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 1ylh_1_A DATA FIRST_RESID 4 DATA SEQUENCE DLNKLVKELN DLGLTDVKEI VYNPSYEQLF EEETKPGLEG FDKGTLTTLG DATA SEQUENCE AVAVDTGIFT GRSPKDKYIV CDETTKDTVW WNSEAXAKND NKPMTQETWK DATA SEQUENCE SLRELVAKQL SGKRLFVVEG YCGASEKHRI GVRMVTEVAW QAHFVKNMFI DATA SEQUENCE RPTDEELKNF KADFTVLNGA KCTNPNWKEQ GLNSENFVAF NITEGIQLIG DATA SEQUENCE GTWYGGEMKK GMFSMMNYFL PLKGVASMHC SANVGKDGDV AIFFGLSGTG DATA SEQUENCE KTTLSTDPKR QLIGDDEHGW DESGVFNFEG GCYAKTINLS QENEPDIYGA DATA SEQUENCE IRRDALLENV VVRADGSVDF DDGSKTENTR VSYPIYHIDN IVRPVSKAGH DATA SEQUENCE ATKVIFLTAD AFGVLPPVSK LTPEQTEYYF LSGFTAXXXX XXXXXXXPTP DATA SEQUENCE TFSACFGAAF LSLHPIQYAD VLVERMKASG AEAYLVNTGW NGTGKRISIK DATA SEQUENCE DTRGIIDAIL DGSIEKAEMG ELPIFNLAIP KALPGVDPAI LDPRDTYADK DATA SEQUENCE AQWQVKAEDL ANRFVKNFVK YTANPEAAKL VGAGPK 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 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.362 176.300 0.103 0.000 2.045 4 D CA 0.000 54.062 54.000 0.103 0.000 0.868 4 D CB 0.000 40.888 40.800 0.146 0.000 0.688 5 L N 1.147 122.413 121.223 0.072 0.000 2.093 5 L HA 0.034 4.567 4.340 0.322 0.000 0.208 5 L C 1.592 178.428 176.870 -0.055 0.000 1.085 5 L CA 1.488 56.315 54.840 -0.022 0.000 0.755 5 L CB -1.101 40.950 42.059 -0.014 0.000 0.904 5 L HN 0.245 nan 8.230 nan 0.000 0.435 6 N N 0.458 119.146 118.700 -0.019 0.000 2.084 6 N HA -0.239 4.694 4.740 0.322 0.000 0.190 6 N C 1.797 177.291 175.510 -0.027 0.000 1.030 6 N CA 1.172 54.207 53.050 -0.025 0.000 0.849 6 N CB -0.197 38.284 38.487 -0.009 0.000 1.012 6 N HN 0.338 nan 8.380 nan 0.000 0.423 7 K N 0.614 121.010 120.400 -0.008 0.000 2.097 7 K HA -0.096 4.417 4.320 0.322 0.000 0.206 7 K C 2.010 178.596 176.600 -0.024 0.000 1.049 7 K CA 0.647 56.933 56.287 -0.001 0.000 0.933 7 K CB -0.128 32.388 32.500 0.027 0.000 0.717 7 K HN 0.004 nan 8.250 nan 0.000 0.442 8 L N 0.686 121.873 121.223 -0.059 0.000 2.017 8 L HA -0.136 4.398 4.340 0.322 0.000 0.208 8 L C 1.938 178.731 176.870 -0.128 0.000 1.073 8 L CA 1.508 56.268 54.840 -0.134 0.000 0.745 8 L CB -0.514 41.341 42.059 -0.340 0.000 0.894 8 L HN -0.021 nan 8.230 nan 0.000 0.432 9 V N 0.497 120.339 119.914 -0.121 0.000 2.392 9 V HA -0.313 4.000 4.120 0.322 0.000 0.249 9 V C 3.074 179.128 176.094 -0.067 0.000 1.059 9 V CA 2.412 64.653 62.300 -0.099 0.000 1.051 9 V CB -1.603 30.169 31.823 -0.084 0.000 0.658 9 V HN 0.654 nan 8.190 nan 0.000 0.455 10 K N 0.047 120.417 120.400 -0.050 0.000 2.026 10 K HA -0.250 4.263 4.320 0.322 0.000 0.208 10 K C 1.976 178.557 176.600 -0.032 0.000 1.048 10 K CA 1.921 58.188 56.287 -0.034 0.000 0.929 10 K CB -0.834 31.653 32.500 -0.022 0.000 0.713 10 K HN 0.653 nan 8.250 nan 0.000 0.439 11 E N 0.160 120.341 120.200 -0.032 0.000 2.110 11 E HA -0.056 4.487 4.350 0.322 0.000 0.193 11 E C 2.136 178.716 176.600 -0.033 0.000 0.988 11 E CA 1.168 57.554 56.400 -0.024 0.000 0.804 11 E CB -0.198 29.493 29.700 -0.014 0.000 0.745 11 E HN 0.485 nan 8.360 nan 0.000 0.458 12 L N 0.602 121.793 121.223 -0.052 0.000 2.093 12 L HA -0.169 4.364 4.340 0.322 0.000 0.208 12 L C 1.963 178.805 176.870 -0.048 0.000 1.085 12 L CA 1.113 55.919 54.840 -0.057 0.000 0.755 12 L CB -0.472 41.538 42.059 -0.081 0.000 0.904 12 L HN 0.185 nan 8.230 nan 0.000 0.435 13 N N -0.129 118.544 118.700 -0.045 0.000 2.166 13 N HA -0.193 4.741 4.740 0.322 0.000 0.186 13 N C 1.177 176.669 175.510 -0.029 0.000 1.019 13 N CA 1.132 54.160 53.050 -0.038 0.000 0.856 13 N CB -0.005 38.461 38.487 -0.035 0.000 0.993 13 N HN 0.305 nan 8.380 nan 0.000 0.426 14 D N 0.653 121.039 120.400 -0.023 0.000 2.310 14 D HA -0.048 4.786 4.640 0.322 0.000 0.212 14 D C 1.598 177.891 176.300 -0.011 0.000 0.965 14 D CA 0.593 54.584 54.000 -0.014 0.000 0.879 14 D CB 0.074 40.868 40.800 -0.009 0.000 0.921 14 D HN 0.337 nan 8.370 nan 0.000 0.510 15 L N -0.890 120.322 121.223 -0.019 0.000 2.509 15 L HA 0.162 4.695 4.340 0.322 0.000 0.222 15 L C 1.635 178.486 176.870 -0.032 0.000 1.123 15 L CA 0.551 55.380 54.840 -0.017 0.000 0.856 15 L CB 0.282 42.327 42.059 -0.023 0.000 0.985 15 L HN 0.148 nan 8.230 nan 0.000 0.456 16 G N -0.460 108.319 108.800 -0.036 0.000 2.229 16 G HA2 -0.198 3.955 3.960 0.322 0.000 0.189 16 G HA3 -0.198 3.955 3.960 0.322 0.000 0.189 16 G C -0.074 174.797 174.900 -0.048 0.000 1.000 16 G CA -0.621 44.453 45.100 -0.044 0.000 0.663 16 G HN 0.046 nan 8.290 nan 0.000 0.493 17 L N 2.555 123.748 121.223 -0.050 0.000 2.416 17 L HA 0.623 5.157 4.340 0.322 0.000 0.272 17 L C 1.158 177.999 176.870 -0.048 0.000 1.161 17 L CA 1.092 55.901 54.840 -0.053 0.000 0.845 17 L CB 1.249 43.273 42.059 -0.060 0.000 1.119 17 L HN 0.482 nan 8.230 nan 0.000 0.464 18 T N -2.140 112.386 114.554 -0.046 0.000 2.887 18 T HA 0.466 5.009 4.350 0.322 0.000 0.292 18 T C 0.008 174.683 174.700 -0.042 0.000 1.087 18 T CA -0.652 61.423 62.100 -0.041 0.000 1.009 18 T CB 1.416 70.263 68.868 -0.035 0.000 1.203 18 T HN 0.537 nan 8.240 nan 0.000 0.518 19 D N -0.114 120.263 120.400 -0.039 0.000 2.701 19 D HA -0.149 4.684 4.640 0.322 0.000 0.235 19 D C -0.175 176.097 176.300 -0.046 0.000 1.155 19 D CA 0.496 54.474 54.000 -0.038 0.000 0.649 19 D CB -1.467 39.314 40.800 -0.032 0.000 1.050 19 D HN 0.637 nan 8.370 nan 0.000 0.425 20 V N 0.987 120.868 119.914 -0.055 0.000 2.585 20 V HA 0.050 4.363 4.120 0.322 0.000 0.296 20 V C 1.411 177.463 176.094 -0.070 0.000 1.035 20 V CA 0.183 62.441 62.300 -0.069 0.000 1.084 20 V CB 1.216 32.990 31.823 -0.082 0.000 0.953 20 V HN 0.110 nan 8.190 nan 0.000 0.483 21 K N 3.008 123.362 120.400 -0.078 0.000 2.711 21 K HA 0.313 4.826 4.320 0.322 0.000 0.305 21 K C 0.431 176.973 176.600 -0.095 0.000 0.974 21 K CA -0.652 55.590 56.287 -0.075 0.000 1.394 21 K CB 0.148 32.606 32.500 -0.069 0.000 1.670 21 K HN 0.780 nan 8.250 nan 0.000 0.748 22 E N 0.930 121.069 120.200 -0.101 0.000 2.413 22 E HA 0.058 4.602 4.350 0.322 0.000 0.263 22 E C -0.723 175.774 176.600 -0.172 0.000 1.015 22 E CA 0.099 56.430 56.400 -0.116 0.000 0.916 22 E CB 0.336 29.974 29.700 -0.105 0.000 0.947 22 E HN 0.239 nan 8.360 nan 0.000 0.440 23 I N 4.429 124.902 120.570 -0.162 0.000 2.406 23 I HA 0.165 4.528 4.170 0.322 0.000 0.290 23 I C -0.775 175.250 176.117 -0.153 0.000 0.999 23 I CA -1.048 60.131 61.300 -0.201 0.000 1.124 23 I CB 1.952 39.828 38.000 -0.208 0.000 1.289 23 I HN 0.325 nan 8.210 nan 0.000 0.441 24 V N 7.145 126.928 119.914 -0.218 0.000 2.320 24 V HA 0.145 4.458 4.120 0.322 0.000 0.265 24 V C -0.586 175.562 176.094 0.091 0.000 1.048 24 V CA -0.425 61.831 62.300 -0.074 0.000 0.865 24 V CB 0.362 32.097 31.823 -0.146 0.000 1.043 24 V HN 0.398 nan 8.190 nan 0.000 0.474 25 Y N 5.535 125.809 120.300 -0.043 0.000 2.367 25 Y HA 0.356 5.099 4.550 0.321 0.000 0.342 25 Y C 1.001 176.876 175.900 -0.041 0.000 0.979 25 Y CA -1.505 56.569 58.100 -0.044 0.000 1.161 25 Y CB 0.437 38.864 38.460 -0.055 0.000 1.155 25 Y HN 0.792 nan 8.280 nan 0.000 0.503 26 N N 4.884 123.621 118.700 0.063 0.000 2.686 26 N HA -0.173 4.760 4.740 0.322 0.000 0.261 26 N C -2.630 172.835 175.510 -0.076 0.000 1.001 26 N CA 0.613 53.593 53.050 -0.118 0.000 0.764 26 N CB -0.915 37.368 38.487 -0.341 0.000 0.898 26 N HN 0.440 nan 8.380 nan 0.000 0.544 27 P HA 0.056 nan 4.420 nan 0.000 0.270 27 P C 0.383 177.643 177.300 -0.066 0.000 1.223 27 P CA -0.133 62.973 63.100 0.011 0.000 0.785 27 P CB 0.638 32.397 31.700 0.099 0.000 0.923 28 S N 1.077 116.756 115.700 -0.035 0.000 2.624 28 S HA 0.097 4.760 4.470 0.322 0.000 0.263 28 S C 1.045 175.616 174.600 -0.048 0.000 1.287 28 S CA -0.185 57.988 58.200 -0.045 0.000 0.990 28 S CB -0.102 63.114 63.200 0.025 0.000 0.950 28 S HN 0.345 nan 8.310 nan 0.000 0.561 29 Y N 0.828 121.138 120.300 0.017 0.000 2.274 29 Y HA -0.023 4.719 4.550 0.320 0.000 0.290 29 Y C 2.491 178.405 175.900 0.023 0.000 1.145 29 Y CA 1.729 59.820 58.100 -0.015 0.000 1.203 29 Y CB -0.643 37.835 38.460 0.029 0.000 0.984 29 Y HN 0.728 nan 8.280 nan 0.000 0.533 30 E N -0.304 120.009 120.200 0.188 0.000 2.072 30 E HA -0.200 4.343 4.350 0.322 0.000 0.191 30 E C 2.107 178.806 176.600 0.166 0.000 0.985 30 E CA 1.395 57.876 56.400 0.134 0.000 0.801 30 E CB -0.235 29.508 29.700 0.072 0.000 0.750 30 E HN 0.528 nan 8.360 nan 0.000 0.452 31 Q N 0.019 119.895 119.800 0.126 0.000 2.079 31 Q HA -0.091 4.443 4.340 0.322 0.000 0.200 31 Q C 2.265 178.353 176.000 0.146 0.000 0.974 31 Q CA 0.949 56.830 55.803 0.129 0.000 0.840 31 Q CB -0.120 28.679 28.738 0.101 0.000 0.898 31 Q HN 0.284 nan 8.270 nan 0.000 0.430 32 L N -0.348 120.938 121.223 0.105 0.000 2.046 32 L HA -0.189 4.344 4.340 0.322 0.000 0.208 32 L C 2.277 179.216 176.870 0.114 0.000 1.077 32 L CA 1.018 55.892 54.840 0.057 0.000 0.747 32 L CB -0.384 41.629 42.059 -0.077 0.000 0.896 32 L HN 0.208 nan 8.230 nan 0.000 0.432 33 F N 1.055 121.022 119.950 0.027 0.000 2.095 33 F HA -0.264 4.460 4.527 0.329 0.000 0.298 33 F C 2.459 178.304 175.800 0.075 0.000 1.104 33 F CA 1.879 59.917 58.000 0.065 0.000 1.232 33 F CB -0.101 38.939 39.000 0.066 0.000 0.987 33 F HN 0.071 nan 8.300 nan 0.000 0.475 34 E N -0.325 120.071 120.200 0.326 0.000 2.106 34 E HA -0.197 4.346 4.350 0.322 0.000 0.192 34 E C 2.098 178.762 176.600 0.108 0.000 0.984 34 E CA 1.182 57.708 56.400 0.211 0.000 0.806 34 E CB -0.257 29.566 29.700 0.206 0.000 0.750 34 E HN 0.471 nan 8.360 nan 0.000 0.458 35 E N 1.011 121.281 120.200 0.117 0.000 2.110 35 E HA -0.191 4.352 4.350 0.322 0.000 0.193 35 E C 1.791 178.425 176.600 0.058 0.000 0.988 35 E CA 0.996 57.465 56.400 0.115 0.000 0.804 35 E CB -0.072 29.711 29.700 0.139 0.000 0.745 35 E HN 0.401 nan 8.360 nan 0.000 0.458 36 E N -0.208 119.998 120.200 0.011 0.000 2.347 36 E HA -0.074 4.470 4.350 0.322 0.000 0.196 36 E C 1.384 177.962 176.600 -0.036 0.000 1.008 36 E CA 1.321 57.728 56.400 0.012 0.000 0.852 36 E CB 0.122 29.827 29.700 0.009 0.000 0.783 36 E HN 0.228 nan 8.360 nan 0.000 0.505 37 T N -1.235 113.269 114.554 -0.084 0.000 3.132 37 T HA 0.115 4.658 4.350 0.322 0.000 0.274 37 T C 0.290 174.983 174.700 -0.011 0.000 1.011 37 T CA -0.696 61.351 62.100 -0.088 0.000 0.899 37 T CB -0.146 68.597 68.868 -0.208 0.000 1.089 37 T HN 0.000 nan 8.240 nan 0.000 0.543 38 K N 1.579 121.996 120.400 0.027 0.000 2.355 38 K HA 0.428 4.941 4.320 0.322 0.000 0.270 38 K C -2.901 173.723 176.600 0.040 0.000 1.003 38 K CA -1.383 54.933 56.287 0.048 0.000 0.957 38 K CB -0.459 32.084 32.500 0.073 0.000 0.939 38 K HN -0.027 nan 8.250 nan 0.000 0.482 39 P HA 0.085 nan 4.420 nan 0.000 0.271 39 P C 0.479 177.799 177.300 0.033 0.000 1.216 39 P CA 0.522 63.639 63.100 0.029 0.000 0.776 39 P CB 1.048 32.764 31.700 0.027 0.000 0.881 40 G N 1.180 109.996 108.800 0.026 0.000 2.238 40 G HA2 -0.194 3.959 3.960 0.322 0.000 0.217 40 G HA3 -0.194 3.959 3.960 0.322 0.000 0.217 40 G C -0.002 174.919 174.900 0.035 0.000 0.996 40 G CA -0.514 44.603 45.100 0.029 0.000 0.632 40 G HN 0.450 nan 8.290 nan 0.000 0.503 41 L N 1.544 122.792 121.223 0.042 0.000 2.490 41 L HA 0.556 5.089 4.340 0.322 0.000 0.274 41 L C 0.924 177.812 176.870 0.030 0.000 1.201 41 L CA 0.818 55.691 54.840 0.056 0.000 0.869 41 L CB 0.427 42.529 42.059 0.072 0.000 1.123 41 L HN 0.562 nan 8.230 nan 0.000 0.484 42 E N 1.924 122.145 120.200 0.035 0.000 2.320 42 E HA 0.670 5.213 4.350 0.322 0.000 0.264 42 E C 0.373 176.951 176.600 -0.037 0.000 0.923 42 E CA -0.294 56.100 56.400 -0.009 0.000 0.796 42 E CB 1.463 31.162 29.700 -0.001 0.000 1.262 42 E HN 0.992 nan 8.360 nan 0.000 0.428 43 G N -0.354 108.354 108.800 -0.154 0.000 2.574 43 G HA2 -0.228 3.925 3.960 0.322 0.000 0.282 43 G HA3 -0.228 3.925 3.960 0.322 0.000 0.282 43 G C 0.596 175.246 174.900 -0.417 0.000 1.257 43 G CA 0.572 45.461 45.100 -0.352 0.000 0.956 43 G HN 1.104 nan 8.290 nan 0.000 0.560 44 F N 1.594 121.391 119.950 -0.255 0.000 2.771 44 F HA 0.152 4.845 4.527 0.277 0.000 0.299 44 F C 2.271 178.115 175.800 0.073 0.000 1.177 44 F CA 1.315 59.086 58.000 -0.382 0.000 1.450 44 F CB -0.181 38.084 39.000 -1.224 0.000 1.114 44 F HN 0.304 nan 8.300 nan 0.000 0.587 45 D N -0.006 120.576 120.400 0.303 0.000 2.219 45 D HA -0.121 4.712 4.640 0.322 0.000 0.205 45 D C 1.139 177.665 176.300 0.377 0.000 0.970 45 D CA 0.770 55.034 54.000 0.441 0.000 0.851 45 D CB -0.179 40.792 40.800 0.285 0.000 0.943 45 D HN 0.123 nan 8.370 nan 0.000 0.488 46 K N 0.960 121.473 120.400 0.188 0.000 2.379 46 K HA 0.323 4.836 4.320 0.322 0.000 0.284 46 K C 0.211 176.842 176.600 0.051 0.000 1.044 46 K CA -0.158 56.186 56.287 0.095 0.000 0.974 46 K CB 0.594 33.100 32.500 0.010 0.000 0.962 46 K HN 0.013 nan 8.250 nan 0.000 0.474 47 G N 2.239 111.052 108.800 0.022 0.000 2.389 47 G HA2 0.324 4.477 3.960 0.322 0.000 0.317 47 G HA3 0.324 4.477 3.960 0.322 0.000 0.317 47 G C -0.943 173.907 174.900 -0.084 0.000 1.137 47 G CA -0.424 44.639 45.100 -0.061 0.000 0.870 47 G HN 0.557 nan 8.290 nan 0.000 0.496 48 T N 1.782 116.276 114.554 -0.100 0.000 2.807 48 T HA 0.408 4.951 4.350 0.322 0.000 0.279 48 T C 0.324 174.976 174.700 -0.081 0.000 0.993 48 T CA -0.281 61.770 62.100 -0.082 0.000 0.970 48 T CB 1.240 70.065 68.868 -0.072 0.000 0.950 48 T HN 0.299 nan 8.240 nan 0.000 0.441 49 L N 3.643 124.831 121.223 -0.059 0.000 2.416 49 L HA 0.430 4.963 4.340 0.322 0.000 0.272 49 L C 1.223 178.093 176.870 0.001 0.000 1.161 49 L CA -0.324 54.507 54.840 -0.015 0.000 0.845 49 L CB 0.461 42.535 42.059 0.026 0.000 1.119 49 L HN 0.763 nan 8.230 nan 0.000 0.464 50 T N -3.013 111.556 114.554 0.026 0.000 2.926 50 T HA 0.262 4.805 4.350 0.322 0.000 0.289 50 T C 1.016 175.736 174.700 0.034 0.000 1.054 50 T CA -0.122 61.984 62.100 0.010 0.000 1.015 50 T CB 1.580 70.442 68.868 -0.010 0.000 1.167 50 T HN 0.669 nan 8.240 nan 0.000 0.526 51 T N -0.444 114.123 114.554 0.021 0.000 3.007 51 T HA 0.023 4.566 4.350 0.322 0.000 0.270 51 T C 1.679 176.403 174.700 0.040 0.000 1.107 51 T CA 0.664 62.783 62.100 0.033 0.000 1.118 51 T CB -0.634 68.254 68.868 0.033 0.000 0.889 51 T HN 0.531 nan 8.240 nan 0.000 0.506 52 L N 0.360 121.604 121.223 0.036 0.000 2.509 52 L HA 0.358 4.892 4.340 0.322 0.000 0.222 52 L C 2.182 179.071 176.870 0.032 0.000 1.123 52 L CA 0.490 55.342 54.840 0.021 0.000 0.856 52 L CB -0.527 41.532 42.059 -0.000 0.000 0.985 52 L HN 0.558 nan 8.230 nan 0.000 0.456 53 G N 0.179 109.023 108.800 0.073 0.000 2.157 53 G HA2 -0.242 3.912 3.960 0.322 0.000 0.248 53 G HA3 -0.242 3.912 3.960 0.322 0.000 0.248 53 G C 0.235 175.261 174.900 0.210 0.000 0.979 53 G CA 0.053 45.224 45.100 0.119 0.000 0.650 53 G HN 0.500 nan 8.290 nan 0.000 0.529 54 A N -0.213 122.705 122.820 0.164 0.000 2.317 54 A HA 0.827 5.340 4.320 0.322 0.000 0.327 54 A C 0.334 178.000 177.584 0.137 0.000 1.178 54 A CA -0.218 51.933 52.037 0.189 0.000 0.817 54 A CB 1.769 20.840 19.000 0.119 0.000 1.189 54 A HN 1.088 nan 8.150 nan 0.000 0.489 55 V N 1.430 121.421 119.914 0.129 0.000 2.686 55 V HA 0.492 4.805 4.120 0.322 0.000 0.295 55 V C 0.784 176.853 176.094 -0.041 0.000 1.055 55 V CA 0.402 62.691 62.300 -0.018 0.000 1.050 55 V CB 1.132 32.906 31.823 -0.083 0.000 0.984 55 V HN 1.124 nan 8.190 nan 0.000 0.482 56 A N 4.910 127.674 122.820 -0.093 0.000 2.342 56 A HA 0.899 5.413 4.320 0.322 0.000 0.323 56 A C -0.582 176.879 177.584 -0.205 0.000 1.125 56 A CA -0.466 51.492 52.037 -0.132 0.000 0.785 56 A CB 1.758 20.692 19.000 -0.110 0.000 1.221 56 A HN 1.311 nan 8.150 nan 0.000 0.463 57 V N -1.043 118.681 119.914 -0.317 0.000 3.102 57 V HA 0.824 5.137 4.120 0.322 0.000 0.312 57 V C -1.289 174.603 176.094 -0.337 0.000 1.135 57 V CA -0.979 61.055 62.300 -0.444 0.000 1.022 57 V CB 2.125 33.286 31.823 -1.103 0.000 1.056 57 V HN 0.716 nan 8.190 nan 0.000 0.436 58 D N 0.855 121.135 120.400 -0.199 0.000 2.350 58 D HA 0.639 5.472 4.640 0.322 0.000 0.238 58 D C 0.537 176.749 176.300 -0.146 0.000 0.989 58 D CA 0.310 54.258 54.000 -0.088 0.000 0.921 58 D CB 2.205 43.061 40.800 0.092 0.000 1.297 58 D HN 1.000 nan 8.370 nan 0.000 0.490 59 T N -2.227 112.182 114.554 -0.242 0.000 3.132 59 T HA 0.470 5.014 4.350 0.322 0.000 0.274 59 T C 1.019 175.267 174.700 -0.753 0.000 1.011 59 T CA 0.433 62.356 62.100 -0.295 0.000 0.899 59 T CB 0.129 69.088 68.868 0.152 0.000 1.089 59 T HN 0.661 nan 8.240 nan 0.000 0.543 60 G N 2.405 110.519 108.800 -1.144 0.000 2.547 60 G HA2 -0.302 3.852 3.960 0.322 0.000 0.271 60 G HA3 -0.302 3.852 3.960 0.322 0.000 0.271 60 G C 0.657 175.352 174.900 -0.342 0.000 1.209 60 G CA 0.027 44.537 45.100 -0.983 0.000 0.959 60 G HN 0.432 nan 8.290 nan 0.000 0.563 61 I N 0.123 120.547 120.570 -0.242 0.000 2.145 61 I HA -0.090 4.273 4.170 0.322 0.000 0.244 61 I C 1.285 177.174 176.117 -0.379 0.000 1.075 61 I CA 1.457 62.586 61.300 -0.285 0.000 1.332 61 I CB -0.268 37.530 38.000 -0.337 0.000 1.033 61 I HN 0.185 nan 8.210 nan 0.000 0.410 62 F N 0.820 120.744 119.950 -0.044 0.000 2.404 62 F HA 0.156 4.868 4.527 0.308 0.000 0.358 62 F C 1.160 176.946 175.800 -0.023 0.000 1.120 62 F CA -0.416 57.566 58.000 -0.029 0.000 1.144 62 F CB 0.821 39.841 39.000 0.033 0.000 1.133 62 F HN -0.105 nan 8.300 nan 0.000 0.495 63 T N -0.557 114.009 114.554 0.020 0.000 3.228 63 T HA 0.632 5.175 4.350 0.322 0.000 0.278 63 T C 0.282 174.743 174.700 -0.398 0.000 1.014 63 T CA -0.210 61.874 62.100 -0.027 0.000 0.904 63 T CB -0.131 68.724 68.868 -0.021 0.000 1.110 63 T HN 0.762 nan 8.240 nan 0.000 0.541 64 G N 0.436 108.766 108.800 -0.783 0.000 2.559 64 G HA2 0.536 4.689 3.960 0.322 0.000 0.291 64 G HA3 0.536 4.689 3.960 0.322 0.000 0.291 64 G C -1.312 173.133 174.900 -0.758 0.000 1.424 64 G CA -1.257 43.133 45.100 -1.183 0.000 0.786 64 G HN 0.273 nan 8.290 nan 0.000 0.485 65 R N -0.469 119.838 120.500 -0.322 0.000 2.738 65 R HA 0.437 4.970 4.340 0.322 0.000 0.268 65 R C -0.017 176.309 176.300 0.044 0.000 1.062 65 R CA 0.164 56.300 56.100 0.060 0.000 1.158 65 R CB 0.912 31.346 30.300 0.223 0.000 1.046 65 R HN 0.324 nan 8.270 nan 0.000 0.493 66 S N 2.187 117.906 115.700 0.032 0.000 2.269 66 S HA 0.232 4.895 4.470 0.322 0.000 0.194 66 S C -1.613 172.999 174.600 0.020 0.000 1.547 66 S CA -1.741 56.475 58.200 0.027 0.000 1.186 66 S CB 0.696 63.822 63.200 -0.123 0.000 1.069 66 S HN 0.457 nan 8.310 nan 0.000 0.473 67 P HA -0.132 nan 4.420 nan 0.000 0.218 67 P C 0.828 178.100 177.300 -0.046 0.000 1.148 67 P CA 1.048 64.144 63.100 -0.006 0.000 0.822 67 P CB 0.153 31.837 31.700 -0.027 0.000 0.784 68 K N -0.460 119.925 120.400 -0.024 0.000 2.362 68 K HA -0.068 4.445 4.320 0.322 0.000 0.200 68 K C 0.941 177.508 176.600 -0.056 0.000 1.046 68 K CA 0.868 57.132 56.287 -0.038 0.000 0.952 68 K CB -0.214 32.293 32.500 0.011 0.000 0.753 68 K HN 0.174 nan 8.250 nan 0.000 0.466 69 D N 0.828 121.215 120.400 -0.023 0.000 2.368 69 D HA -0.011 4.822 4.640 0.322 0.000 0.218 69 D C -0.074 176.247 176.300 0.034 0.000 1.112 69 D CA 0.234 54.273 54.000 0.065 0.000 0.834 69 D CB 0.359 41.191 40.800 0.052 0.000 0.953 69 D HN 0.085 nan 8.370 nan 0.000 0.505 70 K N 0.814 121.130 120.400 -0.141 0.000 2.234 70 K HA 0.255 4.768 4.320 0.322 0.000 0.282 70 K C -1.279 175.135 176.600 -0.311 0.000 1.039 70 K CA -0.199 56.076 56.287 -0.021 0.000 0.928 70 K CB 0.597 33.136 32.500 0.065 0.000 1.039 70 K HN -0.225 nan 8.250 nan 0.000 0.470 71 Y N 2.942 123.432 120.300 0.316 0.000 2.534 71 Y HA 0.464 5.206 4.550 0.319 0.000 0.345 71 Y C -0.369 175.776 175.900 0.409 0.000 1.031 71 Y CA -0.918 57.369 58.100 0.312 0.000 1.022 71 Y CB 1.802 40.418 38.460 0.260 0.000 1.292 71 Y HN 0.343 nan 8.280 nan 0.000 0.459 72 I N 2.379 123.267 120.570 0.531 0.000 2.498 72 I HA 0.370 4.733 4.170 0.322 0.000 0.290 72 I C -0.848 175.535 176.117 0.443 0.000 1.032 72 I CA -1.182 60.377 61.300 0.433 0.000 1.073 72 I CB 1.881 40.011 38.000 0.216 0.000 1.251 72 I HN 0.250 nan 8.210 nan 0.000 0.426 73 V N 4.822 124.872 119.914 0.226 0.000 2.585 73 V HA -0.082 4.232 4.120 0.322 0.000 0.296 73 V C 0.359 176.569 176.094 0.193 0.000 1.035 73 V CA -0.262 62.106 62.300 0.113 0.000 1.084 73 V CB 1.072 32.783 31.823 -0.185 0.000 0.953 73 V HN 0.867 nan 8.190 nan 0.000 0.483 74 C N 7.326 126.679 119.300 0.087 0.000 2.349 74 C HA 0.629 5.282 4.460 0.322 0.000 0.348 74 C C 0.022 175.023 174.990 0.018 0.000 1.223 74 C CA -0.275 58.741 59.018 -0.002 0.000 1.746 74 C CB -1.737 25.816 27.740 -0.312 0.000 2.360 74 C HN 1.098 nan 8.230 nan 0.000 0.533 75 D N 3.090 123.538 120.400 0.080 0.000 2.812 75 D HA 0.280 5.113 4.640 0.322 0.000 0.318 75 D C 0.569 176.913 176.300 0.074 0.000 1.234 75 D CA -0.468 53.559 54.000 0.044 0.000 0.989 75 D CB 0.344 41.150 40.800 0.009 0.000 1.442 75 D HN 0.229 nan 8.370 nan 0.000 0.537 76 E N -0.574 119.660 120.200 0.056 0.000 2.204 76 E HA -0.075 4.469 4.350 0.322 0.000 0.195 76 E C 1.574 178.229 176.600 0.093 0.000 0.990 76 E CA 1.364 57.804 56.400 0.068 0.000 0.821 76 E CB -0.472 29.259 29.700 0.051 0.000 0.750 76 E HN 0.572 nan 8.360 nan 0.000 0.477 77 T N 0.207 114.818 114.554 0.094 0.000 2.851 77 T HA -0.076 4.467 4.350 0.322 0.000 0.262 77 T C 2.022 176.813 174.700 0.151 0.000 1.043 77 T CA 1.839 64.011 62.100 0.120 0.000 1.140 77 T CB -0.154 68.778 68.868 0.106 0.000 0.872 77 T HN 0.385 nan 8.240 nan 0.000 0.446 78 T N 0.058 114.704 114.554 0.152 0.000 3.051 78 T HA 0.196 4.739 4.350 0.322 0.000 0.255 78 T C 1.790 176.743 174.700 0.421 0.000 1.085 78 T CA 0.475 62.702 62.100 0.213 0.000 1.109 78 T CB -0.047 68.956 68.868 0.225 0.000 0.921 78 T HN 0.283 nan 8.240 nan 0.000 0.488 79 K N 1.520 122.143 120.400 0.372 0.000 2.032 79 K HA -0.227 4.286 4.320 0.322 0.000 0.218 79 K C 1.044 177.900 176.600 0.427 0.000 1.054 79 K CA 2.315 58.831 56.287 0.382 0.000 0.941 79 K CB -0.274 32.328 32.500 0.170 0.000 0.720 79 K HN 0.301 nan 8.250 nan 0.000 0.449 80 D N -1.063 119.495 120.400 0.263 0.000 2.369 80 D HA 0.002 4.835 4.640 0.322 0.000 0.211 80 D C 1.182 177.577 176.300 0.159 0.000 1.077 80 D CA 0.847 54.968 54.000 0.201 0.000 0.842 80 D CB 0.989 41.867 40.800 0.130 0.000 0.947 80 D HN 0.512 nan 8.370 nan 0.000 0.509 81 T N -3.035 111.617 114.554 0.163 0.000 2.999 81 T HA 0.145 4.688 4.350 0.322 0.000 0.247 81 T C 0.978 175.715 174.700 0.062 0.000 1.012 81 T CA -0.073 62.095 62.100 0.114 0.000 1.048 81 T CB 0.274 69.251 68.868 0.182 0.000 1.020 81 T HN -0.213 nan 8.240 nan 0.000 0.478 82 V N 2.164 122.008 119.914 -0.116 0.000 2.649 82 V HA 0.264 4.577 4.120 0.322 0.000 0.292 82 V C -0.155 175.643 176.094 -0.492 0.000 1.055 82 V CA -0.996 61.020 62.300 -0.473 0.000 1.023 82 V CB 0.784 31.874 31.823 -1.222 0.000 0.992 82 V HN 0.634 nan 8.190 nan 0.000 0.480 83 W N 6.354 127.403 121.300 -0.418 0.000 1.836 83 W HA 0.346 5.199 4.660 0.322 0.000 0.449 83 W C -0.197 176.198 176.519 -0.206 0.000 0.787 83 W CA -2.006 55.217 57.345 -0.203 0.000 1.729 83 W CB -0.401 29.018 29.460 -0.069 0.000 1.802 83 W HN 0.584 nan 8.180 nan 0.000 0.257 84 W N 4.319 125.601 121.300 -0.030 0.000 2.170 84 W HA -0.039 4.813 4.660 0.320 0.000 0.342 84 W C 1.228 177.532 176.519 -0.358 0.000 1.294 84 W CA -0.443 56.807 57.345 -0.159 0.000 1.246 84 W CB 0.205 29.635 29.460 -0.049 0.000 1.156 84 W HN 0.270 nan 8.180 nan 0.000 0.572 85 N N 1.822 120.504 118.700 -0.030 0.000 2.407 85 N HA 0.162 5.095 4.740 0.322 0.000 0.250 85 N C -0.576 174.890 175.510 -0.073 0.000 1.236 85 N CA 0.643 53.587 53.050 -0.176 0.000 0.879 85 N CB 0.589 39.021 38.487 -0.093 0.000 1.088 85 N HN 0.435 nan 8.380 nan 0.000 0.450 86 S N 1.295 116.929 115.700 -0.109 0.000 2.615 86 S HA 0.327 4.990 4.470 0.322 0.000 0.269 86 S C 0.207 174.776 174.600 -0.051 0.000 1.161 86 S CA -0.803 57.372 58.200 -0.042 0.000 0.817 86 S CB 1.123 64.325 63.200 0.005 0.000 1.131 86 S HN 0.480 nan 8.310 nan 0.000 0.467 87 E N 0.590 120.773 120.200 -0.028 0.000 2.204 87 E HA 0.125 4.668 4.350 0.322 0.000 0.194 87 E C 1.340 177.918 176.600 -0.037 0.000 0.989 87 E CA 1.170 57.551 56.400 -0.032 0.000 0.824 87 E CB -0.637 29.051 29.700 -0.020 0.000 0.756 87 E HN 0.755 nan 8.360 nan 0.000 0.477 91 K N 1.847 122.152 120.400 -0.158 0.000 2.412 91 K HA 0.311 4.824 4.320 0.322 0.000 0.281 91 K C 0.053 176.503 176.600 -0.249 0.000 1.027 91 K CA 0.407 56.588 56.287 -0.176 0.000 0.989 91 K CB 0.691 33.124 32.500 -0.112 0.000 0.935 91 K HN 0.949 nan 8.250 nan 0.000 0.475 92 N N -0.194 118.316 118.700 -0.316 0.000 3.039 92 N HA 0.166 5.099 4.740 0.322 0.000 0.257 92 N C -0.685 174.670 175.510 -0.258 0.000 1.497 92 N CA -0.705 52.129 53.050 -0.360 0.000 0.861 92 N CB 0.529 38.577 38.487 -0.733 0.000 1.479 92 N HN 0.167 nan 8.380 nan 0.000 0.547 93 D N -1.009 119.258 120.400 -0.222 0.000 2.340 93 D HA 0.053 4.886 4.640 0.322 0.000 0.220 93 D C -0.468 175.748 176.300 -0.140 0.000 1.039 93 D CA 0.291 54.192 54.000 -0.164 0.000 0.866 93 D CB -0.361 40.360 40.800 -0.132 0.000 0.913 93 D HN 0.379 nan 8.370 nan 0.000 0.523 94 N N 2.020 120.627 118.700 -0.156 0.000 2.739 94 N HA 0.055 4.988 4.740 0.322 0.000 0.266 94 N C -0.149 175.456 175.510 0.158 0.000 1.168 94 N CA 0.241 53.257 53.050 -0.056 0.000 1.055 94 N CB 0.408 38.776 38.487 -0.198 0.000 1.393 94 N HN 0.120 nan 8.380 nan 0.000 0.514 95 K N 2.259 122.736 120.400 0.129 0.000 2.201 95 K HA 0.311 4.824 4.320 0.322 0.000 0.278 95 K C -2.231 174.620 176.600 0.418 0.000 1.027 95 K CA -1.600 54.802 56.287 0.192 0.000 0.909 95 K CB 1.330 33.801 32.500 -0.048 0.000 1.062 95 K HN 0.233 nan 8.250 nan 0.000 0.465 96 P HA 0.038 nan 4.420 nan 0.000 0.275 96 P C -0.989 176.396 177.300 0.142 0.000 1.227 96 P CA -0.148 62.941 63.100 -0.017 0.000 0.781 96 P CB 0.872 32.210 31.700 -0.602 0.000 0.906 97 M N 2.955 122.643 119.600 0.146 0.000 2.393 97 M HA 0.332 5.005 4.480 0.322 0.000 0.316 97 M C 0.021 176.344 176.300 0.038 0.000 1.087 97 M CA -0.448 54.907 55.300 0.091 0.000 0.937 97 M CB 2.197 34.893 32.600 0.161 0.000 1.668 97 M HN 0.349 nan 8.290 nan 0.000 0.438 98 T N 0.865 115.422 114.554 0.005 0.000 2.860 98 T HA 0.203 4.746 4.350 0.322 0.000 0.299 98 T C 0.653 175.393 174.700 0.066 0.000 1.045 98 T CA -0.328 61.775 62.100 0.005 0.000 1.071 98 T CB 0.998 69.856 68.868 -0.015 0.000 0.985 98 T HN 0.867 nan 8.240 nan 0.000 0.537 99 Q N 0.069 119.903 119.800 0.057 0.000 2.170 99 Q HA -0.153 4.380 4.340 0.322 0.000 0.203 99 Q C 2.270 178.352 176.000 0.138 0.000 0.976 99 Q CA 1.649 57.518 55.803 0.110 0.000 0.858 99 Q CB -0.090 28.684 28.738 0.060 0.000 0.907 99 Q HN 0.934 nan 8.270 nan 0.000 0.433 100 E N -0.048 120.189 120.200 0.063 0.000 2.047 100 E HA -0.165 4.378 4.350 0.322 0.000 0.191 100 E C 1.588 178.192 176.600 0.008 0.000 0.987 100 E CA 1.476 57.893 56.400 0.029 0.000 0.799 100 E CB 0.169 29.868 29.700 -0.002 0.000 0.752 100 E HN 0.205 nan 8.360 nan 0.000 0.449 101 T N 0.984 115.540 114.554 0.002 0.000 2.821 101 T HA -0.154 4.389 4.350 0.322 0.000 0.267 101 T C 1.180 175.847 174.700 -0.056 0.000 1.046 101 T CA 1.051 63.117 62.100 -0.056 0.000 1.139 101 T CB -0.401 68.416 68.868 -0.084 0.000 0.871 101 T HN 0.447 nan 8.240 nan 0.000 0.454 102 W N 2.676 123.912 121.300 -0.107 0.000 2.335 102 W HA -0.143 4.713 4.660 0.327 0.000 0.311 102 W C 2.099 178.565 176.519 -0.089 0.000 1.213 102 W CA 1.405 58.696 57.345 -0.090 0.000 1.274 102 W CB -0.372 29.067 29.460 -0.035 0.000 1.148 102 W HN 0.203 nan 8.180 nan 0.000 0.498 103 K N 0.549 120.918 120.400 -0.052 0.000 2.063 103 K HA -0.183 4.331 4.320 0.322 0.000 0.208 103 K C 2.257 178.710 176.600 -0.245 0.000 1.048 103 K CA 2.256 58.459 56.287 -0.139 0.000 0.928 103 K CB -0.361 32.144 32.500 0.009 0.000 0.713 103 K HN -0.034 nan 8.250 nan 0.000 0.442 104 S N 1.124 116.701 115.700 -0.204 0.000 2.368 104 S HA -0.101 4.563 4.470 0.322 0.000 0.225 104 S C 1.839 176.254 174.600 -0.308 0.000 1.030 104 S CA 1.220 59.294 58.200 -0.211 0.000 0.999 104 S CB -0.190 62.906 63.200 -0.173 0.000 0.844 104 S HN 0.266 nan 8.310 nan 0.000 0.459 105 L N 0.818 121.774 121.223 -0.446 0.000 2.109 105 L HA -0.010 4.523 4.340 0.322 0.000 0.207 105 L C 2.710 179.264 176.870 -0.526 0.000 1.086 105 L CA 1.056 55.545 54.840 -0.586 0.000 0.760 105 L CB -0.424 41.155 42.059 -0.801 0.000 0.910 105 L HN 0.245 nan 8.230 nan 0.000 0.437 106 R N 0.669 120.745 120.500 -0.707 0.000 2.092 106 R HA -0.172 4.361 4.340 0.322 0.000 0.231 106 R C 2.040 178.153 176.300 -0.312 0.000 1.119 106 R CA 1.488 57.226 56.100 -0.603 0.000 0.970 106 R CB -0.024 29.838 30.300 -0.729 0.000 0.864 106 R HN 0.407 nan 8.270 nan 0.000 0.440 107 E N 0.309 120.350 120.200 -0.265 0.000 2.106 107 E HA -0.200 4.343 4.350 0.322 0.000 0.192 107 E C 1.934 178.456 176.600 -0.132 0.000 0.984 107 E CA 0.963 57.266 56.400 -0.162 0.000 0.806 107 E CB -0.064 29.556 29.700 -0.134 0.000 0.750 107 E HN 0.198 nan 8.360 nan 0.000 0.458 108 L N 0.598 121.731 121.223 -0.150 0.000 2.027 108 L HA -0.147 4.386 4.340 0.322 0.000 0.206 108 L C 2.209 179.050 176.870 -0.048 0.000 1.074 108 L CA 1.347 56.133 54.840 -0.089 0.000 0.745 108 L CB -0.256 41.744 42.059 -0.098 0.000 0.898 108 L HN -0.058 nan 8.230 nan 0.000 0.433 109 V N -0.115 119.768 119.914 -0.052 0.000 2.358 109 V HA -0.248 4.066 4.120 0.322 0.000 0.246 109 V C 2.762 178.816 176.094 -0.067 0.000 1.047 109 V CA 1.469 63.749 62.300 -0.034 0.000 1.035 109 V CB -1.347 30.457 31.823 -0.031 0.000 0.658 109 V HN 0.575 nan 8.190 nan 0.000 0.452 110 A N 0.088 122.855 122.820 -0.087 0.000 1.940 110 A HA -0.269 4.244 4.320 0.322 0.000 0.219 110 A C 2.228 179.775 177.584 -0.062 0.000 1.176 110 A CA 2.304 54.295 52.037 -0.077 0.000 0.631 110 A CB -0.461 18.490 19.000 -0.082 0.000 0.814 110 A HN 0.461 nan 8.150 nan 0.000 0.446 111 K N -0.279 120.086 120.400 -0.057 0.000 2.057 111 K HA -0.155 4.358 4.320 0.322 0.000 0.206 111 K C 2.162 178.740 176.600 -0.036 0.000 1.050 111 K CA 1.791 58.052 56.287 -0.044 0.000 0.935 111 K CB -0.329 32.148 32.500 -0.039 0.000 0.715 111 K HN 0.408 nan 8.250 nan 0.000 0.439 112 Q N 0.346 120.124 119.800 -0.036 0.000 2.170 112 Q HA -0.026 4.507 4.340 0.322 0.000 0.203 112 Q C 1.128 177.100 176.000 -0.046 0.000 0.976 112 Q CA 1.595 57.378 55.803 -0.035 0.000 0.858 112 Q CB -0.043 28.670 28.738 -0.041 0.000 0.907 112 Q HN 0.445 nan 8.270 nan 0.000 0.433 113 L N 0.223 121.413 121.223 -0.056 0.000 2.685 113 L HA 0.286 4.819 4.340 0.322 0.000 0.233 113 L C 0.025 176.861 176.870 -0.056 0.000 1.173 113 L CA -0.404 54.400 54.840 -0.060 0.000 0.961 113 L CB 0.301 42.317 42.059 -0.071 0.000 1.217 113 L HN -0.063 nan 8.230 nan 0.000 0.478 114 S N -0.246 115.425 115.700 -0.048 0.000 2.617 114 S HA 0.544 5.208 4.470 0.322 0.000 0.283 114 S C 1.034 175.611 174.600 -0.039 0.000 1.189 114 S CA 0.087 58.260 58.200 -0.045 0.000 1.036 114 S CB 1.595 64.770 63.200 -0.041 0.000 1.014 114 S HN 0.476 nan 8.310 nan 0.000 0.522 115 G N 1.776 110.552 108.800 -0.040 0.000 2.198 115 G HA2 -0.230 3.923 3.960 0.322 0.000 0.260 115 G HA3 -0.230 3.923 3.960 0.322 0.000 0.260 115 G C -0.131 174.748 174.900 -0.035 0.000 1.025 115 G CA 0.812 45.892 45.100 -0.034 0.000 0.769 115 G HN 0.741 nan 8.290 nan 0.000 0.507 116 K N -1.765 118.607 120.400 -0.047 0.000 2.499 116 K HA 0.666 5.179 4.320 0.322 0.000 0.277 116 K C -0.340 176.211 176.600 -0.081 0.000 1.025 116 K CA -1.275 54.983 56.287 -0.049 0.000 0.900 116 K CB 1.388 33.868 32.500 -0.032 0.000 1.494 116 K HN 0.149 nan 8.250 nan 0.000 0.442 117 R N 1.113 121.556 120.500 -0.095 0.000 2.389 117 R HA 0.353 4.886 4.340 0.322 0.000 0.295 117 R C -0.731 175.424 176.300 -0.242 0.000 1.075 117 R CA -0.237 55.757 56.100 -0.176 0.000 1.005 117 R CB 0.340 30.534 30.300 -0.176 0.000 0.987 117 R HN 0.545 nan 8.270 nan 0.000 0.452 118 L N 4.387 125.417 121.223 -0.322 0.000 2.323 118 L HA 0.553 5.086 4.340 0.322 0.000 0.265 118 L C -0.955 175.609 176.870 -0.510 0.000 1.012 118 L CA -1.007 53.656 54.840 -0.296 0.000 0.820 118 L CB 1.660 43.620 42.059 -0.165 0.000 1.334 118 L HN 0.540 nan 8.230 nan 0.000 0.427 119 F N 0.822 120.747 119.950 -0.042 0.000 2.458 119 F HA 0.607 5.321 4.527 0.311 0.000 0.336 119 F C -0.149 175.635 175.800 -0.027 0.000 1.114 119 F CA -0.802 57.187 58.000 -0.018 0.000 0.987 119 F CB 2.012 41.007 39.000 -0.009 0.000 1.130 119 F HN -0.081 nan 8.300 nan 0.000 0.458 120 V N 4.116 124.115 119.914 0.141 0.000 2.531 120 V HA 0.604 4.917 4.120 0.322 0.000 0.301 120 V C -0.854 175.334 176.094 0.156 0.000 1.034 120 V CA -0.766 61.592 62.300 0.097 0.000 0.865 120 V CB 2.048 33.856 31.823 -0.024 0.000 0.995 120 V HN 0.519 nan 8.190 nan 0.000 0.424 121 V N 4.374 124.326 119.914 0.064 0.000 2.588 121 V HA 0.526 4.840 4.120 0.322 0.000 0.304 121 V C -0.455 175.558 176.094 -0.134 0.000 1.042 121 V CA -0.681 61.607 62.300 -0.020 0.000 0.877 121 V CB 2.185 34.001 31.823 -0.010 0.000 0.996 121 V HN 0.945 nan 8.190 nan 0.000 0.425 122 E N 2.363 122.374 120.200 -0.316 0.000 2.171 122 E HA 0.765 5.308 4.350 0.322 0.000 0.271 122 E C 0.011 176.249 176.600 -0.603 0.000 0.916 122 E CA -0.447 55.555 56.400 -0.663 0.000 0.774 122 E CB 2.457 31.329 29.700 -1.381 0.000 1.128 122 E HN 0.890 nan 8.360 nan 0.000 0.403 123 G N 1.443 109.991 108.800 -0.421 0.000 2.687 123 G HA2 0.436 4.589 3.960 0.322 0.000 0.291 123 G HA3 0.436 4.589 3.960 0.322 0.000 0.291 123 G C -1.904 172.935 174.900 -0.101 0.000 1.420 123 G CA -0.545 44.429 45.100 -0.210 0.000 0.796 123 G HN 0.281 nan 8.290 nan 0.000 0.485 124 Y N -0.891 119.584 120.300 0.292 0.000 2.409 124 Y HA 0.561 5.305 4.550 0.324 0.000 0.339 124 Y C 0.288 176.401 175.900 0.356 0.000 1.033 124 Y CA -1.103 57.169 58.100 0.286 0.000 1.094 124 Y CB 2.204 40.798 38.460 0.224 0.000 1.210 124 Y HN 0.551 nan 8.280 nan 0.000 0.456 125 C N 3.300 122.899 119.300 0.498 0.000 2.239 125 C HA 0.817 5.470 4.460 0.322 0.000 0.323 125 C C 0.167 175.314 174.990 0.263 0.000 1.205 125 C CA 0.217 59.505 59.018 0.449 0.000 1.584 125 C CB -1.523 26.453 27.740 0.394 0.000 2.201 125 C HN 1.076 nan 8.230 nan 0.000 0.475 126 G N 4.503 113.513 108.800 0.350 0.000 3.363 126 G HA2 0.342 4.495 3.960 0.322 0.000 0.685 126 G HA3 0.342 4.495 3.960 0.322 0.000 0.685 126 G C 0.103 175.184 174.900 0.301 0.000 1.199 126 G CA -0.169 45.204 45.100 0.455 0.000 0.946 126 G HN 1.612 nan 8.290 nan 0.000 0.558 127 A N 1.568 124.619 122.820 0.386 0.000 2.218 127 A HA 0.618 5.131 4.320 0.322 0.000 0.209 127 A C 1.709 179.256 177.584 -0.063 0.000 1.168 127 A CA 1.553 53.696 52.037 0.178 0.000 0.804 127 A CB 0.020 19.175 19.000 0.258 0.000 0.834 127 A HN 2.187 nan 8.150 nan 0.000 0.482 128 S N 0.591 116.042 115.700 -0.415 0.000 2.510 128 S HA 0.110 4.773 4.470 0.322 0.000 0.279 128 S C 1.251 175.619 174.600 -0.387 0.000 1.284 128 S CA 0.251 58.062 58.200 -0.648 0.000 1.059 128 S CB 0.523 62.850 63.200 -1.455 0.000 0.901 128 S HN 0.625 nan 8.310 nan 0.000 0.491 129 E N 4.232 124.264 120.200 -0.280 0.000 2.110 129 E HA -0.168 4.375 4.350 0.322 0.000 0.193 129 E C 1.828 178.254 176.600 -0.289 0.000 0.988 129 E CA 1.465 57.714 56.400 -0.253 0.000 0.804 129 E CB -0.390 29.206 29.700 -0.172 0.000 0.745 129 E HN 0.667 nan 8.360 nan 0.000 0.458 130 K N 0.907 121.100 120.400 -0.346 0.000 2.262 130 K HA 0.027 4.540 4.320 0.322 0.000 0.200 130 K C 1.644 177.872 176.600 -0.620 0.000 1.049 130 K CA 1.127 57.126 56.287 -0.480 0.000 0.979 130 K CB -0.577 31.577 32.500 -0.576 0.000 0.773 130 K HN 0.354 nan 8.250 nan 0.000 0.474 131 H N 0.315 119.276 119.070 -0.181 0.000 2.652 131 H HA 0.131 4.880 4.556 0.322 0.000 0.274 131 H C 0.311 175.597 175.328 -0.070 0.000 1.021 131 H CA -0.287 55.709 56.048 -0.087 0.000 1.187 131 H CB 0.249 30.021 29.762 0.017 0.000 1.505 131 H HN 0.549 nan 8.280 nan 0.000 0.530 132 R N 0.976 121.428 120.500 -0.080 0.000 2.694 132 R HA 0.315 4.848 4.340 0.322 0.000 0.268 132 R C -0.445 175.875 176.300 0.032 0.000 1.061 132 R CA 0.001 56.092 56.100 -0.015 0.000 1.133 132 R CB 0.857 31.087 30.300 -0.117 0.000 1.020 132 R HN -0.056 nan 8.270 nan 0.000 0.475 133 I N 1.417 122.055 120.570 0.114 0.000 2.378 133 I HA 0.251 4.615 4.170 0.322 0.000 0.291 133 I C 0.435 176.693 176.117 0.235 0.000 0.992 133 I CA -0.917 60.448 61.300 0.108 0.000 1.154 133 I CB 2.022 40.060 38.000 0.063 0.000 1.315 133 I HN 0.863 nan 8.210 nan 0.000 0.448 134 G N 6.159 115.049 108.800 0.151 0.000 2.351 134 G HA2 0.447 4.600 3.960 0.322 0.000 0.287 134 G HA3 0.447 4.600 3.960 0.322 0.000 0.287 134 G C -0.463 174.543 174.900 0.177 0.000 1.159 134 G CA -0.164 44.967 45.100 0.051 0.000 0.929 134 G HN 0.350 nan 8.290 nan 0.000 0.435 135 V N 3.605 123.666 119.914 0.246 0.000 2.398 135 V HA 0.508 4.821 4.120 0.322 0.000 0.286 135 V C 0.377 176.536 176.094 0.107 0.000 1.026 135 V CA -0.868 61.492 62.300 0.100 0.000 0.868 135 V CB 1.483 33.144 31.823 -0.270 0.000 0.982 135 V HN 0.810 nan 8.190 nan 0.000 0.443 136 R N 5.242 125.812 120.500 0.118 0.000 2.393 136 R HA 0.600 5.133 4.340 0.322 0.000 0.315 136 R C -0.991 175.315 176.300 0.011 0.000 0.952 136 R CA -0.621 55.514 56.100 0.059 0.000 0.842 136 R CB 1.327 31.708 30.300 0.135 0.000 1.163 136 R HN 0.668 nan 8.270 nan 0.000 0.450 137 M N 5.401 124.985 119.600 -0.027 0.000 2.364 137 M HA 0.355 5.028 4.480 0.322 0.000 0.334 137 M C -1.582 174.715 176.300 -0.005 0.000 1.107 137 M CA -0.785 54.505 55.300 -0.017 0.000 0.988 137 M CB 1.860 34.445 32.600 -0.025 0.000 1.673 137 M HN 0.419 nan 8.290 nan 0.000 0.441 138 V N 3.610 123.514 119.914 -0.017 0.000 2.448 138 V HA 0.704 5.018 4.120 0.322 0.000 0.295 138 V C -0.094 175.978 176.094 -0.037 0.000 1.025 138 V CA -0.464 61.822 62.300 -0.022 0.000 0.859 138 V CB 1.712 33.510 31.823 -0.043 0.000 0.988 138 V HN 0.973 nan 8.190 nan 0.000 0.431 139 T N 1.940 116.493 114.554 -0.000 0.000 2.843 139 T HA 0.398 4.941 4.350 0.322 0.000 0.302 139 T C 0.205 174.949 174.700 0.073 0.000 1.232 139 T CA -0.133 61.948 62.100 -0.032 0.000 1.009 139 T CB 2.204 71.020 68.868 -0.086 0.000 1.254 139 T HN 0.899 nan 8.240 nan 0.000 0.504 140 E N 1.005 121.217 120.200 0.020 0.000 2.501 140 E HA 0.376 4.919 4.350 0.322 0.000 0.201 140 E C -0.406 176.317 176.600 0.205 0.000 1.016 140 E CA -0.257 56.216 56.400 0.121 0.000 0.920 140 E CB 0.578 30.289 29.700 0.018 0.000 1.023 140 E HN 0.220 nan 8.360 nan 0.000 0.474 141 V N 1.676 121.601 119.914 0.019 0.000 2.407 141 V HA 0.363 4.676 4.120 0.322 0.000 0.291 141 V C 1.054 176.858 176.094 -0.484 0.000 1.018 141 V CA -0.178 62.014 62.300 -0.180 0.000 0.842 141 V CB 1.266 32.866 31.823 -0.370 0.000 0.996 141 V HN 0.303 nan 8.190 nan 0.000 0.426 142 A N 6.149 128.480 122.820 -0.816 0.000 1.917 142 A HA -0.165 4.348 4.320 0.322 0.000 0.219 142 A C 1.823 179.227 177.584 -0.301 0.000 1.182 142 A CA 2.269 53.633 52.037 -1.121 0.000 0.633 142 A CB -0.490 18.007 19.000 -0.838 0.000 0.819 142 A HN 1.071 nan 8.150 nan 0.000 0.448 143 W N -0.157 121.072 121.300 -0.118 0.000 2.425 143 W HA -0.146 4.697 4.660 0.307 0.000 0.277 143 W C 1.468 178.040 176.519 0.088 0.000 1.231 143 W CA 0.961 58.340 57.345 0.057 0.000 1.248 143 W CB -0.708 28.806 29.460 0.090 0.000 1.117 143 W HN 0.445 nan 8.180 nan 0.000 0.568 144 Q N 1.157 120.794 119.800 -0.272 0.000 2.119 144 Q HA -0.088 4.445 4.340 0.322 0.000 0.201 144 Q C 2.772 178.796 176.000 0.041 0.000 0.972 144 Q CA 1.918 57.567 55.803 -0.256 0.000 0.847 144 Q CB -0.381 28.015 28.738 -0.570 0.000 0.903 144 Q HN 0.360 nan 8.270 nan 0.000 0.433 145 A N 0.404 123.219 122.820 -0.008 0.000 1.930 145 A HA -0.234 4.279 4.320 0.322 0.000 0.217 145 A C 1.758 179.448 177.584 0.178 0.000 1.175 145 A CA 1.583 53.659 52.037 0.066 0.000 0.627 145 A CB -0.835 18.178 19.000 0.023 0.000 0.815 145 A HN 0.511 nan 8.150 nan 0.000 0.443 146 H N -2.405 116.727 119.070 0.104 0.000 2.353 146 H HA -0.186 4.562 4.556 0.319 0.000 0.300 146 H C 1.911 177.367 175.328 0.214 0.000 1.090 146 H CA 1.582 57.728 56.048 0.164 0.000 1.327 146 H CB -0.190 29.713 29.762 0.235 0.000 1.383 146 H HN 0.506 nan 8.280 nan 0.000 0.508 147 F N 0.739 120.802 119.950 0.188 0.000 2.126 147 F HA -0.219 4.505 4.527 0.328 0.000 0.299 147 F C 2.231 178.089 175.800 0.096 0.000 1.096 147 F CA 1.456 59.495 58.000 0.065 0.000 1.255 147 F CB -0.457 38.594 39.000 0.085 0.000 0.997 147 F HN -0.006 nan 8.300 nan 0.000 0.479 148 V N 0.546 120.652 119.914 0.321 0.000 2.427 148 V HA -0.281 4.032 4.120 0.322 0.000 0.248 148 V C 2.424 178.651 176.094 0.223 0.000 1.051 148 V CA 2.118 64.618 62.300 0.333 0.000 1.048 148 V CB -0.678 31.295 31.823 0.251 0.000 0.666 148 V HN 0.313 nan 8.190 nan 0.000 0.456 149 K N 0.087 120.568 120.400 0.136 0.000 2.147 149 K HA -0.203 4.310 4.320 0.322 0.000 0.205 149 K C 1.963 178.629 176.600 0.110 0.000 1.049 149 K CA 1.629 57.950 56.287 0.057 0.000 0.936 149 K CB -0.069 32.372 32.500 -0.099 0.000 0.722 149 K HN 0.417 nan 8.250 nan 0.000 0.446 150 N N 0.139 118.902 118.700 0.104 0.000 2.135 150 N HA -0.068 4.865 4.740 0.322 0.000 0.186 150 N C 1.528 176.926 175.510 -0.186 0.000 1.027 150 N CA 1.167 54.219 53.050 0.003 0.000 0.849 150 N CB -0.029 38.360 38.487 -0.163 0.000 1.002 150 N HN 0.181 nan 8.380 nan 0.000 0.425 151 M N -0.569 118.816 119.600 -0.359 0.000 2.506 151 M HA 0.154 4.827 4.480 0.322 0.000 0.260 151 M C -0.122 175.838 176.300 -0.566 0.000 1.104 151 M CA 0.381 55.346 55.300 -0.559 0.000 1.112 151 M CB -0.569 31.485 32.600 -0.909 0.000 1.401 151 M HN -0.109 nan 8.290 nan 0.000 0.473 152 F N -0.456 119.456 119.950 -0.063 0.000 2.557 152 F HA 0.491 5.210 4.527 0.319 0.000 0.336 152 F C 0.605 176.443 175.800 0.063 0.000 1.058 152 F CA -1.211 56.805 58.000 0.027 0.000 0.988 152 F CB 0.782 39.810 39.000 0.047 0.000 1.275 152 F HN -0.255 nan 8.300 nan 0.000 0.488 153 I N 2.083 122.846 120.570 0.322 0.000 2.533 153 I HA 0.137 4.500 4.170 0.322 0.000 0.284 153 I C 0.041 176.303 176.117 0.241 0.000 1.109 153 I CA -0.046 61.418 61.300 0.273 0.000 1.412 153 I CB 0.381 38.577 38.000 0.327 0.000 1.396 153 I HN 0.361 nan 8.210 nan 0.000 0.543 154 R N 7.315 127.927 120.500 0.187 0.000 2.242 154 R HA 0.278 4.811 4.340 0.322 0.000 0.334 154 R C -2.257 174.118 176.300 0.125 0.000 1.071 154 R CA -1.540 54.629 56.100 0.114 0.000 0.922 154 R CB -0.032 30.340 30.300 0.120 0.000 1.023 154 R HN 0.334 nan 8.270 nan 0.000 0.458 155 P HA -0.002 nan 4.420 nan 0.000 0.272 155 P C -0.060 177.289 177.300 0.082 0.000 1.223 155 P CA -0.338 62.851 63.100 0.148 0.000 0.784 155 P CB 0.678 32.428 31.700 0.083 0.000 0.923 156 T N -1.870 112.750 114.554 0.109 0.000 2.766 156 T HA 0.086 4.629 4.350 0.322 0.000 0.295 156 T C 0.860 175.580 174.700 0.034 0.000 1.024 156 T CA -0.376 61.760 62.100 0.061 0.000 1.018 156 T CB 0.375 69.281 68.868 0.063 0.000 1.002 156 T HN 0.254 nan 8.240 nan 0.000 0.532 157 D N 0.957 121.364 120.400 0.011 0.000 2.144 157 D HA -0.049 4.785 4.640 0.322 0.000 0.199 157 D C 2.545 178.853 176.300 0.014 0.000 0.984 157 D CA 1.787 55.782 54.000 -0.008 0.000 0.834 157 D CB -0.653 40.139 40.800 -0.013 0.000 0.955 157 D HN 0.904 nan 8.370 nan 0.000 0.465 158 E N 1.550 121.768 120.200 0.031 0.000 2.051 158 E HA -0.231 4.312 4.350 0.322 0.000 0.192 158 E C 1.907 178.550 176.600 0.072 0.000 0.991 158 E CA 1.484 57.910 56.400 0.042 0.000 0.799 158 E CB -0.942 28.781 29.700 0.039 0.000 0.748 158 E HN 0.483 nan 8.360 nan 0.000 0.449 159 E N -0.059 120.204 120.200 0.105 0.000 2.153 159 E HA -0.072 4.471 4.350 0.322 0.000 0.194 159 E C 2.292 179.019 176.600 0.211 0.000 0.988 159 E CA 1.009 57.521 56.400 0.186 0.000 0.811 159 E CB -0.199 29.671 29.700 0.283 0.000 0.746 159 E HN 0.491 nan 8.360 nan 0.000 0.466 160 L N 0.626 121.916 121.223 0.113 0.000 2.141 160 L HA -0.181 4.352 4.340 0.322 0.000 0.209 160 L C 2.862 179.782 176.870 0.082 0.000 1.094 160 L CA 1.397 56.269 54.840 0.053 0.000 0.763 160 L CB -0.592 41.402 42.059 -0.109 0.000 0.908 160 L HN 0.146 nan 8.230 nan 0.000 0.437 161 K N 0.036 120.475 120.400 0.066 0.000 2.147 161 K HA -0.151 4.362 4.320 0.322 0.000 0.205 161 K C 1.461 178.116 176.600 0.093 0.000 1.049 161 K CA 2.002 58.326 56.287 0.062 0.000 0.936 161 K CB -0.735 31.791 32.500 0.043 0.000 0.722 161 K HN 0.384 nan 8.250 nan 0.000 0.446 162 N N -1.139 117.633 118.700 0.119 0.000 2.238 162 N HA 0.242 5.175 4.740 0.322 0.000 0.222 162 N C -0.688 174.908 175.510 0.143 0.000 1.133 162 N CA -0.582 52.533 53.050 0.108 0.000 0.854 162 N CB -0.036 38.496 38.487 0.076 0.000 1.041 162 N HN 0.441 nan 8.380 nan 0.000 0.510 163 F N 2.285 122.267 119.950 0.054 0.000 2.578 163 F HA 0.305 5.026 4.527 0.323 0.000 0.376 163 F C 0.632 176.462 175.800 0.051 0.000 1.085 163 F CA -0.174 57.858 58.000 0.054 0.000 1.260 163 F CB 0.238 39.224 39.000 -0.024 0.000 1.095 163 F HN -0.108 nan 8.300 nan 0.000 0.573 164 K N 5.135 125.131 120.400 -0.673 0.000 2.358 164 K HA 0.792 5.305 4.320 0.322 0.000 0.260 164 K C -0.651 175.574 176.600 -0.625 0.000 0.956 164 K CA -0.361 55.679 56.287 -0.411 0.000 0.834 164 K CB 1.069 33.430 32.500 -0.232 0.000 1.102 164 K HN 1.042 nan 8.250 nan 0.000 0.431 165 A N 2.612 125.326 122.820 -0.177 0.000 2.539 165 A HA 0.325 4.838 4.320 0.322 0.000 0.306 165 A C 0.326 177.899 177.584 -0.018 0.000 1.392 165 A CA -0.328 51.715 52.037 0.011 0.000 1.060 165 A CB -0.261 18.855 19.000 0.192 0.000 1.134 165 A HN 0.798 nan 8.150 nan 0.000 0.542 166 D N 0.920 121.301 120.400 -0.031 0.000 2.224 166 D HA 0.022 4.855 4.640 0.322 0.000 0.205 166 D C -0.431 175.941 176.300 0.120 0.000 0.965 166 D CA 1.510 55.517 54.000 0.011 0.000 0.852 166 D CB 0.184 40.981 40.800 -0.006 0.000 0.947 166 D HN 0.526 nan 8.370 nan 0.000 0.494 167 F N 0.049 120.009 119.950 0.017 0.000 2.581 167 F HA 0.248 4.967 4.527 0.320 0.000 0.311 167 F C -0.674 175.166 175.800 0.067 0.000 1.113 167 F CA -0.540 57.499 58.000 0.065 0.000 0.935 167 F CB 2.300 41.358 39.000 0.096 0.000 1.232 167 F HN -0.459 nan 8.300 nan 0.000 0.445 168 T N 4.384 118.920 114.554 -0.031 0.000 2.824 168 T HA 0.564 5.107 4.350 0.322 0.000 0.282 168 T C -1.126 173.630 174.700 0.093 0.000 0.993 168 T CA -0.575 61.553 62.100 0.046 0.000 0.967 168 T CB 1.638 70.501 68.868 -0.008 0.000 0.960 168 T HN 0.256 nan 8.240 nan 0.000 0.441 169 V N 4.996 124.976 119.914 0.110 0.000 2.347 169 V HA 0.415 4.728 4.120 0.322 0.000 0.280 169 V C -0.239 175.864 176.094 0.015 0.000 1.021 169 V CA -0.746 61.613 62.300 0.099 0.000 0.847 169 V CB 1.094 32.971 31.823 0.089 0.000 0.990 169 V HN 0.724 nan 8.190 nan 0.000 0.444 170 L N 4.979 126.196 121.223 -0.010 0.000 2.264 170 L HA 0.464 4.997 4.340 0.322 0.000 0.287 170 L C 0.291 177.099 176.870 -0.104 0.000 1.039 170 L CA -0.237 54.570 54.840 -0.055 0.000 0.829 170 L CB 0.935 42.960 42.059 -0.056 0.000 1.211 170 L HN 0.555 nan 8.230 nan 0.000 0.427 171 N N 2.827 121.444 118.700 -0.137 0.000 2.437 171 N HA 0.184 5.117 4.740 0.322 0.000 0.243 171 N C 0.319 175.666 175.510 -0.271 0.000 1.041 171 N CA -0.060 52.855 53.050 -0.224 0.000 0.940 171 N CB 1.708 40.043 38.487 -0.254 0.000 1.133 171 N HN 0.727 nan 8.380 nan 0.000 0.506 172 G N 2.084 110.706 108.800 -0.297 0.000 4.486 172 G HA2 0.328 4.481 3.960 0.322 0.000 0.306 172 G HA3 0.328 4.481 3.960 0.322 0.000 0.306 172 G C 1.144 175.802 174.900 -0.405 0.000 1.331 172 G CA 0.051 44.977 45.100 -0.290 0.000 1.113 172 G HN 0.628 nan 8.290 nan 0.000 0.594 173 A N 1.233 123.698 122.820 -0.592 0.000 1.958 173 A HA -0.125 4.388 4.320 0.322 0.000 0.221 173 A C 2.195 179.455 177.584 -0.540 0.000 1.178 173 A CA 1.561 53.130 52.037 -0.780 0.000 0.642 173 A CB -0.174 17.909 19.000 -1.529 0.000 0.816 173 A HN 0.427 nan 8.150 nan 0.000 0.453 174 K N -1.530 118.625 120.400 -0.408 0.000 2.439 174 K HA -0.016 4.497 4.320 0.322 0.000 0.197 174 K C 0.574 177.181 176.600 0.011 0.000 1.041 174 K CA 0.397 56.662 56.287 -0.037 0.000 0.970 174 K CB -0.431 32.081 32.500 0.020 0.000 0.773 174 K HN 0.520 nan 8.250 nan 0.000 0.479 175 C N 2.297 121.557 119.300 -0.066 0.000 2.330 175 C HA 0.401 5.054 4.460 0.322 0.000 0.344 175 C C 0.450 175.468 174.990 0.045 0.000 1.273 175 C CA -0.442 58.581 59.018 0.009 0.000 1.879 175 C CB -0.009 27.738 27.740 0.012 0.000 2.376 175 C HN 0.435 nan 8.230 nan 0.000 0.534 176 T N 2.383 117.015 114.554 0.129 0.000 2.916 176 T HA 0.469 5.012 4.350 0.322 0.000 0.292 176 T C -0.793 174.055 174.700 0.247 0.000 1.055 176 T CA -0.627 61.589 62.100 0.194 0.000 1.009 176 T CB 1.424 70.384 68.868 0.153 0.000 1.118 176 T HN 0.726 nan 8.240 nan 0.000 0.497 177 N N 2.246 121.124 118.700 0.298 0.000 2.558 177 N HA 0.378 5.311 4.740 0.322 0.000 0.242 177 N C -1.691 173.991 175.510 0.288 0.000 0.979 177 N CA -2.531 50.646 53.050 0.212 0.000 0.931 177 N CB 1.425 39.967 38.487 0.091 0.000 1.122 177 N HN 0.350 nan 8.380 nan 0.000 0.508 178 P HA 0.016 nan 4.420 nan 0.000 0.242 178 P C -0.209 177.165 177.300 0.122 0.000 1.197 178 P CA 0.543 63.786 63.100 0.238 0.000 0.765 178 P CB 0.417 32.196 31.700 0.133 0.000 0.936 179 N N -0.077 118.675 118.700 0.086 0.000 2.336 179 N HA -0.025 4.908 4.740 0.322 0.000 0.189 179 N C 1.676 177.173 175.510 -0.023 0.000 1.113 179 N CA 0.039 53.075 53.050 -0.022 0.000 0.858 179 N CB -0.596 37.867 38.487 -0.040 0.000 0.970 179 N HN 0.454 nan 8.380 nan 0.000 0.471 180 W N 1.999 123.279 121.300 -0.033 0.000 2.321 180 W HA -0.158 4.696 4.660 0.323 0.000 0.306 180 W C 1.052 177.560 176.519 -0.018 0.000 1.217 180 W CA 0.577 57.904 57.345 -0.030 0.000 1.257 180 W CB -0.834 28.640 29.460 0.024 0.000 1.145 180 W HN -0.017 nan 8.180 nan 0.000 0.509 181 K N 0.727 120.640 120.400 -0.813 0.000 2.026 181 K HA -0.192 4.321 4.320 0.322 0.000 0.208 181 K C 1.857 178.277 176.600 -0.301 0.000 1.048 181 K CA 2.312 58.148 56.287 -0.752 0.000 0.929 181 K CB -0.271 31.647 32.500 -0.969 0.000 0.713 181 K HN -0.023 nan 8.250 nan 0.000 0.439 182 E N 0.904 120.953 120.200 -0.251 0.000 2.204 182 E HA -0.154 4.389 4.350 0.322 0.000 0.195 182 E C 1.559 178.102 176.600 -0.095 0.000 0.990 182 E CA 1.109 57.420 56.400 -0.147 0.000 0.821 182 E CB 0.009 29.632 29.700 -0.129 0.000 0.750 182 E HN 0.309 nan 8.360 nan 0.000 0.477 183 Q N -0.913 118.842 119.800 -0.076 0.000 2.403 183 Q HA 0.174 4.707 4.340 0.322 0.000 0.203 183 Q C 0.680 176.661 176.000 -0.031 0.000 0.932 183 Q CA 0.405 56.174 55.803 -0.056 0.000 0.945 183 Q CB 0.601 29.299 28.738 -0.067 0.000 1.045 183 Q HN 0.341 nan 8.270 nan 0.000 0.511 184 G N 0.970 109.771 108.800 0.001 0.000 2.176 184 G HA2 -0.265 3.888 3.960 0.322 0.000 0.252 184 G HA3 -0.265 3.888 3.960 0.322 0.000 0.252 184 G C -0.023 174.956 174.900 0.131 0.000 1.024 184 G CA 0.028 45.159 45.100 0.052 0.000 0.755 184 G HN 0.219 nan 8.290 nan 0.000 0.507 185 L N -1.289 120.055 121.223 0.201 0.000 2.472 185 L HA 0.442 4.975 4.340 0.322 0.000 0.256 185 L C 1.743 178.893 176.870 0.468 0.000 1.111 185 L CA -0.287 54.711 54.840 0.263 0.000 0.800 185 L CB 0.452 42.581 42.059 0.116 0.000 1.286 185 L HN 0.138 nan 8.230 nan 0.000 0.479 186 N N -1.029 117.911 118.700 0.400 0.000 2.250 186 N HA -0.086 4.848 4.740 0.322 0.000 0.181 186 N C 0.160 175.560 175.510 -0.183 0.000 1.017 186 N CA 0.886 54.068 53.050 0.219 0.000 0.866 186 N CB 0.447 39.039 38.487 0.175 0.000 0.985 186 N HN 0.716 nan 8.380 nan 0.000 0.429 187 S N -1.757 113.667 115.700 -0.460 0.000 2.724 187 S HA 0.120 4.784 4.470 0.322 0.000 0.278 187 S C 0.120 174.059 174.600 -1.101 0.000 1.190 187 S CA -0.467 56.952 58.200 -1.302 0.000 0.860 187 S CB 0.361 63.222 63.200 -0.564 0.000 1.206 187 S HN 0.294 nan 8.310 nan 0.000 0.507 188 E N 0.504 120.089 120.200 -1.024 0.000 2.511 188 E HA 0.053 4.596 4.350 0.322 0.000 0.196 188 E C 0.031 176.672 176.600 0.067 0.000 1.066 188 E CA 0.103 56.322 56.400 -0.302 0.000 0.871 188 E CB -0.337 29.331 29.700 -0.053 0.000 0.863 188 E HN 0.452 nan 8.360 nan 0.000 0.520 189 N N 0.981 119.694 118.700 0.021 0.000 2.476 189 N HA 0.431 5.364 4.740 0.322 0.000 0.276 189 N C -0.650 174.994 175.510 0.224 0.000 1.204 189 N CA -0.356 52.723 53.050 0.049 0.000 0.974 189 N CB 1.096 39.546 38.487 -0.062 0.000 1.204 189 N HN 0.089 nan 8.380 nan 0.000 0.543 190 F N -3.065 116.848 119.950 -0.062 0.000 2.690 190 F HA 0.495 5.219 4.527 0.328 0.000 0.311 190 F C -1.566 174.218 175.800 -0.026 0.000 1.111 190 F CA -1.110 56.901 58.000 0.018 0.000 1.003 190 F CB 0.690 39.705 39.000 0.025 0.000 1.283 190 F HN 0.032 nan 8.300 nan 0.000 0.442 191 V N 2.442 122.460 119.914 0.173 0.000 2.439 191 V HA 0.830 5.143 4.120 0.322 0.000 0.277 191 V C -0.370 175.782 176.094 0.098 0.000 1.008 191 V CA -0.390 61.919 62.300 0.014 0.000 0.846 191 V CB 0.880 32.727 31.823 0.040 0.000 1.031 191 V HN 1.242 nan 8.190 nan 0.000 0.441 192 A N 4.666 127.499 122.820 0.022 0.000 2.365 192 A HA 0.997 5.510 4.320 0.322 0.000 0.318 192 A C -1.286 176.256 177.584 -0.070 0.000 1.091 192 A CA -0.399 51.760 52.037 0.204 0.000 0.763 192 A CB 1.258 20.558 19.000 0.500 0.000 1.248 192 A HN 0.559 nan 8.150 nan 0.000 0.442 193 F N 1.593 121.777 119.950 0.390 0.000 2.529 193 F HA 0.452 5.174 4.527 0.326 0.000 0.320 193 F C 0.274 175.993 175.800 -0.135 0.000 1.118 193 F CA -0.772 57.370 58.000 0.236 0.000 0.915 193 F CB 2.114 41.244 39.000 0.217 0.000 1.161 193 F HN 0.557 nan 8.300 nan 0.000 0.445 194 N N 4.039 122.546 118.700 -0.320 0.000 2.518 194 N HA 0.331 5.264 4.740 0.322 0.000 0.254 194 N C 0.590 175.975 175.510 -0.208 0.000 0.979 194 N CA -0.137 52.511 53.050 -0.670 0.000 0.930 194 N CB 0.981 38.480 38.487 -1.647 0.000 1.152 194 N HN 0.719 nan 8.380 nan 0.000 0.505 195 I N 1.514 122.037 120.570 -0.078 0.000 2.394 195 I HA -0.201 4.162 4.170 0.322 0.000 0.251 195 I C 1.727 177.910 176.117 0.110 0.000 1.136 195 I CA 0.966 62.304 61.300 0.064 0.000 1.425 195 I CB 0.081 37.927 38.000 -0.257 0.000 1.079 195 I HN 0.469 nan 8.210 nan 0.000 0.425 196 T N 0.221 114.765 114.554 -0.017 0.000 2.737 196 T HA -0.144 4.399 4.350 0.322 0.000 0.265 196 T C 1.643 176.333 174.700 -0.016 0.000 1.038 196 T CA 1.285 63.393 62.100 0.012 0.000 1.144 196 T CB -0.179 68.673 68.868 -0.027 0.000 0.866 196 T HN 0.424 nan 8.240 nan 0.000 0.434 197 E N 0.349 120.488 120.200 -0.102 0.000 2.371 197 E HA 0.245 4.788 4.350 0.322 0.000 0.194 197 E C 1.181 177.682 176.600 -0.165 0.000 1.012 197 E CA 0.164 56.510 56.400 -0.089 0.000 0.860 197 E CB 0.084 29.755 29.700 -0.048 0.000 0.811 197 E HN 0.485 nan 8.360 nan 0.000 0.502 198 G N 2.005 110.642 108.800 -0.271 0.000 2.326 198 G HA2 -0.259 3.894 3.960 0.322 0.000 0.286 198 G HA3 -0.259 3.894 3.960 0.322 0.000 0.286 198 G C -0.176 173.994 174.900 -1.217 0.000 1.096 198 G CA 0.113 44.763 45.100 -0.749 0.000 1.003 198 G HN 0.183 nan 8.290 nan 0.000 0.503 199 I N -0.692 119.399 120.570 -0.799 0.000 2.686 199 I HA 0.461 4.824 4.170 0.322 0.000 0.295 199 I C -0.057 176.140 176.117 0.134 0.000 1.114 199 I CA -0.854 60.275 61.300 -0.285 0.000 1.038 199 I CB 2.352 40.460 38.000 0.179 0.000 1.238 199 I HN 0.257 nan 8.210 nan 0.000 0.420 200 Q N 6.388 126.344 119.800 0.260 0.000 2.333 200 Q HA 0.660 5.194 4.340 0.322 0.000 0.267 200 Q C -1.995 174.046 176.000 0.069 0.000 1.012 200 Q CA -0.682 55.225 55.803 0.174 