 0.140 0.000 1.192 365 D HN 0.286 nan 8.370 nan 0.000 0.436 366 L N 4.746 126.050 121.223 0.134 0.000 2.056 366 L HA 0.054 4.395 4.340 0.001 0.000 0.207 366 L C 1.933 178.824 176.870 0.035 0.000 1.078 366 L CA 2.227 57.106 54.840 0.064 0.000 0.749 366 L CB -0.838 41.235 42.059 0.023 0.000 0.901 366 L HN 0.588 nan 8.230 nan 0.000 0.433 367 A N -1.280 121.560 122.820 0.034 0.000 1.930 367 A HA -0.163 4.157 4.320 0.001 0.000 0.217 367 A C 2.246 179.851 177.584 0.035 0.000 1.175 367 A CA 2.262 54.312 52.037 0.022 0.000 0.627 367 A CB -0.993 18.016 19.000 0.015 0.000 0.815 367 A HN 0.611 nan 8.150 nan 0.000 0.443 368 T N -6.241 108.343 114.554 0.051 0.000 2.971 368 T HA 0.433 4.784 4.350 0.001 0.000 0.252 368 T C 1.444 176.188 174.700 0.074 0.000 1.022 368 T CA 1.083 63.216 62.100 0.054 0.000 0.980 368 T CB 0.416 69.312 68.868 0.047 0.000 1.044 368 T HN 1.713 nan 8.240 nan 0.000 0.501 369 G N 1.752 110.613 108.800 0.102 0.000 2.179 369 G HA2 -0.061 3.899 3.960 0.001 0.000 0.260 369 G HA3 -0.061 3.899 3.960 0.001 0.000 0.260 369 G C 0.380 175.428 174.900 0.247 0.000 0.977 369 G CA -0.001 45.191 45.100 0.153 0.000 0.641 369 G HN 1.243 nan 8.290 nan 0.000 0.533 370 A N -0.064 122.836 122.820 0.133 0.000 2.498 370 A HA 0.604 4.924 4.320 0.001 0.000 0.239 370 A C 0.621 178.137 177.584 -0.113 0.000 1.068 370 A CA 0.397 52.464 52.037 0.049 0.000 0.766 370 A CB 0.503 19.508 19.000 0.008 0.000 1.003 370 A HN 1.670 nan 8.150 nan 0.000 0.497 371 L N 2.537 123.567 121.223 -0.321 0.000 2.410 371 L HA 0.297 4.638 4.340 0.001 0.000 0.273 371 L C 0.463 177.103 176.870 -0.383 0.000 1.152 371 L CA 0.552 54.968 54.840 -0.707 0.000 0.855 371 L CB 0.153 41.925 42.059 -0.477 0.000 1.129 371 L HN 0.720 nan 8.230 nan 0.000 0.463 372 L N 2.886 123.871 121.223 -0.398 0.000 2.526 372 L HA 0.383 4.723 4.340 0.001 0.000 0.210 372 L C 0.187 176.864 176.870 -0.323 0.000 1.048 372 L CA -0.058 54.616 54.840 -0.277 0.000 0.852 372 L CB -0.009 41.908 42.059 -0.237 0.000 1.128 372 L HN 0.606 nan 8.230 nan 0.000 0.482 373 K N 0.294 120.435 120.400 -0.433 0.000 2.562 373 K HA 0.523 4.843 4.320 0.001 0.000 0.267 373 K C -1.733 174.495 176.600 -0.621 0.000 0.938 373 K CA -0.272 55.706 56.287 -0.516 0.000 0.840 373 K CB 1.827 33.942 32.500 -0.642 0.000 1.390 373 K HN -0.054 nan 8.250 nan 0.000 0.428 374 I N 4.428 124.684 120.570 -0.524 0.000 2.354 374 I HA 0.383 4.553 4.170 0.001 0.000 0.292 374 I C -0.671 175.165 176.117 -0.468 0.000 0.989 374 I CA -0.793 60.253 61.300 -0.423 0.000 1.188 374 I CB 0.944 38.796 38.000 -0.246 0.000 1.342 374 I HN 0.494 nan 8.210 nan 0.000 0.457 375 F N 7.645 127.492 119.950 -0.171 0.000 2.390 375 F HA 0.292 4.820 4.527 0.001 0.000 0.361 375 F C -1.629 174.065 175.800 -0.176 0.000 1.124 375 F CA -2.094 55.797 58.000 -0.181 0.000 1.149 375 F CB 0.470 39.298 39.000 -0.288 0.000 1.160 375 F HN 0.253 nan 8.300 nan 0.000 0.501 376 P HA 0.169 nan 4.420 nan 0.000 0.268 376 P C -0.894 176.326 177.300 -0.133 0.000 1.204 376 P CA 0.228 63.287 63.100 -0.070 0.000 0.768 376 P CB 1.364 33.026 31.700 -0.062 0.000 0.842 377 L N 1.554 122.703 121.223 -0.124 0.000 2.466 377 L HA 0.376 4.716 4.340 0.001 0.000 0.258 377 L C 0.552 177.307 176.870 -0.193 0.000 0.973 377 L CA -1.080 53.624 54.840 -0.226 0.000 0.826 377 L CB 2.289 44.291 42.059 -0.094 0.000 1.372 377 L HN 0.256 nan 8.230 nan 0.000 0.409 378 E N 0.705 120.671 120.200 -0.391 0.000 2.405 378 E HA 0.239 4.589 4.350 0.001 0.000 0.253 378 E C -0.591 176.102 176.600 0.155 0.000 1.257 378 E CA -0.554 55.775 56.400 -0.118 0.000 0.960 378 E CB 1.126 30.762 29.700 -0.106 0.000 1.077 378 E HN 0.182 nan 8.360 nan 0.000 0.512 379 V N 1.068 121.137 119.914 0.257 0.000 2.450 379 V HA 0.401 4.521 4.120 0.001 0.000 0.281 379 V C 0.878 177.210 176.094 0.397 0.000 1.019 379 V CA 1.404 63.886 62.300 0.302 0.000 1.062 379 V CB -0.057 31.907 31.823 0.235 0.000 0.979 379 V HN 0.803 nan 8.190 nan 0.000 0.477 380 G N 4.279 113.272 108.800 0.322 0.000 2.441 380 G HA2 0.422 4.382 3.960 0.001 0.000 0.225 380 G HA3 0.422 4.382 3.960 0.001 0.000 0.225 380 G C -1.019 173.830 174.900 -0.085 0.000 1.200 380 G CA -0.204 44.857 45.100 -0.064 0.000 0.947 380 G HN 0.598 nan 8.290 nan 0.000 0.484 381 S N -1.233 114.253 115.700 -0.357 0.000 2.542 381 S HA 0.673 5.144 4.470 0.001 0.000 0.293 381 S C -0.629 173.961 174.600 -0.015 0.000 1.089 381 S CA -0.500 57.625 58.200 -0.125 0.000 0.961 381 S CB 2.034 65.138 63.200 -0.161 0.000 1.062 381 S HN 0.834 nan 8.310 nan 0.000 0.483 382 V N 2.541 122.561 119.914 0.177 0.000 2.364 382 V HA 0.284 4.404 4.120 0.001 0.000 0.272 382 V C 0.543 176.791 176.094 0.257 0.000 1.036 382 V CA -0.146 62.345 62.300 0.318 0.000 0.880 382 V CB 1.257 33.334 31.823 0.422 0.000 0.991 382 V HN 0.764 nan 8.190 nan 0.000 0.460 383 V N 4.446 124.485 119.914 0.208 0.000 3.528 383 V HA 0.631 4.751 4.120 0.001 0.000 0.294 383 V C 0.714 176.900 176.094 0.154 0.000 1.404 383 V CA 0.973 63.357 62.300 0.140 0.000 1.065 383 V CB 0.236 32.105 31.823 0.077 0.000 0.904 383 V HN 0.880 nan 8.190 nan 0.000 0.435 384 G N -0.548 108.393 108.800 0.235 0.000 2.742 384 G HA2 0.557 4.517 3.960 0.001 0.000 0.296 384 G HA3 0.557 4.517 3.960 0.001 0.000 0.296 384 G C -2.277 172.828 174.900 0.342 0.000 1.436 384 G CA -0.502 44.733 45.100 0.226 0.000 0.928 384 G HN 0.221 nan 8.290 nan 0.000 0.520 385 Y N 0.961 121.328 120.300 0.111 0.000 2.521 385 Y HA 0.661 5.212 4.550 0.001 0.000 0.328 385 Y C -0.788 175.190 175.900 0.130 0.000 1.151 385 Y CA -0.626 57.567 58.100 0.155 0.000 1.054 385 Y CB 1.980 40.433 38.460 -0.011 0.000 1.338 385 Y HN 1.153 nan 8.280 nan 0.000 0.453 386 S N 3.186 118.368 115.700 -0.862 0.000 2.540 386 S HA 0.920 5.391 4.470 0.001 0.000 0.275 386 S C -0.604 173.557 174.600 -0.731 0.000 1.123 386 S CA -0.357 57.521 58.200 -0.536 0.000 0.907 386 S CB 1.655 64.883 63.200 0.046 0.000 1.081 386 S HN 2.015 nan 8.310 nan 0.000 0.476 387 G N 2.601 111.253 108.800 -0.247 0.000 2.145 387 G HA2 0.277 4.237 3.960 0.001 0.000 0.174 387 G HA3 0.277 4.237 3.960 0.001 0.000 0.174 387 G C -0.933 174.097 174.900 0.217 0.000 1.726 387 G CA -0.379 44.740 45.100 0.032 0.000 1.080 387 G HN 1.033 nan 8.290 nan 0.000 0.606 388 Q N 1.554 121.456 119.800 0.170 0.000 2.171 388 Q HA 0.548 4.889 4.340 0.001 0.000 0.217 388 Q C 1.461 177.551 176.000 0.149 0.000 0.995 388 Q CA -0.672 55.234 55.803 0.172 0.000 0.979 388 Q CB 1.636 30.462 28.738 0.146 0.000 1.152 388 Q HN 0.279 nan 8.270 nan 0.000 0.525 389 K N 0.328 120.804 120.400 0.127 0.000 2.074 389 K HA -0.216 4.104 4.320 0.001 0.000 0.209 389 K C 1.829 178.477 176.600 0.081 0.000 1.048 389 K CA 2.250 58.594 56.287 0.095 0.000 0.926 389 K CB -0.039 32.506 32.500 0.075 0.000 0.713 389 K HN 0.674 nan 8.250 nan 0.000 0.444 390 K N -0.243 120.206 120.400 0.081 0.000 2.459 390 K HA 0.018 4.339 4.320 0.001 0.000 0.193 390 K C -0.234 176.402 176.600 0.060 0.000 1.030 390 K CA 0.270 56.593 56.287 0.060 0.000 1.026 390 K CB 0.180 32.711 32.500 0.052 0.000 0.809 390 K HN -0.011 nan 8.250 nan 0.000 0.504 391 D N 2.349 122.798 120.400 0.082 0.000 2.344 391 D HA -0.009 4.632 4.640 0.001 0.000 0.244 391 D C 0.562 176.924 176.300 0.103 0.000 1.134 391 D CA 0.445 54.500 54.000 0.092 0.000 0.930 391 D CB 1.732 42.603 40.800 0.118 0.000 1.175 391 D HN 0.293 nan 8.370 nan 0.000 0.437 392 T N -2.424 112.194 114.554 0.106 0.000 3.252 392 T HA 0.234 4.584 4.350 0.001 0.000 0.286 392 T C 0.180 174.945 174.700 0.108 0.000 1.013 392 T CA -0.538 61.625 62.100 0.105 0.000 0.914 392 T CB 0.030 68.946 68.868 0.079 0.000 1.131 392 T HN 0.577 nan 8.240 nan 0.000 0.529 393 E N 0.959 121.225 120.200 0.111 0.000 2.423 393 E HA 0.619 4.969 4.350 0.001 0.000 0.280 393 E C -1.360 175.263 176.600 0.038 0.000 1.030 393 E CA -1.405 55.013 56.400 0.030 0.000 0.812 393 E CB 1.718 31.452 29.700 0.057 0.000 1.313 393 E HN 0.412 nan 8.360 nan 0.000 0.456 394 I N -1.745 118.771 120.570 -0.090 0.000 2.828 394 I HA 0.723 4.893 4.170 0.001 0.000 0.302 394 I C -1.455 174.568 176.117 -0.156 0.000 1.101 394 I CA -1.192 60.086 61.300 -0.037 0.000 1.031 394 I CB 1.665 39.719 38.000 0.090 0.000 1.231 394 I HN 0.436 nan 8.210 nan 0.000 0.427 395 F N 3.518 123.479 119.950 0.018 0.000 2.551 395 F HA 0.706 5.233 4.527 0.001 0.000 0.316 395 F C -0.836 175.066 175.800 0.171 0.000 1.089 395 F CA -0.530 57.483 58.000 0.022 0.000 0.915 395 F CB 2.208 41.179 39.000 -0.049 0.000 1.186 395 F HN 0.541 nan 8.300 nan 0.000 0.456 396 Y N -0.111 120.381 120.300 0.319 0.000 2.513 396 Y HA 0.606 5.156 4.550 0.001 0.000 0.340 396 Y C -1.362 174.783 175.900 0.409 0.000 1.055 396 Y CA -1.260 57.058 58.100 0.363 0.000 1.020 396 Y CB 1.360 40.045 38.460 0.375 0.000 1.301 396 Y HN 0.609 nan 8.280 nan 0.000 0.453 397 Q N 3.223 123.323 119.800 0.500 0.000 2.316 397 Q HA 0.531 4.872 4.340 0.001 0.000 0.264 397 Q C -2.061 174.219 176.000 0.466 0.000 0.987 397 Q CA -0.898 55.144 55.803 0.399 0.000 0.852 397 Q CB 1.764 30.678 28.738 0.293 0.000 1.287 397 Q HN 0.761 nan 8.270 nan 0.000 0.448 398 F N 2.062 122.190 119.950 0.297 0.000 2.492 398 F HA 0.712 5.239 4.527 0.001 0.000 0.327 398 F C -0.717 175.171 175.800 0.147 0.000 1.079 398 F CA -0.165 57.994 58.000 0.265 0.000 0.967 398 F CB 2.234 41.460 39.000 0.378 0.000 1.169 398 F HN 0.493 nan 8.300 nan 0.000 0.472 399 T N 2.715 116.752 114.554 -0.861 0.000 2.843 399 T HA 0.704 5.055 4.350 0.001 0.000 0.302 399 T C -1.322 172.833 174.700 -0.907 0.000 1.232 399 T CA -0.052 61.677 62.100 -0.619 0.000 1.009 399 T CB 1.232 69.963 68.868 -0.228 0.000 1.254 399 T HN 1.061 nan 8.240 nan 0.000 0.504 400 S N 0.850 116.275 115.700 -0.458 0.000 2.727 400 S HA 0.540 5.010 4.470 0.001 0.000 0.278 400 S C 0.334 174.832 174.600 -0.171 0.000 1.186 400 S CA -0.800 57.162 58.200 -0.397 0.000 0.836 400 S CB 0.261 63.364 63.200 -0.162 0.000 1.186 400 S HN 0.547 nan 8.310 nan 0.000 0.499 401 F N 0.347 120.269 119.950 -0.046 0.000 2.216 401 F HA 0.136 4.663 4.527 0.001 0.000 0.300 401 F C 1.881 177.745 175.800 0.107 0.000 1.085 401 F CA 1.150 59.141 58.000 -0.015 0.000 1.326 401 F CB -0.195 38.752 39.000 -0.089 0.000 1.027 401 F HN 0.324 nan 8.300 nan 0.000 0.497 402 L N -1.309 120.103 121.223 0.316 0.000 2.556 402 L HA 0.148 4.488 4.340 0.001 0.000 0.226 402 L C 0.647 177.673 176.870 0.259 0.000 1.089 402 L CA -0.086 54.930 54.840 0.293 0.000 0.864 402 L CB -0.127 42.064 42.059 0.220 0.000 1.067 402 L HN -0.036 nan 8.230 nan 0.000 0.477 403 S N -1.659 114.101 115.700 0.100 0.000 2.482 403 S HA 0.442 4.912 4.470 0.001 0.000 0.303 403 S C -2.231 171.995 174.600 -0.623 0.000 1.091 403 S CA -1.381 56.701 58.200 -0.197 0.000 1.057 403 S CB 1.934 65.128 63.200 -0.010 0.000 1.031 403 S HN -0.227 nan 8.310 nan 0.000 0.485 404 P HA 0.170 nan 4.420 nan 0.000 0.225 404 P C 0.738 177.865 177.300 -0.289 0.000 1.148 404 P CA 1.662 64.186 63.100 -0.959 0.000 0.779 404 P CB -0.339 30.909 31.700 -0.753 0.000 0.780 405 G N -1.184 107.517 108.800 -0.164 0.000 2.459 405 G HA2 0.023 3.983 3.960 0.001 0.000 0.685 405 G HA3 0.023 3.983 3.960 0.001 0.000 0.685 405 G C -1.480 173.450 174.900 0.050 0.000 1.303 405 G CA -0.903 44.211 45.100 0.022 0.000 0.907 405 G HN 0.040 nan 8.290 nan 0.000 0.632 406 I N 0.261 120.899 120.570 0.113 0.000 2.582 406 I HA 0.498 4.668 4.170 0.001 0.000 0.292 406 I C -0.100 175.937 176.117 -0.133 0.000 1.066 406 I CA -0.919 60.316 61.300 -0.109 0.000 1.053 406 I CB 2.222 40.024 38.000 -0.330 0.000 1.241 406 I HN 0.431 nan 8.210 nan 0.000 0.421 407 I N 5.777 126.239 120.570 -0.180 0.000 2.339 407 I HA 0.339 4.509 4.170 0.001 0.000 0.290 407 I C -0.905 175.086 176.117 -0.210 0.000 0.994 407 I CA -0.424 60.847 61.300 -0.049 0.000 1.191 407 I CB 0.921 38.994 38.000 0.122 0.000 1.343 407 I HN 0.382 nan 8.210 nan 0.000 0.458 408 Y N 4.597 124.757 120.300 -0.235 0.000 2.534 408 Y HA 0.497 5.047 4.550 0.001 0.000 0.329 408 Y C 0.159 175.830 175.900 -0.382 0.000 1.154 408 Y CA -0.526 57.324 