0.000 0.824 200 Q CB 2.040 30.921 28.738 0.239 0.000 1.290 200 Q HN 0.616 nan 8.270 nan 0.000 0.449 201 L N 4.872 126.106 121.223 0.018 0.000 2.329 201 L HA 0.590 5.123 4.340 0.322 0.000 0.279 201 L C -0.521 176.281 176.870 -0.113 0.000 1.014 201 L CA -0.831 54.004 54.840 -0.009 0.000 0.814 201 L CB 1.701 43.791 42.059 0.052 0.000 1.257 201 L HN 0.634 nan 8.230 nan 0.000 0.424 202 I N 1.921 122.354 120.570 -0.228 0.000 2.418 202 I HA 0.538 4.902 4.170 0.322 0.000 0.287 202 I C 0.090 175.803 176.117 -0.674 0.000 1.008 202 I CA -0.283 60.778 61.300 -0.399 0.000 1.104 202 I CB 2.000 39.817 38.000 -0.306 0.000 1.264 202 I HN 0.652 nan 8.210 nan 0.000 0.438 203 G N 2.735 110.813 108.800 -1.203 0.000 2.643 203 G HA2 0.529 4.682 3.960 0.322 0.000 0.305 203 G HA3 0.529 4.682 3.960 0.322 0.000 0.305 203 G C 0.495 174.908 174.900 -0.812 0.000 1.387 203 G CA 0.019 44.304 45.100 -1.359 0.000 0.982 203 G HN 0.939 nan 8.290 nan 0.000 0.501 204 G N 0.746 109.293 108.800 -0.421 0.000 2.320 204 G HA2 -0.189 3.964 3.960 0.322 0.000 0.242 204 G HA3 -0.189 3.964 3.960 0.322 0.000 0.242 204 G C 0.773 175.668 174.900 -0.008 0.000 1.033 204 G CA 1.131 46.150 45.100 -0.135 0.000 0.620 204 G HN 1.684 nan 8.290 nan 0.000 0.517 205 T N -1.049 113.355 114.554 -0.249 0.000 2.823 205 T HA 0.535 5.078 4.350 0.322 0.000 0.279 205 T C 0.326 175.021 174.700 -0.009 0.000 0.998 205 T CA -0.068 61.958 62.100 -0.124 0.000 0.994 205 T CB 0.826 69.313 68.868 -0.636 0.000 0.960 205 T HN 0.319 nan 8.240 nan 0.000 0.448 206 W N 3.104 124.422 121.300 0.031 0.000 3.239 206 W HA 0.313 5.019 4.660 0.076 0.000 0.348 206 W C -0.005 176.604 176.519 0.150 0.000 1.183 206 W CA -0.883 56.487 57.345 0.042 0.000 1.819 206 W CB -0.347 29.164 29.460 0.086 0.000 1.091 206 W HN 0.684 nan 8.180 nan 0.000 0.629 207 Y N 1.427 121.855 120.300 0.213 0.000 2.632 207 Y HA 0.256 4.996 4.550 0.316 0.000 0.329 207 Y C 1.616 177.522 175.900 0.010 0.000 1.174 207 Y CA 0.446 58.641 58.100 0.158 0.000 1.469 207 Y CB 0.860 39.408 38.460 0.147 0.000 1.242 207 Y HN 0.062 nan 8.280 nan 0.000 0.540 208 G N 4.094 112.521 108.800 -0.622 0.000 2.442 208 G HA2 -0.292 3.861 3.960 0.322 0.000 0.219 208 G HA3 -0.292 3.861 3.960 0.322 0.000 0.219 208 G C 1.676 175.807 174.900 -1.282 0.000 1.141 208 G CA 0.685 45.061 45.100 -1.206 0.000 0.763 208 G HN 0.975 nan 8.290 nan 0.000 0.554 209 G N 0.649 108.773 108.800 -1.127 0.000 2.485 209 G HA2 -0.178 3.975 3.960 0.322 0.000 0.221 209 G HA3 -0.178 3.975 3.960 0.322 0.000 0.221 209 G C 1.588 176.499 174.900 0.019 0.000 1.115 209 G CA 1.087 46.007 45.100 -0.301 0.000 0.751 209 G HN 0.416 nan 8.290 nan 0.000 0.567 210 E N 0.188 120.410 120.200 0.038 0.000 2.153 210 E HA -0.084 4.459 4.350 0.322 0.000 0.194 210 E C 2.570 179.251 176.600 0.136 0.000 0.988 210 E CA 0.747 57.231 56.400 0.140 0.000 0.811 210 E CB -0.257 29.486 29.700 0.071 0.000 0.746 210 E HN 0.538 nan 8.360 nan 0.000 0.466 211 M N 0.278 119.900 119.600 0.037 0.000 2.193 211 M HA -0.085 4.588 4.480 0.322 0.000 0.265 211 M C 2.444 178.975 176.300 0.384 0.000 1.071 211 M CA 1.139 56.555 55.300 0.193 0.000 1.140 211 M CB -0.322 32.373 32.600 0.158 0.000 1.369 211 M HN -0.058 nan 8.290 nan 0.000 0.423 212 K N 0.813 121.404 120.400 0.318 0.000 2.025 212 K HA -0.150 4.363 4.320 0.322 0.000 0.207 212 K C 1.829 178.534 176.600 0.175 0.000 1.049 212 K CA 1.243 57.648 56.287 0.197 0.000 0.933 212 K CB 0.095 32.614 32.500 0.031 0.000 0.714 212 K HN 0.045 nan 8.250 nan 0.000 0.438 213 K N 0.146 120.640 120.400 0.157 0.000 2.366 213 K HA 0.003 4.516 4.320 0.322 0.000 0.198 213 K C 2.074 178.824 176.600 0.249 0.000 1.044 213 K CA 0.970 57.330 56.287 0.122 0.000 0.973 213 K CB -0.132 32.426 32.500 0.097 0.000 0.767 213 K HN 0.423 nan 8.250 nan 0.000 0.475 214 G N 1.304 110.312 108.800 0.347 0.000 2.421 214 G HA2 -0.217 3.936 3.960 0.322 0.000 0.216 214 G HA3 -0.217 3.936 3.960 0.322 0.000 0.216 214 G C 1.486 176.539 174.900 0.254 0.000 1.171 214 G CA 0.416 45.797 45.100 0.469 0.000 0.775 214 G HN 0.108 nan 8.290 nan 0.000 0.543 215 M N -0.214 119.565 119.600 0.298 0.000 2.229 215 M HA 0.142 4.815 4.480 0.322 0.000 0.264 215 M C 2.231 178.654 176.300 0.205 0.000 1.063 215 M CA 0.340 55.755 55.300 0.193 0.000 1.114 215 M CB -1.124 31.721 32.600 0.409 0.000 1.387 215 M HN 0.260 nan 8.290 nan 0.000 0.420 216 F N 1.329 121.322 119.950 0.072 0.000 2.102 216 F HA -0.160 4.559 4.527 0.321 0.000 0.298 216 F C 2.403 178.238 175.800 0.059 0.000 1.105 216 F CA 1.408 59.449 58.000 0.068 0.000 1.239 216 F CB -0.656 38.282 39.000 -0.102 0.000 0.991 216 F HN 0.095 nan 8.300 nan 0.000 0.474 217 S N 0.102 115.770 115.700 -0.053 0.000 2.399 217 S HA -0.187 4.476 4.470 0.322 0.000 0.231 217 S C 2.036 176.521 174.600 -0.193 0.000 1.022 217 S CA 1.429 59.516 58.200 -0.189 0.000 0.983 217 S CB -0.232 62.809 63.200 -0.266 0.000 0.803 217 S HN 0.301 nan 8.310 nan 0.000 0.480 218 M N 0.449 119.941 119.600 -0.180 0.000 2.236 218 M HA 0.130 4.803 4.480 0.322 0.000 0.266 218 M C 1.968 178.322 176.300 0.089 0.000 1.070 218 M CA 1.093 56.314 55.300 -0.132 0.000 1.137 218 M CB -1.056 31.329 32.600 -0.357 0.000 1.378 218 M HN 0.301 nan 8.290 nan 0.000 0.426 219 M N 0.386 120.027 119.600 0.068 0.000 2.159 219 M HA -0.157 4.516 4.480 0.322 0.000 0.263 219 M C 1.469 177.872 176.300 0.171 0.000 1.063 219 M CA 1.271 56.628 55.300 0.094 0.000 1.110 219 M CB -1.637 30.863 32.600 -0.166 0.000 1.374 219 M HN 0.257 nan 8.290 nan 0.000 0.411 220 N N -0.456 118.301 118.700 0.096 0.000 2.519 220 N HA -0.155 4.778 4.740 0.322 0.000 0.186 220 N C 1.442 177.067 175.510 0.192 0.000 1.062 220 N CA 0.831 53.991 53.050 0.183 0.000 0.910 220 N CB -0.235 38.232 38.487 -0.033 0.000 0.958 220 N HN 0.480 nan 8.380 nan 0.000 0.445 221 Y N -0.343 119.906 120.300 -0.085 0.000 2.239 221 Y HA 0.091 4.835 4.550 0.323 0.000 0.293 221 Y C 1.696 177.442 175.900 -0.257 0.000 1.126 221 Y CA 0.872 58.816 58.100 -0.261 0.000 1.128 221 Y CB -0.457 37.691 38.460 -0.520 0.000 1.066 221 Y HN -0.198 nan 8.280 nan 0.000 0.516 222 F N -0.111 119.873 119.950 0.057 0.000 2.146 222 F HA -0.149 4.571 4.527 0.321 0.000 0.298 222 F C 2.006 177.780 175.800 -0.043 0.000 1.096 222 F CA 1.045 59.036 58.000 -0.015 0.000 1.275 222 F CB -0.995 38.082 39.000 0.128 0.000 1.008 222 F HN 0.086 nan 8.300 nan 0.000 0.480 223 L N 0.040 121.382 121.223 0.199 0.000 1.994 223 L HA -0.117 4.417 4.340 0.322 0.000 0.208 223 L C -0.405 176.485 176.870 0.033 0.000 1.071 223 L CA 2.145 57.072 54.840 0.144 0.000 0.745 223 L CB -2.220 39.988 42.059 0.249 0.000 0.892 223 L HN -0.019 nan 8.230 nan 0.000 0.431 224 P HA -0.134 nan 4.420 nan 0.000 0.220 224 P C 1.934 179.144 177.300 -0.150 0.000 1.148 224 P CA 1.151 64.182 63.100 -0.116 0.000 0.803 224 P CB 0.015 31.544 31.700 -0.284 0.000 0.782 225 L N -0.975 120.137 121.223 -0.186 0.000 2.362 225 L HA -0.096 4.437 4.340 0.322 0.000 0.219 225 L C 1.623 178.447 176.870 -0.075 0.000 1.134 225 L CA 1.316 56.053 54.840 -0.173 0.000 0.807 225 L CB -0.562 41.339 42.059 -0.263 0.000 0.927 225 L HN -0.002 nan 8.230 nan 0.000 0.447 226 K N -0.263 120.115 120.400 -0.036 0.000 2.399 226 K HA 0.239 4.752 4.320 0.322 0.000 0.204 226 K C 1.004 177.587 176.600 -0.028 0.000 1.023 226 K CA 0.476 56.764 56.287 0.002 0.000 1.127 226 K CB 0.849 33.383 32.500 0.058 0.000 0.856 226 K HN 0.241 nan 8.250 nan 0.000 0.514 227 G N 1.352 110.120 108.800 -0.052 0.000 2.147 227 G HA2 -0.227 3.926 3.960 0.322 0.000 0.244 227 G HA3 -0.227 3.926 3.960 0.322 0.000 0.244 227 G C -0.039 174.822 174.900 -0.064 0.000 1.005 227 G CA -0.019 45.045 45.100 -0.060 0.000 0.713 227 G HN 0.143 nan 8.290 nan 0.000 0.515 228 V N 0.779 120.659 119.914 -0.057 0.000 2.398 228 V HA 0.768 5.081 4.120 0.322 0.000 0.286 228 V C 0.883 177.038 176.094 0.103 0.000 1.026 228 V CA -0.420 61.874 62.300 -0.009 0.000 0.868 228 V CB 1.470 33.223 31.823 -0.116 0.000 0.982 228 V HN 1.059 nan 8.190 nan 0.000 0.443 229 A N 3.848 126.759 122.820 0.151 0.000 2.407 229 A HA 0.584 5.097 4.320 0.322 0.000 0.248 229 A C 0.348 178.138 177.584 0.343 0.000 1.082 229 A CA 0.079 52.260 52.037 0.239 0.000 0.785 229 A CB 0.584 19.744 19.000 0.266 0.000 1.020 229 A HN 0.793 nan 8.150 nan 0.000 0.489 230 S N 1.543 117.502 115.700 0.431 0.000 2.647 230 S HA 0.718 5.381 4.470 0.322 0.000 0.300 230 S C -0.672 174.224 174.600 0.492 0.000 1.129 230 S CA -0.569 57.940 58.200 0.515 0.000 1.029 230 S CB 0.097 63.640 63.200 0.573 0.000 1.007 230 S HN 0.609 nan 8.310 nan 0.000 0.484 231 M N 3.883 123.723 119.600 0.401 0.000 2.501 231 M HA 0.347 5.020 4.480 0.322 0.000 0.293 231 M C -0.755 175.857 176.300 0.520 0.000 1.192 231 M CA -0.643 54.971 55.300 0.523 0.000 0.886 231 M CB 2.370 35.255 32.600 0.475 0.000 1.710 231 M HN 0.684 nan 8.290 nan 0.000 0.457 232 H N 2.742 122.126 119.070 0.523 0.000 2.818 232 H HA 0.525 5.275 4.556 0.322 0.000 0.269 232 H C -1.285 174.057 175.328 0.023 0.000 1.277 232 H CA -0.559 55.699 56.048 0.348 0.000 1.290 232 H CB 0.418 30.504 29.762 0.541 0.000 1.479 232 H HN 0.901 nan 8.280 nan 0.000 0.507 233 C N 1.977 121.140 119.300 -0.229 0.000 3.320 233 C HA 0.655 5.308 4.460 0.322 0.000 0.335 233 C C -0.112 174.704 174.990 -0.290 0.000 1.430 233 C CA -0.848 57.833 59.018 -0.561 0.000 1.271 233 C CB 1.315 28.295 27.740 -1.267 0.000 1.609 233 C HN 0.697 nan 8.230 nan 0.000 0.457 234 S N 0.991 116.502 115.700 -0.315 0.000 2.722 234 S HA 0.943 5.606 4.470 0.322 0.000 0.292 234 S C -0.422 173.951 174.600 -0.377 0.000 1.135 234 S CA 0.127 58.188 58.200 -0.231 0.000 1.003 234 S CB 1.579 64.659 63.200 -0.201 0.000 1.067 234 S HN 2.612 nan 8.310 nan 0.000 0.546 235 A N 1.463 124.036 122.820 -0.412 0.000 2.547 235 A HA 0.747 5.261 4.320 0.322 0.000 0.297 235 A C -1.132 176.349 177.584 -0.171 0.000 1.056 235 A CA -0.937 50.880 52.037 -0.367 0.000 0.688 235 A CB 1.106 19.641 19.000 -0.775 0.000 1.282 235 A HN 1.165 nan 8.150 nan 0.000 0.400 236 N N -0.290 118.378 118.700 -0.053 0.000 2.647 236 N HA 0.727 5.660 4.740 0.322 0.000 0.266 236 N C -1.691 173.802 175.510 -0.027 0.000 1.373 236 N CA -0.717 52.315 53.050 -0.031 0.000 0.807 236 N CB 1.911 40.386 38.487 -0.019 0.000 1.513 236 N HN 1.123 nan 8.380 nan 0.000 0.505 237 V N -0.836 119.065 119.914 -0.022 0.000 2.841 237 V HA 0.885 5.198 4.120 0.322 0.000 0.310 237 V C 0.275 176.362 176.094 -0.011 0.000 1.090 237 V CA -0.338 61.948 62.300 -0.024 0.000 0.930 237 V CB 1.327 33.132 31.823 -0.029 0.000 1.014 237 V HN 1.039 nan 8.190 nan 0.000 0.425 238 G N 3.076 111.870 108.800 -0.010 0.000 2.547 238 G HA2 0.290 4.443 3.960 0.322 0.000 0.291 238 G HA3 0.290 4.443 3.960 0.322 0.000 0.291 238 G C 0.447 175.344 174.900 -0.004 0.000 1.211 238 G CA 0.056 45.153 45.100 -0.006 0.000 0.950 238 G HN 0.982 nan 8.290 nan 0.000 0.504 239 K N -0.832 119.566 120.400 -0.003 0.000 2.152 239 K HA -0.117 4.396 4.320 0.322 0.000 0.206 239 K C 0.812 177.413 176.600 0.001 0.000 1.048 239 K CA 1.644 57.931 56.287 -0.002 0.000 0.933 239 K CB 0.032 32.531 32.500 -0.002 0.000 0.721 239 K HN 0.385 nan 8.250 nan 0.000 0.447 240 D N -0.799 119.601 120.400 0.001 0.000 2.319 240 D HA 0.081 4.915 4.640 0.322 0.000 0.230 240 D C 0.801 177.105 176.300 0.006 0.000 1.094 240 D CA 0.838 54.840 54.000 0.004 0.000 0.856 240 D CB 0.658 41.461 40.800 0.004 0.000 0.915 240 D HN 0.525 nan 8.370 nan 0.000 0.517 241 G N 1.935 110.736 108.800 0.002 0.000 2.176 241 G HA2 -0.258 3.895 3.960 0.322 0.000 0.253 241 G HA3 -0.258 3.895 3.960 0.322 0.000 0.253 241 G C -0.051 174.846 174.900 -0.005 0.000 0.979 241 G CA 0.101 45.202 45.100 0.002 0.000 0.641 241 G HN 0.430 nan 8.290 nan 0.000 0.530 242 D N 0.755 121.151 120.400 -0.006 0.000 2.371 242 D HA 0.362 5.195 4.640 0.322 0.000 0.256 242 D C 0.318 176.595 176.300 -0.038 0.000 1.193 242 D CA -0.200 53.791 54.000 -0.014 0.000 0.881 242 D CB 1.907 42.701 40.800 -0.010 0.000 1.143 242 D HN 0.158 nan 8.370 nan 0.000 0.473 243 V N 1.330 121.203 119.914 -0.068 0.000 2.472 243 V HA 0.639 4.952 4.120 0.322 0.000 0.290 243 V C 0.436 176.433 176.094 -0.161 0.000 1.037 243 V CA -0.714 61.512 62.300 -0.124 0.000 0.908 243 V CB 1.157 32.864 31.823 -0.193 0.000 0.985 243 V HN 0.899 nan 8.190 nan 0.000 0.454 244 A N 5.963 128.690 122.820 -0.155 0.000 2.401 244 A HA 0.954 5.468 4.320 0.322 0.000 0.310 244 A C -0.759 176.664 177.584 -0.267 0.000 1.075 244 A CA -0.670 51.224 52.037 -0.239 0.000 0.746 244 A CB 1.486 20.330 19.000 -0.260 0.000 1.277 244 A HN 0.954 nan 8.150 nan 0.000 0.425 245 I N -1.723 118.624 120.570 -0.372 0.000 2.569 245 I HA 0.843 5.207 4.170 0.322 0.000 0.296 245 I C -1.702 174.208 176.117 -0.345 0.000 1.028 245 I CA -0.733 60.388 61.300 -0.298 0.000 1.082 245 I CB 1.851 39.672 38.000 -0.298 0.000 1.264 245 I HN 0.385 nan 8.210 nan 0.000 0.429 246 F N 4.880 124.654 119.950 -0.293 0.000 2.493 246 F HA 0.632 5.352 4.527 0.322 0.000 0.329 246 F C -0.688 174.887 175.800 -0.375 0.000 1.126 246 F CA -0.592 57.302 58.000 -0.178 0.000 0.937 246 F CB 1.741 40.650 39.000 -0.152 0.000 1.146 246 F HN 0.278 nan 8.300 nan 0.000 0.442 247 F N 1.167 121.089 119.950 -0.047 0.000 2.508 247 F HA 0.826 5.546 4.527 0.322 0.000 0.325 247 F C 0.369 175.895 175.800 -0.457 0.000 1.090 247 F CA -1.137 56.583 58.000 -0.467 0.000 0.945 247 F CB 2.321 40.644 39.000 -1.128 0.000 1.156 247 F HN 0.581 nan 8.300 nan 0.000 0.463 248 G N 3.012 111.740 108.800 -0.118 0.000 2.387 248 G HA2 0.378 4.531 3.960 0.322 0.000 0.309 248 G HA3 0.378 4.531 3.960 0.322 0.000 0.309 248 G C -1.499 173.526 174.900 0.208 0.000 1.641 248 G CA -0.996 44.209 45.100 0.176 0.000 0.904 248 G HN 0.598 nan 8.290 nan 0.000 0.661 249 L N 0.859 122.256 121.223 0.289 0.000 2.479 249 L HA 0.411 4.944 4.340 0.322 0.000 0.248 249 L C 1.296 178.224 176.870 0.097 0.000 1.205 249 L CA -0.683 54.265 54.840 0.181 0.000 0.817 249 L CB 0.570 42.712 42.059 0.138 0.000 1.162 249 L HN 0.533 nan 8.230 nan 0.000 0.486 250 S N 0.274 116.018 115.700 0.073 0.000 2.552 250 S HA 0.216 4.879 4.470 0.322 0.000 0.289 250 S C 0.947 175.570 174.600 0.039 0.000 1.304 250 S CA 0.550 58.777 58.200 0.045 0.000 1.063 250 S CB 0.607 63.833 63.200 0.044 0.000 0.848 250 S HN 1.007 nan 8.310 nan 0.000 0.499 251 G N 1.907 110.723 108.800 0.027 0.000 2.176 251 G HA2 -0.315 3.839 3.960 0.322 0.000 0.253 251 G HA3 -0.315 3.839 3.960 0.322 0.000 0.253 251 G C 0.751 175.665 174.900 0.022 0.000 0.979 251 G CA 0.670 45.787 45.100 0.027 0.000 0.641 251 G HN 0.963 nan 8.290 nan 0.000 0.530 252 T N -2.029 112.545 114.554 0.033 0.000 3.081 252 T HA 0.437 4.980 4.350 0.322 0.000 0.250 252 T C 2.252 176.964 174.700 0.020 0.000 1.100 252 T CA 1.500 63.627 62.100 0.044 0.000 1.038 252 T CB 0.367 69.295 68.868 0.099 0.000 0.962 252 T HN 2.195 nan 8.240 nan 0.000 0.516 253 G N 1.738 110.534 108.800 -0.006 0.000 2.132 253 G HA2 -0.296 3.857 3.960 0.322 0.000 0.228 253 G HA3 -0.296 3.857 3.960 0.322 0.000 0.228 253 G C 0.632 175.504 174.900 -0.046 0.000 1.000 253 G CA 0.500 45.581 45.100 -0.032 0.000 0.693 253 G HN 0.587 nan 8.290 nan 0.000 0.515 254 K N -0.282 120.097 120.400 -0.036 0.000 2.009 254 K HA -0.127 4.386 4.320 0.322 0.000 0.210 254 K C 2.578 179.069 176.600 -0.182 0.000 1.049 254 K CA 2.147 58.388 56.287 -0.078 0.000 0.929 254 K CB -0.359 32.107 32.500 -0.055 0.000 0.714 254 K HN 0.369 nan 8.250 nan 0.000 0.440 255 T N 0.415 114.884 114.554 -0.141 0.000 2.684 255 T HA -0.130 4.413 4.350 0.322 0.000 0.267 255 T C 1.830 176.426 174.700 -0.173 0.000 1.036 255 T CA 2.036 64.043 62.100 -0.155 0.000 1.148 255 T CB -0.470 68.336 68.868 -0.103 0.000 0.863 255 T HN 0.383 nan 8.240 nan 0.000 0.436 256 T N 2.398 116.870 114.554 -0.138 0.000 2.737 256 T HA 0.078 4.621 4.350 0.322 0.000 0.265 256 T C 1.967 176.568 174.700 -0.166 0.000 1.038 256 T CA 0.852 62.875 62.100 -0.128 0.000 1.144 256 T CB -0.426 68.386 68.868 -0.093 0.000 0.866 256 T HN 0.257 nan 8.240 nan 0.000 0.434 257 L N 0.983 122.093 121.223 -0.188 0.000 2.376 257 L HA 0.017 4.550 4.340 0.322 0.000 0.219 257 L C 2.435 179.015 176.870 -0.484 0.000 1.133 257 L CA 0.663 55.377 54.840 -0.211 0.000 0.816 257 L CB -0.387 41.624 42.059 -0.080 0.000 0.933 257 L HN 0.207 nan 8.230 nan 0.000 0.449 258 S N -1.556 113.745 115.700 -0.666 0.000 2.527 258 S HA 0.006 4.670 4.470 0.322 0.000 0.222 258 S C 0.857 175.195 174.600 -0.436 0.000 0.985 258 S CA 0.277 57.933 58.200 -0.906 0.000 0.921 258 S CB 0.022 62.764 63.200 -0.763 0.000 0.772 258 S HN 0.306 nan 8.310 nan 0.000 0.529 259 T N 3.167 117.549 114.554 -0.286 0.000 2.744 259 T HA 0.413 4.956 4.350 0.322 0.000 0.291 259 T C -0.815 173.807 174.700 -0.129 0.000 0.957 259 T CA -0.410 61.587 62.100 -0.171 0.000 1.002 259 T CB 0.877 69.667 68.868 -0.130 0.000 0.919 259 T HN 0.012 nan 8.240 nan 0.000 0.468 260 D N 3.566 123.908 120.400 -0.096 0.000 2.764 260 D HA 0.291 5.124 4.640 0.322 0.000 0.227 260 D C -2.268 174.004 176.300 -0.046 0.000 1.347 260 D CA -2.036 51.925 54.000 -0.064 0.000 0.953 260 D CB 2.329 43.098 40.800 -0.051 0.000 1.476 260 D HN 0.044 nan 8.370 nan 0.000 0.585 261 P HA -0.049 nan 4.420 nan 0.000 0.221 261 P C 0.628 177.914 177.300 -0.023 0.000 1.145 261 P CA 1.056 64.138 63.100 -0.030 0.000 0.795 261 P CB 0.340 32.023 31.700 -0.028 0.000 0.775 262 K N -1.222 119.165 120.400 -0.022 0.000 2.444 262 K HA 0.100 4.613 4.320 0.322 0.000 0.193 262 K C 0.531 177.123 176.600 -0.013 0.000 1.024 262 K CA 0.310 56.587 56.287 -0.016 0.000 1.077 262 K CB 0.246 32.737 32.500 -0.015 0.000 0.833 262 K HN 0.188 nan 8.250 nan 0.000 0.517 263 R N 0.910 121.400 120.500 -0.017 0.000 2.628 263 R HA 0.251 4.784 4.340 0.322 0.000 0.288 263 R C -0.764 175.525 176.300 -0.019 0.000 0.980 263 R CA -0.607 55.485 56.100 -0.014 0.000 0.891 263 R CB 1.904 32.199 30.300 -0.008 0.000 1.188 263 R HN 0.021 nan 8.270 nan 0.000 0.450 264 Q N 1.613 121.406 119.800 -0.013 0.000 2.259 264 Q HA 0.246 4.779 4.340 0.322 0.000 0.249 264 Q C -0.671 175.320 176.000 -0.015 0.000 0.914 264 Q CA -0.782 55.016 55.803 -0.009 0.000 0.904 264 Q CB 1.576 30.315 28.738 0.002 0.000 1.213 264 Q HN 0.265 nan 8.270 nan 0.000 0.428 265 L N 3.071 124.285 121.223 -0.014 0.000 2.319 265 L HA 0.147 4.680 4.340 0.322 0.000 0.280 265 L C 0.260 177.135 176.870 