58.100 -0.417 0.000 1.192 408 Y CB 1.265 39.139 38.460 -0.976 0.000 1.275 408 Y HN 0.467 nan 8.280 nan 0.000 0.491 409 H N 0.516 119.429 119.070 -0.261 0.000 2.894 409 H HA 0.551 5.107 4.556 0.001 0.000 0.367 409 H C -1.844 173.299 175.328 -0.308 0.000 1.144 409 H CA -0.766 54.954 56.048 -0.547 0.000 1.180 409 H CB 2.194 31.514 29.762 -0.737 0.000 1.758 409 H HN 0.812 nan 8.280 nan 0.000 0.541 410 C N 4.917 123.732 119.300 -0.808 0.000 2.516 410 C HA 0.171 4.631 4.460 0.001 0.000 0.338 410 C C -0.795 173.849 174.990 -0.577 0.000 1.132 410 C CA -0.675 58.035 59.018 -0.514 0.000 1.310 410 C CB 0.609 28.262 27.740 -0.145 0.000 1.898 410 C HN 0.890 nan 8.230 nan 0.000 0.452 411 D N 4.299 124.420 120.400 -0.465 0.000 2.336 411 D HA 0.208 4.849 4.640 0.001 0.000 0.249 411 D C 0.814 177.083 176.300 -0.052 0.000 1.213 411 D CA -0.019 53.838 54.000 -0.238 0.000 0.870 411 D CB 0.708 41.423 40.800 -0.141 0.000 1.076 411 D HN 0.685 nan 8.370 nan 0.000 0.483 412 L N 3.069 124.312 121.223 0.034 0.000 2.599 412 L HA 0.006 4.346 4.340 0.001 0.000 0.230 412 L C 2.133 179.120 176.870 0.195 0.000 1.141 412 L CA 0.512 55.461 54.840 0.181 0.000 0.877 412 L CB -0.320 41.934 42.059 0.325 0.000 1.009 412 L HN 0.468 nan 8.230 nan 0.000 0.447 413 T N -4.265 110.349 114.554 0.101 0.000 3.067 413 T HA 0.027 4.378 4.350 0.001 0.000 0.261 413 T C 1.027 175.767 174.700 0.067 0.000 1.110 413 T CA -0.054 62.091 62.100 0.075 0.000 1.113 413 T CB 0.028 68.925 68.868 0.049 0.000 0.917 413 T HN -0.051 nan 8.240 nan 0.000 0.499 414 K N 2.150 122.587 120.400 0.062 0.000 2.326 414 K HA 0.188 4.509 4.320 0.001 0.000 0.275 414 K C 1.070 177.706 176.600 0.061 0.000 1.018 414 K CA -0.193 56.122 56.287 0.046 0.000 0.962 414 K CB 0.912 33.428 32.500 0.027 0.000 0.953 414 K HN 0.191 nan 8.250 nan 0.000 0.475 415 E N 1.827 122.053 120.200 0.044 0.000 2.106 415 E HA -0.135 4.216 4.350 0.001 0.000 0.192 415 E C -0.257 176.363 176.600 0.034 0.000 0.984 415 E CA 1.239 57.666 56.400 0.044 0.000 0.806 415 E CB 0.245 29.961 29.700 0.027 0.000 0.750 415 E HN 0.531 nan 8.360 nan 0.000 0.458 416 E N 1.109 121.320 120.200 0.019 0.000 2.101 416 E HA 0.274 4.624 4.350 0.001 0.000 0.260 416 E C -0.509 176.094 176.600 0.005 0.000 0.897 416 E CA -0.287 56.115 56.400 0.004 0.000 0.744 416 E CB 1.110 30.809 29.700 -0.003 0.000 1.140 416 E HN 0.031 nan 8.360 nan 0.000 0.419 417 L N 3.139 124.362 121.223 0.000 0.000 2.455 417 L HA 0.111 4.452 4.340 0.001 0.000 0.272 417 L C 0.319 177.198 176.870 0.014 0.000 1.174 417 L CA 0.710 55.558 54.840 0.013 0.000 0.869 417 L CB 0.155 42.215 42.059 0.001 0.000 1.130 417 L HN 0.484 nan 8.230 nan 0.000 0.474 418 E N 4.916 125.132 120.200 0.027 0.000 2.580 418 E HA 0.258 4.608 4.350 0.001 0.000 0.248 418 E C -2.340 174.285 176.600 0.042 0.000 1.018 418 E CA -1.673 54.745 56.400 0.031 0.000 0.775 418 E CB 1.417 31.125 29.700 0.012 0.000 1.378 418 E HN 0.399 nan 8.360 nan 0.000 0.401 419 P HA 0.164 nan 4.420 nan 0.000 0.268 419 P C -0.505 176.855 177.300 0.100 0.000 1.205 419 P CA -0.287 62.877 63.100 0.106 0.000 0.771 419 P CB 1.039 32.877 31.700 0.230 0.000 0.858 420 R N 1.363 121.924 120.500 0.102 0.000 2.771 420 R HA 0.457 4.797 4.340 0.001 0.000 0.274 420 R C -1.113 175.276 176.300 0.150 0.000 0.987 420 R CA -1.014 55.158 56.100 0.120 0.000 0.908 420 R CB 1.540 31.884 30.300 0.074 0.000 1.213 420 R HN 0.182 nan 8.270 nan 0.000 0.468 421 V N 4.951 124.905 119.914 0.066 0.000 2.479 421 V HA 0.071 4.191 4.120 0.001 0.000 0.281 421 V C 0.533 176.602 176.094 -0.041 0.000 1.031 421 V CA 0.607 62.845 62.300 -0.104 0.000 1.038 421 V CB 0.647 32.373 31.823 -0.162 0.000 0.981 421 V HN 0.728 nan 8.190 nan 0.000 0.478 422 F N 4.667 124.490 119.950 -0.212 0.000 2.383 422 F HA 0.410 4.938 4.527 0.001 0.000 0.287 422 F C 1.067 176.707 175.800 -0.267 0.000 1.069 422 F CA 0.147 58.031 58.000 -0.194 0.000 1.402 422 F CB 0.453 39.389 39.000 -0.107 0.000 1.116 422 F HN 0.456 nan 8.300 nan 0.000 0.549 423 R N 1.011 121.394 120.500 -0.195 0.000 2.535 423 R HA 0.351 4.691 4.340 0.001 0.000 0.274 423 R C -1.957 174.214 176.300 -0.215 0.000 1.090 423 R CA -0.463 55.446 56.100 -0.319 0.000 0.930 423 R CB 1.282 31.368 30.300 -0.356 0.000 1.223 423 R HN 0.194 nan 8.270 nan 0.000 0.441 424 E N 3.826 123.906 120.200 -0.201 0.000 2.294 424 E HA 0.409 4.760 4.350 0.001 0.000 0.272 424 E C -1.434 175.117 176.600 -0.082 0.000 0.896 424 E CA -0.883 55.440 56.400 -0.130 0.000 0.802 424 E CB 1.687 31.299 29.700 -0.147 0.000 1.267 424 E HN 0.471 nan 8.360 nan 0.000 0.406 425 V N 1.269 121.170 119.914 -0.022 0.000 2.547 425 V HA 0.711 4.832 4.120 0.001 0.000 0.299 425 V C -0.175 175.888 176.094 -0.052 0.000 1.040 425 V CA -0.475 61.839 62.300 0.022 0.000 0.913 425 V CB 1.583 33.510 31.823 0.173 0.000 0.992 425 V HN 0.615 nan 8.190 nan 0.000 0.449 426 T N 3.388 117.915 114.554 -0.046 0.000 2.824 426 T HA 0.591 4.941 4.350 0.001 0.000 0.280 426 T C -0.642 173.998 174.700 -0.099 0.000 0.995 426 T CA -0.316 61.733 62.100 -0.085 0.000 1.009 426 T CB 1.261 70.100 68.868 -0.048 0.000 0.955 426 T HN 0.776 nan 8.240 nan 0.000 0.452 427 V N 7.130 126.943 119.914 -0.167 0.000 2.334 427 V HA 0.337 4.457 4.120 0.001 0.000 0.267 427 V C 0.515 176.590 176.094 -0.031 0.000 1.040 427 V CA -0.694 61.514 62.300 -0.152 0.000 0.866 427 V CB 0.752 32.414 31.823 -0.269 0.000 1.019 427 V HN 0.819 nan 8.190 nan 0.000 0.468 428 K N 3.164 123.570 120.400 0.010 0.000 2.326 428 K HA 0.490 4.810 4.320 0.001 0.000 0.275 428 K C 1.266 177.897 176.600 0.052 0.000 1.018 428 K CA 0.652 56.958 56.287 0.031 0.000 0.962 428 K CB 0.825 33.347 32.500 0.037 0.000 0.953 428 K HN 0.957 nan 8.250 nan 0.000 0.475 429 G N 2.015 110.847 108.800 0.055 0.000 2.254 429 G HA2 -0.233 3.727 3.960 0.001 0.000 0.225 429 G HA3 -0.233 3.727 3.960 0.001 0.000 0.225 429 G C 0.065 175.014 174.900 0.082 0.000 1.003 429 G CA -0.466 44.679 45.100 0.075 0.000 0.622 429 G HN 0.527 nan 8.290 nan 0.000 0.507 430 I N 1.901 122.522 120.570 0.085 0.000 2.382 430 I HA 0.352 4.522 4.170 0.001 0.000 0.285 430 I C -1.134 175.067 176.117 0.140 0.000 1.007 430 I CA -0.745 60.634 61.300 0.131 0.000 1.142 430 I CB 1.769 39.844 38.000 0.126 0.000 1.289 430 I HN 0.032 nan 8.210 nan 0.000 0.453 431 D N 5.404 125.893 120.400 0.149 0.000 2.396 431 D HA 0.348 4.989 4.640 0.001 0.000 0.225 431 D C 0.947 177.329 176.300 0.137 0.000 1.121 431 D CA -0.180 53.865 54.000 0.075 0.000 0.853 431 D CB 1.897 42.682 40.800 -0.025 0.000 1.043 431 D HN 0.639 nan 8.370 nan 0.000 0.500 432 A N 2.929 125.846 122.820 0.162 0.000 1.978 432 A HA -0.160 4.161 4.320 0.001 0.000 0.220 432 A C 2.131 179.789 177.584 0.124 0.000 1.170 432 A CA 1.405 53.576 52.037 0.223 0.000 0.636 432 A CB -0.222 18.867 19.000 0.148 0.000 0.810 432 A HN 0.547 nan 8.150 nan 0.000 0.448 433 S N 0.226 115.936 115.700 0.017 0.000 2.469 433 S HA -0.105 4.365 4.470 0.001 0.000 0.238 433 S C 1.097 175.615 174.600 -0.136 0.000 0.998 433 S CA 1.201 59.379 58.200 -0.036 0.000 0.957 433 S CB -0.309 62.869 63.200 -0.037 0.000 0.764 433 S HN 0.611 nan 8.310 nan 0.000 0.514 434 D N -0.092 120.121 120.400 -0.312 0.000 2.347 434 D HA 0.085 4.725 4.640 0.001 0.000 0.215 434 D C -0.066 175.802 176.300 -0.720 0.000 0.976 434 D CA 0.677 54.330 54.000 -0.578 0.000 0.884 434 D CB 0.086 40.370 40.800 -0.859 0.000 0.915 434 D HN 0.408 nan 8.370 nan 0.000 0.526 435 Y N -0.009 120.268 120.300 -0.039 0.000 2.602 435 Y HA 0.510 5.060 4.550 0.001 0.000 0.330 435 Y C 0.422 176.269 175.900 -0.088 0.000 1.114 435 Y CA -1.142 56.917 58.100 -0.068 0.000 1.182 435 Y CB 1.200 39.627 38.460 -0.055 0.000 1.305 435 Y HN -0.374 nan 8.280 nan 0.000 0.502 436 Q N 0.099 119.890 119.800 -0.014 0.000 2.315 436 Q HA 0.544 4.884 4.340 0.001 0.000 0.273 436 Q C -1.807 174.107 176.000 -0.144 0.000 1.053 436 Q CA -0.679 55.059 55.803 -0.108 0.000 0.817 436 Q CB 2.147 30.753 28.738 -0.221 0.000 1.326 436 Q HN 0.793 nan 8.270 nan 0.000 0.423 437 T N 2.926 117.476 114.554 -0.007 0.000 2.786 437 T HA 0.530 4.880 4.350 0.001 0.000 0.283 437 T C -0.731 174.043 174.700 0.122 0.000 0.992 437 T CA -0.507 61.622 62.100 0.048 0.000 0.954 437 T CB 1.013 69.971 68.868 0.150 0.000 0.934 437 T HN 0.467 nan 8.240 nan 0.000 0.440 438 V N 1.884 121.885 119.914 0.144 0.000 2.769 438 V HA 0.734 4.854 4.120 0.001 0.000 0.312 438 V C -0.762 175.446 176.094 0.189 0.000 1.061 438 V CA -1.107 61.302 62.300 0.182 0.000 0.931 438 V CB 2.018 33.960 31.823 0.199 0.000 1.010 438 V HN 0.843 nan 8.190 nan 0.000 0.433 439 Q N 2.678 122.556 119.800 0.130 0.000 2.331 439 Q HA 0.751 5.092 4.340 0.001 0.000 0.267 439 Q C -1.147 174.736 176.000 -0.194 0.000 1.006 439 Q CA -0.753 54.996 55.803 -0.090 0.000 0.818 439 Q CB 1.909 30.565 28.738 -0.138 0.000 1.276 439 Q HN 0.966 nan 8.270 nan 0.000 0.450 440 I N -0.575 119.773 120.570 -0.369 0.000 3.108 440 I HA 0.670 4.841 4.170 0.001 0.000 0.312 440 I C -1.483 174.242 176.117 -0.654 0.000 1.095 440 I CA -0.891 60.235 61.300 -0.289 0.000 1.000 440 I CB 1.618 39.562 38.000 -0.093 0.000 1.229 440 I HN 0.423 nan 8.210 nan 0.000 0.454 441 F N 2.872 122.774 119.950 -0.080 0.000 2.499 441 F HA 0.583 5.110 4.527 0.001 0.000 0.333 441 F C -0.759 174.980 175.800 -0.101 0.000 1.138 441 F CA -0.519 57.408 58.000 -0.122 0.000 0.945 441 F CB 1.510 40.446 39.000 -0.107 0.000 1.181 441 F HN 0.528 nan 8.300 nan 0.000 0.435 442 Y N 2.423 122.674 120.300 -0.082 0.000 2.420 442 Y HA 0.821 5.371 4.550 0.001 0.000 0.334 442 Y C -3.081 172.852 175.900 0.054 0.000 1.094 442 Y CA -3.789 54.269 58.100 -0.070 0.000 1.126 442 Y CB 1.080 39.370 38.460 -0.283 0.000 1.217 442 Y HN 0.257 nan 8.280 nan 0.000 0.462 443 P HA 0.117 nan 4.420 nan 0.000 0.285 443 P C -0.415 176.984 177.300 0.165 0.000 1.259 443 P CA -0.136 63.021 63.100 0.094 0.000 0.794 443 P CB 2.052 33.821 31.700 0.115 0.000 0.940 444 S N 1.902 117.638 115.700 0.062 0.000 2.671 444 S HA 0.147 4.617 4.470 0.001 0.000 0.272 444 S C 1.551 176.195 174.600 0.074 0.000 1.174 444 S CA -0.522 57.741 58.200 0.105 0.000 1.004 444 S CB 0.398 63.612 63.200 0.024 0.000 1.077 444 S HN 0.479 nan 8.310 nan 0.000 0.553 445 K N 0.323 120.759 120.400 0.060 0.000 2.044 445 K HA -0.185 4.136 4.320 0.001 0.000 0.210 445 K C 0.972 177.583 176.600 0.018 0.000 1.049 445 K CA 2.266 58.576 56.287 0.040 0.000 0.927 445 K CB -0.478 32.040 32.500 0.030 0.000 0.713 445 K HN 0.750 nan 8.250 nan 0.000 0.443 446 D N -1.805 118.593 120.400 -0.004 0.000 2.328 446 D HA 0.056 4.696 4.640 0.001 0.000 0.226 446 D C 1.018 177.311 176.300 -0.012 0.000 1.066 446 D CA 0.780 54.771 54.000 -0.016 0.000 0.861 446 D CB 0.381 41.157 40.800 -0.041 0.000 0.912 446 D HN 0.465 nan 8.370 nan 0.000 0.521 447 G N -0.570 108.231 108.800 0.001 0.000 2.217 447 G HA2 -0.275 3.685 3.960 0.001 0.000 0.246 447 G HA3 -0.275 3.685 3.960 0.001 0.000 0.246 447 G C 0.496 175.391 174.900 -0.008 0.000 0.990 447 G CA 0.213 45.315 45.100 0.004 0.000 0.627 447 G HN 0.458 nan 8.290 nan 0.000 0.522 448 T N 3.218 117.758 114.554 -0.024 0.000 2.902 448 T HA 0.389 4.739 4.350 0.001 0.000 0.301 448 T C 0.429 175.114 174.700 -0.025 0.000 1.012 448 T CA 0.269 62.357 62.100 -0.021 0.000 1.151 448 T CB 0.991 69.830 68.868 -0.048 0.000 0.946 448 T HN 0.160 nan 8.240 nan 0.000 0.542 449 K N 3.711 124.106 120.400 -0.008 0.000 2.312 449 K HA 0.316 4.636 4.320 0.001 0.000 0.287 449 K C -0.137 176.479 176.600 0.028 0.000 1.062 449 K CA -0.420 55.849 56.287 -0.029 0.000 0.934 449 K CB 0.686 33.166 32.500 -0.033 0.000 1.027 449 K HN 0.428 nan 8.250 nan 0.000 0.478 450 I N 5.418 125.844 120.570 -0.241 0.000 2.404 450 I HA 0.329 4.499 4.170 0.001 0.000 0.293 450 I C -2.295 173.668 176.117 -0.257 0.000 0.992 450 I CA -3.168 58.000 61.300 -0.219 0.000 1.149 450 I CB 1.265 38.836 38.000 -0.716 0.000 1.315 450 I HN 0.160 nan 8.210 nan 0.000 0.446 451 P HA 0.461 nan 4.420 nan 0.000 0.277 451 P C -0.768 176.376 177.300 -0.260 0.000 1.240 451 P CA -0.572 62.289 63.100 -0.399 0.000 0.798 451 P CB 1.019 32.525 31.700 -0.323 0.000 0.979 452 M N 2.692 122.047 119.600 -0.408 0.000 2.322 452 M HA 0.459 4.940 4.480 0.001 0.000 0.285 452 M C -1.923 174.199 176.300 -0.296 0.000 1.119 452 M CA -0.486 54.695 55.300 -0.198 0.000 0.953 452 M CB 1.200 33.792 32.600 -0.014 0.000 1.701 452 M HN 0.061 nan 8.290 nan 0.000 0.479 453 F N 5.082 125.025 119.950 -0.012 0.000 2.394 453 F HA 0.629 5.157 4.527 0.001 0.000 0.340 453 F C -0.206 175.516 175.800 -0.129 0.000 1.105 453 F CA -0.508 57.470 58.000 -0.037 0.000 1.124 453 F CB 1.203 40.241 39.000 0.063 0.000 1.145 453 F HN 0.384 nan 8.300 nan 0.000 0.505 454 I N 3.705 124.315 120.570 0.067 0.000 2.466 454 I HA 0.406 4.576 4.170 0.001 0.000 0.289 454 I C -1.226 174.880 176.117 -0.019 0.000 1.026 454 I CA -0.901 60.386 61.300 -0.021 0.000 1.078 454 I CB 1.988 39.935 38.000 -0.089 0.000 1.249 454 I HN 0.165 nan 8.210 nan 0.000 0.429 455 V N 5.844 125.709 119.914 -0.082 0.000 2.448 455 V HA 0.567 4.687 4.120 0.001 0.000 0.295 455 V C -0.740 175.378 176.094 0.041 0.000 1.025 455 V CA -0.454 61.773 62.300 -0.122 0.000 0.859 455 V CB 1.436 33.091 31.823 -0.280 0.000 0.988 455 V HN 0.963 nan 8.190 nan 0.000 0.431 456 H N 2.016 121.124 119.070 0.063 0.000 2.981 456 H HA 0.624 5.180 4.556 0.001 0.000 0.327 456 H C -0.996 174.434 175.328 0.170 0.000 1.342 456 H CA -1.247 54.854 56.048 0.089 0.000 1.123 456 H CB 1.094 30.904 29.762 0.080 0.000 1.851 456 H HN 0.374 nan 8.280 nan 0.000 0.531 457 K N 1.375 121.964 120.400 0.314 0.000 2.401 457 K HA 0.152 4.472 4.320 0.001 0.000 0.278 457 K C -0.336 176.371 176.600 0.178 0.000 1.018 457 K CA -0.438 55.958 56.287 0.183 0.000 0.981 457 K CB 0.660 33.206 32.500 0.075 0.000 0.933 457 K HN 0.419 nan 8.250 nan 0.000 0.477 458 K N 0.555 120.967 120.400 0.020 0.000 2.436 458 K HA -0.004 4.316 4.320 0.001 0.000 0.275 458 K C 0.988 177.618 176.600 0.050 0.000 0.999 458 K CA 0.823 57.137 56.287 0.044 0.000 0.980 458 K CB 0.477 32.959 32.500 -0.030 0.000 0.919 458 K HN 0.899 nan 8.250 nan 0.000 0.484 459 G N 2.180 111.027 108.800 0.077 0.000 2.184 459 G HA2 -0.279 3.681 3.960 0.001 0.000 0.264 459 G HA3 -0.279 3.681 3.960 0.001 0.000 0.264 459 G C 0.322 175.230 174.900 0.012 0.000 0.975 459 G CA 0.436 45.557 45.100 0.034 0.000 0.642 459 G HN 0.737 nan 8.290 nan 0.000 0.536 460 I N -1.588 118.981 120.570 -0.002 0.000 2.892 460 I HA 0.502 4.672 4.170 0.001 0.000 0.287 460 I C 0.460 176.545 176.117 -0.053 0.000 1.205 460 I CA -0.292 60.967 61.300 -0.068 0.000 1.409 460 I CB 0.466 38.291 38.000 -0.290 0.000 1.367 460 I HN -0.027 nan 8.210 nan 0.000 0.597 461 K N 5.622 126.049 120.400 0.045 0.000 2.234 461 K HA 0.421 4.741 4.320 0.001 0.000 0.282 461 K C -0.595 176.038 176.600 0.055 0.000 1.039 461 K CA -0.522 55.781 56.287 0.026 0.000 0.928 461 K CB 1.443 33.958 32.500 0.025 0.000 1.039 461 K HN 0.582 nan 8.250 nan 0.000 0.470 462 L N 4.562 125.729 121.223 -0.093 0.000 2.480 462 L HA 0.044 4.384 4.340 0.001 0.000 0.243 462 L C 0.279 177.079 176.870 -0.117 0.000 1.315 462 L CA -0.083 54.650 54.840 -0.178 0.000 1.231 462 L CB -0.615 41.227 42.059 -0.362 0.000 1.444 462 L HN 0.700 nan 8.230 nan 0.000 0.409 463 D N -0.746 119.607 120.400 -0.077 0.000 2.395 463 D HA 0.088 4.728 4.640 0.001 0.000 0.213 463 D C 1.320 177.547 176.300 -0.121 0.000 1.110 463 D CA 0.210 54.149 54.000 -0.102 0.000 0.835 463 D CB 0.625 41.364 40.800 -0.101 0.000 0.965 463 D HN 0.355 nan 8.370 nan 0.000 0.505 464 G N 0.753 109.487 108.800 -0.109 0.000 2.155 464 G HA2 -0.359 3.602 3.960 0.001 0.000 0.257 464 G HA3 -0.359 3.602 3.960 0.001 0.000 0.257 464 G C 1.050 175.870 174.900 -0.135 0.000 0.983 464 G CA 0.854 45.907 45.100 -0.078 0.000 0.676 464 G HN 0.707 nan 8.290 nan 0.000 0.528 465 S N -0.380 115.122 115.700 -0.329 0.000 2.558 465 S HA 0.187 4.658 4.470 0.001 0.000 0.217 465 S C 0.797 175.192 174.600 -0.341 0.000 0.975 465 S CA 0.132 58.124 58.200 -0.346 0.000 0.912 465 S CB -0.002 62.966 63.200 -0.387 0.000 0.776 465 S HN 0.625 nan 8.310 nan 0.000 0.526 466 H N 3.186 122.272 119.070 0.026 0.000 2.502 466 H HA 0.431 4.987 4.556 0.001 0.000 0.327 466 H C -2.756 172.630 175.328 0.096 0.000 1.099 466 H CA -2.233 53.840 56.048 0.042 0.000 1.323 466 H CB 0.528 30.315 29.762 0.041 0.000 1.450 466 H HN 0.261 nan 8.280 nan 0.000 0.502 467 P HA 0.270 nan 4.420 nan 0.000 0.275 467 P C -0.819 176.739 177.300 0.430 0.000 1.228 467 P CA -0.363 62.917 63.100 0.301 0.000 0.786 467 P CB 1.171 33.053 31.700 0.304 0.000 0.927 468 A N 2.736 125.856 122.820 0.500 0.000 2.413 468 A HA 0.702 5.023 4.320 0.001 0.000 0.307 468 A C -1.719 176.180 177.584 0.525 0.000 1.087 468 A CA -0.615 51.737 52.037 0.525 0.000 0.750 468 A CB 1.205 20.394 19.000 0.315 0.000 1.296 468 A HN 0.482 nan 8.150 nan 0.000 0.423 469 F N 2.247 122.373 119.950 0.294 0.000 2.434 469 F HA 0.576 5.103 4.527 0.001 0.000 0.355 469 F C -1.057 174.823 175.800 0.133 0.000 1.115 469 F CA -0.826 57.206 58.000 0.054 0.000 1.010 469 F CB 1.412 40.263 39.000 -0.248 0.000 1.234 469 F HN 0.474 nan 8.300 nan 0.000 0.439 470 L N 8.170 129.358 121.223 -0.058 0.000 2.280 470 L HA 0.451 4.791 4.340 0.001 0.000 0.287 470 L C -1.858 175.076 176.870 0.107 0.000 1.023 470 L CA -0.615 54.245 54.840 0.033 0.000 0.819 470 L CB 0.711 42.713 42.059 -0.095 0.000 1.212 470 L HN 0.601 nan 8.230 nan 0.000 0.420 471 Y N 4.298 124.698 120.300 0.166 0.000 2.446 471 Y HA 0.828 5.378 4.550 0.001 0.000 0.338 471 Y C 0.106 176.210 175.900 0.340 0.000 1.055 471 Y CA -0.060 58.162 58.100 0.203 0.000 1.101 471 Y CB 1.954 40.555 38.460 0.235 0.000 1.221 471 Y HN 0.737 nan 8.280 nan 0.000 0.460 472 G N 3.189 111.628 108.800 -0.601 0.000 2.677 472 G HA2 0.300 4.260 3.960 0.001 0.000 0.291 472 G HA3 0.300 4.260 3.960 0.001 0.000 0.291 472 G C -2.059 172.426 174.900 -0.690 0.000 1.435 472 G CA -0.438 44.361 45.100 -0.501 0.000 0.826 472 G HN 0.651 nan 8.290 nan 0.000 0.491 473 Y N 0.259 120.295 120.300 -0.440 0.000 3.224 473 Y HA 0.478 5.028 4.550 0.001 0.000 0.184 473 Y C 1.517 177.271 175.900 -0.242 0.000 0.891 473 Y CA 1.522 59.438 58.100 -0.308 0.000 1.736 473 Y CB 0.521 38.917 38.460 -0.107 0.000 1.411 473 Y HN 1.720 nan 8.280 nan 0.000 0.402 474 G N 1.024 109.789 108.800 -0.059 0.000 2.470 474 G HA2 0.349 4.309 3.960 0.001 0.000 0.286 474 G HA3 0.349 4.309 3.960 0.001 0.000 0.286 474 G C -0.018 174.701 174.900 -0.301 0.000 1.115 474 G CA 0.420 45.410 45.100 -0.183 0.000 1.122 474 G HN 1.368 nan 8.290 nan 0.000 0.522 475 G N -1.396 107.339 108.800 -0.109 0.000 2.338 475 G HA2 0.622 4.582 3.960 0.001 0.000 0.295 475 G HA3 0.622 4.582 3.960 0.001 0.000 0.295 475 G C 0.039 174.980 174.900 0.069 0.000 1.461 475 G CA 0.156 45.121 45.100 -0.225 0.000 0.817 475 G HN 1.440 nan 8.290 nan 0.000 0.556 476 F N -0.297 119.619 119.950 -0.057 0.000 3.100 476 F HA -0.262 4.265 4.527 0.001 0.000 0.284 476 F C 1.355 176.937 175.800 -0.364 0.000 0.875 476 F CA 1.310 59.200 58.000 -0.184 0.000 1.039 476 F CB -1.332 37.638 39.000 -0.050 0.000 1.111 476 F HN 1.066 nan 8.300 nan 0.000 0.575 477 N N -0.097 118.323 118.700 -0.465 0.000 2.741 477 N HA -0.241 4.500 4.740 0.001 0.000 0.251 477 N C -0.248 175.247 175.510 -0.024 0.000 1.112 477 N CA 1.143 54.022 53.050 -0.284 0.000 0.750 477 N CB -0.891 37.375 38.487 -0.369 0.000 1.119 477 N HN 0.583 nan 8.380 nan 0.000 0.561 478 I N 0.607 121.223 120.570 0.076 0.000 2.371 478 I HA 0.127 4.298 4.170 0.001 0.000 0.290 478 I C 0.327 176.498 176.117 0.090 0.000 1.028 478 I CA -0.355 60.980 61.300 0.059 0.000 1.345 478 I CB 1.247 39.243 38.000 -0.007 0.000 1.407 478 I HN 0.069 nan 8.210 nan 0.000 0.501 479 S N 6.928 122.657 115.700 0.048 0.000 2.457 479 S HA 0.441 4.911 4.470 0.001 0.000 0.289 479 S C 0.023 174.670 174.600 0.078 0.000 1.163 479 S CA -0.554 57.685 58.200 0.065 0.000 1.078 479 S CB 0.915 64.123 63.200 0.013 0.000 0.987 479 S HN 0.279 nan 8.310 nan 0.000 0.482 480 I N 4.835 125.494 120.570 0.148 0.000 2.256 480 I HA 0.174 4.344 4.170 0.001 0.000 0.294 480 I C 1.129 177.381 176.117 0.224 0.000 1.127 480 I CA -0.204 61.213 61.300 0.195 0.000 1.247 480 I CB -0.732 37.457 38.000 0.316 0.000 1.460 480 I HN 0.594 nan 8.210 nan 0.000 0.511 481 T N 4.122 118.740 114.554 0.105 0.000 2.912 481 T HA 0.580 4.930 4.350 0.001 0.000 0.280 481 T C -2.620 171.943 174.700 -0.229 0.000 0.989 481 T CA -2.168 59.953 62.100 0.036 0.000 0.995 481 T CB 1.319 70.185 68.868 -0.004 0.000 1.077 481 T HN 0.151 nan 8.240 nan 0.000 0.531 482 P HA 0.287 nan 4.420 nan 0.000 0.262 482 P C -0.790 176.013 177.300 -0.828 0.000 1.182 482 P CA 0.193 62.495 63.100 -1.331 0.000 0.761 482 P CB 0.190 31.144 31.700 -1.243 0.000 0.795 483 N N 1.691 119.907 118.700 -0.808 0.000 2.396 483 N HA 0.300 5.040 4.740 0.001 0.000 0.275 483 N C -1.940 173.492 175.510 -0.130 0.000 1.218 483 N CA -0.721 52.138 53.050 -0.319 0.000 0.812 483 N CB 0.823 39.212 38.487 -0.164 0.000 1.592 483 N HN 0.168 nan 8.380 nan 0.000 0.480 484 Y N 1.631 121.857 120.300 -0.122 0.000 2.365 484 Y HA 0.503 5.053 4.550 0.001 0.000 0.340 484 Y C -0.440 175.490 175.900 0.050 0.000 1.016 484 Y CA 0.071 58.159 58.100 -0.020 0.000 1.196 484 Y CB 0.745 39.203 38.460 -0.003 0.000 1.167 484 Y HN 0.391 nan 8.280 nan 0.000 0.509 485 S N 5.448 120.875 115.700 -0.455 0.000 2.756 485 S HA 0.356 4.826 4.470 0.001 0.000 0.303 485 S C 0.175 174.488 174.600 -0.478 0.000 1.135 485 S CA -0.734 57.276 58.200 -0.318 0.000 1.066 485 S CB 0.713 63.825 63.200 -0.146 0.000 1.008 485 S HN 0.612 nan 8.310 nan 0.000 0.482 486 V N 4.929 124.646 119.914 -0.328 0.000 2.427 486 V HA -0.124 3.996 4.120 0.001 0.000 0.248 486 V C 2.686 178.691 176.094 -0.148 0.000 1.051 486 V CA 2.379 64.562 62.300 -0.196 0.000 1.048 486 V CB -0.952 30.966 31.823 0.158 0.000 0.666 486 V HN 0.976 nan 8.190 nan 0.000 0.456 487 S N 0.797 116.440 115.700 -0.095 0.000 2.370 487 S HA -0.265 4.205 4.470 0.001 0.000 0.226 487 S C 2.058 176.510 174.600 -0.248 0.000 1.033 487 S CA 1.528 59.702 58.200 -0.043 0.000 1.011 487 S CB -0.500 62.769 63.200 0.115 0.000 0.852 487 S HN 0.586 nan 8.310 nan 0.000 0.457 488 R N 0.851 121.209 120.500 -0.236 0.000 2.090 488 R HA 0.228 4.569 4.340 0.001 0.000 0.228 488 R C 2.359 178.531 176.300 -0.214 0.000 1.110 488 R CA 1.188 57.121 56.100 -0.278 0.000 0.973 488 R CB -0.567 29.618 30.300 -0.192 0.000 0.869 488 R HN 0.404 nan 8.270 nan 0.000 0.440 489 L N 0.388 121.458 121.223 -0.255 0.000 2.201 489 L HA -0.128 4.213 4.340 0.001 0.000 0.212 489 L C 2.192 178.916 176.870 -0.243 0.000 1.105 489 L CA 1.009 55.668 54.840 -0.301 0.000 0.775 489 L CB -0.270 41.578 42.059 -0.353 0.000 0.913 489 L HN 0.190 nan 8.230 nan 0.000 0.440 490 I N -0.977 119.482 120.570 -0.186 0.000 2.315 490 I HA -0.306 3.864 4.170 0.001 0.000 0.248 490 I C 2.429 178.494 176.117 -0.086 0.000 1.117 490 I CA 1.169 62.406 61.300 -0.106 0.000 1.404 490 I CB -0.223 37.645 38.000 -0.222 0.000 1.071 490 I HN 0.172 nan 8.210 nan 0.000 0.419 491 F N 1.263 121.022 119.950 -0.318 0.000 2.134 491 F HA -0.184 4.343 4.527 0.001 0.000 0.299 491 F C 2.235 177.960 175.800 -0.126 0.000 1.097 491 F CA 1.520 59.373 58.000 -0.244 0.000 1.264 491 F CB -0.398 38.357 39.000 -0.408 0.000 1.001 491 F HN -0.227 nan 8.300 nan 0.000 0.479 492 V N 0.777 120.559 119.914 -0.219 0.000 2.244 492 V HA -0.258 3.862 4.120 0.001 0.000 0.244 492 V C 2.534 178.479 176.094 -0.249 0.000 1.042 492 V CA 2.274 64.414 62.300 -0.266 0.000 1.006 492 V CB -0.758 30.925 31.823 -0.233 0.000 0.641 492 V HN 0.275 nan 8.190 nan 0.000 0.446 493 R N -0.284 120.054 120.500 -0.270 0.000 2.062 493 R HA -0.094 4.247 4.340 0.001 0.000 0.229 493 R C 2.154 178.105 176.300 -0.581 0.000 1.128 493 R CA 1.786 57.680 56.100 -0.343 0.000 0.960 493 R CB -0.594 29.461 30.300 -0.407 0.000 0.855 493 R HN 0.625 nan 8.270 nan 0.000 0.432 494 H N -1.207 117.608 119.070 -0.424 0.000 2.575 494 H HA 0.247 4.804 4.556 0.001 0.000 0.267 494 H C 0.802 175.757 175.328 -0.621 0.000 0.966 494 H CA 0.801 56.385 56.048 -0.774 0.000 1.165 494 H CB 0.503 29.426 29.762 -1.398 0.000 1.433 494 H HN 0.251 nan 8.280 nan 0.000 0.544 495 M N -0.990 118.437 119.600 -0.288 0.000 2.347 495 M HA 0.230 4.710 4.480 0.001 0.000 0.324 495 M C 0.916 177.045 176.300 -0.285 0.000 1.028 495 M CA 0.061 55.252 55.300 -0.182 0.000 0.988 495 M CB 1.604 34.193 32.600 -0.018 0.000 1.528 495 M HN 0.202 nan 8.290 nan 0.000 0.550 496 G N 1.436 110.061 108.800 -0.292 0.000 2.258 496 G HA2 -0.213 3.748 3.960 0.001 0.000 0.274 496 G HA3 -0.213 3.748 3.960 0.001 0.000 0.274 496 G C 0.265 175.011 174.900 -0.257 0.000 1.021 496 G CA 0.143 45.121 45.100 -0.204 0.000 0.798 496 G HN 0.609 nan 8.290 nan 0.000 0.507 497 G N -1.862 106.586 108.800 -0.586 0.000 2.528 497 G HA2 0.661 4.622 3.960 0.001 0.000 0.289 497 G HA3 0.661 4.622 3.960 0.001 0.000 0.289 497 G C -0.344 174.472 174.900 -0.141 0.000 1.192 497 G CA -0.140 44.569 45.100 -0.650 0.000 0.921 497 G HN 0.882 nan 8.290 nan 0.000 0.512 498 V N 0.726 120.740 119.914 0.167 0.000 2.495 498 V HA 0.400 4.521 4.120 0.001 0.000 0.298 498 V C -0.352 175.964 176.094 0.370 0.000 1.031 498 V CA -0.676 61.769 62.300 0.240 0.000 0.871 498 V CB 1.345 33.308 31.823 0.233 0.000 0.988 498 V HN 0.655 nan 8.190 nan 0.000 0.432 499 L N 4.889 126.261 121.223 0.249 0.000 2.322 499 L HA 0.940 5.281 4.340 0.001 0.000 0.279 499 L C 0.008 176.942 176.870 0.107 0.000 1.036 499 L CA 0.094 55.073 54.840 0.231 0.000 0.807 499 L CB 1.359 43.469 42.059 0.086 0.000 1.226 499 L HN 0.796 nan 8.230 nan 0.000 0.433 500 A N 4.341 127.256 122.820 0.158 0.000 2.455 500 A HA 0.787 5.108 4.320 0.001 0.000 0.300 500 A C -1.739 175.969 177.584 0.207 0.000 1.040 500 A CA -0.538 51.556 52.037 0.095 0.000 0.697 500 A CB 1.818 20.837 19.000 0.031 0.000 1.265 500 A HN 0.510 nan 8.150 nan 0.000 0.407 501 V N 1.547 121.607 119.914 0.244 0.000 2.443 501 V HA 0.675 4.796 4.120 0.001 0.000 0.293 501 V C 0.288 176.593 176.094 0.352 0.000 1.021 501 V CA -0.270 62.276 62.300 0.410 0.000 0.848 501 V CB 1.466 33.618 31.823 0.548 0.000 0.998 501 V HN 1.362 nan 8.190 nan 0.000 0.424 502 A N 3.520 126.564 122.820 0.373 0.000 2.260 502 A HA 0.580 4.901 4.320 0.001 0.000 0.314 502 A C 0.158 177.953 177.584 0.352 0.000 1.257 502 A CA -0.537 51.712 52.037 0.352 0.000 0.871 502 A CB 0.007 19.252 19.000 0.409 0.000 1.166 502 A HN 0.887 nan 8.150 nan 0.000 0.522 503 N N 2.443 121.313 118.700 0.283 0.000 3.303 503 N HA 0.237 4.978 4.740 0.001 0.000 0.304 503 N C 0.358 176.146 175.510 0.463 0.000 1.302 503 N CA -0.200 53.035 53.050 0.309 0.000 1.213 503 N CB -0.133 38.453 38.487 0.165 0.000 1.481 503 N HN 0.797 nan 8.380 nan 0.000 0.546 504 I N -2.405 118.373 120.570 0.348 0.000 3.112 504 I HA 0.112 4.282 4.170 0.001 0.000 0.284 504 I C 0.607 176.743 176.117 0.032 0.000 1.227 504 I CA -0.668 60.754 61.300 0.203 0.000 1.369 504 I CB 0.734 38.804 38.000 0.117 0.000 1.376 504 I HN 0.110 nan 8.210 nan 0.000 0.608 505 R N 2.145 122.381 120.500 -0.441 0.000 2.827 505 R HA 0.275 4.615 4.340 0.001 0.000 0.269 505 R C 1.158 177.188 176.300 -0.450 0.000 1.048 505 R CA 1.085 56.645 56.100 -0.900 0.000 1.173 505 R CB 0.131 29.840 30.300 -0.986 0.000 1.070 505 R HN 1.085 nan 8.270 nan 0.000 0.498 506 G N -0.028 108.556 108.800 -0.360 0.000 2.279 506 G HA2 -0.227 3.734 3.960 0.001 0.000 0.223 506 G HA3 -0.227 3.734 3.960 0.001 0.000 0.223 506 G C 0.503 175.444 174.900 0.070 0.000 1.015 506 G CA -0.235 44.770 45.100 -0.158 0.000 0.621 506 G HN 0.892 nan 8.290 nan 0.000 0.506 507 G N -0.423 108.471 108.800 0.156 0.000 2.553 507 G HA2 0.560 4.520 3.960 0.001 0.000 0.278 507 G HA3 0.560 4.520 3.960 0.001 0.000 0.278 507 G C 1.030 176.145 174.900 0.359 0.000 1.349 507 G CA 0.246 45.518 45.100 0.286 0.000 1.037 507 G HN 1.329 nan 8.290 nan 0.000 0.508 508 G N -1.523 107.419 108.800 0.236 0.000 3.453 508 G HA2 0.280 4.240 3.960 0.001 0.000 0.263 508 G HA3 0.280 4.240 3.960 0.001 0.000 0.263 508 G C 0.939 175.872 174.900 0.056 0.000 1.060 508 G CA 0.143 45.349 45.100 0.177 0.000 0.793 508 G HN 0.521 nan 8.290 nan 0.000 0.532 509 E N 0.155 120.321 120.200 -0.056 0.000 2.130 509 E HA -0.137 4.213 4.350 0.001 0.000 0.196 509 E C 0.239 176.316 176.600 -0.871 0.000 0.998 509 E CA 1.162 57.259 56.400 -0.504 0.000 0.806 509 E CB -0.194 29.111 29.700 -0.658 0.000 0.738 509 E HN 0.646 nan 8.360 nan 0.000 0.459 510 Y N -0.377 119.676 120.300 -0.411 0.000 2.669 510 Y HA 0.404 4.955 4.550 0.001 0.000 0.302 510 Y C 0.782 176.725 175.900 0.073 0.000 1.000 510 Y CA -0.293 57.661 58.100 -0.244 0.000 1.222 510 Y CB 0.782 38.942 38.460 -0.500 0.000 1.209 510 Y HN 0.124 nan 8.280 nan 0.000 0.571 511 G N 0.742 109.661 108.800 0.199 0.000 2.698 511 G HA2 -0.380 3.581 3.960 0.001 0.000 0.233 511 G HA3 -0.380 3.581 3.960 0.001 0.000 0.233 511 G C 0.597 175.685 174.900 0.313 0.000 1.352 511 G CA 0.263 45.531 45.100 0.281 0.000 0.879 511 G HN 0.365 nan 8.290 nan 0.000 0.567 512 E N -0.443 119.903 120.200 0.244 0.000 2.204 512 E HA -0.093 4.258 4.350 0.001 0.000 0.195 512 E C 2.766 179.475 176.600 0.182 0.000 0.990 512 E CA 2.823 59.349 56.400 0.211 0.000 0.821 512 E CB -0.493 29.253 29.700 0.076 0.000 0.750 512 E HN 0.972 nan 8.360 nan 0.000 0.477 513 T N -2.580 112.081 114.554 0.178 0.000 2.867 513 T HA -0.149 4.201 4.350 0.001 0.000 0.268 513 T C 1.822 176.647 174.700 0.209 0.000 1.057 513 T CA 0.870 63.056 62.100 0.144 0.000 1.136 513 T CB -0.782 68.168 68.868 0.137 0.000 0.874 513 T HN 0.404 nan 8.240 nan 0.000 0.466 514 W N 1.679 123.035 121.300 0.092 0.000 2.381 514 W HA -0.133 4.527 4.660 0.001 0.000 0.301 514 W C 2.327 178.891 176.519 0.075 0.000 1.205 514 W CA 1.341 58.745 57.345 0.098 0.000 1.285 514 W CB -0.428 29.136 29.460 0.174 0.000 1.133 514 W HN 0.509 nan 8.180 nan 0.000 0.521 515 H N 0.678 119.834 119.070 0.144 0.000 2.293 515 H HA -0.167 4.389 4.556 0.001 0.000 0.300 515 H C 2.146 177.390 175.328 -0.140 0.000 1.082 515 H CA 1.821 57.860 56.048 -0.015 0.000 1.308 515 H CB -0.148 29.635 29.762 0.034 0.000 1.375 515 H HN 0.023 nan 8.280 nan 0.000 0.495 516 K N -0.070 120.178 120.400 -0.253 0.000 2.280 516 K HA -0.080 4.241 4.320 0.001 0.000 0.202 516 K C 2.127 178.537 176.600 -0.317 0.000 1.047 516 K CA 0.775 56.850 56.287 -0.354 0.000 0.942 516 K CB -0.102 32.270 32.500 -0.214 0.000 0.739 516 K HN 0.393 nan 8.250 nan 0.000 0.457 517 G N 0.304 108.935 108.800 -0.282 0.000 2.776 517 G HA2 -0.074 3.886 3.960 0.001 0.000 0.209 517 G HA3 -0.074 3.886 3.960 0.001 0.000 0.209 517 G C 0.756 175.402 174.900 -0.424 0.000 1.145 517 G CA 0.549 45.443 45.100 -0.344 0.000 0.791 517 G HN 0.361 nan 8.290 nan 0.000 0.530 518 G N 0.222 108.765 108.800 -0.430 0.000 4.683 518 G HA2 0.505 4.466 3.960 0.001 0.000 0.273 518 G HA3 0.505 4.466 3.960 0.001 0.000 0.273 518 G C -0.117 174.500 174.900 -0.471 0.000 1.065 518 G CA -0.263 44.558 45.100 -0.465 0.000 0.837 518 G HN 0.510 nan 8.290 nan 0.000 0.526 519 I N -3.581 116.706 120.570 -0.471 0.000 3.191 519 I HA 0.713 4.883 4.170 0.001 0.000 0.313 519 I C 0.810 176.635 176.117 -0.486 0.000 1.193 519 I CA -1.299 59.722 61.300 -0.464 0.000 0.968 519 I CB 1.444 39.133 38.000 -0.518 0.000 1.262 519 I HN 0.086 nan 8.210 nan 0.000 0.456 520 L N 0.786 121.746 121.223 -0.439 0.000 5.891 520 L HA -0.398 3.942 4.340 0.001 0.000 0.053 520 L C 1.979 178.025 176.870 -1.372 0.000 2.528 520 L CA 1.454 55.855 54.840 -0.731 0.000 1.612 520 L CB -1.834 39.861 42.059 -0.607 0.000 2.817 520 L HN 0.973 nan 8.230 nan 0.000 0.990 521 A N -0.472 121.228 122.820 -1.866 0.000 2.070 521 A HA -0.097 4.223 4.320 0.001 0.000 0.220 521 A C 1.436 178.545 177.584 -0.791 0.000 1.159 521 A CA 2.116 53.138 52.037 -1.692 0.000 0.656 521 A CB -0.574 17.889 19.000 -0.896 0.000 0.800 521 A HN 0.673 nan 8.150 nan 0.000 0.453 522 N N -0.781 117.551 118.700 -0.613 0.000 2.268 522 N HA 0.026 4.767 4.740 0.001 0.000 0.204 522 N C 1.120 176.356 175.510 -0.455 0.000 1.124 522 N CA 0.334 53.123 53.050 -0.435 0.000 0.838 522 N CB 0.493 38.756 38.487 -0.373 0.000 0.994 522 N HN 0.401 nan 8.380 nan 0.000 0.489 523 K N 1.523 121.626 120.400 -0.495 0.000 2.152 523 K HA -0.168 4.152 4.320 0.001 0.000 0.206 523 K C 1.871 178.018 176.600 -0.754 0.000 1.048 523 K CA 1.208 57.127 56.287 -0.613 0.000 0.933 523 K CB -0.038 32.121 32.500 -0.569 0.000 0.721 523 K HN -0.030 nan 8.250 nan 0.000 0.447 524 Q N 0.644 120.190 119.800 -0.423 0.000 2.297 524 Q HA -0.111 4.230 4.340 0.001 0.000 0.208 524 Q C 1.293 177.134 176.000 -0.265 0.000 0.981 524 Q CA 1.621 57.307 55.803 -0.196 0.000 0.876 524 Q CB -0.349 28.393 28.738 0.005 0.000 0.921 524 Q HN 0.373 nan 8.270 nan 0.000 0.446 525 N N -0.776 117.723 118.700 -0.335 0.000 2.149 525 N HA -0.154 4.587 4.740 0.001 0.000 0.188 525 N C 1.552 176.862 175.510 -0.334 0.000 1.019 525 N CA 1.460 54.335 53.050 -0.292 0.000 0.857 525 N CB -0.716 37.572 38.487 -0.332 0.000 0.997 525 N HN 0.352 nan 8.380 nan 0.000 0.426 526 C N 0.193 119.163 119.300 -0.550 0.000 2.413 526 C HA -0.089 4.371 4.460 0.001 0.000 0.277 526 C C 2.493 177.272 174.990 -0.352 0.000 1.228 526 C CA 0.377 59.059 59.018 -0.560 0.000 1.731 526 C CB -1.587 25.617 27.740 -0.893 0.000 2.042 526 C HN 0.385 nan 8.230 nan 0.000 0.468 527 F N 1.333 121.198 119.950 -0.142 0.000 2.134 527 F HA -0.138 4.390 4.527 0.001 0.000 0.299 527 F C 2.298 178.128 175.800 0.050 0.000 1.097 527 F CA 1.242 59.214 58.000 -0.046 0.000 1.264 527 F CB -0.612 38.330 39.000 -0.098 0.000 1.001 527 F HN 0.207 nan 8.300 nan 0.000 0.479 528 D N 0.455 120.942 120.400 0.144 0.000 2.097 528 D HA -0.153 4.487 4.640 0.001 0.000 0.195 528 D C 1.775 178.161 176.300 0.143 0.000 0.989 528 D CA 1.366 55.437 54.000 0.118 0.000 0.827 528 D CB -0.586 40.240 40.800 0.044 0.000 0.966 528 D HN 0.186 nan 8.370 nan 0.000 0.456 529 D N -0.174 120.290 120.400 0.108 0.000 2.104 529 D HA -0.160 4.481 4.640 0.001 0.000 0.194 529 D C 1.843 178.349 176.300 0.343 0.000 0.994 529 D CA 0.544 54.663 54.000 0.198 0.000 0.830 529 D CB -0.477 40.374 40.800 0.085 0.000 0.959 529 D HN 0.145 nan 8.370 nan 0.000 0.452 530 F N 1.379 121.399 119.950 0.117 0.000 2.146 530 F HA -0.127 4.400 4.527 0.001 0.000 0.298 530 F C 2.429 178.311 175.800 0.136 0.000 1.096 530 F CA 1.300 59.368 58.000 0.112 0.000 1.275 530 F CB -0.276 38.760 39.000 0.059 0.000 1.008 530 F HN -0.066 nan 8.300 nan 0.000 0.480 531 Q N -1.233 118.701 119.800 0.224 0.000 2.124 531 Q HA -0.229 4.111 4.340 0.001 0.000 0.202 531 Q C 2.386 178.396 176.000 0.018 0.000 0.977 531 Q CA 1.869 57.759 55.803 0.145 0.000 0.850 531 Q CB -0.554 28.289 28.738 0.174 0.000 0.901 531 Q HN 0.419 nan 8.270 nan 0.000 0.429 532 C N -0.094 119.247 119.300 0.067 0.000 2.446 532 C HA 0.006 4.466 4.460 0.001 0.000 0.279 532 C C 2.730 177.570 174.990 -0.250 0.000 1.366 532 C CA 0.454 59.504 59.018 0.052 0.000 1.763 532 C CB -1.070 26.827 27.740 0.261 0.000 1.929 532 C HN 0.600 nan 8.230 nan 0.000 0.509 533 A N 0.730 123.277 122.820 -0.456 0.000 1.898 533 A HA 0.107 4.427 4.320 0.001 0.000 0.216 533 A C 2.377 179.708 177.584 -0.421 0.000 1.181 533 A CA 1.884 53.405 52.037 -0.861 0.000 0.620 533 A CB -0.844 17.816 19.000 -0.567 0.000 0.819 533 A HN 0.526 nan 8.150 nan 0.000 0.442 534 A N -0.090 122.548 122.820 -0.304 0.000 1.877 534 A HA -0.192 4.129 4.320 0.001 0.000 0.216 534 A C 1.925 179.439 177.584 -0.117 0.000 1.186 534 A CA 1.668 53.605 52.037 -0.166 0.000 0.620 534 A CB -0.594 18.359 19.000 -0.079 0.000 0.822 534 A HN 0.622 nan 8.150 nan 0.000 0.443 535 E N -1.722 118.411 120.200 -0.112 0.000 2.118 535 E HA -0.229 4.121 4.350 0.001 0.000 0.195 535 E C 1.853 178.435 176.600 -0.029 0.000 0.992 535 E CA 1.506 57.865 56.400 -0.068 0.000 0.804 535 E CB -0.312 29.366 29.700 -0.037 0.000 0.741 535 E HN 0.820 nan 8.360 nan 0.000 0.458 536 Y N 1.436 121.638 120.300 -0.164 0.000 2.145 536 Y HA -0.203 4.347 4.550 0.001 0.000 0.286 536 Y C 2.028 177.911 175.900 -0.028 0.000 1.145 