0.010 0.000 1.099 265 L CA 0.710 55.538 54.840 -0.019 0.000 0.828 265 L CB 0.419 42.465 42.059 -0.021 0.000 1.150 265 L HN 0.749 nan 8.230 nan 0.000 0.442 266 I N 3.576 124.150 120.570 0.007 0.000 2.339 266 I HA 0.248 4.611 4.170 0.322 0.000 0.245 266 I C 1.131 177.340 176.117 0.154 0.000 1.096 266 I CA 0.820 62.157 61.300 0.062 0.000 1.408 266 I CB -0.210 37.802 38.000 0.020 0.000 1.092 266 I HN 0.764 nan 8.210 nan 0.000 0.423 267 G N -0.065 108.860 108.800 0.208 0.000 2.523 267 G HA2 0.222 4.375 3.960 0.322 0.000 0.291 267 G HA3 0.222 4.375 3.960 0.322 0.000 0.291 267 G C -1.007 173.991 174.900 0.163 0.000 1.450 267 G CA 0.058 45.300 45.100 0.236 0.000 0.790 267 G HN 0.111 nan 8.290 nan 0.000 0.496 268 D N -1.592 118.831 120.400 0.038 0.000 2.449 268 D HA 0.157 4.990 4.640 0.322 0.000 0.210 268 D C 0.640 176.893 176.300 -0.078 0.000 1.094 268 D CA 0.628 54.605 54.000 -0.038 0.000 0.846 268 D CB 1.262 42.012 40.800 -0.084 0.000 1.003 268 D HN 0.358 nan 8.370 nan 0.000 0.504 269 D N -0.460 119.872 120.400 -0.114 0.000 2.212 269 D HA 0.105 4.938 4.640 0.322 0.000 0.311 269 D C -0.572 175.551 176.300 -0.296 0.000 1.091 269 D CA 0.270 54.144 54.000 -0.211 0.000 0.910 269 D CB 0.931 41.602 40.800 -0.215 0.000 1.707 269 D HN 0.047 nan 8.370 nan 0.000 0.522 270 E N -0.299 119.574 120.200 -0.544 0.000 2.260 270 E HA 0.459 5.002 4.350 0.322 0.000 0.266 270 E C -1.318 174.542 176.600 -1.233 0.000 0.887 270 E CA -0.554 55.377 56.400 -0.782 0.000 0.777 270 E CB 1.924 31.109 29.700 -0.859 0.000 1.205 270 E HN 0.191 nan 8.360 nan 0.000 0.414 271 H N 0.147 118.650 119.070 -0.946 0.000 2.928 271 H HA 0.673 5.423 4.556 0.323 0.000 0.371 271 H C -0.151 174.537 175.328 -1.068 0.000 1.186 271 H CA -0.804 54.641 56.048 -1.006 0.000 1.134 271 H CB 2.150 31.596 29.762 -0.526 0.000 1.824 271 H HN 0.561 nan 8.280 nan 0.000 0.554 272 G N -0.295 107.907 108.800 -0.996 0.000 2.568 272 G HA2 0.415 4.569 3.960 0.322 0.000 0.313 272 G HA3 0.415 4.569 3.960 0.322 0.000 0.313 272 G C -1.801 172.809 174.900 -0.484 0.000 1.227 272 G CA -0.583 44.100 45.100 -0.694 0.000 0.979 272 G HN 0.475 nan 8.290 nan 0.000 0.486 273 W N 2.407 123.651 121.300 -0.092 0.000 2.835 273 W HA 0.408 5.260 4.660 0.321 0.000 0.326 273 W C -1.202 175.488 176.519 0.285 0.000 1.024 273 W CA -1.672 55.750 57.345 0.128 0.000 1.267 273 W CB 1.235 30.755 29.460 0.100 0.000 1.267 273 W HN 0.784 nan 8.180 nan 0.000 0.412 274 D N 1.892 122.745 120.400 0.755 0.000 2.624 274 D HA 0.189 5.022 4.640 0.322 0.000 0.257 274 D C 1.289 177.860 176.300 0.453 0.000 1.167 274 D CA -0.136 54.146 54.000 0.469 0.000 1.086 274 D CB 0.178 41.281 40.800 0.505 0.000 1.210 274 D HN 0.322 nan 8.370 nan 0.000 0.631 275 E N -0.234 120.179 120.200 0.355 0.000 2.333 275 E HA -0.108 4.435 4.350 0.322 0.000 0.198 275 E C 1.027 177.891 176.600 0.441 0.000 1.007 275 E CA 0.941 57.547 56.400 0.342 0.000 0.845 275 E CB -0.253 29.580 29.700 0.222 0.000 0.766 275 E HN 0.256 nan 8.360 nan 0.000 0.507 276 S N -0.268 115.622 115.700 0.318 0.000 2.497 276 S HA 0.396 5.059 4.470 0.322 0.000 0.221 276 S C 0.748 175.229 174.600 -0.199 0.000 1.037 276 S CA 0.335 58.617 58.200 0.137 0.000 0.920 276 S CB 0.970 64.232 63.200 0.103 0.000 0.800 276 S HN 0.680 nan 8.310 nan 0.000 0.505 277 G N 0.477 109.237 108.800 -0.067 0.000 2.350 277 G HA2 0.246 4.399 3.960 0.322 0.000 0.276 277 G HA3 0.246 4.399 3.960 0.322 0.000 0.276 277 G C -1.750 173.241 174.900 0.151 0.000 1.313 277 G CA -0.752 44.213 45.100 -0.225 0.000 0.903 277 G HN 0.074 nan 8.290 nan 0.000 0.490 278 V N 1.191 121.040 119.914 -0.108 0.000 2.407 278 V HA 0.699 5.012 4.120 0.322 0.000 0.278 278 V C -0.303 175.871 176.094 0.134 0.000 1.037 278 V CA -0.155 62.072 62.300 -0.123 0.000 0.900 278 V CB 0.277 31.845 31.823 -0.424 0.000 0.983 278 V HN 0.963 nan 8.190 nan 0.000 0.459 279 F N 2.393 122.430 119.950 0.146 0.000 2.565 279 F HA 0.629 5.349 4.527 0.321 0.000 0.313 279 F C -0.413 175.513 175.800 0.210 0.000 1.091 279 F CA -1.441 56.672 58.000 0.188 0.000 0.915 279 F CB 1.160 40.285 39.000 0.207 0.000 1.208 279 F HN 0.336 nan 8.300 nan 0.000 0.453 280 N N 1.644 120.495 118.700 0.253 0.000 2.518 280 N HA 0.128 5.061 4.740 0.322 0.000 0.266 280 N C 0.203 175.833 175.510 0.200 0.000 1.196 280 N CA -0.309 52.664 53.050 -0.128 0.000 0.947 280 N CB 0.401 38.865 38.487 -0.037 0.000 1.098 280 N HN 0.615 nan 8.380 nan 0.000 0.450 281 F N 0.760 120.627 119.950 -0.138 0.000 2.569 281 F HA 0.198 4.917 4.527 0.321 0.000 0.295 281 F C 0.854 176.654 175.800 -0.001 0.000 1.115 281 F CA 0.223 58.259 58.000 0.059 0.000 1.450 281 F CB -0.210 38.807 39.000 0.027 0.000 1.107 281 F HN 0.430 nan 8.300 nan 0.000 0.563 282 E N -1.222 119.004 120.200 0.043 0.000 2.232 282 E HA 0.526 5.069 4.350 0.322 0.000 0.264 282 E C 0.721 177.295 176.600 -0.043 0.000 0.973 282 E CA -0.289 56.050 56.400 -0.103 0.000 0.849 282 E CB 1.196 30.735 29.700 -0.268 0.000 1.198 282 E HN 0.042 nan 8.360 nan 0.000 0.407 283 G N 0.221 108.976 108.800 -0.076 0.000 3.453 283 G HA2 0.448 4.601 3.960 0.322 0.000 0.263 283 G HA3 0.448 4.601 3.960 0.322 0.000 0.263 283 G C 0.179 175.040 174.900 -0.064 0.000 1.060 283 G CA 0.355 45.459 45.100 0.005 0.000 0.793 283 G HN 0.556 nan 8.290 nan 0.000 0.532 284 G N -1.380 107.315 108.800 -0.176 0.000 2.606 284 G HA2 0.440 4.593 3.960 0.322 0.000 0.300 284 G HA3 0.440 4.593 3.960 0.322 0.000 0.300 284 G C -1.623 173.081 174.900 -0.327 0.000 1.360 284 G CA -0.419 44.531 45.100 -0.250 0.000 0.783 284 G HN 0.305 nan 8.290 nan 0.000 0.484 285 C N -0.730 118.275 119.300 -0.491 0.000 2.455 285 C HA 0.690 5.343 4.460 0.322 0.000 0.320 285 C C -1.176 173.491 174.990 -0.539 0.000 1.226 285 C CA -0.738 57.965 59.018 -0.524 0.000 1.569 285 C CB 0.870 28.232 27.740 -0.630 0.000 2.200 285 C HN 0.615 nan 8.230 nan 0.000 0.491 286 Y N 2.409 122.452 120.300 -0.429 0.000 2.686 286 Y HA 0.619 5.361 4.550 0.320 0.000 0.331 286 Y C 0.031 175.831 175.900 -0.168 0.000 0.996 286 Y CA -0.859 57.074 58.100 -0.278 0.000 1.293 286 Y CB 0.222 38.594 38.460 -0.146 0.000 1.092 286 Y HN 0.890 nan 8.280 nan 0.000 0.524 287 A N 5.357 128.068 122.820 -0.183 0.000 2.312 287 A HA 0.567 5.080 4.320 0.322 0.000 0.328 287 A C -0.432 177.068 177.584 -0.139 0.000 1.158 287 A CA -0.937 51.017 52.037 -0.139 0.000 0.821 287 A CB 0.691 19.665 19.000 -0.044 0.000 1.170 287 A HN 0.678 nan 8.150 nan 0.000 0.490 288 K N 0.758 121.095 120.400 -0.105 0.000 2.350 288 K HA 0.285 4.798 4.320 0.322 0.000 0.279 288 K C 0.631 177.221 176.600 -0.016 0.000 1.027 288 K CA 0.636 56.883 56.287 -0.067 0.000 0.969 288 K CB 0.607 33.082 32.500 -0.041 0.000 0.954 288 K HN 0.813 nan 8.250 nan 0.000 0.474 289 T N -0.885 113.688 114.554 0.032 0.000 3.040 289 T HA 0.119 4.662 4.350 0.322 0.000 0.266 289 T C 0.527 175.302 174.700 0.124 0.000 1.005 289 T CA -0.466 61.676 62.100 0.070 0.000 0.906 289 T CB -0.020 68.973 68.868 0.209 0.000 1.082 289 T HN 0.350 nan 8.240 nan 0.000 0.531 290 I N 3.336 123.962 120.570 0.093 0.000 2.752 290 I HA 0.166 4.529 4.170 0.322 0.000 0.289 290 I C 0.409 176.571 176.117 0.076 0.000 1.197 290 I CA 0.427 61.786 61.300 0.098 0.000 1.432 290 I CB -0.700 37.334 38.000 0.058 0.000 1.359 290 I HN 0.525 nan 8.210 nan 0.000 0.571 291 N N 2.638 121.400 118.700 0.103 0.000 2.753 291 N HA -0.257 4.676 4.740 0.322 0.000 0.251 291 N C -0.323 175.204 175.510 0.028 0.000 1.097 291 N CA 0.367 53.459 53.050 0.069 0.000 0.786 291 N CB -1.288 37.219 38.487 0.034 0.000 1.137 291 N HN 0.493 nan 8.380 nan 0.000 0.566 292 L N 1.001 122.226 121.223 0.003 0.000 2.540 292 L HA 0.226 4.759 4.340 0.322 0.000 0.276 292 L C 0.322 177.104 176.870 -0.146 0.000 1.212 292 L CA 0.854 55.608 54.840 -0.143 0.000 0.893 292 L CB 1.023 42.831 42.059 -0.419 0.000 1.138 292 L HN 0.116 nan 8.230 nan 0.000 0.491 293 S N 2.767 118.377 115.700 -0.150 0.000 2.521 293 S HA 0.606 5.270 4.470 0.322 0.000 0.295 293 S C 0.679 175.105 174.600 -0.290 0.000 1.098 293 S CA 0.075 58.160 58.200 -0.191 0.000 0.999 293 S CB 1.864 64.989 63.200 -0.125 0.000 1.034 293 S HN 0.879 nan 8.310 nan 0.000 0.483 294 Q N 2.477 121.951 119.800 -0.543 0.000 2.170 294 Q HA -0.012 4.522 4.340 0.322 0.000 0.203 294 Q C 2.091 177.920 176.000 -0.285 0.000 0.976 294 Q CA 2.281 57.696 55.803 -0.647 0.000 0.858 294 Q CB -1.775 26.363 28.738 -1.000 0.000 0.907 294 Q HN 1.096 nan 8.270 nan 0.000 0.433 295 E N 0.312 120.377 120.200 -0.226 0.000 2.072 295 E HA -0.100 4.443 4.350 0.322 0.000 0.190 295 E C 1.976 178.512 176.600 -0.107 0.000 0.982 295 E CA 1.637 57.954 56.400 -0.138 0.000 0.803 295 E CB -1.472 28.160 29.700 -0.114 0.000 0.755 295 E HN 0.982 nan 8.360 nan 0.000 0.453 296 N N 0.725 119.360 118.700 -0.109 0.000 2.300 296 N HA -0.035 4.898 4.740 0.322 0.000 0.179 296 N C 1.182 176.646 175.510 -0.076 0.000 1.016 296 N CA 1.148 54.149 53.050 -0.082 0.000 0.876 296 N CB 0.234 38.678 38.487 -0.073 0.000 0.979 296 N HN 0.355 nan 8.380 nan 0.000 0.432 297 E N -0.306 119.842 120.200 -0.086 0.000 3.651 297 E HA 0.154 4.698 4.350 0.322 0.000 0.220 297 E C -2.092 174.487 176.600 -0.036 0.000 1.222 297 E CA -1.461 54.904 56.400 -0.058 0.000 1.114 297 E CB 1.646 31.314 29.700 -0.054 0.000 1.278 297 E HN 0.427 nan 8.360 nan 0.000 0.412 298 P HA -0.169 nan 4.420 nan 0.000 0.215 298 P C 0.558 177.862 177.300 0.006 0.000 1.157 298 P CA 1.201 64.290 63.100 -0.019 0.000 0.868 298 P CB 0.579 32.256 31.700 -0.039 0.000 0.788 299 D N 0.103 120.491 120.400 -0.020 0.000 2.097 299 D HA -0.099 4.734 4.640 0.322 0.000 0.195 299 D C 2.222 178.485 176.300 -0.062 0.000 0.989 299 D CA 0.965 54.943 54.000 -0.036 0.000 0.827 299 D CB -0.896 39.886 40.800 -0.029 0.000 0.966 299 D HN 0.241 nan 8.370 nan 0.000 0.456 300 I N -0.277 120.277 120.570 -0.026 0.000 2.252 300 I HA -0.279 4.084 4.170 0.322 0.000 0.245 300 I C 2.272 178.328 176.117 -0.101 0.000 1.102 300 I CA 0.871 62.154 61.300 -0.028 0.000 1.385 300 I CB -0.283 37.742 38.000 0.042 0.000 1.064 300 I HN -0.015 nan 8.210 nan 0.000 0.414 301 Y N 1.841 122.039 120.300 -0.169 0.000 2.128 301 Y HA -0.220 4.523 4.550 0.323 0.000 0.284 301 Y C 2.469 178.278 175.900 -0.153 0.000 1.154 301 Y CA 1.788 59.777 58.100 -0.184 0.000 1.149 301 Y CB -0.712 37.644 38.460 -0.174 0.000 0.976 301 Y HN 0.103 nan 8.280 nan 0.000 0.505 302 G N -0.903 107.874 108.800 -0.039 0.000 2.498 302 G HA2 -0.161 3.992 3.960 0.322 0.000 0.219 302 G HA3 -0.161 3.992 3.960 0.322 0.000 0.219 302 G C 1.620 176.377 174.900 -0.238 0.000 1.119 302 G CA 0.655 45.690 45.100 -0.109 0.000 0.766 302 G HN 0.562 nan 8.290 nan 0.000 0.552 303 A N 0.089 122.703 122.820 -0.344 0.000 2.169 303 A HA 0.371 4.884 4.320 0.322 0.000 0.212 303 A C 1.137 178.519 177.584 -0.336 0.000 1.153 303 A CA -0.094 51.648 52.037 -0.492 0.000 0.756 303 A CB -0.057 18.224 19.000 -1.200 0.000 0.813 303 A HN 0.321 nan 8.150 nan 0.000 0.471 304 I N 2.216 122.602 120.570 -0.306 0.000 2.260 304 I HA 0.231 4.594 4.170 0.322 0.000 0.297 304 I C 0.591 176.626 176.117 -0.138 0.000 1.143 304 I CA -0.112 61.088 61.300 -0.166 0.000 1.271 304 I CB -0.309 37.576 38.000 -0.192 0.000 1.461 304 I HN 0.464 nan 8.210 nan 0.000 0.530 305 R N 4.270 124.747 120.500 -0.038 0.000 2.844 305 R HA 0.515 5.048 4.340 0.322 0.000 0.264 305 R C -0.462 175.878 176.300 0.067 0.000 1.077 305 R CA -1.177 54.900 56.100 -0.037 0.000 0.953 305 R CB 0.916 31.132 30.300 -0.141 0.000 1.272 305 R HN 0.204 nan 8.270 nan 0.000 0.447 306 R N 0.562 121.088 120.500 0.043 0.000 2.523 306 R HA -0.087 4.446 4.340 0.322 0.000 0.281 306 R C -0.675 175.711 176.300 0.142 0.000 0.969 306 R CA 1.947 58.107 56.100 0.100 0.000 1.093 306 R CB -0.080 30.183 30.300 -0.062 0.000 0.917 306 R HN 0.826 nan 8.270 nan 0.000 0.408 307 D N -0.603 119.927 120.400 0.217 0.000 2.277 307 D HA -0.142 4.691 4.640 0.322 0.000 0.167 307 D C -0.466 175.964 176.300 0.217 0.000 0.974 307 D CA 1.471 55.541 54.000 0.117 0.000 1.013 307 D CB -1.209 39.361 40.800 -0.384 0.000 1.086 307 D HN 0.664 nan 8.370 nan 0.000 0.498 308 A N 0.143 123.081 122.820 0.197 0.000 2.332 308 A HA 0.596 5.110 4.320 0.322 0.000 0.258 308 A C -0.153 177.505 177.584 0.122 0.000 1.087 308 A CA -0.094 52.027 52.037 0.139 0.000 0.802 308 A CB 0.709 19.812 19.000 0.171 0.000 1.042 308 A HN 0.233 nan 8.150 nan 0.000 0.489 309 L N 2.095 123.321 121.223 0.005 0.000 2.372 309 L HA 0.517 5.050 4.340 0.322 0.000 0.273 309 L C -0.981 175.884 176.870 -0.008 0.000 0.989 309 L CA -0.107 54.689 54.840 -0.073 0.000 0.841 309 L CB 1.014 42.886 42.059 -0.313 0.000 1.225 309 L HN 0.625 nan 8.230 nan 0.000 0.414 310 L N 4.088 125.307 121.223 -0.007 0.000 2.371 310 L HA 0.459 4.992 4.340 0.322 0.000 0.272 310 L C 0.180 177.005 176.870 -0.074 0.000 1.124 310 L CA 0.037 54.883 54.840 0.009 0.000 0.816 310 L CB 1.016 43.078 42.059 0.005 0.000 1.129 310 L HN 0.625 nan 8.230 nan 0.000 0.448 311 E N 3.687 123.871 120.200 -0.026 0.000 2.216 311 E HA 0.190 4.733 4.350 0.322 0.000 0.260 311 E C -0.560 176.025 176.600 -0.024 0.000 0.880 311 E CA -0.489 55.868 56.400 -0.071 0.000 0.765 311 E CB 0.695 30.405 29.700 0.017 0.000 1.174 311 E HN 0.646 nan 8.360 nan 0.000 0.417 312 N N 0.944 119.606 118.700 -0.064 0.000 2.800 312 N HA -0.167 4.766 4.740 0.322 0.000 0.250 312 N C 0.087 175.577 175.510 -0.032 0.000 1.078 312 N CA 1.213 54.242 53.050 -0.034 0.000 0.804 312 N CB -1.859 36.633 38.487 0.008 0.000 1.135 312 N HN 0.409 nan 8.380 nan 0.000 0.565 313 V N -2.629 117.252 119.914 -0.055 0.000 2.953 313 V HA 0.544 4.857 4.120 0.322 0.000 0.304 313 V C 1.159 177.187 176.094 -0.110 0.000 1.073 313 V CA -0.744 61.504 62.300 -0.088 0.000 1.064 313 V CB 1.696 33.417 31.823 -0.171 0.000 1.047 313 V HN -0.069 nan 8.190 nan 0.000 0.478 314 V N 3.384 123.225 119.914 -0.122 0.000 2.461 314 V HA 0.345 4.658 4.120 0.322 0.000 0.275 314 V C 0.111 176.121 176.094 -0.140 0.000 1.047 314 V CA -0.145 62.093 62.300 -0.104 0.000 0.955 314 V CB 1.252 33.030 31.823 -0.076 0.000 0.988 314 V HN 0.750 nan 8.190 nan 0.000 0.471 315 V N 6.825 126.674 119.914 -0.110 0.000 2.409 315 V HA 0.460 4.774 4.120 0.322 0.000 0.291 315 V C 0.447 176.496 176.094 -0.074 0.000 1.020 315 V CA -0.856 61.380 62.300 -0.108 0.000 0.848 315 V CB 1.507 33.272 31.823 -0.096 0.000 0.990 315 V HN 0.835 nan 8.190 nan 0.000 0.430 316 R N 2.850 123.311 120.500 -0.066 0.000 2.738 316 R HA 0.425 4.958 4.340 0.322 0.000 0.275 316 R C 1.590 177.869 176.300 -0.035 0.000 1.121 316 R CA 0.092 56.165 56.100 -0.044 0.000 1.207 316 R CB 0.368 30.646 30.300 -0.036 0.000 1.141 316 R HN 0.780 nan 8.270 nan 0.000 0.571 317 A N 1.276 124.081 122.820 -0.026 0.000 2.076 317 A HA -0.185 4.328 4.320 0.322 0.000 0.220 317 A C 1.213 178.788 177.584 -0.015 0.000 1.160 317 A CA 1.943 53.968 52.037 -0.020 0.000 0.653 317 A CB -0.510 18.481 19.000 -0.016 0.000 0.801 317 A HN 0.834 nan 8.150 nan 0.000 0.455 318 D N -2.614 117.778 120.400 -0.014 0.000 2.339 318 D HA 0.282 5.115 4.640 0.322 0.000 0.217 318 D C 1.160 177.456 176.300 -0.007 0.000 1.050 318 D CA 0.871 54.867 54.000 -0.007 0.000 0.856 318 D CB -0.492 40.307 40.800 -0.003 0.000 0.922 318 D HN 0.742 nan 8.370 nan 0.000 0.518 319 G N 0.448 109.238 108.800 -0.018 0.000 2.175 319 G HA2 -0.291 3.863 3.960 0.322 0.000 0.244 319 G HA3 -0.291 3.863 3.960 0.322 0.000 0.244 319 G C 0.417 175.299 174.900 -0.030 0.000 0.982 319 G CA 0.374 45.461 45.100 -0.021 0.000 0.641 319 G HN 0.802 nan 8.290 nan 0.000 0.527 320 S N -0.595 115.088 115.700 -0.028 0.000 2.585 320 S HA 0.651 5.314 4.470 0.322 0.000 0.273 320 S C 0.183 174.729 174.600 -0.090 0.000 1.339 320 S CA -0.101 58.080 58.200 -0.032 0.000 1.028 320 S CB 2.406 65.600 63.200 -0.009 0.000 0.906 320 S HN 1.049 nan 8.310 nan 0.000 0.528 321 V N 2.262 122.088 119.914 -0.147 0.000 2.435 321 V HA 0.345 4.658 4.120 0.322 0.000 0.290 321 V C -0.190 175.706 176.094 -0.330 0.000 1.030 321 V CA -0.696 61.398 62.300 -0.343 0.000 0.881 321 V CB 1.483 32.890 31.823 -0.694 0.000 0.983 321 V HN 0.990 nan 8.190 nan 0.000 0.445 322 D N 3.540 123.780 120.400 -0.266 0.000 2.479 322 D HA 0.266 5.099 4.640 0.322 0.000 0.218 322 D C 0.606 176.826 176.300 -0.133 0.000 1.131 322 D CA -0.366 53.559 54.000 -0.125 0.000 0.916 322 D CB 0.552 41.313 40.800 -0.063 0.000 1.022 322 D HN 0.366 nan 8.370 nan 0.000 0.515 323 F N 0.994 120.968 119.950 0.040 0.000 2.451 323 F HA -0.062 4.659 4.527 0.323 0.000 0.299 323 F C 1.808 177.623 175.800 0.024 0.000 1.101 323 F CA 0.627 58.651 58.000 0.040 0.000 1.436 323 F CB 0.176 39.217 39.000 0.070 0.000 1.074 323 F HN 0.305 nan 8.300 nan 0.000 0.553 324 D N -0.955 119.543 120.400 0.163 0.000 2.349 324 D HA -0.065 4.768 4.640 0.322 0.000 0.215 324 D C 0.406 176.740 176.300 0.056 0.000 1.016 324 D CA 0.498 54.557 54.000 0.098 0.000 0.870 324 D CB -0.232 40.610 40.800 0.070 0.000 0.917 324 D HN 0.140 nan 8.370 nan 0.000 0.524 325 D N 0.439 120.861 120.400 0.035 0.000 2.352 325 D HA 0.170 5.003 4.640 0.322 0.000 0.245 325 D C 1.003 177.309 176.300 0.011 0.000 1.224 325 D CA -0.188 53.818 54.000 0.011 0.000 0.879 325 D CB 0.857 41.649 40.800 -0.013 0.000 1.057 325 D HN 0.027 nan 8.370 nan 0.000 0.491 326 G N 2.297 111.105 108.800 0.013 0.000 3.448 326 G HA2 -0.026 4.128 3.960 0.322 0.000 0.261 326 G HA3 -0.026 4.128 3.960 0.322 0.000 0.261 326 G C 1.361 176.261 174.900 -0.000 0.000 1.173 326 G CA -0.238 44.869 45.100 0.011 0.000 0.835 326 G HN 0.409 nan 8.290 nan 0.000 0.534 327 S N 0.640 116.336 115.700 -0.005 0.000 2.383 327 S HA -0.118 4.545 4.470 0.322 0.000 0.229 327 S C 2.293 176.885 174.600 -0.013 0.000 1.030 327 S CA 1.165 59.359 58.200 -0.010 0.000 1.002 327 S CB -0.027 63.166 63.200 -0.012 0.000 0.829 327 S HN 0.503 nan 8.310 nan 0.000 0.467 328 K N -0.262 120.130 120.400 -0.013 0.000 2.076 328 K HA 0.100 4.613 4.320 0.322 0.000 0.204 328 K C 0.816 177.405 176.600 -0.018 0.000 1.051 328 K CA 0.882 57.160 56.287 -0.016 0.000 0.949 328 K CB 0.127 32.618 32.500 -0.015 0.000 0.726 328 K HN 0.272 nan 8.250 nan 0.000 0.443 329 T N -1.342 113.206 114.554 -0.010 0.000 2.831 329 T HA 0.049 4.592 4.350 0.322 0.000 0.333 329 T C -0.818 173.883 174.700 0.003 0.000 1.684 329 T CA -0.620 61.474 62.100 -0.009 0.000 1.049 329 T CB 1.554 70.418 68.868 -0.008 0.000 1.518 329 T HN 0.036 nan 8.240 nan 0.000 0.491 330 E N 1.816 122.016 120.200 0.001 0.000 2.299 330 E HA 0.122 4.665 4.350 0.322 0.000 0.193 330 E C 0.988 177.598 176.600 0.016 0.000 0.998 330 E CA 0.755 57.161 56.400 0.010 0.000 0.851 330 E CB 0.071 29.774 29.700 0.005 0.000 0.795 330 E HN 0.457 nan 8.360 nan 0.000 0.492 331 N N 0.792 119.499 118.700 0.012 0.000 2.843 331 N HA -0.004 4.929 4.740 0.322 0.000 0.284 331 N C -1.107 174.428 175.510 0.042 0.000 1.274 331 N CA 0.121 53.183 53.050 0.020 0.000 1.045 331 N CB -0.353 38.138 38.487 0.006 0.000 1.370 331 N HN 0.074 nan 8.380 nan 0.000 0.525 332 T N -1.383 113.196 114.554 0.042 0.000 2.926 332 T HA 0.352 4.895 4.350 0.322 0.000 0.307 332 T C 0.324 175.043 174.700 0.031 0.000 1.059 332 T CA -0.392 61.741 62.100 0.055 0.000 1.122 332 T CB 1.252 70.167 68.868 0.078 0.000 0.972 332 T HN 0.066 nan 8.240 nan 0.000 0.545 333 R N 0.430 120.946 120.500 0.027 0.000 2.817 333 R HA 0.816 5.349 4.340 0.322 0.000 0.268 333 R C -1.487 174.850 176.300 0.062 0.000 1.027 333 R CA -0.924 55.146 56.100 -0.049 0.000 0.928 333 R CB 1.974 32.113 30.300 -0.269 0.000 1.228 333 R HN 0.600 nan 8.270 nan 0.000 0.469 334 V N 0.690 120.643 119.914 0.065 0.000 2.851 334 V HA 0.549 4.862 4.120 0.322 0.000 0.307 334 V C -1.042 175.119 176.094 0.111 0.000 1.129 334 V CA -0.372 62.013 62.300 0.141 0.000 0.932 334 V CB 2.253 34.197 31.823 0.202 0.000 1.024 334 V HN 0.961 nan 8.190 nan 0.000 0.426 335 S N 5.880 121.631 115.700 0.085 0.000 2.568 335 S HA 0.974 5.637 4.470 0.322 0.000 0.302 335 S C -1.103 173.388 174.600 -0.181 0.000 1.082 335 S CA -0.532 57.577 58.200 -0.152 0.000 1.009 335 S CB 1.876 64.922 63.200 -0.258 0.000 1.069 335 S HN 1.526 nan 8.310 nan 0.000 0.500 336 Y N -2.288 117.874 120.300 -0.230 0.000 2.592 336 Y HA 0.714 5.457 4.550 0.322 0.000 0.334 336 Y C -3.359 172.262 175.900 -0.464 0.000 1.136 336 Y CA -2.732 55.131 58.100 -0.395 0.000 1.042 336 Y CB 0.212 38.414 38.460 -0.429 0.000 1.325 336 Y HN 0.490 nan 8.280 nan 0.000 0.457 337 P HA 0.113 nan 4.420 nan 0.000 0.269 337 P C 0.858 177.931 177.300 -0.379 0.000 1.209 337 P CA -0.081 62.762 63.100 -0.428 0.000 0.776 337 P CB 1.811 33.132 31.700 -0.633 0.000 0.876 338 I N 2.860 123.330 120.570 -0.166 0.000 2.454 338 I HA -0.286 4.077 4.170 0.322 0.000 0.254 338 I C 1.732 177.869 176.117 0.034 0.000 1.156 338 I CA 1.176 62.465 61.300 -0.018 0.000 1.433 338 I CB -0.266 37.749 38.000 0.026 0.000 1.082 338 I HN 0.334 nan 8.210 nan 0.000 0.432 339 Y N -1.649 118.732 120.300 0.134 0.000 2.632 339 Y HA -0.044 4.699 4.550 0.322 0.000 0.301 339 Y C 1.912 177.919 175.900 0.178 0.000 1.172 339 Y CA 0.505 58.685 58.100 0.134 0.000 1.328 339 Y CB -1.889 36.641 38.460 0.116 0.000 1.016 339 Y HN 0.262 nan 8.280 nan 0.000 0.529 340 H N 0.110 119.038 119.070 -0.238 0.000 2.555 340 H HA 0.116 4.866 4.556 0.322 0.000 0.269 340 H C -0.083 175.149 175.328 -0.161 0.000 0.988 340 H CA -0.148 55.772 56.048 -0.213 0.000 1.178 340 H CB 0.439 29.962 29.762 -0.399 0.000 1.373 340 H HN 0.193 nan 8.280 nan 0.000 0.588 341 I N 1.083 121.687 120.570 0.056 0.000 2.412 341 I HA -0.017 4.346 4.170 0.322 0.000 0.296 341 I C 0.701 176.843 176.117 0.043 0.000 0.987 341 I CA -0.401 60.916 61.300 0.027 0.000 1.180 341 I CB 1.735 39.776 38.000 0.068 0.000 1.340 341 I HN 0.069 nan 8.210 nan 0.000 0.455 342 D N 3.154 123.564 120.400 0.015 0.000 2.085 342 D HA -0.133 4.700 4.640 0.322 0.000 0.199 342 D C 1.042 177.356 176.300 0.024 0.000 0.981 342 D CA 1.604 55.617 54.000 0.021 0.000 0.834 342 D CB 0.006 40.807 40.800 0.001 0.000 0.992 342 D HN 0.437 nan 8.370 nan 0.000 0.457 343 N N 0.857 119.563 118.700 0.010 0.000 3.193 343 N HA 0.078 5.011 4.740 0.322 0.000 0.312 343 N C -0.487 175.030 175.510 0.012 0.000 1.261 343 N CA -0.059 52.995 53.050 0.006 0.000 1.208 343 N CB -0.832 37.650 38.487 -0.009 0.000 1.471 343 N HN 0.246 nan 8.380 nan 0.000 0.548 344 I N -2.530 118.058 120.570 0.030 0.000 2.957 344 I HA 0.558 4.921 4.170 0.322 0.000 0.310 344 I C -0.298 175.844 176.117 0.043 0.000 1.063 344 I CA -1.355 59.969 61.300 0.039 0.000 1.033 344 I CB 1.506 39.544 38.000 0.063 0.000 1.230 344 I HN -0.315 nan 8.210 nan 0.000 0.447 345 V N 4.049 123.989 119.914 0.044 0.000 2.572 345 V HA 0.384 4.697 4.120 0.322 0.000 0.291 345 V C 0.315 176.446 176.094 0.061 0.000 1.039 345 V CA -0.102 62.225 62.300 0.045 0.000 1.055 345 V CB 0.301 32.151 31.823 0.045 0.000 0.969 345 V HN 0.667 nan 8.190 nan 0.000 0.482 346 R N 5.016 125.548 120.500 0.054 0.000 2.808 346 R HA 0.500 5.033 4.340 0.322 0.000 0.272 346 R C -2.014 174.314 176.300 0.047 0.000 0.995 346 R CA -1.627 54.509 56.100 0.060 0.000 0.917 346 R CB 1.339 31.672 30.300 0.055 0.000 1.217 346 R HN 0.505 nan 8.270 nan 0.000 0.471 347 P HA 0.191 nan 4.420 nan 0.000 0.261 347 P C -0.377 176.968 177.300 0.076 0.000 1.268 347 P CA 0.133 63.268 63.100 0.057 0.000 0.833 347 P CB 0.794 32.517 31.700 0.040 0.000 1.231 348 V N 0.231 120.190 119.914 0.075 0.000 2.656 348 V HA 0.211 4.524 4.120 0.322 0.000 0.307 348 V C 0.197 176.350 176.094 0.098 0.000 1.051 348 V CA -0.485 61.869 62.300 0.089 0.000 0.893 348 V CB 2.100 33.965 31.823 0.071 0.000 0.999 348 V HN -0.109 nan 8.190 nan 0.000 0.426 349 S N 5.597 121.369 115.700 0.121 0.000 3.530 349 S HA 0.375 5.038 4.470 0.322 0.000 0.279 349 S C -0.109 174.588 174.600 0.162 0.000 1.280 349 S CA -0.413 57.863 58.200 0.127 0.000 0.946 349 S CB -0.646 62.628 63.200 0.123 0.000 1.501 349 S HN 0.804 nan 8.310 nan 0.000 0.498 350 K N -0.199 120.280 120.400 0.131 0.000 2.615 350 K HA 0.850 5.364 4.320 0.322 0.000 0.291 350 K C -1.098 175.547 176.600 0.075 0.000 1.017 350 K CA -1.153 55.223 56.287 0.150 0.000 0.882 350 K CB 1.081 33.698 32.500 0.195 0.000 1.522 350 K HN 0.267 nan 8.250 nan 0.000 0.412 351 A N 0.451 123.297 122.820 0.044 0.000 2.791 351 A HA 0.801 5.314 4.320 0.322 0.000 0.309 351 A C -0.253 177.300 177.584 -0.052 0.000 1.200 351 A CA -0.396 51.637 52.037 -0.006 0.000 0.635 351 A CB 0.456 19.439 19.000 -0.029 0.000 1.393 351 A HN 0.914 nan 8.150 nan 0.000 0.557 352 G N -1.078 107.678 108.800 -0.073 0.000 2.489 352 G HA2 0.471 4.624 3.960 0.322 0.000 0.271 352 G HA3 0.471 4.624 3.960 0.322 0.000 0.271 352 G C -0.220 174.547 174.900 -0.221 0.000 1.427 352 G CA -0.352 44.670 45.100 -0.130 0.000 1.057 352 G HN 0.682 nan 8.290 nan 0.000 0.532 353 H N -0.253 118.853 119.070 0.059 0.000 2.732 353 H HA 0.367 5.116 4.556 0.322 0.000 0.351 353 H C 0.774 176.010 175.328 -0.154 0.000 1.090 353 H CA 0.258 56.351 56.048 0.075 0.000 1.431 353 H CB 0.931 30.905 29.762 0.353 0.000 1.447 353 H HN 0.540 nan 8.280 nan 0.000 0.582 354 A N 2.066 124.603 122.820 -0.471 0.000 2.401 354 A HA 0.218 4.731 4.320 0.322 0.000 0.259 354 A C 1.159 178.709 177.584 -0.057 0.000 1.103 354 A CA 0.079 51.837 52.037 -0.464 0.000 0.789 354 A CB 0.095 18.527 19.000 -0.947 0.000 1.035 354 A HN 0.862 nan 8.150 nan 0.000 0.491 355 T N -1.379 113.156 114.554 -0.031 0.000 3.003 355 T HA 0.280 4.823 4.350 0.322 0.000 0.261 355 T C 0.237 174.957 174.700 0.033 0.000 1.003 355 T CA -0.059 62.071 62.100 0.051 0.000 0.917 355 T CB 0.138 69.035 68.868 0.048 0.000 1.084 355 T HN 0.473 nan 8.240 nan 0.000 0.522 356 K N 1.688 122.070 120.400 -0.030 0.000 2.471 356 K HA 0.673 5.186 4.320 0.322 0.000 0.252 356 K C -1.592 174.946 176.600 -0.103 0.000 0.938 356 K CA -0.596 55.684 56.287 -0.012 0.000 0.796 356 K CB 2.936 35.396 32.500 -0.066 0.000 1.161 356 K HN 0.026 nan 8.250 nan 0.000 0.425 357 V N 4.616 124.492 119.914 -0.065 0.000 2.407 357 V HA 0.500 4.813 4.120 0.322 0.000 0.291 357 V C -0.172 175.832 176.094 -0.150 0.000 1.018 357 V CA -0.778 61.463 62.300 -0.098 0.000 0.842 357 V CB 1.505 33.275 31.823 -0.089 0.000 0.996 357 V HN 0.607 nan 8.190 nan 0.000 0.426 358 I N 5.239 125.739 120.570 -0.117 0.000 2.389 358 I HA 0.464 4.827 4.170 0.322 0.000 0.288 358 I C -1.093 175.197 176.117 0.288 0.000 0.999 358 I CA -0.374 60.904 61.300 -0.037 0.000 1.129 358 I CB 1.652 39.510 38.000 -0.236 0.000 1.288 358 I HN 0.368 nan 8.210 nan 0.000 0.444 359 F N 6.719 126.764 119.950 0.159 0.000 2.361 359 F HA 0.461 5.181 4.527 0.322 0.000 0.364 359 F C 0.138 176.088 175.800 0.250 0.000 1.120 359 F CA -1.042 57.085 58.000 0.212 0.000 1.102 359 F CB 0.762 39.987 39.000 0.376 0.000 1.183 359 F HN 0.164 nan 8.300 nan 0.000 0.476 360 L N 2.518 123.984 121.223 0.406 0.000 2.334 360 L HA 0.659 5.192 4.340 0.322 0.000 0.277 360 L C 0.468 177.552 176.870 0.356 0.000 1.075 360 L CA -0.307 54.724 54.840 0.318 0.000 0.804 360 L CB 1.792 43.989 42.059 0.229 0.000 1.174 360 L HN 0.562 nan 8.230 nan 0.000 0.438 361 T N 1.425 116.140 114.554 0.268 0.000 2.956 361 T HA 0.659 5.202 4.350 0.322 0.000 0.312 361 T C -1.346 173.444 174.700 0.151 0.000 1.151 361 T CA -0.461 61.768 62.100 0.214 0.000 1.024 361 T CB 1.560 70.611 68.868 0.304 0.000 1.140 361 T HN 0.643 nan 8.240 nan 0.000 0.473 362 A N 3.363 126.235 122.820 0.088 0.000 2.540 362 A HA 0.508 5.022 4.320 0.322 0.000 0.340 362 A C -0.240 177.516 177.584 0.288 0.000 1.424 362 A CA -0.524 51.614 52.037 0.168 0.000 0.940 362 A CB 0.104 19.200 19.000 0.160 0.000 1.149 362 A HN 0.745 nan 8.150 nan 0.000 0.505 363 D N 3.200 123.844 120.400 0.405 0.000 2.383 363 D HA 0.383 5.216 4.640 0.322 0.000 0.245 363 D C 1.175 177.862 176.300 0.645 0.000 1.263 363 D CA 0.495 54.826 54.000 0.552 0.000 0.936 363 D CB 0.934 42.076 40.800 0.569 0.000 1.053 363 D HN 0.445 nan 8.370 nan 0.000 0.507 364 A N 3.515 126.563 122.820 0.381 0.000 2.172 364 A HA -0.081 4.432 4.320 0.322 0.000 0.216 364 A C 1.449 178.953 177.584 -0.134 0.000 1.154 364 A CA 0.529 52.424 52.037 -0.236 0.000 0.701 364 A CB -0.547 18.114 19.000 -0.564 0.000 0.789 364 A HN 0.579 nan 8.150 nan 0.000 0.465 365 F N -0.450 119.575 119.950 0.126 0.000 2.615 365 F HA 0.262 4.981 4.527 0.322 0.000 0.297 365 F C 1.936 177.850 175.800 0.190 0.000 1.124 365 F CA 0.454 58.526 58.000 0.120 0.000 1.451 365 F CB -0.388 38.694 39.000 0.137 0.000 1.103 365 F HN 0.335 nan 8.300 nan 0.000 0.569 366 G N 0.494 109.572 108.800 0.463 0.000 2.249 366 G HA2 -0.254 3.900 3.960 0.322 0.000 0.273 366 G HA3 -0.254 3.900 3.960 0.322 0.000 0.273 366 G C 0.776 175.992 174.900 0.527 0.000 1.036 366 G CA 0.492 45.891 45.100 0.498 0.000 0.824 366 G HN 0.283 nan 8.290 nan 0.000 0.504 367 V N -0.408 119.736 119.914 0.384 0.000 2.908 367 V HA 0.302 4.615 4.120 0.322 0.000 0.240 367 V C 1.782 178.077 176.094 0.334 0.000 1.117 367 V CA 0.872 63.341 62.300 0.283 0.000 1.133 367 V CB -0.053 31.731 31.823 -0.065 0.000 0.857 367 V HN 0.394 nan 8.190 nan 0.000 0.478 368 L N 1.920 123.228 121.223 0.142 0.000 2.439 368 L HA 0.250 4.783 4.340 0.322 0.000 0.269 368 L C -2.275 174.665 176.870 0.116 0.000 1.179 368 L CA -1.503 53.350 54.840 0.021 0.000 0.828 368 L CB 0.020 42.080 42.059 0.003 0.000 1.106 368 L HN 0.103 nan 8.230 nan 0.000 0.467 369 P HA 0.101 nan 4.420 nan 0.000 0.272 369 P C -2.130 175.210 177.300 0.067 0.000 1.223 369 P CA -1.143 61.993 63.100 0.061 0.000 0.784 369 P CB 0.219 31.932 31.700 0.023 0.000 0.923 370 P HA -0.113 nan 4.420 nan 0.000 0.216 370 P C 0.083 177.412 177.300 0.048 0.000 1.150 370 P CA 1.390 64.522 63.100 0.053 0.000 0.843 370 P CB 0.299 32.018 31.700 0.031 0.000 0.787 371 V N -1.782 118.156 119.914 0.040 0.000 2.817 371 V HA 0.467 4.780 4.120 0.322 0.000 0.303 371 V C -1.424 174.703 176.094 0.056 0.000 1.151 371 V CA -0.503 61.826 62.300 0.048 0.000 0.929 371 V CB 2.325 34.160 31.823 0.019 0.000 1.030 371 V HN -0.209 nan 8.190 nan 0.000 0.427 372 S N 5.449 121.195 115.700 0.077 0.000 2.536 372 S HA 0.560 5.223 4.470 0.322 0.000 0.287 372 S C -1.025 173.633 174.600 0.097 0.000 1.101 372 S CA -0.721 57.513 58.200 0.057 0.000 0.950 372 S CB 1.859 65.053 63.200 -0.011 0.000 1.056 372 S HN 0.823 nan 8.310 nan 0.000 0.481 373 K N 3.265 123.704 120.400 0.065 0.000 2.234 373 K HA 0.484 4.997 4.320 0.322 0.000 0.277 373 K C -1.014 175.516 176.600 -0.116 0.000 1.038 373 K CA -0.472 55.782 56.287 -0.056 0.000 0.888 373 K CB 0.327 32.822 32.500 -0.009 0.000 1.091 373 K HN 0.559 nan 8.250 nan 0.000 0.467 374 L N 3.393 124.497 121.223 -0.198 0.000 2.379 374 L HA 0.305 4.838 4.340 0.322 0.000 0.269 374 L C 0.905 177.717 176.870 -0.097 0.000 1.084 374 L CA -0.890 53.889 54.840 -0.101 0.000 0.802 374 L CB 1.389 43.409 42.059 -0.065 0.000 1.175 374 L HN 0.785 nan 8.230 nan 0.000 0.448 375 T N -1.619 112.918 114.554 -0.028 0.000 2.816 375 T HA 0.229 4.772 4.350 0.322 0.000 0.282 375 T C -1.967 172.722 174.700 -0.018 0.000 0.993 375 T CA -1.599 60.483 62.100 -0.030 0.000 0.994 375 T CB 1.184 70.046 68.868 -0.010 0.000 1.025 375 T HN 0.335 nan 8.240 nan 0.000 0.529 376 P HA -0.068 nan 4.420 nan 0.000 0.215 376 P C 1.240 178.557 177.300 0.029 0.000 1.153 376 P CA 1.073 64.165 63.100 -0.015 0.000 0.853 376 P CB 0.026 31.712 31.700 -0.024 0.000 0.788 377 E N -0.482 119.736 120.200 0.030 0.000 2.072 377 E HA -0.178 4.365 4.350 0.322 0.000 0.191 377 E C 2.148 178.809 176.600 0.101 0.000 0.985 377 E CA 1.144 57.575 56.400 0.051 0.000 0.801 377 E CB -0.851 28.858 29.700 0.015 0.000 0.750 377 E HN 0.383 nan 8.360 nan 0.000 0.452 378 Q N -0.114 119.754 119.800 0.113 0.000 2.119 378 Q HA -0.096 4.437 4.340 0.322 0.000 0.201 378 Q C 2.047 178.280 176.000 0.389 0.000 0.972 378 Q CA 1.607 57.554 55.803 0.241 0.000 0.847 378 Q CB -0.123 28.774 28.738 0.266 0.000 0.903 378 Q HN 0.265 nan 8.270 nan 0.000 0.433 379 T N 1.202 115.908 114.554 0.252 0.000 2.684 379 T HA -0.176 4.367 4.350 0.322 0.000 0.267 379 T C 1.491 176.442 174.700 0.419 0.000 1.036 379 T CA 1.407 63.682 62.100 0.292 0.000 1.148 379 T CB -0.145 68.753 68.868 0.051 0.000 0.863 379 T HN 0.352 nan 8.240 nan 0.000 0.436 380 E N -0.258 120.105 120.200 0.272 0.000 2.106 380 E HA -0.116 4.427 4.350 0.322 0.000 0.192 380 E C 1.965 178.738 176.600 0.287 0.000 0.984 380 E CA 0.903 57.471 56.400 0.281 0.000 0.806 380 E CB -0.233 29.581 29.700 0.191 0.000 0.750 380 E HN 0.579 nan 8.360 nan 0.000 0.458 381 Y N 0.341 120.691 120.300 0.084 0.000 2.145 381 Y HA -0.281 4.463 4.550 0.322 0.000 0.286 381 Y C 1.803 177.630 175.900 -0.121 0.000 1.145 381 Y CA 1.646 59.667 58.100 -0.132 0.000 1.148 381 Y CB -0.237 37.942 38.460 -0.468 0.000 0.981 381 Y HN 0.007 nan 8.280 nan 0.000 0.507 382 Y N -1.743 118.796 120.300 0.398 0.000 2.439 382 Y HA -0.144 4.599 4.550 0.322 0.000 0.292 382 Y C 2.096 178.106 175.900 0.182 0.000 1.130 382 Y CA 1.097 59.424 58.100 0.378 0.000 1.254 382 Y CB -0.705 38.069 38.460 0.524 0.000 1.000 382 Y HN 0.264 nan 8.280 nan 0.000 0.554 383 F N -0.363 119.639 119.950 0.087 0.000 2.163 383 F HA -0.124 4.596 4.527 0.322 0.000 0.297 383 F C 1.766 177.405 175.800 -0.269 0.000 1.094 383 F CA 1.125 58.981 58.000 -0.241 0.000 1.290 383 F CB -0.549 38.410 39.000 -0.067 0.000 1.017 383 F HN -0.059 nan 8.300 nan 0.000 0.483 384 L N -0.301 120.813 121.223 -0.182 0.000 2.141 384 L HA -0.152 4.381 4.340 0.322 0.000 0.209 384 L C 2.527 179.091 176.870 -0.511 0.000 1.094 384 L CA 1.615 56.180 54.840 -0.458 0.000 0.763 384 L CB -1.118 40.750 42.059 -0.319 0.000 0.908 384 L HN 0.046 nan 8.230 nan 0.000 0.437 385 S N -0.569 114.974 115.700 -0.261 0.000 2.368 385 S HA 0.011 4.675 4.470 0.322 0.000 0.224 385 S C 1.436 176.040 174.600 0.007 0.000 1.029 385 S CA 0.792 58.994 58.200 0.004 0.000 0.988 385 S CB -0.642 62.774 63.200 0.360 0.000 0.838 385 S HN 0.570 nan 8.310 nan 0.000 0.462 386 G N 1.974 110.585 108.800 -0.314 0.000 2.366 386 G HA2 -0.287 3.866 3.960 0.322 0.000 0.299 386 G HA3 -0.287 3.866 3.960 0.322 0.000 0.299 386 G C -0.135 174.586 174.900 -0.299 0.000 1.020 386 G CA 0.281 44.928 45.100 -0.756 0.000 1.026 386 G HN 0.462 nan 8.290 nan 0.000 0.512 387 F N 1.080 120.918 119.950 -0.186 0.000 2.412 387 F HA 0.712 5.433 4.527 0.322 0.000 0.348 387 F C 0.403 176.105 175.800 -0.163 0.000 1.102 387 F CA 0.345 58.139 58.000 -0.342 0.000 1.196 387 F CB 1.946 40.728 39.000 -0.364 0.000 1.144 387 F HN 0.208 nan 8.300 nan 0.000 0.541 388 T N 4.015 117.786 114.554 -1.305 0.000 2.885 388 T HA 0.745 5.288 4.350 0.322 0.000 0.322 388 T C -1.524 172.573 174.700 -1.005 0.000 1.387 388 T CA -0.073 61.378 62.100 -1.083 0.000 1.041 388 T CB 0.982 69.640 68.868 -0.351 0.000 1.287 388 T HN 1.107 nan 8.240 nan 0.000 0.491 402 T N 3.724 118.173 114.554 -0.174 0.000 2.809 402 T HA 0.593 5.136 4.350 0.322 0.000 0.296 402 T C -2.588 172.154 174.700 0.071 0.000 1.015 402 T CA -1.144 60.950 62.100 -0.010 0.000 0.954 402 T CB 1.359 70.209 68.868 -0.030 0.000 0.950 402 T HN 0.210 nan 8.240 nan 0.000 0.450 403 P HA 0.456 nan 4.420 nan 0.000 0.282 403 P C -0.865 176.404 177.300 -0.052 0.000 1.249 403 P CA -0.427 62.743 63.100 0.116 0.000 0.806 403 P CB 1.103 32.978 31.700 0.293 0.000 0.984 404 T N 2.313 116.701 114.554 -0.278 0.000 2.841 404 T HA 0.560 5.103 4.350 0.322 0.000 0.283 404 T C -0.912 173.581 174.700 -0.344 0.000 1.000 404 T CA -0.027 61.968 62.100 -0.175 0.000 0.977 404 T CB 0.381 69.165 68.868 -0.139 0.000 0.979 404 T HN 0.148 nan 8.240 nan 0.000 0.446 405 F N 1.787 121.739 119.950 0.002 0.000 2.496 405 F HA 0.521 5.241 4.527 0.321 0.000 0.341 405 F C 0.452 176.218 175.800 -0.057 0.000 1.134 405 F CA -0.725 57.262 58.000 -0.021 0.000 0.968 405 F CB 1.935 40.943 39.000 0.014 0.000 1.205 405 F HN 0.416 nan 8.300 nan 0.000 0.436 406 S N 3.163 118.862 115.700 -0.001 0.000 2.669 406 S HA 0.731 5.395 4.470 0.322 0.000 0.315 406 S C -0.178 174.293 174.600 -0.214 0.000 1.106 406 S CA -0.602 57.562 58.200 -0.060 0.000 1.107 406 S CB 0.400 63.573 63.200 -0.046 0.000 0.990 406 S HN 0.787 nan 8.310 nan 0.000 0.471 407 A N 3.042 125.737 122.820 -0.208 0.000 2.580 407 A HA 0.239 4.752 4.320 0.322 0.000 0.244 407 A C 1.391 178.663 177.584 -0.520 0.000 1.045 407 A CA 0.472 52.240 52.037 -0.449 0.000 0.761 407 A CB -1.305 17.416 19.000 -0.464 0.000 0.962 407 A HN 1.764 nan 8.150 nan 0.000 0.512 408 C N 0.880 119.682 119.300 -0.829 0.000 4.331 408 C HA -0.232 4.421 4.460 0.322 0.000 0.293 408 C C 0.771 175.585 174.990 -0.294 0.000 1.436 408 C CA 0.793 59.118 59.018 -1.155 0.000 1.993 408 C CB -3.252 23.907 27.740 -0.968 0.000 1.266 408 C HN 1.563 nan 8.230 nan 0.000 0.795 409 F N -2.454 