536 Y CA 1.384 59.418 58.100 -0.110 0.000 1.148 536 Y CB -0.161 38.155 38.460 -0.239 0.000 0.981 536 Y HN -0.066 nan 8.280 nan 0.000 0.507 537 L N -0.325 120.957 121.223 0.098 0.000 2.079 537 L HA -0.247 4.094 4.340 0.001 0.000 0.210 537 L C 2.304 179.230 176.870 0.094 0.000 1.081 537 L CA 1.492 56.406 54.840 0.122 0.000 0.752 537 L CB -0.524 41.573 42.059 0.064 0.000 0.896 537 L HN 0.331 nan 8.230 nan 0.000 0.433 538 I N 0.059 120.632 120.570 0.005 0.000 2.277 538 I HA -0.264 3.906 4.170 0.001 0.000 0.243 538 I C 2.666 178.750 176.117 -0.056 0.000 1.094 538 I CA 1.254 62.543 61.300 -0.018 0.000 1.393 538 I CB -0.267 37.705 38.000 -0.046 0.000 1.078 538 I HN 0.267 nan 8.210 nan 0.000 0.417 539 K N 0.618 120.961 120.400 -0.094 0.000 2.147 539 K HA -0.142 4.179 4.320 0.001 0.000 0.205 539 K C 1.440 177.944 176.600 -0.160 0.000 1.049 539 K CA 1.314 57.532 56.287 -0.115 0.000 0.936 539 K CB -0.222 32.213 32.500 -0.108 0.000 0.722 539 K HN 0.172 nan 8.250 nan 0.000 0.446 540 E N 0.327 120.385 120.200 -0.236 0.000 2.502 540 E HA 0.016 4.367 4.350 0.001 0.000 0.194 540 E C 0.952 177.414 176.600 -0.230 0.000 1.062 540 E CA 0.806 57.053 56.400 -0.255 0.000 0.867 540 E CB 0.456 29.926 29.700 -0.383 0.000 0.888 540 E HN 0.678 nan 8.360 nan 0.000 0.510 541 G N 0.784 109.500 108.800 -0.140 0.000 2.143 541 G HA2 -0.342 3.618 3.960 0.001 0.000 0.249 541 G HA3 -0.342 3.618 3.960 0.001 0.000 0.249 541 G C 0.689 175.518 174.900 -0.119 0.000 0.981 541 G CA 0.444 45.460 45.100 -0.141 0.000 0.665 541 G HN 0.341 nan 8.290 nan 0.000 0.528 542 Y N -0.030 120.267 120.300 -0.005 0.000 2.337 542 Y HA 0.356 4.907 4.550 0.001 0.000 0.293 542 Y C 2.064 178.045 175.900 0.134 0.000 1.123 542 Y CA 1.949 60.087 58.100 0.063 0.000 1.201 542 Y CB 0.369 38.851 38.460 0.037 0.000 1.011 542 Y HN 0.414 nan 8.280 nan 0.000 0.545 543 T N -2.344 112.339 114.554 0.216 0.000 2.648 543 T HA 0.585 4.936 4.350 0.001 0.000 0.304 543 T C -1.317 173.423 174.700 0.066 0.000 1.312 543 T CA -0.667 61.523 62.100 0.151 0.000 1.023 543 T CB 1.096 70.077 68.868 0.188 0.000 1.612 543 T HN -0.136 nan 8.240 nan 0.000 0.487 544 S N 0.776 116.507 115.700 0.051 0.000 2.588 544 S HA 0.513 4.984 4.470 0.001 0.000 0.275 544 S C -2.184 172.425 174.600 0.016 0.000 1.130 544 S CA -0.951 57.256 58.200 0.012 0.000 0.855 544 S CB 1.969 65.167 63.200 -0.003 0.000 1.116 544 S HN 0.525 nan 8.310 nan 0.000 0.472 545 P HA -0.222 nan 4.420 nan 0.000 0.216 545 P C 1.280 178.587 177.300 0.013 0.000 1.157 545 P CA 1.544 64.619 63.100 -0.042 0.000 0.880 545 P CB 0.014 31.663 31.700 -0.085 0.000 0.791 546 K N -0.187 120.225 120.400 0.019 0.000 2.280 546 K HA -0.082 4.239 4.320 0.001 0.000 0.202 546 K C 1.608 178.253 176.600 0.075 0.000 1.047 546 K CA 1.248 57.560 56.287 0.042 0.000 0.942 546 K CB -0.279 32.238 32.500 0.029 0.000 0.739 546 K HN 0.093 nan 8.250 nan 0.000 0.457 547 R N 0.383 120.936 120.500 0.088 0.000 2.362 547 R HA 0.207 4.547 4.340 0.001 0.000 0.227 547 R C -0.332 176.080 176.300 0.187 0.000 0.905 547 R CA -0.417 55.764 56.100 0.135 0.000 1.067 547 R CB 0.246 30.619 30.300 0.121 0.000 1.078 547 R HN 0.084 nan 8.270 nan 0.000 0.516 548 L N 1.197 122.518 121.223 0.164 0.000 2.276 548 L HA 0.304 4.645 4.340 0.001 0.000 0.286 548 L C -0.667 176.322 176.870 0.199 0.000 1.061 548 L CA 0.390 55.344 54.840 0.191 0.000 0.807 548 L CB 1.710 43.868 42.059 0.165 0.000 1.177 548 L HN -0.137 nan 8.230 nan 0.000 0.429 549 T N 6.708 121.358 114.554 0.160 0.000 2.823 549 T HA 0.624 4.975 4.350 0.001 0.000 0.279 549 T C -0.248 174.377 174.700 -0.126 0.000 0.998 549 T CA -0.266 61.865 62.100 0.052 0.000 0.994 549 T CB 0.911 69.813 68.868 0.057 0.000 0.960 549 T HN 0.582 nan 8.240 nan 0.000 0.448 550 I N 1.223 121.680 120.570 -0.188 0.000 2.530 550 I HA 0.701 4.872 4.170 0.001 0.000 0.297 550 I C -0.445 175.483 176.117 -0.315 0.000 1.011 550 I CA -0.783 60.367 61.300 -0.250 0.000 1.107 550 I CB 1.924 39.774 38.000 -0.250 0.000 1.285 550 I HN 0.487 nan 8.210 nan 0.000 0.436 551 N N 3.142 121.638 118.700 -0.339 0.000 2.277 551 N HA 0.757 5.498 4.740 0.001 0.000 0.286 551 N C -1.269 174.109 175.510 -0.219 0.000 1.140 551 N CA -0.406 52.485 53.050 -0.266 0.000 0.799 551 N CB 2.812 41.073 38.487 -0.377 0.000 1.596 551 N HN 1.092 nan 8.380 nan 0.000 0.473 552 G N -0.059 108.633 108.800 -0.180 0.000 2.632 552 G HA2 0.597 4.557 3.960 0.001 0.000 0.292 552 G HA3 0.597 4.557 3.960 0.001 0.000 0.292 552 G C -1.536 173.314 174.900 -0.082 0.000 1.465 552 G CA -0.589 44.340 45.100 -0.286 0.000 0.824 552 G HN 0.597 nan 8.290 nan 0.000 0.509 553 G N -0.849 107.951 108.800 -0.001 0.000 2.591 553 G HA2 0.692 4.652 3.960 0.001 0.000 0.306 553 G HA3 0.692 4.652 3.960 0.001 0.000 0.306 553 G C 0.269 175.191 174.900 0.037 0.000 1.334 553 G CA 0.961 46.069 45.100 0.015 0.000 0.981 553 G HN 1.949 nan 8.290 nan 0.000 0.491 554 S N 0.483 116.171 115.700 -0.020 0.000 4.141 554 S HA -0.351 4.119 4.470 0.001 0.000 0.622 554 S C 2.009 176.531 174.600 -0.130 0.000 1.894 554 S CA 1.507 59.711 58.200 0.006 0.000 4.238 554 S CB -1.558 61.745 63.200 0.173 0.000 0.205 554 S HN 1.102 nan 8.310 nan 0.000 0.486 555 N N 1.757 120.346 118.700 -0.185 0.000 2.289 555 N HA -0.084 4.657 4.740 0.001 0.000 0.184 555 N C 1.673 176.917 175.510 -0.444 0.000 1.016 555 N CA 1.721 54.557 53.050 -0.357 0.000 0.872 555 N CB -0.880 37.278 38.487 -0.549 0.000 0.973 555 N HN 0.638 nan 8.380 nan 0.000 0.433 556 G N -0.304 108.272 108.800 -0.373 0.000 2.511 556 G HA2 -0.040 3.920 3.960 0.001 0.000 0.217 556 G HA3 -0.040 3.920 3.960 0.001 0.000 0.217 556 G C 1.440 176.174 174.900 -0.277 0.000 1.133 556 G CA 0.662 45.561 45.100 -0.335 0.000 0.792 556 G HN 0.416 nan 8.290 nan 0.000 0.539 557 G N 1.048 109.735 108.800 -0.190 0.000 2.394 557 G HA2 -0.076 3.885 3.960 0.001 0.000 0.215 557 G HA3 -0.076 3.885 3.960 0.001 0.000 0.215 557 G C 1.704 176.489 174.900 -0.192 0.000 1.165 557 G CA 0.968 45.973 45.100 -0.159 0.000 0.784 557 G HN 0.416 nan 8.290 nan 0.000 0.535 558 L N 0.445 121.539 121.223 -0.215 0.000 2.017 558 L HA 0.036 4.376 4.340 0.001 0.000 0.208 558 L C 2.506 179.283 176.870 -0.155 0.000 1.073 558 L CA 1.823 56.537 54.840 -0.210 0.000 0.745 558 L CB -0.714 41.225 42.059 -0.201 0.000 0.894 558 L HN 0.180 nan 8.230 nan 0.000 0.432 559 L N -0.266 120.867 121.223 -0.150 0.000 1.971 559 L HA -0.183 4.157 4.340 0.001 0.000 0.215 559 L C 2.572 179.329 176.870 -0.188 0.000 1.072 559 L CA 2.560 57.336 54.840 -0.107 0.000 0.758 559 L CB -0.914 40.900 42.059 -0.408 0.000 0.889 559 L HN 0.360 nan 8.230 nan 0.000 0.433 560 V N -2.498 117.256 119.914 -0.267 0.000 2.548 560 V HA -0.026 4.095 4.120 0.001 0.000 0.249 560 V C 2.451 178.446 176.094 -0.165 0.000 1.055 560 V CA 1.316 63.478 62.300 -0.229 0.000 1.065 560 V CB -1.688 29.994 31.823 -0.235 0.000 0.681 560 V HN 0.482 nan 8.190 nan 0.000 0.462 561 A N 0.861 123.602 122.820 -0.133 0.000 1.898 561 A HA -0.120 4.201 4.320 0.001 0.000 0.216 561 A C 2.349 179.883 177.584 -0.084 0.000 1.181 561 A CA 2.473 54.487 52.037 -0.039 0.000 0.620 561 A CB -1.289 17.591 19.000 -0.201 0.000 0.819 561 A HN 0.539 nan 8.150 nan 0.000 0.442 562 T N -0.778 113.624 114.554 -0.252 0.000 2.746 562 T HA -0.176 4.174 4.350 0.001 0.000 0.267 562 T C 1.877 176.422 174.700 -0.259 0.000 1.039 562 T CA 1.590 63.457 62.100 -0.389 0.000 1.142 562 T CB -0.630 67.630 68.868 -1.014 0.000 0.866 562 T HN 0.564 nan 8.240 nan 0.000 0.444 563 C N 1.568 120.767 119.300 -0.168 0.000 2.422 563 C HA 0.125 4.585 4.460 0.001 0.000 0.279 563 C C 3.176 178.231 174.990 0.108 0.000 1.305 563 C CA 0.221 59.254 59.018 0.024 0.000 1.757 563 C CB -1.417 26.358 27.740 0.059 0.000 1.962 563 C HN 0.652 nan 8.230 nan 0.000 0.499 564 A N 1.291 124.101 122.820 -0.016 0.000 1.902 564 A HA -0.169 4.152 4.320 0.001 0.000 0.217 564 A C 1.949 179.429 177.584 -0.173 0.000 1.181 564 A CA 1.856 53.885 52.037 -0.013 0.000 0.623 564 A CB -0.527 18.487 19.000 0.023 0.000 0.818 564 A HN 0.628 nan 8.150 nan 0.000 0.443 565 N N -0.179 118.492 118.700 -0.048 0.000 2.142 565 N HA -0.127 4.614 4.740 0.001 0.000 0.186 565 N C 1.947 177.432 175.510 -0.042 0.000 1.023 565 N CA 1.567 54.611 53.050 -0.009 0.000 0.852 565 N CB -0.427 38.130 38.487 0.117 0.000 0.998 565 N HN 0.663 nan 8.380 nan 0.000 0.424 566 Q N -0.290 119.495 119.800 -0.025 0.000 2.123 566 Q HA 0.089 4.429 4.340 0.001 0.000 0.199 566 Q C 0.129 176.131 176.000 0.004 0.000 0.966 566 Q CA 0.875 56.677 55.803 -0.002 0.000 0.845 566 Q CB 0.376 29.113 28.738 -0.003 0.000 0.907 566 Q HN 0.063 nan 8.270 nan 0.000 0.439 567 R N 0.303 120.823 120.500 0.034 0.000 2.674 567 R HA 0.180 4.521 4.340 0.001 0.000 0.270 567 R C -2.189 174.072 176.300 -0.065 0.000 1.492 567 R CA -1.499 54.585 56.100 -0.028 0.000 1.624 567 R CB 0.722 30.991 30.300 -0.051 0.000 1.307 567 R HN 0.143 nan 8.270 nan 0.000 0.683 568 P HA -0.166 nan 4.420 nan 0.000 0.222 568 P C 0.596 177.826 177.300 -0.118 0.000 1.147 568 P CA 1.161 64.159 63.100 -0.170 0.000 0.790 568 P CB 0.294 31.748 31.700 -0.410 0.000 0.780 569 D N -0.593 119.718 120.400 -0.148 0.000 2.348 569 D HA -0.101 4.539 4.640 0.001 0.000 0.216 569 D C 1.728 177.882 176.300 -0.243 0.000 0.970 569 D CA 0.341 54.254 54.000 -0.145 0.000 0.889 569 D CB -0.587 40.145 40.800 -0.114 0.000 0.912 569 D HN 0.134 nan 8.370 nan 0.000 0.524 570 L N -0.722 120.214 121.223 -0.477 0.000 2.477 570 L HA 0.288 4.628 4.340 0.001 0.000 0.220 570 L C -0.260 176.072 176.870 -0.897 0.000 1.106 570 L CA 0.437 54.797 54.840 -0.799 0.000 0.851 570 L CB -0.073 41.265 42.059 -1.201 0.000 0.994 570 L HN -0.153 nan 8.230 nan 0.000 0.462 571 F N -2.465 117.465 119.950 -0.033 0.000 2.563 571 F HA 0.551 5.078 4.527 0.001 0.000 0.316 571 F C 1.280 177.084 175.800 0.007 0.000 1.076 571 F CA -0.488 57.504 58.000 -0.014 0.000 0.921 571 F CB 1.416 40.408 39.000 -0.014 0.000 1.209 571 F HN -0.275 nan 8.300 nan 0.000 0.462 572 G N -0.380 108.545 108.800 0.208 0.000 2.608 572 G HA2 0.133 4.093 3.960 0.001 0.000 0.210 572 G HA3 0.133 4.093 3.960 0.001 0.000 0.210 572 G C -0.491 174.498 174.900 0.149 0.000 1.139 572 G CA 0.322 45.506 45.100 0.141 0.000 0.812 572 G HN 0.640 nan 8.290 nan 0.000 0.529 573 C N -0.079 119.326 119.300 0.174 0.000 2.880 573 C HA 0.724 5.185 4.460 0.001 0.000 0.320 573 C C -1.387 173.683 174.990 0.133 0.000 1.176 573 C CA -0.617 58.504 59.018 0.172 0.000 1.390 573 C CB 1.198 29.029 27.740 0.153 0.000 1.846 573 C HN 0.098 nan 8.230 nan 0.000 0.478 574 V N 6.172 126.177 119.914 0.150 0.000 2.623 574 V HA 0.529 4.649 4.120 0.001 0.000 0.304 574 V C -0.568 175.550 176.094 0.039 0.000 1.054 574 V CA -0.251 62.065 62.300 0.026 0.000 0.882 574 V CB 1.711 33.532 31.823 -0.003 0.000 1.002 574 V HN 0.742 nan 8.190 nan 0.000 0.424 575 I N 4.163 124.708 120.570 -0.041 0.000 2.411 575 I HA 0.684 4.854 4.170 0.001 0.000 0.284 575 I C 0.235 176.307 176.117 -0.074 0.000 1.012 575 I CA -0.518 60.742 61.300 -0.067 0.000 1.119 575 I CB 1.758 39.719 38.000 -0.065 0.000 1.261 575 I HN 0.683 nan 8.210 nan 0.000 0.448 576 A N 6.694 129.480 122.820 -0.057 0.000 2.258 576 A HA 0.591 4.911 4.320 0.001 0.000 0.316 576 A C -0.439 177.124 177.584 -0.035 0.000 1.279 576 A CA -0.475 51.534 52.037 -0.047 0.000 0.876 576 A CB 0.561 19.556 19.000 -0.009 0.000 1.170 576 A HN 0.714 nan 8.150 nan 0.000 0.520 577 Q N 1.370 121.148 119.800 -0.036 0.000 2.257 577 Q HA 0.434 4.775 4.340 0.001 0.000 0.255 577 Q C 0.526 176.503 176.000 -0.039 0.000 0.920 577 Q CA -0.414 55.371 55.803 -0.030 0.000 0.927 577 Q CB 2.092 30.818 28.738 -0.020 0.000 1.229 577 Q HN 1.472 nan 8.270 nan 0.000 0.433 578 V N -0.113 119.791 119.914 -0.017 0.000 5.404 578 V HA -0.244 3.876 4.120 0.001 0.000 0.249 578 V C 0.267 176.380 176.094 0.032 0.000 0.682 578 V CA 0.905 63.222 62.300 0.028 0.000 0.608 578 V CB -2.308 29.505 31.823 -0.017 0.000 0.311 578 V HN 0.826 nan 8.190 nan 0.000 0.680 579 G N -0.028 108.761 108.800 -0.017 0.000 