117.337 119.950 -0.265 0.000 3.069 409 F HA -0.178 4.542 4.527 0.321 0.000 0.285 409 F C 1.111 177.078 175.800 0.279 0.000 0.827 409 F CA 1.585 59.623 58.000 0.063 0.000 1.108 409 F CB -1.586 37.557 39.000 0.237 0.000 1.252 409 F HN 0.801 nan 8.300 nan 0.000 0.483 410 G N -1.552 107.380 108.800 0.219 0.000 5.061 410 G HA2 0.527 4.680 3.960 0.322 0.000 0.213 410 G HA3 0.527 4.680 3.960 0.322 0.000 0.213 410 G C 0.602 175.427 174.900 -0.124 0.000 1.463 410 G CA 0.081 45.314 45.100 0.222 0.000 0.617 410 G HN 0.581 nan 8.290 nan 0.000 0.289 411 A N 0.598 123.321 122.820 -0.161 0.000 1.948 411 A HA 0.159 4.672 4.320 0.322 0.000 0.220 411 A C 2.666 180.082 177.584 -0.281 0.000 1.177 411 A CA 2.638 54.577 52.037 -0.163 0.000 0.636 411 A CB -0.303 18.655 19.000 -0.069 0.000 0.815 411 A HN 1.435 nan 8.150 nan 0.000 0.449 412 A N -1.763 120.704 122.820 -0.589 0.000 2.172 412 A HA 0.171 4.684 4.320 0.322 0.000 0.216 412 A C 1.192 178.306 177.584 -0.782 0.000 1.154 412 A CA 1.155 52.728 52.037 -0.773 0.000 0.701 412 A CB -0.559 17.834 19.000 -1.011 0.000 0.789 412 A HN 0.534 nan 8.150 nan 0.000 0.465 413 F N -1.090 118.800 119.950 -0.099 0.000 2.683 413 F HA 0.362 5.081 4.527 0.320 0.000 0.306 413 F C 0.093 175.737 175.800 -0.260 0.000 1.102 413 F CA -0.880 57.002 58.000 -0.196 0.000 1.244 413 F CB -0.164 38.668 39.000 -0.281 0.000 1.029 413 F HN -0.097 nan 8.300 nan 0.000 0.545 414 L N 0.649 121.819 121.223 -0.088 0.000 2.363 414 L HA 0.211 4.744 4.340 0.322 0.000 0.286 414 L C 1.151 178.141 176.870 0.199 0.000 1.106 414 L CA -0.081 54.758 54.840 -0.001 0.000 0.859 414 L CB 0.676 42.748 42.059 0.022 0.000 1.223 414 L HN 0.073 nan 8.230 nan 0.000 0.446 415 S N 2.989 118.800 115.700 0.184 0.000 2.461 415 S HA 0.176 4.839 4.470 0.322 0.000 0.228 415 S C 0.751 175.471 174.600 0.199 0.000 1.005 415 S CA 0.437 58.705 58.200 0.112 0.000 0.942 415 S CB 0.086 63.320 63.200 0.057 0.000 0.776 415 S HN 0.389 nan 8.310 nan 0.000 0.514 416 L N 0.053 121.443 121.223 0.278 0.000 2.298 416 L HA 0.453 4.987 4.340 0.322 0.000 0.268 416 L C 0.464 177.370 176.870 0.060 0.000 1.010 416 L CA -1.081 53.815 54.840 0.094 0.000 0.812 416 L CB 0.428 42.330 42.059 -0.262 0.000 1.331 416 L HN 0.208 nan 8.230 nan 0.000 0.450 417 H N 1.053 119.939 119.070 -0.307 0.000 2.732 417 H HA 0.070 4.819 4.556 0.322 0.000 0.351 417 H C -1.978 173.061 175.328 -0.481 0.000 1.090 417 H CA -1.187 54.366 56.048 -0.825 0.000 1.431 417 H CB 1.935 31.306 29.762 -0.652 0.000 1.447 417 H HN 0.238 nan 8.280 nan 0.000 0.582 418 P HA -0.211 nan 4.420 nan 0.000 0.216 418 P C 1.624 178.930 177.300 0.009 0.000 1.154 418 P CA 1.156 64.037 63.100 -0.365 0.000 0.865 418 P CB 0.103 31.361 31.700 -0.736 0.000 0.789 419 I N -0.596 120.073 120.570 0.165 0.000 2.423 419 I HA -0.256 4.107 4.170 0.322 0.000 0.254 419 I C 2.022 178.161 176.117 0.037 0.000 1.151 419 I CA 1.679 63.050 61.300 0.118 0.000 1.421 419 I CB -0.699 37.336 38.000 0.059 0.000 1.079 419 I HN -0.018 nan 8.210 nan 0.000 0.431 420 Q N -1.210 118.548 119.800 -0.070 0.000 2.167 420 Q HA -0.203 4.330 4.340 0.322 0.000 0.202 420 Q C 2.040 177.914 176.000 -0.210 0.000 0.970 420 Q CA 1.725 57.404 55.803 -0.207 0.000 0.855 420 Q CB -0.250 28.270 28.738 -0.362 0.000 0.911 420 Q HN 0.554 nan 8.270 nan 0.000 0.438 421 Y N 0.017 120.361 120.300 0.072 0.000 2.263 421 Y HA -0.106 4.637 4.550 0.322 0.000 0.292 421 Y C 2.406 178.470 175.900 0.273 0.000 1.130 421 Y CA 0.884 59.105 58.100 0.201 0.000 1.179 421 Y CB -0.469 38.158 38.460 0.280 0.000 0.998 421 Y HN 0.113 nan 8.280 nan 0.000 0.532 422 A N 0.178 123.265 122.820 0.445 0.000 1.902 422 A HA -0.182 4.331 4.320 0.322 0.000 0.217 422 A C 1.854 179.498 177.584 0.100 0.000 1.181 422 A CA 2.024 54.253 52.037 0.320 0.000 0.623 422 A CB -0.709 18.507 19.000 0.361 0.000 0.818 422 A HN 0.326 nan 8.150 nan 0.000 0.443 423 D N -0.640 119.798 120.400 0.064 0.000 2.097 423 D HA -0.122 4.711 4.640 0.322 0.000 0.195 423 D C 2.009 178.285 176.300 -0.039 0.000 0.989 423 D CA 1.510 55.510 54.000 -0.001 0.000 0.827 423 D CB -0.627 40.159 40.800 -0.024 0.000 0.966 423 D HN 0.177 nan 8.370 nan 0.000 0.456 424 V N 0.743 120.635 119.914 -0.037 0.000 2.515 424 V HA -0.163 4.151 4.120 0.322 0.000 0.250 424 V C 2.265 178.298 176.094 -0.101 0.000 1.058 424 V CA 1.116 63.375 62.300 -0.068 0.000 1.064 424 V CB -0.250 31.546 31.823 -0.045 0.000 0.675 424 V HN 0.101 nan 8.190 nan 0.000 0.461 425 L N -0.012 121.181 121.223 -0.050 0.000 2.017 425 L HA -0.078 4.455 4.340 0.322 0.000 0.208 425 L C 2.398 179.169 176.870 -0.164 0.000 1.073 425 L CA 2.491 57.278 54.840 -0.088 0.000 0.745 425 L CB -0.754 41.204 42.059 -0.168 0.000 0.894 425 L HN 0.170 nan 8.230 nan 0.000 0.432 426 V N -0.046 119.795 119.914 -0.122 0.000 2.515 426 V HA -0.239 4.075 4.120 0.322 0.000 0.250 426 V C 2.504 178.507 176.094 -0.150 0.000 1.058 426 V CA 1.875 64.108 62.300 -0.111 0.000 1.064 426 V CB -0.696 31.092 31.823 -0.058 0.000 0.675 426 V HN 0.523 nan 8.190 nan 0.000 0.461 427 E N -0.332 119.770 120.200 -0.164 0.000 2.077 427 E HA -0.181 4.362 4.350 0.322 0.000 0.193 427 E C 2.510 178.939 176.600 -0.285 0.000 0.989 427 E CA 0.825 57.118 56.400 -0.179 0.000 0.800 427 E CB -0.139 29.472 29.700 -0.149 0.000 0.746 427 E HN 0.390 nan 8.360 nan 0.000 0.452 428 R N 0.311 120.531 120.500 -0.467 0.000 2.092 428 R HA -0.016 4.517 4.340 0.322 0.000 0.231 428 R C 2.236 178.100 176.300 -0.726 0.000 1.119 428 R CA 1.060 56.651 56.100 -0.847 0.000 0.970 428 R CB -0.445 28.840 30.300 -1.691 0.000 0.864 428 R HN 0.300 nan 8.270 nan 0.000 0.440 429 M N 0.478 119.792 119.600 -0.477 0.000 2.117 429 M HA -0.172 4.501 4.480 0.322 0.000 0.262 429 M C 2.125 178.381 176.300 -0.074 0.000 1.065 429 M CA 1.751 56.996 55.300 -0.093 0.000 1.114 429 M CB -0.277 32.311 32.600 -0.019 0.000 1.361 429 M HN 0.014 nan 8.290 nan 0.000 0.408 430 K N 0.246 120.574 120.400 -0.120 0.000 2.097 430 K HA -0.099 4.414 4.320 0.322 0.000 0.206 430 K C 2.050 178.597 176.600 -0.088 0.000 1.049 430 K CA 1.445 57.680 56.287 -0.088 0.000 0.933 430 K CB -0.273 32.173 32.500 -0.089 0.000 0.717 430 K HN 0.308 nan 8.250 nan 0.000 0.442 431 A N 1.141 123.880 122.820 -0.136 0.000 1.969 431 A HA -0.125 4.388 4.320 0.322 0.000 0.218 431 A C 1.998 179.516 177.584 -0.111 0.000 1.169 431 A CA 1.937 53.892 52.037 -0.137 0.000 0.635 431 A CB -0.291 18.590 19.000 -0.198 0.000 0.810 431 A HN 0.368 nan 8.150 nan 0.000 0.445 432 S N -2.449 113.218 115.700 -0.055 0.000 2.540 432 S HA 0.415 5.078 4.470 0.322 0.000 0.218 432 S C 1.228 175.864 174.600 0.060 0.000 0.977 432 S CA 0.947 59.166 58.200 0.032 0.000 0.918 432 S CB -0.129 63.206 63.200 0.225 0.000 0.806 432 S HN 1.880 nan 8.310 nan 0.000 0.496 433 G N 1.164 109.980 108.800 0.027 0.000 2.176 433 G HA2 -0.100 4.053 3.960 0.322 0.000 0.252 433 G HA3 -0.100 4.053 3.960 0.322 0.000 0.252 433 G C 0.281 175.206 174.900 0.041 0.000 1.024 433 G CA -0.017 45.097 45.100 0.022 0.000 0.755 433 G HN 1.263 nan 8.290 nan 0.000 0.507 434 A N -0.602 122.263 122.820 0.075 0.000 2.351 434 A HA 0.670 5.183 4.320 0.322 0.000 0.257 434 A C 0.449 178.027 177.584 -0.010 0.000 1.087 434 A CA 0.001 52.087 52.037 0.082 0.000 0.798 434 A CB 0.564 19.692 19.000 0.213 0.000 1.033 434 A HN 0.333 nan 8.150 nan 0.000 0.488 435 E N -0.276 119.889 120.200 -0.057 0.000 2.227 435 E HA 0.619 5.162 4.350 0.322 0.000 0.268 435 E C -0.626 175.724 176.600 -0.416 0.000 0.907 435 E CA -0.545 55.705 56.400 -0.251 0.000 0.786 435 E CB 2.192 31.718 29.700 -0.291 0.000 1.191 435 E HN 0.751 nan 8.360 nan 0.000 0.411 436 A N 2.236 124.696 122.820 -0.600 0.000 2.337 436 A HA 0.723 5.236 4.320 0.322 0.000 0.329 436 A C -1.456 175.618 177.584 -0.851 0.000 1.146 436 A CA -0.515 51.142 52.037 -0.633 0.000 0.800 436 A CB 0.561 19.207 19.000 -0.591 0.000 1.220 436 A HN 0.528 nan 8.150 nan 0.000 0.472 437 Y N 0.523 120.645 120.300 -0.297 0.000 2.477 437 Y HA 0.556 5.299 4.550 0.322 0.000 0.347 437 Y C -0.450 175.373 175.900 -0.128 0.000 0.981 437 Y CA -0.900 57.097 58.100 -0.172 0.000 1.033 437 Y CB 2.068 40.458 38.460 -0.117 0.000 1.245 437 Y HN 0.584 nan 8.280 nan 0.000 0.455 438 L N 3.706 124.989 121.223 0.100 0.000 2.265 438 L HA 0.731 5.264 4.340 0.322 0.000 0.289 438 L C -1.307 175.653 176.870 0.150 0.000 1.033 438 L CA -0.574 54.360 54.840 0.157 0.000 0.814 438 L CB 0.881 42.967 42.059 0.044 0.000 1.203 438 L HN 0.475 nan 8.230 nan 0.000 0.423 439 V N 5.011 125.039 119.914 0.189 0.000 2.409 439 V HA 0.423 4.736 4.120 0.322 0.000 0.291 439 V C -0.323 175.864 176.094 0.155 0.000 1.020 439 V CA -0.730 61.655 62.300 0.141 0.000 0.848 439 V CB 1.582 33.478 31.823 0.121 0.000 0.990 439 V HN 0.805 nan 8.190 nan 0.000 0.430 440 N N 3.077 121.853 118.700 0.127 0.000 2.462 440 N HA 0.183 5.116 4.740 0.322 0.000 0.242 440 N C 0.841 176.400 175.510 0.081 0.000 1.010 440 N CA -0.020 53.114 53.050 0.140 0.000 0.939 440 N CB 1.543 40.128 38.487 0.163 0.000 1.127 440 N HN 0.739 nan 8.380 nan 0.000 0.509 441 T N -0.141 114.445 114.554 0.054 0.000 3.163 441 T HA 0.308 4.851 4.350 0.322 0.000 0.252 441 T C 1.030 175.648 174.700 -0.137 0.000 1.056 441 T CA -0.122 61.961 62.100 -0.029 0.000 0.947 441 T CB -0.022 68.831 68.868 -0.024 0.000 1.016 441 T HN 0.321 nan 8.240 nan 0.000 0.554 442 G N 0.226 108.985 108.800 -0.068 0.000 2.928 442 G HA2 0.475 4.628 3.960 0.322 0.000 0.163 442 G HA3 0.475 4.628 3.960 0.322 0.000 0.163 442 G C -0.315 174.440 174.900 -0.242 0.000 1.573 442 G CA -0.983 43.995 45.100 -0.203 0.000 1.084 442 G HN 0.442 nan 8.290 nan 0.000 0.569 443 W N 0.481 121.841 121.300 0.100 0.000 2.390 443 W HA 0.428 5.280 4.660 0.321 0.000 0.362 443 W C 0.104 176.704 176.519 0.135 0.000 1.206 443 W CA -0.235 57.168 57.345 0.096 0.000 1.355 443 W CB 1.286 30.799 29.460 0.088 0.000 1.278 443 W HN 0.663 nan 8.180 nan 0.000 0.653 444 N N -1.773 117.131 118.700 0.339 0.000 3.418 444 N HA 0.263 5.196 4.740 0.322 0.000 0.316 444 N C 0.751 176.287 175.510 0.044 0.000 1.601 444 N CA -0.188 53.018 53.050 0.260 0.000 0.805 444 N CB -0.245 38.343 38.487 0.168 0.000 1.873 444 N HN 0.350 nan 8.380 nan 0.000 0.615 445 G N -1.058 107.549 108.800 -0.323 0.000 2.499 445 G HA2 -0.264 3.889 3.960 0.322 0.000 0.221 445 G HA3 -0.264 3.889 3.960 0.322 0.000 0.221 445 G C 1.105 175.756 174.900 -0.414 0.000 1.109 445 G CA 1.902 46.370 45.100 -1.053 0.000 0.749 445 G HN 0.908 nan 8.290 nan 0.000 0.568 446 T N -2.712 111.746 114.554 -0.161 0.000 3.035 446 T HA 0.302 4.845 4.350 0.322 0.000 0.268 446 T C 2.078 176.780 174.700 0.004 0.000 1.109 446 T CA 0.989 63.051 62.100 -0.063 0.000 1.119 446 T CB -0.156 68.699 68.868 -0.022 0.000 0.900 446 T HN 1.362 nan 8.240 nan 0.000 0.503 447 G N 0.906 109.743 108.800 0.061 0.000 2.176 447 G HA2 -0.214 3.939 3.960 0.322 0.000 0.253 447 G HA3 -0.214 3.939 3.960 0.322 0.000 0.253 447 G C 0.019 175.110 174.900 0.318 0.000 0.979 447 G CA 0.389 45.575 45.100 0.144 0.000 0.641 447 G HN 0.698 nan 8.290 nan 0.000 0.530 448 K N -0.290 120.265 120.400 0.259 0.000 2.395 448 K HA 0.578 5.091 4.320 0.322 0.000 0.245 448 K C 0.372 176.907 176.600 -0.108 0.000 1.017 448 K CA -1.097 55.293 56.287 0.171 0.000 0.852 448 K CB 1.635 34.163 32.500 0.047 0.000 1.311 448 K HN 0.153 nan 8.250 nan 0.000 0.452 449 R N 0.821 121.036 120.500 -0.476 0.000 2.641 449 R HA 0.212 4.746 4.340 0.322 0.000 0.269 449 R C 0.618 176.750 176.300 -0.281 0.000 1.074 449 R CA -0.400 55.311 56.100 -0.649 0.000 1.133 449 R CB 0.367 30.194 30.300 -0.789 0.000 1.029 449 R HN 0.582 nan 8.270 nan 0.000 0.488 450 I N 1.287 121.728 120.570 -0.215 0.000 2.813 450 I HA -0.085 4.278 4.170 0.322 0.000 0.287 450 I C 0.529 176.578 176.117 -0.114 0.000 1.196 450 I CA 0.297 61.530 61.300 -0.112 0.000 1.421 450 I CB 0.775 38.732 38.000 -0.071 0.000 1.365 450 I HN 0.735 nan 8.210 nan 0.000 0.591 451 S N 6.433 122.087 115.700 -0.077 0.000 2.576 451 S HA 0.066 4.729 4.470 0.322 0.000 0.276 451 S C 1.048 175.610 174.600 -0.065 0.000 1.339 451 S CA -0.486 57.672 58.200 -0.070 0.000 1.039 451 S CB 1.212 64.381 63.200 -0.051 0.000 0.902 451 S HN 0.769 nan 8.310 nan 0.000 0.516 452 I N 1.371 121.903 120.570 -0.065 0.000 2.454 452 I HA -0.142 4.221 4.170 0.322 0.000 0.254 452 I C 2.500 178.589 176.117 -0.046 0.000 1.156 452 I CA 1.251 62.516 61.300 -0.057 0.000 1.433 452 I CB -0.151 37.814 38.000 -0.057 0.000 1.082 452 I HN 0.811 nan 8.210 nan 0.000 0.432 453 K N 0.759 121.134 120.400 -0.042 0.000 2.057 453 K HA -0.206 4.307 4.320 0.322 0.000 0.206 453 K C 1.468 178.048 176.600 -0.033 0.000 1.050 453 K CA 1.868 58.133 56.287 -0.035 0.000 0.935 453 K CB -0.306 32.174 32.500 -0.032 0.000 0.715 453 K HN 0.363 nan 8.250 nan 0.000 0.439 454 D N 0.164 120.544 120.400 -0.034 0.000 2.149 454 D HA -0.095 4.738 4.640 0.322 0.000 0.201 454 D C 1.870 178.153 176.300 -0.029 0.000 0.972 454 D CA 1.835 55.818 54.000 -0.030 0.000 0.835 454 D CB -0.052 40.731 40.800 -0.028 0.000 0.966 454 D HN 0.491 nan 8.370 nan 0.000 0.476 455 T N -0.925 113.610 114.554 -0.031 0.000 2.821 455 T HA -0.060 4.483 4.350 0.322 0.000 0.267 455 T C 2.022 176.712 174.700 -0.018 0.000 1.046 455 T CA 0.556 62.642 62.100 -0.022 0.000 1.139 455 T CB -0.119 68.733 68.868 -0.026 0.000 0.871 455 T HN 0.026 nan 8.240 nan 0.000 0.454 456 R N 0.860 121.345 120.500 -0.025 0.000 2.092 456 R HA 0.082 4.615 4.340 0.322 0.000 0.231 456 R C 2.962 179.247 176.300 -0.025 0.000 1.119 456 R CA 1.198 57.284 56.100 -0.023 0.000 0.970 456 R CB -0.811 29.471 30.300 -0.030 0.000 0.864 456 R HN 0.579 nan 8.270 nan 0.000 0.440 457 G N 1.052 109.834 108.800 -0.029 0.000 2.422 457 G HA2 -0.212 3.941 3.960 0.322 0.000 0.218 457 G HA3 -0.212 3.941 3.960 0.322 0.000 0.218 457 G C 1.438 176.312 174.900 -0.043 0.000 1.146 457 G CA 0.442 45.522 45.100 -0.034 0.000 0.769 457 G HN 0.152 nan 8.290 nan 0.000 0.547 458 I N 0.748 121.293 120.570 -0.042 0.000 2.202 458 I HA -0.118 4.245 4.170 0.322 0.000 0.242 458 I C 2.513 178.581 176.117 -0.083 0.000 1.091 458 I CA 0.554 61.818 61.300 -0.060 0.000 1.368 458 I CB -0.100 37.876 38.000 -0.040 0.000 1.058 458 I HN 0.067 nan 8.210 nan 0.000 0.410 459 I N 0.595 121.140 120.570 -0.041 0.000 2.286 459 I HA -0.274 4.089 4.170 0.322 0.000 0.248 459 I C 2.120 178.208 176.117 -0.048 0.000 1.115 459 I CA 1.605 62.891 61.300 -0.023 0.000 1.392 459 I CB -1.337 36.706 38.000 0.072 0.000 1.065 459 I HN 0.267 nan 8.210 nan 0.000 0.418 460 D N 1.200 121.575 120.400 -0.041 0.000 2.117 460 D HA -0.120 4.713 4.640 0.322 0.000 0.197 460 D C 2.258 178.515 176.300 -0.072 0.000 0.987 460 D CA 1.597 55.571 54.000 -0.044 0.000 0.829 460 D CB -0.010 40.769 40.800 -0.036 0.000 0.961 460 D HN 0.310 nan 8.370 nan 0.000 0.460 461 A N 0.376 123.141 122.820 -0.092 0.000 1.969 461 A HA -0.083 4.430 4.320 0.322 0.000 0.218 461 A C 2.347 179.823 177.584 -0.180 0.000 1.169 461 A CA 0.652 52.622 52.037 -0.112 0.000 0.635 461 A CB -0.506 18.432 19.000 -0.104 0.000 0.810 461 A HN 0.177 nan 8.150 nan 0.000 0.445 462 I N -0.420 119.992 120.570 -0.263 0.000 2.193 462 I HA -0.210 4.153 4.170 0.322 0.000 0.240 462 I C 2.293 178.266 176.117 -0.240 0.000 1.084 462 I CA 1.005 62.041 61.300 -0.439 0.000 1.365 462 I CB -0.267 37.375 38.000 -0.597 0.000 1.064 462 I HN 0.270 nan 8.210 nan 0.000 0.410 463 L N 0.803 121.936 121.223 -0.152 0.000 2.083 463 L HA -0.204 4.329 4.340 0.322 0.000 0.209 463 L C 1.890 178.725 176.870 -0.058 0.000 1.083 463 L CA 1.423 56.213 54.840 -0.084 0.000 0.752 463 L CB -0.788 41.249 42.059 -0.037 0.000 0.899 463 L HN 0.446 nan 8.230 nan 0.000 0.433 464 D N -1.002 119.362 120.400 -0.060 0.000 2.339 464 D HA 0.050 4.883 4.640 0.322 0.000 0.217 464 D C 1.463 177.742 176.300 -0.036 0.000 1.050 464 D CA 0.724 54.700 54.000 -0.040 0.000 0.856 464 D CB 0.286 41.066 40.800 -0.034 0.000 0.922 464 D HN 0.243 nan 8.370 nan 0.000 0.518 465 G N 0.234 109.004 108.800 -0.050 0.000 2.179 465 G HA2 -0.380 3.773 3.960 0.322 0.000 0.260 465 G HA3 -0.380 3.773 3.960 0.322 0.000 0.260 465 G C 1.290 176.174 174.900 -0.028 0.000 0.977 465 G CA 0.937 46.020 45.100 -0.029 0.000 0.641 465 G HN 0.687 nan 8.290 nan 0.000 0.533 466 S N -0.123 115.552 115.700 -0.042 0.000 2.419 466 S HA 0.025 4.689 4.470 0.322 0.000 0.233 466 S C 2.238 176.820 174.600 -0.031 0.000 1.016 466 S CA 1.363 59.544 58.200 -0.032 0.000 0.974 466 S CB -0.179 63.000 63.200 -0.036 0.000 0.786 466 S HN 1.025 nan 8.310 nan 0.000 0.492 467 I N 1.466 122.002 120.570 -0.055 0.000 2.454 467 I HA -0.136 4.227 4.170 0.322 0.000 0.254 467 I C 1.871 178.002 176.117 0.023 0.000 1.156 467 I CA 1.434 62.711 61.300 -0.038 0.000 1.433 467 I CB -0.113 37.816 38.000 -0.118 0.000 1.082 467 I HN 0.166 nan 8.210 nan 0.000 0.432 468 E N 0.830 121.050 120.200 0.034 0.000 2.482 468 E HA -0.129 4.414 4.350 0.322 0.000 0.196 468 E C 1.508 178.123 176.600 0.026 0.000 1.047 468 E CA 0.648 57.079 56.400 0.052 0.000 0.869 468 E CB 0.064 29.798 29.700 0.057 0.000 0.836 468 E HN 0.583 nan 8.360 nan 0.000 0.520 469 K N -0.004 120.404 120.400 0.012 0.000 2.353 469 K HA 0.240 4.753 4.320 0.322 0.000 0.195 469 K C 0.617 177.219 176.600 0.003 0.000 1.031 469 K CA -0.064 56.226 56.287 0.006 0.000 1.079 469 K CB 0.997 33.497 32.500 -0.000 0.000 0.857 469 K HN -0.082 nan 8.250 nan 0.000 0.535 470 A N 1.883 124.706 122.820 0.005 0.000 2.371 470 A HA 0.129 4.642 4.320 0.322 0.000 0.257 470 A C -0.344 177.243 177.584 0.005 0.000 1.089 470 A CA -0.284 51.755 52.037 0.002 0.000 0.794 470 A CB 0.225 19.225 19.000 0.001 0.000 1.029 470 A HN 0.182 nan 8.150 nan 0.000 0.488 471 E N 1.126 121.326 120.200 0.001 0.000 2.354 471 E HA 0.286 4.829 4.350 0.322 0.000 0.269 471 E C -0.482 176.119 176.600 0.001 0.000 1.036 471 E CA -0.046 56.354 56.400 0.000 0.000 0.876 471 E CB 0.567 30.265 29.700 -0.003 0.000 1.009 471 E HN 0.500 nan 8.360 nan 0.000 0.416 472 M N 1.613 121.214 119.600 0.002 0.000 2.508 472 M HA 0.445 5.118 4.480 0.322 0.000 0.327 472 M C 0.286 176.585 176.300 -0.002 0.000 1.160 472 M CA -0.539 54.763 55.300 0.003 0.000 0.980 472 M CB 1.512 34.117 32.600 0.008 0.000 1.693 472 M HN 0.624 nan 8.290 nan 0.000 0.452 473 G N 0.626 109.423 108.800 -0.005 0.000 3.016 473 G HA2 0.676 4.829 3.960 0.322 0.000 0.270 473 G HA3 0.676 4.829 