2.448 579 G HA2 0.563 4.523 3.960 0.001 0.000 0.285 579 G HA3 0.563 4.523 3.960 0.001 0.000 0.285 579 G C -0.314 174.480 174.900 -0.177 0.000 1.176 579 G CA -0.310 44.731 45.100 -0.098 0.000 0.852 579 G HN 1.122 nan 8.290 nan 0.000 0.530 580 V N 3.523 123.254 119.914 -0.305 0.000 2.389 580 V HA 0.109 4.229 4.120 0.001 0.000 0.264 580 V C 0.606 176.502 176.094 -0.330 0.000 1.049 580 V CA -0.253 61.744 62.300 -0.506 0.000 0.932 580 V CB 1.146 32.681 31.823 -0.479 0.000 1.011 580 V HN 0.708 nan 8.190 nan 0.000 0.475 581 M N 1.297 120.806 119.600 -0.152 0.000 2.653 581 M HA 0.263 4.744 4.480 0.001 0.000 0.259 581 M C 0.650 176.956 176.300 0.009 0.000 1.244 581 M CA 0.409 55.602 55.300 -0.179 0.000 1.163 581 M CB -0.211 32.205 32.600 -0.306 0.000 1.309 581 M HN 0.545 nan 8.290 nan 0.000 0.509 582 D N 1.789 122.424 120.400 0.390 0.000 2.456 582 D HA 0.202 4.842 4.640 0.001 0.000 0.219 582 D C 0.730 177.296 176.300 0.444 0.000 1.126 582 D CA -0.004 54.202 54.000 0.342 0.000 0.890 582 D CB 0.824 41.783 40.800 0.266 0.000 1.025 582 D HN -0.031 nan 8.370 nan 0.000 0.511 583 M N 3.061 122.832 119.600 0.285 0.000 2.619 583 M HA 0.021 4.501 4.480 0.001 0.000 0.251 583 M C 1.505 178.043 176.300 0.397 0.000 1.106 583 M CA 0.443 55.932 55.300 0.316 0.000 1.086 583 M CB -0.182 32.380 32.600 -0.064 0.000 1.465 583 M HN 0.451 nan 8.290 nan 0.000 0.506 584 L N -0.784 120.586 121.223 0.245 0.000 2.416 584 L HA -0.037 4.303 4.340 0.001 0.000 0.216 584 L C 1.653 178.678 176.870 0.259 0.000 1.098 584 L CA 0.676 55.602 54.840 0.143 0.000 0.840 584 L CB -0.119 41.834 42.059 -0.177 0.000 0.981 584 L HN 0.247 nan 8.230 nan 0.000 0.462 585 K N -0.439 120.099 120.400 0.230 0.000 2.438 585 K HA 0.109 4.430 4.320 0.001 0.000 0.206 585 K C 1.575 178.101 176.600 -0.124 0.000 1.081 585 K CA -0.058 56.216 56.287 -0.022 0.000 1.053 585 K CB 0.428 32.986 32.500 0.098 0.000 0.908 585 K HN 0.102 nan 8.250 nan 0.000 0.556 586 F N 2.021 122.152 119.950 0.302 0.000 2.192 586 F HA -0.258 4.270 4.527 0.001 0.000 0.301 586 F C 2.129 177.998 175.800 0.115 0.000 1.079 586 F CA 1.432 59.699 58.000 0.445 0.000 1.303 586 F CB -0.948 38.413 39.000 0.602 0.000 1.024 586 F HN 0.137 nan 8.300 nan 0.000 0.494 587 H N 0.555 119.145 119.070 -0.800 0.000 2.546 587 H HA 0.077 4.633 4.556 0.001 0.000 0.277 587 H C 1.202 176.311 175.328 -0.365 0.000 1.004 587 H CA 1.140 56.854 56.048 -0.555 0.000 1.231 587 H CB -0.655 28.726 29.762 -0.635 0.000 1.382 587 H HN 0.427 nan 8.280 nan 0.000 0.580 588 K N 0.296 120.100 120.400 -0.993 0.000 2.296 588 K HA 0.048 4.368 4.320 0.001 0.000 0.200 588 K C -0.257 175.887 176.600 -0.761 0.000 1.048 588 K CA 0.399 56.121 56.287 -0.941 0.000 0.966 588 K CB 0.218 31.948 32.500 -1.284 0.000 0.754 588 K HN 0.294 nan 8.250 nan 0.000 0.466 589 Y N 0.762 120.995 120.300 -0.112 0.000 2.420 589 Y HA 0.033 4.584 4.550 0.001 0.000 0.334 589 Y C 1.635 177.490 175.900 -0.076 0.000 1.094 589 Y CA -0.719 57.349 58.100 -0.054 0.000 1.126 589 Y CB 1.243 39.700 38.460 -0.005 0.000 1.217 589 Y HN 0.150 nan 8.280 nan 0.000 0.462 590 T N -0.311 114.311 114.554 0.114 0.000 8.188 590 T HA -0.412 3.939 4.350 0.001 0.000 0.253 590 T C 0.806 175.450 174.700 -0.093 0.000 1.618 590 T CA 1.994 64.104 62.100 0.016 0.000 1.500 590 T CB -1.036 67.849 68.868 0.029 0.000 1.763 590 T HN 0.611 nan 8.240 nan 0.000 0.450 591 I N 2.507 122.952 120.570 -0.209 0.000 3.928 591 I HA 0.488 4.658 4.170 0.001 0.000 0.335 591 I C 2.217 177.733 176.117 -1.000 0.000 1.325 591 I CA 0.539 61.524 61.300 -0.524 0.000 1.107 591 I CB -0.567 37.211 38.000 -0.369 0.000 1.014 591 I HN 0.743 nan 8.210 nan 0.000 0.400 592 G N 0.762 108.977 108.800 -0.975 0.000 2.479 592 G HA2 -0.293 3.668 3.960 0.001 0.000 0.220 592 G HA3 -0.293 3.668 3.960 0.001 0.000 0.220 592 G C 1.576 176.032 174.900 -0.740 0.000 1.115 592 G CA 1.158 45.360 45.100 -1.497 0.000 0.757 592 G HN 0.690 nan 8.290 nan 0.000 0.560 593 H N -0.274 118.583 119.070 -0.354 0.000 2.489 593 H HA 0.144 4.700 4.556 0.001 0.000 0.293 593 H C 2.406 177.682 175.328 -0.087 0.000 1.066 593 H CA 0.953 56.923 56.048 -0.130 0.000 1.305 593 H CB -0.351 29.353 29.762 -0.098 0.000 1.386 593 H HN 0.317 nan 8.280 nan 0.000 0.551 594 A N 1.348 123.880 122.820 -0.480 0.000 2.066 594 A HA -0.087 4.233 4.320 0.001 0.000 0.218 594 A C 1.530 179.175 177.584 0.101 0.000 1.157 594 A CA 0.542 52.463 52.037 -0.193 0.000 0.670 594 A CB -0.778 18.007 19.000 -0.358 0.000 0.804 594 A HN 0.514 nan 8.150 nan 0.000 0.453 595 W N 0.828 122.247 121.300 0.197 0.000 3.047 595 W HA 0.038 4.698 4.660 0.001 0.000 0.250 595 W C 2.061 178.709 176.519 0.215 0.000 1.314 595 W CA 0.947 58.419 57.345 0.212 0.000 1.540 595 W CB -1.761 27.790 29.460 0.151 0.000 1.127 595 W HN 0.537 nan 8.180 nan 0.000 0.679 596 T N -2.133 112.745 114.554 0.541 0.000 2.977 596 T HA -0.203 4.147 4.350 0.001 0.000 0.271 596 T C 1.720 176.574 174.700 0.258 0.000 1.105 596 T CA 1.965 64.358 62.100 0.489 0.000 1.116 596 T CB -0.747 68.343 68.868 0.370 0.000 0.878 596 T HN 0.167 nan 8.240 nan 0.000 0.509 597 T N -1.058 113.595 114.554 0.164 0.000 2.951 597 T HA -0.023 4.327 4.350 0.001 0.000 0.268 597 T C 1.428 176.087 174.700 -0.067 0.000 1.073 597 T CA 1.237 63.374 62.100 0.062 0.000 1.134 597 T CB -0.332 68.573 68.868 0.061 0.000 0.884 597 T HN 0.317 nan 8.240 nan 0.000 0.479 598 D N -0.174 120.098 120.400 -0.214 0.000 2.323 598 D HA 0.195 4.835 4.640 0.001 0.000 0.218 598 D C 1.418 177.526 176.300 -0.321 0.000 0.973 598 D CA 0.539 54.222 54.000 -0.529 0.000 0.890 598 D CB 0.072 40.074 40.800 -1.330 0.000 1.011 598 D HN 0.589 nan 8.370 nan 0.000 0.499 599 Y N -0.351 119.948 120.300 -0.002 0.000 2.522 599 Y HA 0.370 4.921 4.550 0.001 0.000 0.277 599 Y C 1.446 177.510 175.900 0.273 0.000 1.104 599 Y CA -0.077 58.086 58.100 0.106 0.000 1.260 599 Y CB 0.773 39.265 38.460 0.054 0.000 1.151 599 Y HN -0.031 nan 8.280 nan 0.000 0.539 603 D N 2.907 123.346 120.400 0.065 0.000 2.264 603 D HA 0.115 4.755 4.640 0.001 0.000 0.208 603 D C 0.866 177.241 176.300 0.126 0.000 0.966 603 D CA 1.209 55.247 54.000 0.063 0.000 0.864 603 D CB 0.137 40.895 40.800 -0.070 0.000 0.933 603 D HN 0.542 nan 8.370 nan 0.000 0.499 604 S N 0.027 115.681 115.700 -0.076 0.000 2.525 604 S HA 0.147 4.617 4.470 0.001 0.000 0.278 604 S C 1.030 175.328 174.600 -0.504 0.000 1.234 604 S CA -0.698 57.301 58.200 -0.335 0.000 1.058 604 S CB 1.878 64.634 63.200 -0.741 0.000 0.983 604 S HN -0.053 nan 8.310 nan 0.000 0.495 605 K N 3.032 122.935 120.400 -0.828 0.000 2.057 605 K HA -0.146 4.174 4.320 0.001 0.000 0.207 605 K C 2.124 178.478 176.600 -0.410 0.000 1.049 605 K CA 1.494 57.218 56.287 -0.939 0.000 0.931 605 K CB -0.234 31.873 32.500 -0.655 0.000 0.714 605 K HN 0.834 nan 8.250 nan 0.000 0.440 606 Q N -0.113 119.443 119.800 -0.406 0.000 2.050 606 Q HA -0.214 4.126 4.340 0.001 0.000 0.202 606 Q C 1.784 177.278 176.000 -0.844 0.000 0.980 606 Q CA 1.765 57.301 55.803 -0.445 0.000 0.840 606 Q CB -0.106 28.435 28.738 -0.329 0.000 0.898 606 Q HN 0.628 nan 8.270 nan 0.000 0.424 607 H N -1.195 117.290 119.070 -0.975 0.000 2.357 607 H HA -0.135 4.421 4.556 0.001 0.000 0.301 607 H C 1.970 177.034 175.328 -0.439 0.000 1.082 607 H CA 0.893 56.327 56.048 -1.024 0.000 1.342 607 H CB -0.142 29.346 29.762 -0.455 0.000 1.389 607 H HN 0.311 nan 8.280 nan 0.000 0.511 608 F N 2.593 122.402 119.950 -0.235 0.000 2.126 608 F HA -0.209 4.318 4.527 0.001 0.000 0.299 608 F C 2.173 177.872 175.800 -0.168 0.000 1.096 608 F CA 1.243 59.153 58.000 -0.150 0.000 1.255 608 F CB -0.014 38.959 39.000 -0.045 0.000 0.997 608 F HN 0.004 nan 8.300 nan 0.000 0.479 609 E N -0.135 119.943 120.200 -0.204 0.000 2.153 609 E HA -0.211 4.139 4.350 0.001 0.000 0.194 609 E C 2.125 178.681 176.600 -0.074 0.000 0.988 609 E CA 1.229 57.528 56.400 -0.169 0.000 0.811 609 E CB -0.692 28.992 29.700 -0.027 0.000 0.746 609 E HN 0.563 nan 8.360 nan 0.000 0.466 610 W N 0.840 122.086 121.300 -0.090 0.000 2.408 610 W HA 0.052 4.713 4.660 0.001 0.000 0.311 610 W C 2.325 178.741 176.519 -0.173 0.000 1.190 610 W CA 0.120 57.447 57.345 -0.029 0.000 1.321 610 W CB -1.357 28.135 29.460 0.054 0.000 1.143 610 W HN 0.038 nan 8.180 nan 0.000 0.501 611 L N -0.023 121.155 121.223 -0.076 0.000 2.012 611 L HA -0.245 4.096 4.340 0.001 0.000 0.210 611 L C 2.410 178.863 176.870 -0.694 0.000 1.073 611 L CA 1.209 55.733 54.840 -0.528 0.000 0.748 611 L CB -1.120 40.761 42.059 -0.297 0.000 0.891 611 L HN -0.137 nan 8.230 nan 0.000 0.431 612 I N -0.095 120.032 120.570 -0.739 0.000 2.454 612 I HA -0.258 3.912 4.170 0.001 0.000 0.254 612 I C 2.314 178.218 176.117 -0.355 0.000 1.156 612 I CA 1.564 62.434 61.300 -0.717 0.000 1.433 612 I CB -0.292 37.023 38.000 -1.141 0.000 1.082 612 I HN 0.120 nan 8.210 nan 0.000 0.432 613 K N -0.739 119.523 120.400 -0.230 0.000 2.217 613 K HA -0.135 4.185 4.320 0.001 0.000 0.202 613 K C 1.316 177.938 176.600 0.037 0.000 1.051 613 K CA 1.668 57.935 56.287 -0.034 0.000 0.952 613 K CB -0.096 32.452 32.500 0.079 0.000 0.736 613 K HN 0.631 nan 8.250 nan 0.000 0.453 614 Y N -2.541 117.720 120.300 -0.065 0.000 2.448 614 Y HA 0.322 4.873 4.550 0.001 0.000 0.257 614 Y C 0.441 176.234 175.900 -0.178 0.000 1.089 614 Y CA -0.827 57.184 58.100 -0.148 0.000 1.245 614 Y CB -0.065 38.319 38.460 -0.128 0.000 1.282 614 Y HN -0.257 nan 8.280 nan 0.000 0.529 615 S N 3.922 119.417 115.700 -0.341 0.000 2.737 615 S HA 0.037 4.507 4.470 0.001 0.000 0.315 615 S C -1.432 173.112 174.600 -0.095 0.000 1.236 615 S CA -0.685 57.402 58.200 -0.187 0.000 1.093 615 S CB 0.550 63.729 63.200 -0.036 0.000 0.832 615 S HN 0.233 nan 8.310 nan 0.000 0.507 616 P HA -0.136 nan 4.420 nan 0.000 0.215 616 P C 1.545 178.736 177.300 -0.181 0.000 1.157 616 P CA 0.572 63.474 63.100 -0.330 0.000 0.874 616 P CB 0.056 31.253 31.700 -0.840 0.000 0.790 617 L N -1.286 119.777 121.223 -0.266 0.000 2.191 617 L HA -0.157 4.183 4.340 0.001 0.000 0.212 617 L C 1.345 177.993 176.870 -0.369 0.000 1.103 617 L CA 2.059 56.770 54.840 -0.216 0.000 0.769 617 L CB -1.162 40.660 42.059 -0.396 0.000 0.908 617 L HN 0.107 nan 8.230 nan 0.000 0.438 618 H N -1.941 117.148 119.070 0.031 0.000 2.549 618 H HA 0.319 4.875 4.556 0.001 0.000 0.279 618 H C 0.555 175.906 175.328 0.039 0.000 1.018 618 H CA 0.132 56.192 56.048 0.020 0.000 1.175 618 H CB 0.074 29.796 29.762 -0.066 0.000 1.485 618 H HN 0.280 nan 8.280 nan 0.000 0.543 619 N N 0.598 119.369 118.700 0.118 0.000 2.299 619 N HA 0.086 4.827 4.740 0.001 0.000 0.246 619 N C -0.774 174.842 175.510 0.176 0.000 1.254 619 N CA 0.116 53.241 53.050 0.125 0.000 0.879 619 N CB 1.898 40.433 38.487 0.081 0.000 1.214 619 N HN -0.010 nan 8.380 nan 0.000 0.510 620 V N 1.714 121.736 119.914 0.181 0.000 2.439 620 V HA 0.169 4.290 4.120 0.001 0.000 0.271 620 V C 0.383 176.545 176.094 0.114 0.000 1.040 620 V CA 0.275 62.676 62.300 0.169 0.000 1.002 620 V CB 0.625 32.490 31.823 0.070 0.000 1.000 620 V HN 0.110 nan 8.190 nan 0.000 0.477 621 K N 5.009 125.507 120.400 0.163 0.000 2.535 621 K HA 0.475 4.795 4.320 0.001 0.000 0.251 621 K C -1.019 175.677 176.600 0.160 0.000 0.942 621 K CA -0.864 55.497 56.287 0.123 0.000 0.798 621 K CB 1.702 34.282 32.500 0.134 0.000 1.267 621 K HN 0.529 nan 8.250 nan 0.000 0.434 622 L N 5.012 126.275 121.223 0.066 0.000 2.540 622 L HA 0.112 4.453 4.340 0.001 0.000 0.276 622 L C -1.992 174.960 176.870 0.136 0.000 1.212 622 L CA -1.459 53.428 54.840 0.079 0.000 0.893 622 L CB 0.166 42.236 42.059 0.019 0.000 1.138 622 L HN 0.490 nan 8.230 nan 0.000 0.491 623 P HA 0.026 nan 4.420 nan 0.000 0.268 623 P C -0.037 177.307 177.300 0.074 0.000 1.205 623 P CA -0.164 63.010 63.100 0.123 0.000 0.771 623 P CB 0.745 32.515 31.700 0.117 0.000 0.858 624 E N 2.200 122.433 120.200 0.055 0.000 2.031 624 E HA -0.085 4.265 4.350 0.001 0.000 0.193 624 E C 0.828 177.446 176.600 0.030 0.000 0.994 624 E CA 1.202 57.625 56.400 0.038 0.000 0.800 624 E CB -0.867 28.852 29.700 0.032 0.000 0.752 624 E HN 0.548 nan 8.360 nan 0.000 0.447 625 A N 1.665 124.501 122.820 0.026 0.000 2.511 625 A HA -0.021 4.299 4.320 0.001 0.000 0.242 625 A C 0.547 178.145 177.584 0.022 0.000 1.069 625 A CA -0.026 52.022 52.037 0.019 0.000 0.763 625 A CB 0.167 19.174 19.000 0.012 0.000 1.001 625 A HN 0.083 nan 8.150 nan 0.000 0.498 626 D N 1.180 121.590 120.400 0.017 0.000 2.219 626 D HA -0.141 4.500 4.640 0.001 0.000 0.205 626 D C 0.813 177.124 176.300 0.017 0.000 0.970 626 D CA 1.599 55.608 54.000 0.016 0.000 0.851 626 D CB 0.031 40.838 40.800 0.011 0.000 0.943 626 D HN 0.813 nan 8.370 nan 0.000 0.488 627 D N 0.202 120.610 120.400 0.014 0.000 2.328 627 D HA -0.020 4.620 4.640 0.001 0.000 0.221 627 D C 0.607 176.917 176.300 0.016 0.000 1.072 627 D CA -0.071 53.937 54.000 0.012 0.000 0.850 627 D CB 0.213 41.017 40.800 0.006 0.000 0.922 627 D HN 0.203 nan 8.370 nan 0.000 0.516 628 I N 1.381 121.965 120.570 0.024 0.000 2.406 628 I HA 0.237 4.408 4.170 0.001 0.000 0.290 628 I C 0.007 176.162 176.117 0.063 0.000 0.999 628 I CA -0.807 60.511 61.300 0.030 0.000 1.124 628 I CB 1.782 39.793 38.000 0.018 0.000 1.289 628 I HN -0.031 nan 8.210 nan 0.000 0.441 629 Q N 4.533 124.381 119.800 0.081 0.000 2.633 629 Q HA 0.504 4.844 4.340 0.001 0.000 0.292 629 Q C -1.516 174.606 176.000 0.203 0.000 1.089 629 Q CA -0.940 54.950 55.803 0.144 0.000 0.811 629 Q CB 1.638 30.441 28.738 0.108 0.000 1.472 629 Q HN 0.362 nan 8.270 nan 0.000 0.464 630 Y N 1.405 121.727 120.300 0.036 0.000 2.326 630 Y HA 0.284 4.834 4.550 0.001 0.000 0.333 630 Y C -1.927 174.016 175.900 0.072 0.000 1.240 630 Y CA -1.772 56.360 58.100 0.053 0.000 1.365 630 Y CB 0.494 38.973 38.460 0.032 0.000 1.289 630 Y HN 0.523 nan 8.280 nan 0.000 0.548 631 P HA 0.049 nan 4.420 nan 0.000 0.274 631 P C -0.758 176.663 177.300 0.200 0.000 1.256 631 P CA -0.352 62.849 63.100 0.168 0.000 0.795 631 P CB 0.655 32.464 31.700 0.181 0.000 1.038 632 S N 0.687 116.492 115.700 0.176 0.000 2.533 632 S HA 0.241 4.711 4.470 0.001 0.000 0.282 632 S C 0.416 175.238 174.600 0.370 0.000 1.304 632 S CA 0.142 58.473 58.200 0.220 0.000 1.063 632 S CB -0.561 62.654 63.200 0.026 0.000 0.881 632 S HN 0.313 nan 8.310 nan 0.000 0.493 633 M N 3.413 123.253 119.600 0.400 0.000 2.395 633 M HA 0.503 4.984 4.480 0.001 0.000 0.307 633 M C -1.346 174.945 176.300 -0.015 0.000 1.091 633 M CA -0.751 54.685 55.300 0.227 0.000 0.919 633 M CB 1.925 34.589 32.600 0.107 0.000 1.662 633 M HN 0.436 nan 8.290 nan 0.000 0.440 634 L N 4.675 125.728 121.223 -0.282 0.000 2.406 634 L HA 0.652 4.992 4.340 0.001 0.000 0.272 634 L C -1.841 174.873 176.870 -0.259 0.000 0.980 634 L CA -0.272 54.221 54.840 -0.578 0.000 0.831 634 L CB 1.515 42.834 42.059 -1.232 0.000 1.253 634 L HN 0.672 nan 8.230 nan 0.000 0.406 635 L N 6.107 127.230 121.223 -0.165 0.000 2.295 635 L HA 0.555 4.896 4.340 0.001 0.000 0.285 635 L C -0.826 176.012 176.870 -0.053 0.000 1.035 635 L CA -0.629 54.177 54.840 -0.057 0.000 0.806 635 L CB 1.495 43.563 42.059 0.016 0.000 1.214 635 L HN 0.521 nan 8.230 nan 0.000 0.426 636 L N 2.894 124.098 121.223 -0.030 0.000 2.333 636 L HA 0.699 5.039 4.340 0.001 0.000 0.280 636 L C -0.070 176.802 176.870 0.003 0.000 1.004 636 L CA -0.104 54.732 54.840 -0.007 0.000 0.820 636 L CB 2.055 44.109 42.059 -0.008 0.000 1.247 636 L HN 0.624 nan 8.230 nan 0.000 0.416 637 T N 1.624 116.177 114.554 -0.001 0.000 2.681 637 T HA 0.889 5.240 4.350 0.001 0.000 0.296 637 T C -1.819 172.878 174.700 -0.005 0.000 1.157 637 T CA -0.199 61.912 62.100 0.017 0.000 1.025 637 T CB 2.078 70.972 68.868 0.044 0.000 1.441 637 T HN 0.724 nan 8.240 nan 0.000 0.504 638 A N 0.783 123.621 122.820 0.031 0.000 2.572 638 A HA 0.615 4.935 4.320 0.001 0.000 0.295 638 A C 0.253 177.878 177.584 0.068 0.000 1.072 638 A CA -0.068 51.990 52.037 0.035 0.000 0.691 638 A CB 1.376 20.413 19.000 0.062 0.000 1.291 638 A HN 0.880 nan 8.150 nan 0.000 0.404 639 D N -0.314 120.133 120.400 0.080 0.000 2.350 639 D HA -0.103 4.537 4.640 0.001 0.000 0.216 639 D C 0.513 176.804 176.300 -0.015 0.000 0.968 639 D CA 1.705 55.730 54.000 0.042 0.000 0.894 639 D CB -0.268 40.545 40.800 0.022 0.000 0.909 639 D HN 0.616 nan 8.370 nan 0.000 0.520 640 H N -0.734 118.367 119.070 0.051 0.000 2.486 640 H HA 0.218 4.775 4.556 0.001 0.000 0.284 640 H C -0.513 174.865 175.328 0.084 0.000 1.103 640 H CA -0.571 55.519 56.048 0.069 0.000 1.089 640 H CB 0.144 29.948 29.762 0.070 0.000 1.603 640 H HN -0.014 nan 8.280 nan 0.000 0.557 641 D N 1.687 122.187 120.400 0.167 0.000 2.455 641 D HA -0.046 4.595 4.640 0.001 0.000 0.234 641 D C 0.287 176.666 176.300 0.132 0.000 1.224 641 D CA -0.063 54.041 54.000 0.174 0.000 0.999 641 D CB 0.197 41.120 40.800 0.204 0.000 1.072 641 D HN 0.425 nan 8.370 nan 0.000 0.514 642 D N 1.931 122.395 120.400 0.107 0.000 2.340 642 D HA -0.061 4.579 4.640 0.001 0.000 0.220 642 D C 1.572 177.911 176.300 0.065 0.000 1.039 642 D CA -0.056 53.985 54.000 0.068 0.000 0.866 642 D CB 0.214 41.031 40.800 0.029 0.000 0.913 642 D HN 0.187 nan 8.370 nan 0.000 0.523 643 R N 0.524 121.047 120.500 0.038 0.000 2.052 643 R HA 0.154 4.494 4.340 0.001 0.000 0.224 643 R C 0.050 176.434 176.300 0.139 0.000 1.149 643 R CA 0.880 56.966 56.100 -0.023 0.000 0.962 643 R CB -0.092 29.916 30.300 -0.485 0.000 0.856 643 R HN 0.033 nan 8.270 nan 0.000 0.433 644 V N 3.289 123.247 119.914 0.073 0.000 2.284 644 V HA 0.251 4.372 4.120 0.001 0.000 0.274 644 V C -0.545 175.721 176.094 0.287 0.000 1.023 644 V CA -1.051 61.414 62.300 0.275 0.000 0.808 644 V CB 1.084 32.989 31.823 0.136 0.000 1.035 644 V HN 0.254 nan 8.190 nan 0.000 0.445 645 V N 4.528 124.629 119.914 0.312 0.000 2.681 645 V HA 0.090 4.210 4.120 0.001 0.000 0.306 645 V C -0.468 175.715 176.094 0.148 0.000 1.077 645 V CA -0.425 61.967 62.300 0.153 0.000 1.224 645 V CB 0.124 31.943 31.823 -0.008 0.000 0.879 645 V HN 0.656 nan 8.190 nan 0.000 0.494 646 P HA -0.188 nan 4.420 nan 0.000 0.221 646 P C 1.525 178.821 177.300 -0.007 0.000 1.145 646 P CA 1.597 64.728 63.100 0.051 0.000 0.795 646 P CB -0.014 31.702 31.700 0.027 0.000 0.775 647 L N -2.655 118.493 121.223 -0.125 0.000 2.189 647 L HA -0.163 4.177 4.340 0.001 0.000 0.214 647 L C 2.500 179.256 176.870 -0.190 0.000 1.097 647 L CA 1.875 56.573 54.840 -0.237 0.000 0.764 647 L CB -2.369 39.449 42.059 -0.401 0.000 0.900 647 L HN -0.036 nan 8.230 nan 0.000 0.436 648 H N 0.345 119.387 119.070 -0.047 0.000 2.290 648 H HA -0.087 4.470 4.556 0.001 0.000 0.298 648 H C 2.396 177.737 175.328 0.021 0.000 1.087 648 H CA 1.947 57.997 56.048 0.002 0.000 1.291 648 H CB -0.173 29.614 29.762 0.042 0.000 1.369 648 H HN 0.495 nan 8.280 nan 0.000 0.492 649 S N 0.569 116.369 115.700 0.166 0.000 2.387 649 S HA -0.034 4.437 4.470 0.001 0.000 0.226 649 S C 2.509 177.174 174.600 0.108 0.000 1.026 649 S CA 0.359 58.653 58.200 0.157 0.000 0.972 649 S CB -0.114 63.156 63.200 0.117 0.000 0.814 649 S HN 0.224 nan 8.310 nan 0.000 0.477 650 L N 1.155 122.393 121.223 0.025 0.000 2.017 650 L HA -0.148 4.193 4.340 0.001 0.000 0.208 650 L C 2.394 179.137 176.870 -0.213 0.000 1.073 650 L CA 1.399 56.211 54.840 -0.046 0.000 0.745 650 L CB -0.580 41.347 42.059 -0.220 0.000 0.894 650 L HN 0.251 nan 8.230 nan 0.000 0.432 651 K N -0.662 119.607 120.400 -0.219 0.000 2.097 651 K HA -0.181 4.139 4.320 0.001 0.000 0.206 651 K C 2.082 178.649 176.600 -0.054 0.000 1.049 651 K CA 1.290 57.451 56.287 -0.210 0.000 0.933 651 K CB -0.251 32.170 32.500 -0.132 0.000 0.717 651 K HN 0.052 nan 8.250 nan 0.000 0.442 652 F N 1.605 121.477 119.950 -0.130 0.000 2.113 652 F HA -0.149 4.378 4.527 0.001 0.000 0.297 652 F C 2.001 177.735 175.800 -0.110 0.000 1.103 652 F CA 0.787 58.730 58.000 -0.095 0.000 1.248 652 F CB -0.354 38.617 39.000 -0.050 0.000 0.999 652 F HN -0.126 nan 8.300 nan 0.000 0.475 653 I N 0.489 120.977 120.570 -0.137 0.000 2.315 653 I HA -0.136 4.034 4.170 0.001 0.000 0.248 653 I C 2.408 178.368 176.117 -0.263 0.000 1.117 653 I CA 1.499 62.648 61.300 -0.253 0.000 1.404 653 I CB -1.010 36.922 38.000 -0.114 0.000 1.071 653 I HN 0.138 nan 8.210 nan 0.000 0.419 654 A N -0.874 121.798 122.820 -0.246 0.000 1.902 654 A HA -0.217 4.103 4.320 0.001 0.000 0.217 654 A C 2.348 179.643 177.584 -0.481 0.000 1.181 654 A CA 2.485 54.227 52.037 -0.491 0.000 0.623 654 A CB -1.330 16.964 19.000 -1.176 0.000 0.818 654 A HN 0.451 nan 8.150 nan 0.000 0.443 655 T N 0.380 114.744 114.554 -0.316 0.000 2.777 655 T HA -0.047 4.304 4.350 0.001 0.000 0.266 655 T C 1.834 176.460 174.700 -0.122 0.000 1.040 655 T CA 1.371 63.465 62.100 -0.010 0.000 1.141 655 T CB -0.368 68.551 68.868 0.084 0.000 0.868 655 T HN 0.348 nan 8.240 nan 0.000 0.444 656 L N 0.744 121.761 121.223 -0.343 0.000 2.017 656 L HA -0.169 4.171 4.340 0.001 0.000 0.208 656 L C 2.942 179.581 176.870 -0.386 0.000 1.073 656 L CA 1.500 56.074 54.840 -0.444 0.000 0.745 656 L CB -0.566 41.128 42.059 -0.608 0.000 0.894 656 L HN 0.301 nan 8.230 nan 0.000 0.432 657 Q N -1.464 118.089 119.800 -0.412 0.000 2.124 657 Q HA -0.248 4.092 4.340 0.001 0.000 0.202 657 Q C 2.044 177.916 176.000 -0.213 0.000 0.977 657 Q CA 1.840 57.330 55.803 -0.522 0.000 0.850 657 Q CB -0.195 28.142 28.738 -0.667 0.000 0.901 657 Q HN 0.465 nan 8.270 nan 0.000 0.429 658 Y N 0.757 120.953 120.300 -0.173 0.000 2.176 658 Y HA -0.170 4.380 4.550 0.001 0.000 0.291 658 Y C 1.922 177.795 175.900 -0.046 0.000 1.122 658 Y CA 1.123 59.202 58.100 -0.035 0.000 1.128 658 Y CB 0.031 38.551 38.460 0.099 0.000 1.005 658 Y HN -0.007 nan 8.280 nan 0.000 0.509 659 I N -0.930 119.599 120.570 -0.069 0.000 2.233 659 I HA -0.179 3.991 4.170 0.001 0.000 0.243 659 I C 2.097 178.080 176.117 -0.224 0.000 1.093 659 I CA 1.231 62.436 61.300 -0.158 0.000 1.380 659 I CB -1.119 36.856 38.000 -0.042 0.000 1.067 659 I HN 0.181 nan 8.210 nan 0.000 0.413 660 V N 0.400 120.149 119.914 -0.276 0.000 2.581 660 V HA 0.142 4.263 4.120 0.001 0.000 0.240 660 V C 2.576 178.553 176.094 -0.196 0.000 1.054 660 V CA 1.252 63.368 62.300 -0.307 0.000 1.076 660 V CB -0.879 30.585 31.823 -0.599 0.000 0.748 660 V HN 0.399 nan 8.190 nan 0.000 0.474 661 G N 0.535 109.212 108.800 -0.205 0.000 2.450 661 G HA2 -0.241 3.719 3.960 0.001 0.000 0.220 661 G HA3 -0.241 3.719 3.960 0.001 0.000 0.220 661 G C 1.676 176.616 174.900 0.067 0.000 1.130 661 G CA 0.656 45.722 45.100 -0.057 0.000 0.760 661 G HN 0.431 nan 8.290 nan 0.000 0.557 662 R N 0.780 121.257 120.500 -0.038 0.000 2.236 662 R HA 0.056 4.397 4.340 0.001 0.000 0.208 662 R C 1.386 177.657 176.300 -0.048 0.000 1.036 662 R CA 0.560 56.640 56.100 -0.034 0.000 1.001 662 R CB -0.132 30.088 30.300 -0.133 0.000 0.896 662 R HN 0.450 nan 8.270 nan 0.000 0.464 663 S N 0.677 116.340 115.700 -0.062 0.000 2.562 663 S HA 0.044 4.514 4.470 0.001 0.000 0.281 663 S C 0.982 175.570 174.600 -0.021 0.000 1.333 663 S CA -0.577 57.595 58.200 -0.047 0.000 1.052 663 S CB 1.940 65.111 63.200 -0.048 0.000 0.884 663 S HN 0.252 nan 8.310 nan 0.000 0.506 664 R N 2.593 123.081 120.500 -0.019 0.000 2.120 664 R HA -0.137 4.203 4.340 0.001 0.000 0.234 664 R C 2.109 178.405 176.300 -0.007 0.000 1.123 664 R CA 1.827 57.919 56.100 -0.014 0.000 0.975 664 R CB -0.298 29.994 30.300 -0.013 0.000 0.866 664 R HN 0.914 nan 8.270 nan 0.000 0.446 665 K N -0.175 120.225 120.400 -0.000 0.000 2.365 665 K HA -0.111 4.209 4.320 0.001 0.000 0.199 665 K C 0.532 177.144 176.600 0.020 0.000 1.045 665 K CA 0.519 56.812 56.287 0.010 0.000 0.962 665 K CB 0.086 32.596 32.500 0.017 0.000 0.759 665 K HN -0.024 nan 8.250 nan 0.000 0.469 666 Q N 1.840 121.652 119.800 0.019 0.000 2.344 666 Q HA 0.114 4.454 4.340 0.001 0.000 0.253 666 Q C -0.409 175.608 176.000 0.029 0.000 1.050 666 Q CA 0.044 55.868 55.803 0.036 0.000 0.912 666 Q CB 0.687 29.441 28.738 0.028 0.000 1.258 666 Q HN 0.241 nan 8.270 nan 0.000 0.443 667 N N 2.548 121.267 118.700 0.031 0.000 2.273 667 N HA 0.065 4.806 4.740 0.001 0.000 0.192 667 N C -0.672 174.854 175.510 0.028 0.000 1.132 667 N CA 0.015 53.070 53.050 0.009 0.000 0.887 667 N CB 0.432 38.921 38.487 0.004 0.000 1.048 667 N HN 0.415 nan 8.380 nan 0.000 0.490 668 N N 3.060 121.798 118.700 0.064 0.000 2.497 668 N HA 0.164 4.905 4.740 0.001 0.000 0.271 668 N C -2.366 173.213 175.510 0.114 0.000 1.142 668 N CA -0.942 52.158 53.050 0.083 0.000 0.965 668 N CB 0.721 39.271 38.487 0.105 0.000 1.077 668 N HN 0.164 nan 8.380 nan 0.000 0.462 669 P HA 0.137 nan 4.420 nan 0.000 0.271 669 P C -0.749 176.691 177.300 0.233 0.000 1.218 669 P CA -0.045 63.161 63.100 0.176 0.000 0.780 669 P CB 0.885 32.542 31.700 -0.072 0.000 0.901 670 L N 3.539 124.904 121.223 0.237 0.000 2.401 670 L HA 0.466 4.806 4.340 0.001 0.000 0.263 670 L C 0.031 176.891 176.870 -0.017 0.000 1.004 670 L CA -0.330 54.533 54.840 0.037 0.000 0.881 670 L CB 0.833 42.804 42.059 -0.147 0.000 1.219 670 L HN 0.238 nan 8.230 nan 0.000 0.441 671 L N 3.390 124.572 121.223 -0.069 0.000 2.309 671 L HA 0.680 5.021 4.340 0.001 0.000 0.261 671 L C -0.802 175.967 176.870 -0.170 0.000 1.021 671 L CA -0.794 53.966 54.840 -0.133 0.000 0.823 671 L CB 3.135 45.084 42.059 -0.183 0.000 1.366 671 L HN 0.435 nan 8.230 nan 0.000 0.423 672 I N -0.142 120.347 120.570 -0.135 0.000 2.647 672 I HA 0.449 4.619 4.170 0.001 0.000 0.295 672 I C -1.658 174.448 176.117 -0.018 0.000 1.078 672 I CA -0.393 60.856 61.300 -0.084 0.000 1.048 672 I CB 2.391 40.357 38.000 -0.057 0.000 1.239 672 I HN 0.667 nan 8.210 nan 0.000 0.421 673 H N 5.830 124.838 119.070 -0.104 0.000 2.658 673 H HA 0.588 5.144 4.556 0.001 0.000 0.337 673 H C -1.800 173.506 175.328 -0.037 0.000 1.009 673 H CA -0.454 55.548 56.048 -0.076 0.000 1.231 673 H CB 1.708 31.422 29.762 -0.080 0.000 1.508 673 H HN 0.235 nan 8.280 nan 0.000 0.517 674 V N 5.493 125.157 119.914 -0.417 0.000 2.334 674 V HA 0.179 4.300 4.120 0.001 0.000 0.281 674 V C 0.193 176.017 176.094 -0.451 0.000 1.016 674 V CA -0.793 61.327 62.300 -0.300 0.000 0.832 674 V CB 1.047 32.800 31.823 -0.117 0.000 0.999 674 V HN 0.803 nan 8.190 nan 0.000 0.439 675 D N 3.301 123.498 120.400 -0.338 0.000 2.354 675 D HA 0.504 5.145 4.640 0.001 0.000 0.247 675 D C 0.345 176.613 176.300 -0.054 0.000 1.138 675 D CA 0.074 53.950 54.000 -0.207 0.000 0.958 675 D CB 1.662 42.415 40.800 -0.078 0.000 1.144 675 D HN 0.686 nan 8.370 nan 0.000 0.458 676 T N -1.445 113.106 114.554 -0.005 0.000 2.945 676 T HA 0.407 4.758 4.350 0.001 0.000 0.286 676 T C -0.052 174.673 174.700 0.043 0.000 1.025 676 T CA -0.922 61.210 62.100 0.055 0.000 1.039 676 T CB 1.088 69.985 68.868 0.048 0.000 1.068 676 T HN 0.489 nan 8.240 nan 0.000 0.497 677 K N -0.390 120.030 120.400 0.033 0.000 3.035 677 K HA -0.077 4.243 4.320 0.001 0.000 0.262 677 K C -0.043 176.500 176.600 -0.095 0.000 1.024 677 K CA 0.616 56.819 56.287 -0.142 0.000 0.748 677 K CB -2.186 30.259 32.500 -0.091 0.000 1.247 677 K HN 1.035 nan 8.250 nan 0.000 0.482 678 A N -0.747 122.069 122.820 -0.006 0.000 2.587 678 A HA 0.848 5.168 4.320 0.001 0.000 0.293 678 A C 0.221 177.871 177.584 0.110 0.000 1.087 678 A CA -0.103 51.954 52.037 0.034 0.000 0.692 678 A CB 2.006 21.028 19.000 0.036 0.000 1.291 678 A HN 0.259 nan 8.150 nan 0.000 0.407 679 G N -1.170 107.696 108.800 0.109 0.000 3.259 679 G HA2 0.407 4.368 3.960 0.001 0.000 0.178 679 G HA3 0.407 4.368 3.960 0.001 0.000 0.178 679 G C 0.517 175.518 174.900 0.169 0.000 1.129 679 G CA 0.425 45.621 45.100 0.160 0.000 0.816 679 G HN 0.863 nan 8.290 nan 0.000 0.634 680 H N -0.537 118.577 119.070 0.074 0.000 2.456 680 H HA 0.125 4.682 4.556 0.001 0.000 0.296 680 H C 1.933 177.289 175.328 0.047 0.000 1.079 680 H CA 2.733 58.817 56.048 0.061 0.000 1.322 680 H CB 0.249 30.052 29.762 0.068 0.000 1.388 680 H HN 0.812 nan 8.280 nan 0.000 0.538 681 G N -2.024 106.817 108.800 0.067 0.000 3.505 681 G HA2 -0.079 3.881 3.960 0.001 0.000 0.210 681 G HA3 -0.079 3.881 3.960 0.001 0.000 0.210 681 G C 0.310 175.229 174.900 0.033 0.000 1.047 681 G CA -0.107 44.995 45.100 0.003 0.000 0.884 681 G HN 0.595 nan 8.290 nan 0.000 0.434 682 A N 0.761 123.619 122.820 0.063 0.000 2.546 682 A HA 0.553 4.873 4.320 0.001 0.000 0.243 682 A C 1.961 179.575 177.584 0.049 0.000 1.063 682 A CA 1.919 53.989 52.037 0.055 0.000 0.757 682 A CB -0.353 18.691 19.000 0.072 0.000 0.991 682 A HN 2.438 nan 8.150 nan 0.000 0.503 683 G N 1.213 110.035 108.800 0.037 0.000 2.162 683 G HA2 -0.292 3.668 3.960 0.001 0.000 0.260 683 G HA3 -0.292 3.668 3.960 0.001 0.000 0.260 683 G C 0.385 175.304 174.900 0.031 0.000 0.976 683 G CA 0.772 45.893 45.100 0.035 0.000 0.655 683 G HN 1.087 nan 8.290 nan 0.000 0.533 684 K N 1.881 122.299 120.400 0.029 0.000 2.451 684 K HA 0.300 4.620 4.320 0.001 0.000 0.280 684 K C -1.481 175.134 176.600 0.024 0.000 1.020 684 K CA -1.010 55.291 56.287 0.023 0.000 1.008 684 K CB 0.667 33.178 32.500 0.019 0.000 0.917 684 K HN 0.176 nan 8.250 nan 0.000 0.478 685 P HA -0.021 nan 4.420 nan 0.000 0.272 685 P C 0.166 177.485 177.300 0.032 0.000 1.223 685 P CA -0.172 62.944 63.100 0.027 0.000 0.784 685 P CB 0.817 32.529 31.700 0.021 0.000 0.923 686 T N 1.886 116.471 114.554 0.052 0.000 2.685 686 T HA -0.231 4.119 4.350 0.001 0.000 0.268 686 T C 1.886 176.610 174.700 0.041 0.000 1.034 686 T CA 2.388 64.532 62.100 0.075 0.000 1.149 686 T CB -0.745 68.209 68.868 0.143 0.000 0.860 686 T HN 0.562 nan 8.240 nan 0.000 0.449 687 A N 1.536 124.380 122.820 0.040 0.000 1.908 687 A HA -0.166 4.155 4.320 0.001 0.000 0.218 687 A C 2.283 179.883 177.584 0.027 0.000 1.181 687 A CA 1.722 53.780 52.037 0.034 0.000 0.627 687 A CB -0.434 18.584 19.000 0.030 0.000 0.818 687 A HN 0.480 nan 8.150 nan 0.000 0.445 688 K N -0.606 119.808 120.400 0.024 0.000 2.103 688 K HA -0.002 4.319 4.320 0.001 0.000 0.204 688 K C 1.874 178.483 176.600 0.016 0.000 1.052 688 K CA 1.126 57.429 56.287 0.026 0.000 0.945 688 K CB -0.269 32.247 32.500 0.027 0.000 0.722 688 K HN 0.308 nan 8.250 nan 0.000 0.443 689 V N 1.974 121.885 119.914 -0.006 0.000 2.295 689 V HA -0.263 3.858 4.120 0.001 0.000 0.246 689 V C 2.171 178.241 176.094 -0.040 0.000 1.049 689 V CA 1.670 63.946 62.300 -0.040 0.000 1.024 689 V CB -0.371 31.392 31.823 -0.099 0.000 0.648 689 V HN 0.278 nan 8.190 nan 0.000 0.447 690 I N -0.359 120.188 120.570 -0.038 0.000 2.226 690 I HA -0.189 3.981 4.170 0.001 0.000 0.245 690 I C 2.653 178.805 176.117 0.059 0.000 1.100 690 I CA 1.306 62.611 61.300 0.008 0.000 1.374 690 I CB -0.437 37.576 38.000 0.022 0.000 1.057 690 I HN 0.325 nan 8.210 nan 0.000 0.413 691 E N 0.578 120.804 120.200 0.043 0.000 2.110 691 E HA -0.272 4.079 4.350 0.001 0.000 0.193 691 E C 1.943 178.563 176.600 0.033 0.000 0.988 691 E CA 1.204 57.629 56.400 0.042 0.000 0.804 691 E CB -0.269 29.456 29.700 0.041 0.000 0.745 691 E HN 0.568 nan 8.360 nan 0.000 0.458 692 E N 0.812 121.032 120.200 0.034 0.000 2.051 692 E HA -0.152 4.198 4.350 0.001 0.000 0.192 692 E C 2.220 178.825 176.600 0.008 0.000 0.991 692 E CA 1.810 58.224 56.400 0.024 0.000 0.799 692 E CB 0.113 29.828 29.700 0.026 0.000 0.748 692 E HN 0.156 nan 8.360 nan 0.000 0.449 693 V N -1.173 118.773 119.914 0.053 0.000 2.515 693 V HA -0.143 3.977 4.120 0.001 0.000 0.250 693 V C 2.190 178.290 176.094 0.010 0.000 1.058 693 V CA 1.826 64.193 62.300 0.111 0.000 1.064 693 V CB -0.432 31.553 31.823 0.269 0.000 0.675 693 V HN 0.102 nan 8.190 nan 0.000 0.461 694 S N 0.690 116.419 115.700 0.049 0.000 2.368 694 S HA -0.174 4.296 4.470 0.001 0.000 0.225 694 S C 1.714 176.262 174.600 -0.086 0.000 1.030 694 S CA 1.721 59.916 58.200 -0.007 0.000 0.999 694 S CB -0.516 62.761 63.200 0.129 0.000 0.844 694 S HN 0.700 nan 8.310 nan 0.000 0.459 695 D N 1.377 121.739 120.400 -0.064 0.000 2.097 695 D HA -0.029 4.612 4.640 0.001 0.000 0.197 695 D C 1.937 178.192 176.300 -0.075 0.000 0.984 695 D CA 1.013 54.970 54.000 -0.073 0.000 0.826 695 D CB -0.310 40.424 40.800 -0.109 0.000 0.973 695 D HN 0.356 nan 8.370 nan 0.000 0.460 696 M N -0.478 119.025 119.600 -0.161 0.000 2.065 696 M HA -0.154 4.327 4.480 0.001 0.000 0.259 696 M C 2.098 178.173 176.300 -0.375 0.000 1.069 696 M CA 1.477 56.605 55.300 -0.287 0.000 1.110 696 M CB -0.419 31.904 32.600 -0.462 0.000 1.328 696 M HN -0.037 nan 8.290 nan 0.000 0.405 697 F N -0.174 119.650 119.950 -0.211 0.000 2.407 697 F HA -0.019 4.509 4.527 0.001 0.000 0.299 697 F C 2.517 178.288 175.800 -0.048 0.000 1.097 697 F CA 0.818 58.690 58.000 -0.213 0.000 1.422 697 F CB -0.565 38.054 39.000 -0.635 0.000 1.067 697 F HN 0.120 nan 8.300 nan 0.000 0.539 698 A N -0.219 122.628 122.820 0.044 0.000 1.897 698 A HA -0.164 4.156 4.320 0.001 0.000 0.215 698 A C 1.997 179.665 177.584 0.140 0.000 1.181 698 A CA 0.995 53.082 52.037 0.083 0.000 0.620 698 A CB -1.152 17.867 19.000 0.032 0.000 0.821 698 A HN 0.370 nan 8.150 nan 0.000 0.443 699 F N 0.815 120.781 119.950 0.027 0.000 2.102 699 F HA -0.166 4.362 4.527 0.001 0.000 0.298 699 F C 1.969 177.850 175.800 0.135 0.000 1.105 699 F CA 1.716 59.787 58.000 0.118 0.000 1.239 699 F CB -0.287 38.763 39.000 0.083 0.000 0.991 699 F HN 0.180 nan 8.300 nan 0.000 0.474 700 I N 0.120 120.797 120.570 0.178 0.000 2.127 700 I HA -0.349 3.821 4.170 0.001 0.000 0.241 700 I C 2.708 178.913 176.117 0.146 0.000 1.075 700 I CA 1.376 62.761 61.300 0.142 0.000 1.334 700 I CB -1.027 37.110 38.000 0.227 0.000 1.040 700 I HN 0.227 nan 8.210 nan 0.000 0.405 701 A N 0.642 123.585 122.820 0.206 0.000 1.883 701 A HA -0.276 4.044 4.320 0.001 0.000 0.217 701 A C 2.438 180.077 177.584 0.092 0.000 1.186 701 A CA 2.123 54.279 52.037 0.199 0.000 0.624 701 A CB -0.698 18.447 19.000 0.242 0.000 0.822 701 A HN 0.384 nan 8.150 nan 0.000 0.444 702 R N -0.883 119.627 120.500 0.017 0.000 2.066 702 R HA -0.124 4.217 4.340 0.001 0.000 0.232 702 R C 2.202 178.480 176.300 -0.036 0.000 1.131 702 R CA 1.863 57.930 56.100 -0.055 0.000 0.955 702 R CB -0.698 29.483 30.300 -0.199 0.000 0.851 702 R HN 0.546 nan 8.270 nan 0.000 0.432 703 C N 0.534 119.782 119.300 -0.087 0.000 2.425 703 C HA -0.038 4.423 4.460 0.001 0.000 0.277 703 C C 2.208 177.194 174.990 -0.007 0.000 1.280 703 C CA 0.561 59.528 59.018 -0.085 0.000 1.744 703 C CB -0.696 26.863 27.740 -0.303 0.000 1.989 703 C HN 0.509 nan 8.230 nan 0.000 0.491 704 L N 0.456 121.696 121.223 0.029 0.000 2.607 704 L HA 0.165 4.506 4.340 0.001 0.000 0.228 704 L C 0.634 177.548 176.870 0.074 0.000 1.123 704 L CA 0.129 55.011 54.840 0.071 0.000 0.890 704 L CB -0.697 41.436 42.059 0.122 0.000 1.103 704 L HN 0.320 nan 8.230 nan 0.000 0.468 705 N N 1.882 120.620 118.700 0.063 0.000 2.714 705 N HA -0.211 4.529 4.740 0.001 0.000 0.253 705 N C -0.406 175.156 175.510 0.086 0.000 1.024 705 N CA 0.483 53.570 53.050 0.062 0.000 0.726 705 N CB -1.154 37.359 38.487 0.044 0.000 0.908 705 N HN 0.345 nan 8.380 nan 0.000 0.542 706 I N 0.350 120.994 120.570 0.122 0.000 2.395 706 I HA 0.118 4.289 4.170 0.001 0.000 0.289 706 I C 0.602 176.815 176.117 0.160 0.000 1.023 706 I CA -0.580 60.805 61.300 0.143 0.000 1.350 706 I CB 0.645 38.763 38.000 0.197 0.000 1.409 706 I HN 0.067 nan 8.210 nan 0.000 0.507 707 D N 6.036 126.516 120.400 0.135 0.000 2.351 707 D HA 0.015 4.656 4.640 0.001 0.000 0.251 707 D C -0.454 175.977 176.300 0.219 0.000 1.137 707 D CA -0.138 53.957 54.000 0.158 0.000 0.879 707 D CB 1.123 41.986 40.800 0.105 0.000 1.181 707 D HN 0.425 nan 8.370 nan 0.000 0.448 708 W N 4.319 125.663 121.300 0.073 0.000 2.253 708 W HA 0.244 4.904 4.660 0.001 0.000 0.322 708 W C -0.925 175.645 176.519 0.085 0.000 1.342 708 W CA -0.400 56.999 57.345 0.090 0.000 1.218 708 W CB 0.438 29.945 29.460 0.079 0.000 1.205 708 W HN 0.279 nan 8.180 nan 0.000 0.551 709 I N 9.876 130.203 120.570 -0.406 0.000 2.330 709 I HA 0.163 4.333 4.170 0.001 0.000 0.286 709 I C -1.485 174.370 176.117 -0.436 0.000 1.025 709 I CA -2.194 58.928 61.300 -0.297 0.000 1.197 709 I CB 1.288 39.144 38.000 -0.240 0.000 1.358 709 I HN 0.130 nan 8.210 nan 0.000 0.467 710 P HA 0.000 nan 4.420 nan 0.000 0.216 710 P CA 0.000 63.142 63.100 0.069 0.000 0.800 710 P CB 0.000 31.817 31.700 0.195 0.000 0.726