3.960 0.322 0.000 0.270 473 G C -1.503 173.394 174.900 -0.006 0.000 1.352 473 G CA -0.352 44.742 45.100 -0.010 0.000 1.060 473 G HN 0.669 nan 8.290 nan 0.000 0.538 474 E N -0.761 119.434 120.200 -0.008 0.000 2.275 474 E HA 0.387 4.930 4.350 0.322 0.000 0.270 474 E C -1.580 175.023 176.600 0.005 0.000 0.882 474 E CA -0.734 55.668 56.400 0.005 0.000 0.758 474 E CB 2.392 32.097 29.700 0.008 0.000 1.195 474 E HN 0.286 nan 8.360 nan 0.000 0.419 475 L N 6.014 127.255 121.223 0.029 0.000 2.331 475 L HA 0.422 4.955 4.340 0.322 0.000 0.278 475 L C -2.487 174.464 176.870 0.135 0.000 1.106 475 L CA -1.442 53.428 54.840 0.050 0.000 0.824 475 L CB 0.780 42.891 42.059 0.087 0.000 1.142 475 L HN 0.435 nan 8.230 nan 0.000 0.443 476 P HA 0.313 nan 4.420 nan 0.000 0.273 476 P C 0.794 178.270 177.300 0.294 0.000 1.250 476 P CA -0.072 63.139 63.100 0.184 0.000 0.793 476 P CB 0.544 32.348 31.700 0.174 0.000 1.011 477 I N -3.203 117.442 120.570 0.124 0.000 4.519 477 I HA -0.429 3.934 4.170 0.322 0.000 0.056 477 I C 1.312 177.294 176.117 -0.224 0.000 0.610 477 I CA 1.606 62.871 61.300 -0.059 0.000 0.951 477 I CB -1.361 36.608 38.000 -0.053 0.000 0.858 477 I HN 0.274 nan 8.210 nan 0.000 0.164 478 F N 0.849 120.815 119.950 0.025 0.000 2.698 478 F HA 0.177 4.897 4.527 0.322 0.000 0.295 478 F C 1.226 177.015 175.800 -0.019 0.000 1.124 478 F CA 1.127 59.114 58.000 -0.022 0.000 1.426 478 F CB -0.293 38.702 39.000 -0.008 0.000 1.120 478 F HN 0.185 nan 8.300 nan 0.000 0.583 479 N N 0.867 119.660 118.700 0.155 0.000 2.738 479 N HA -0.203 4.730 4.740 0.322 0.000 0.249 479 N C -1.062 174.494 175.510 0.077 0.000 1.047 479 N CA 0.025 53.120 53.050 0.076 0.000 0.707 479 N CB -1.573 36.921 38.487 0.012 0.000 0.937 479 N HN 0.190 nan 8.380 nan 0.000 0.545 480 L N 0.341 121.624 121.223 0.099 0.000 2.275 480 L HA 0.630 5.163 4.340 0.322 0.000 0.288 480 L C 0.742 177.630 176.870 0.030 0.000 1.046 480 L CA -0.840 54.033 54.840 0.054 0.000 0.805 480 L CB 1.326 43.404 42.059 0.032 0.000 1.193 480 L HN 0.242 nan 8.230 nan 0.000 0.426 481 A N 6.069 128.898 122.820 0.016 0.000 2.451 481 A HA 0.540 5.053 4.320 0.322 0.000 0.266 481 A C -0.214 177.382 177.584 0.018 0.000 1.119 481 A CA -0.188 51.856 52.037 0.012 0.000 0.786 481 A CB -0.288 18.715 19.000 0.006 0.000 1.061 481 A HN 0.695 nan 8.150 nan 0.000 0.503 482 I N 0.982 121.560 120.570 0.014 0.000 2.509 482 I HA 0.643 5.006 4.170 0.322 0.000 0.293 482 I C -2.698 173.426 176.117 0.011 0.000 1.020 482 I CA -2.876 58.433 61.300 0.014 0.000 1.088 482 I CB 2.679 40.680 38.000 0.001 0.000 1.267 482 I HN 0.337 nan 8.210 nan 0.000 0.430 483 P HA 0.204 nan 4.420 nan 0.000 0.275 483 P C -0.597 176.701 177.300 -0.004 0.000 1.228 483 P CA -0.347 62.757 63.100 0.007 0.000 0.786 483 P CB 1.473 33.177 31.700 0.007 0.000 0.927 484 K N 0.796 121.192 120.400 -0.006 0.000 2.400 484 K HA 0.334 4.847 4.320 0.322 0.000 0.194 484 K C 0.623 177.217 176.600 -0.011 0.000 1.033 484 K CA 0.365 56.645 56.287 -0.011 0.000 1.021 484 K CB 0.339 32.833 32.500 -0.011 0.000 0.808 484 K HN 0.579 nan 8.250 nan 0.000 0.505 485 A N 0.838 123.652 122.820 -0.011 0.000 2.594 485 A HA 0.621 5.134 4.320 0.322 0.000 0.296 485 A C -1.791 175.783 177.584 -0.016 0.000 1.056 485 A CA -0.795 51.234 52.037 -0.013 0.000 0.693 485 A CB 1.118 20.110 19.000 -0.012 0.000 1.278 485 A HN 0.059 nan 8.150 nan 0.000 0.408 486 L N 0.985 122.196 121.223 -0.020 0.000 2.434 486 L HA 0.510 5.043 4.340 0.322 0.000 0.260 486 L C -2.645 174.210 176.870 -0.025 0.000 0.983 486 L CA -2.122 52.702 54.840 -0.027 0.000 0.820 486 L CB 2.804 44.842 42.059 -0.035 0.000 1.361 486 L HN 0.456 nan 8.230 nan 0.000 0.410 487 P HA 0.126 nan 4.420 nan 0.000 0.262 487 P C 0.733 178.018 177.300 -0.025 0.000 1.199 487 P CA 0.641 63.726 63.100 -0.024 0.000 0.763 487 P CB 0.624 32.309 31.700 -0.025 0.000 0.790 488 G N 1.739 110.526 108.800 -0.022 0.000 2.184 488 G HA2 -0.221 3.932 3.960 0.322 0.000 0.264 488 G HA3 -0.221 3.932 3.960 0.322 0.000 0.264 488 G C 0.131 175.018 174.900 -0.022 0.000 0.975 488 G CA -0.025 45.062 45.100 -0.022 0.000 0.642 488 G HN 0.527 nan 8.290 nan 0.000 0.536 489 V N 1.025 120.925 119.914 -0.023 0.000 2.532 489 V HA 0.477 4.790 4.120 0.322 0.000 0.295 489 V C 0.359 176.442 176.094 -0.018 0.000 1.041 489 V CA -0.865 61.422 62.300 -0.022 0.000 0.926 489 V CB 1.850 33.659 31.823 -0.024 0.000 0.992 489 V HN 0.303 nan 8.190 nan 0.000 0.457 490 D N 6.695 127.084 120.400 -0.017 0.000 2.382 490 D HA 0.083 4.916 4.640 0.322 0.000 0.259 490 D C -1.119 175.174 176.300 -0.012 0.000 1.224 490 D CA -1.606 52.386 54.000 -0.014 0.000 0.894 490 D CB 1.617 42.409 40.800 -0.014 0.000 1.127 490 D HN 0.292 nan 8.370 nan 0.000 0.487 491 P HA -0.100 nan 4.420 nan 0.000 0.225 491 P C 0.809 178.102 177.300 -0.010 0.000 1.148 491 P CA 0.507 63.599 63.100 -0.012 0.000 0.779 491 P CB 0.220 31.913 31.700 -0.012 0.000 0.780 492 A N 0.399 123.214 122.820 -0.009 0.000 2.168 492 A HA -0.026 4.487 4.320 0.322 0.000 0.215 492 A C 2.071 179.654 177.584 -0.002 0.000 1.152 492 A CA 0.761 52.794 52.037 -0.006 0.000 0.716 492 A CB -1.227 17.770 19.000 -0.005 0.000 0.794 492 A HN 0.407 nan 8.150 nan 0.000 0.465 493 I N -4.573 115.996 120.570 -0.001 0.000 3.854 493 I HA 0.163 4.526 4.170 0.322 0.000 0.312 493 I C 1.582 177.706 176.117 0.012 0.000 1.273 493 I CA 0.199 61.505 61.300 0.010 0.000 1.298 493 I CB -0.141 37.864 38.000 0.008 0.000 1.071 493 I HN 0.076 nan 8.210 nan 0.000 0.428 494 L N 1.189 122.412 121.223 -0.000 0.000 2.079 494 L HA -0.104 4.430 4.340 0.322 0.000 0.210 494 L C 0.855 177.719 176.870 -0.010 0.000 1.081 494 L CA 1.292 56.130 54.840 -0.003 0.000 0.752 494 L CB -0.588 41.465 42.059 -0.009 0.000 0.896 494 L HN 0.363 nan 8.230 nan 0.000 0.433 495 D N 0.238 120.621 120.400 -0.028 0.000 2.412 495 D HA 0.117 4.950 4.640 0.322 0.000 0.224 495 D C -1.580 174.680 176.300 -0.066 0.000 1.093 495 D CA -2.335 51.623 54.000 -0.070 0.000 0.850 495 D CB 1.596 42.339 40.800 -0.095 0.000 1.046 495 D HN -0.078 nan 8.370 nan 0.000 0.507 496 P HA -0.164 nan 4.420 nan 0.000 0.218 496 P C 1.078 178.383 177.300 0.008 0.000 1.146 496 P CA 0.761 63.895 63.100 0.057 0.000 0.813 496 P CB 0.454 32.270 31.700 0.193 0.000 0.778 497 R N -0.214 120.071 120.500 -0.359 0.000 2.152 497 R HA -0.091 4.442 4.340 0.322 0.000 0.232 497 R C 1.774 178.063 176.300 -0.018 0.000 1.117 497 R CA 1.269 57.137 56.100 -0.386 0.000 0.981 497 R CB -0.617 29.311 30.300 -0.620 0.000 0.870 497 R HN 0.186 nan 8.270 nan 0.000 0.451 498 D N -0.254 120.132 120.400 -0.023 0.000 2.310 498 D HA -0.093 4.740 4.640 0.322 0.000 0.212 498 D C 1.558 177.896 176.300 0.063 0.000 0.965 498 D CA 1.432 55.443 54.000 0.018 0.000 0.879 498 D CB -0.050 40.744 40.800 -0.009 0.000 0.921 498 D HN 0.348 nan 8.370 nan 0.000 0.510 499 T N -2.737 111.882 114.554 0.108 0.000 3.144 499 T HA 0.021 4.564 4.350 0.322 0.000 0.249 499 T C 0.248 174.910 174.700 -0.064 0.000 1.089 499 T CA -0.235 61.878 62.100 0.022 0.000 0.989 499 T CB -0.368 68.492 68.868 -0.014 0.000 0.992 499 T HN -0.079 nan 8.240 nan 0.000 0.540 500 Y N 0.589 120.927 120.300 0.062 0.000 2.328 500 Y HA 0.695 5.438 4.550 0.322 0.000 0.337 500 Y C 1.374 177.312 175.900 0.063 0.000 0.966 500 Y CA -1.121 57.033 58.100 0.090 0.000 1.136 500 Y CB 1.432 39.980 38.460 0.147 0.000 1.170 500 Y HN 0.083 nan 8.280 nan 0.000 0.470 501 A N 1.678 124.596 122.820 0.163 0.000 1.898 501 A HA -0.142 4.371 4.320 0.322 0.000 0.216 501 A C 0.606 178.273 177.584 0.139 0.000 1.181 501 A CA 1.713 53.819 52.037 0.114 0.000 0.620 501 A CB -0.240 18.806 19.000 0.077 0.000 0.819 501 A HN 0.681 nan 8.150 nan 0.000 0.442 502 D N -0.950 119.564 120.400 0.189 0.000 2.473 502 D HA 0.388 5.221 4.640 0.322 0.000 0.226 502 D C 0.387 176.812 176.300 0.207 0.000 1.089 502 D CA -0.325 53.776 54.000 0.167 0.000 0.883 502 D CB 0.788 41.675 40.800 0.146 0.000 1.029 502 D HN 0.073 nan 8.370 nan 0.000 0.517 503 K N 2.036 122.532 120.400 0.159 0.000 2.589 503 K HA -0.022 4.491 4.320 0.322 0.000 0.195 503 K C 1.552 178.235 176.600 0.139 0.000 1.040 503 K CA 0.811 57.183 56.287 0.140 0.000 0.950 503 K CB 0.156 32.708 32.500 0.087 0.000 0.781 503 K HN 0.458 nan 8.250 nan 0.000 0.486 504 A N 0.471 123.364 122.820 0.120 0.000 1.975 504 A HA -0.125 4.388 4.320 0.322 0.000 0.215 504 A C 1.920 179.548 177.584 0.073 0.000 1.170 504 A CA 0.775 52.869 52.037 0.095 0.000 0.656 504 A CB -0.101 18.948 19.000 0.080 0.000 0.821 504 A HN 0.273 nan 8.150 nan 0.000 0.449 505 Q N -1.815 118.045 119.800 0.100 0.000 2.084 505 Q HA -0.236 4.297 4.340 0.322 0.000 0.202 505 Q C 1.881 177.823 176.000 -0.097 0.000 0.978 505 Q CA 1.748 57.608 55.803 0.095 0.000 0.844 505 Q CB -0.236 28.691 28.738 0.316 0.000 0.898 505 Q HN 0.887 nan 8.270 nan 0.000 0.426 506 W N 1.505 122.488 121.300 -0.529 0.000 2.378 506 W HA -0.244 4.609 4.660 0.322 0.000 0.313 506 W C 2.401 178.794 176.519 -0.211 0.000 1.197 506 W CA 1.814 58.763 57.345 -0.659 0.000 1.304 506 W CB -0.252 28.747 29.460 -0.768 0.000 1.148 506 W HN 0.115 nan 8.180 nan 0.000 0.494 507 Q N 0.555 120.377 119.800 0.036 0.000 2.045 507 Q HA -0.253 4.280 4.340 0.322 0.000 0.206 507 Q C 2.177 178.067 176.000 -0.184 0.000 0.991 507 Q CA 2.988 58.768 55.803 -0.037 0.000 0.851 507 Q CB -1.219 27.594 28.738 0.125 0.000 0.911 507 Q HN 0.273 nan 8.270 nan 0.000 0.418 508 V N 0.043 119.896 119.914 -0.101 0.000 2.427 508 V HA -0.219 4.094 4.120 0.322 0.000 0.248 508 V C 1.848 177.888 176.094 -0.089 0.000 1.051 508 V CA 2.129 64.388 62.300 -0.068 0.000 1.048 508 V CB -0.276 31.540 31.823 -0.012 0.000 0.666 508 V HN 0.399 nan 8.190 nan 0.000 0.456 509 K N -0.151 120.169 120.400 -0.134 0.000 2.155 509 K HA 0.029 4.543 4.320 0.322 0.000 0.203 509 K C 2.243 178.751 176.600 -0.153 0.000 1.052 509 K CA 1.175 57.431 56.287 -0.051 0.000 0.948 509 K CB -0.314 32.193 32.500 0.012 0.000 0.728 509 K HN 0.556 nan 8.250 nan 0.000 0.448 510 A N 1.931 124.469 122.820 -0.470 0.000 1.873 510 A HA -0.197 4.316 4.320 0.322 0.000 0.215 510 A C 1.880 179.349 177.584 -0.192 0.000 1.186 510 A CA 1.430 53.193 52.037 -0.458 0.000 0.616 510 A CB -0.359 17.935 19.000 -1.177 0.000 0.823 510 A HN 0.285 nan 8.150 nan 0.000 0.442 511 E N -0.466 119.610 120.200 -0.206 0.000 2.110 511 E HA -0.220 4.323 4.350 0.322 0.000 0.193 511 E C 1.710 178.263 176.600 -0.078 0.000 0.988 511 E CA 1.111 57.431 56.400 -0.132 0.000 0.804 511 E CB -0.186 29.457 29.700 -0.094 0.000 0.745 511 E HN 0.668 nan 8.360 nan 0.000 0.458 512 D N 0.894 121.270 120.400 -0.040 0.000 2.084 512 D HA -0.166 4.667 4.640 0.322 0.000 0.194 512 D C 1.937 178.218 176.300 -0.032 0.000 0.990 512 D CA 0.684 54.696 54.000 0.019 0.000 0.826 512 D CB -0.112 40.760 40.800 0.119 0.000 0.971 512 D HN 0.064 nan 8.370 nan 0.000 0.453 513 L N 0.595 121.741 121.223 -0.128 0.000 2.042 513 L HA -0.011 4.523 4.340 0.322 0.000 0.210 513 L C 2.210 179.125 176.870 0.075 0.000 1.076 513 L CA 2.217 56.874 54.840 -0.304 0.000 0.749 513 L CB -1.134 40.696 42.059 -0.382 0.000 0.893 513 L HN 0.095 nan 8.230 nan 0.000 0.432 514 A N -0.418 122.443 122.820 0.068 0.000 1.908 514 A HA -0.239 4.274 4.320 0.322 0.000 0.218 514 A C 2.114 179.696 177.584 -0.003 0.000 1.181 514 A CA 1.899 53.877 52.037 -0.098 0.000 0.627 514 A CB -0.819 17.918 19.000 -0.438 0.000 0.818 514 A HN 0.610 nan 8.150 nan 0.000 0.445 515 N N -0.133 118.553 118.700 -0.024 0.000 2.104 515 N HA -0.150 4.783 4.740 0.322 0.000 0.190 515 N C 1.835 177.361 175.510 0.026 0.000 1.024 515 N CA 1.476 54.523 53.050 -0.005 0.000 0.853 515 N CB -0.439 38.045 38.487 -0.005 0.000 1.008 515 N HN 0.550 nan 8.380 nan 0.000 0.424 516 R N -0.446 120.075 120.500 0.035 0.000 2.096 516 R HA -0.038 4.495 4.340 0.322 0.000 0.235 516 R C 2.056 178.318 176.300 -0.063 0.000 1.127 516 R CA 0.900 57.015 56.100 0.024 0.000 0.968 516 R CB -0.411 29.936 30.300 0.079 0.000 0.861 516 R HN 0.191 nan 8.270 nan 0.000 0.440 517 F N 0.353 120.302 119.950 -0.002 0.000 2.102 517 F HA -0.193 4.527 4.527 0.322 0.000 0.298 517 F C 2.433 178.227 175.800 -0.010 0.000 1.105 517 F CA 1.202 59.203 58.000 0.002 0.000 1.239 517 F CB -0.437 38.664 39.000 0.169 0.000 0.991 517 F HN -0.238 nan 8.300 nan 0.000 0.474 518 V N 0.103 120.138 119.914 0.201 0.000 2.343 518 V HA -0.295 4.018 4.120 0.322 0.000 0.247 518 V C 2.192 178.345 176.094 0.098 0.000 1.051 518 V CA 1.836 64.218 62.300 0.136 0.000 1.036 518 V CB -0.577 31.267 31.823 0.036 0.000 0.654 518 V HN 0.292 nan 8.190 nan 0.000 0.451 519 K N 0.227 120.637 120.400 0.016 0.000 2.057 519 K HA -0.185 4.328 4.320 0.322 0.000 0.206 519 K C 2.059 178.611 176.600 -0.080 0.000 1.050 519 K CA 1.666 57.938 56.287 -0.024 0.000 0.935 519 K CB -0.356 32.121 32.500 -0.039 0.000 0.715 519 K HN 0.437 nan 8.250 nan 0.000 0.439 520 N N 0.741 119.314 118.700 -0.212 0.000 2.166 520 N HA -0.184 4.749 4.740 0.322 0.000 0.186 520 N C 1.499 176.958 175.510 -0.085 0.000 1.019 520 N CA 0.975 53.819 53.050 -0.344 0.000 0.856 520 N CB -0.155 37.712 38.487 -1.034 0.000 0.993 520 N HN 0.065 nan 8.380 nan 0.000 0.426 521 F N 0.220 120.118 119.950 -0.087 0.000 2.325 521 F HA -0.005 4.715 4.527 0.322 0.000 0.299 521 F C 1.943 177.769 175.800 0.043 0.000 1.090 521 F CA 0.445 58.486 58.000 0.068 0.000 1.392 521 F CB -0.172 38.880 39.000 0.086 0.000 1.053 521 F HN -0.108 nan 8.300 nan 0.000 0.521 522 V N 1.711 121.648 119.914 0.038 0.000 2.278 522 V HA -0.437 3.876 4.120 0.322 0.000 0.251 522 V C 2.505 178.493 176.094 -0.176 0.000 1.062 522 V CA 2.567 64.846 62.300 -0.036 0.000 1.038 522 V CB -1.123 30.685 31.823 -0.026 0.000 0.646 522 V HN 0.445 nan 8.190 nan 0.000 0.447 523 K N -0.464 119.749 120.400 -0.312 0.000 2.152 523 K HA -0.232 4.281 4.320 0.322 0.000 0.206 523 K C 2.035 178.368 176.600 -0.445 0.000 1.048 523 K CA 2.296 58.349 56.287 -0.391 0.000 0.933 523 K CB -0.636 31.555 32.500 -0.516 0.000 0.721 523 K HN 0.482 nan 8.250 nan 0.000 0.447 524 Y N 2.607 122.746 120.300 -0.268 0.000 2.439 524 Y HA -0.076 4.667 4.550 0.321 0.000 0.292 524 Y C 2.645 178.395 175.900 -0.250 0.000 1.130 524 Y CA 1.296 59.222 58.100 -0.289 0.000 1.254 524 Y CB -0.704 37.344 38.460 -0.687 0.000 1.000 524 Y HN 0.344 nan 8.280 nan 0.000 0.554 525 T N -2.783 111.654 114.554 -0.194 0.000 3.098 525 T HA -0.035 4.508 4.350 0.322 0.000 0.266 525 T C 2.041 176.717 174.700 -0.039 0.000 1.145 525 T CA 0.659 62.717 62.100 -0.070 0.000 1.092 525 T CB -0.428 68.453 68.868 0.021 0.000 0.908 525 T HN 0.299 nan 8.240 nan 0.000 0.526 526 A N 1.970 124.777 122.820 -0.023 0.000 2.076 526 A HA -0.035 4.478 4.320 0.322 0.000 0.220 526 A C 1.459 179.019 177.584 -0.041 0.000 1.160 526 A CA 0.811 52.851 52.037 0.005 0.000 0.653 526 A CB -0.560 18.481 19.000 0.068 0.000 0.801 526 A HN 0.625 nan 8.150 nan 0.000 0.455 527 N N 0.153 118.758 118.700 -0.158 0.000 2.419 527 N HA 0.137 5.070 4.740 0.322 0.000 0.264 527 N C -1.938 173.462 175.510 -0.184 0.000 1.031 527 N CA -1.772 51.084 53.050 -0.323 0.000 0.951 527 N CB 1.587 39.493 38.487 -0.967 0.000 1.101 527 N HN 0.021 nan 8.380 nan 0.000 0.488 528 P HA -0.130 nan 4.420 nan 0.000 0.219 528 P C 0.573 177.846 177.300 -0.044 0.000 1.146 528 P CA 1.153 64.220 63.100 -0.056 0.000 0.808 528 P CB 0.581 32.257 31.700 -0.039 0.000 0.779 529 E N 0.190 120.343 120.200 -0.078 0.000 2.107 529 E HA -0.053 4.490 4.350 0.322 0.000 0.191 529 E C 2.213 178.816 176.600 0.006 0.000 0.982 529 E CA 1.247 57.623 56.400 -0.040 0.000 0.809 529 E CB -0.848 28.816 29.700 -0.061 0.000 0.756 529 E HN 0.242 nan 8.360 nan 0.000 0.459 530 A N 1.395 124.202 122.820 -0.023 0.000 1.968 530 A HA 0.030 4.543 4.320 0.322 0.000 0.217 530 A C 2.389 180.098 177.584 0.207 0.000 1.169 530 A CA 1.517 53.610 52.037 0.094 0.000 0.638 530 A CB -0.425 18.581 19.000 0.010 0.000 0.812 530 A HN 0.234 nan 8.150 nan 0.000 0.446 531 A N 0.237 123.121 122.820 0.106 0.000 1.978 531 A HA -0.195 4.319 4.320 0.322 0.000 0.220 531 A C 2.013 179.696 177.584 0.164 0.000 1.170 531 A CA 1.794 53.920 52.037 0.148 0.000 0.636 531 A CB -0.426 18.612 19.000 0.062 0.000 0.810 531 A HN 0.549 nan 8.150 nan 0.000 0.448 532 K N -0.494 119.975 120.400 0.116 0.000 2.365 532 K HA 0.095 4.608 4.320 0.322 0.000 0.199 532 K C 1.234 177.888 176.600 0.090 0.000 1.045 532 K CA 0.626 56.962 56.287 0.081 0.000 0.962 532 K CB -0.217 32.312 32.500 0.048 0.000 0.759 532 K HN 0.493 nan 8.250 nan 0.000 0.469 533 L N 0.568 121.893 121.223 0.169 0.000 2.554 533 L HA -0.062 4.471 4.340 0.322 0.000 0.226 533 L C 1.924 178.783 176.870 -0.019 0.000 1.137 533 L CA 0.004 54.918 54.840 0.123 0.000 0.863 533 L CB -0.174 42.039 42.059 0.258 0.000 0.985 533 L HN -0.078 nan 8.230 nan 0.000 0.451 534 V N 0.710 120.643 119.914 0.033 0.000 2.324 534 V HA -0.280 4.034 4.120 0.322 0.000 0.250 534 V C 2.573 178.537 176.094 -0.217 0.000 1.060 534 V CA 2.177 64.421 62.300 -0.092 0.000 1.042 534 V CB -1.118 30.735 31.823 0.050 0.000 0.650 534 V HN 0.620 nan 8.190 nan 0.000 0.450 535 G N -0.896 107.822 108.800 -0.137 0.000 2.498 535 G HA2 -0.072 4.081 3.960 0.322 0.000 0.219 535 G HA3 -0.072 4.081 3.960 0.322 0.000 0.219 535 G C 1.488 176.256 174.900 -0.219 0.000 1.119 535 G CA 0.840 45.848 45.100 -0.154 0.000 0.766 535 G HN 0.644 nan 8.290 nan 0.000 0.552 536 A N 0.025 122.676 122.820 -0.281 0.000 2.195 536 A HA 0.552 5.065 4.320 0.322 0.000 0.210 536 A C 1.623 178.831 177.584 -0.627 0.000 1.165 536 A CA 0.848 52.699 52.037 -0.311 0.000 0.806 536 A CB -0.101 18.793 19.000 -0.178 0.000 0.847 536 A HN 0.488 nan 8.150 nan 0.000 0.482 537 G N 0.213 108.376 108.800 -1.061 0.000 2.563 537 G HA2 0.474 4.627 3.960 0.322 0.000 0.283 537 G HA3 0.474 4.627 3.960 0.322 0.000 0.283 537 G C -2.580 171.841 174.900 -0.799 0.000 1.309 537 G CA -1.358 42.754 45.100 -1.648 0.000 1.022 537 G HN 0.161 nan 8.290 nan 0.000 0.501 538 P HA 0.251 nan 4.420 nan 0.000 0.272 538 P C -0.725 176.312 177.300 -0.439 0.000 1.223 538 P CA -0.049 62.681 63.100 -0.616 0.000 0.784 538 P CB 1.248 32.356 31.700 -0.986 0.000 0.923 539 K N 0.000 120.181 120.400 -0.364 0.000 2.780 539 K HA 0.000 4.513 4.320 0.322 0.000 0.191 539 K CA 0.000 56.144 56.287 -0.238 0.000 0.838 539 K CB 0.000 32.396 32.500 -0.174 0.000 1.064 539 K HN 0.000 nan 8.250 nan 0.000 0.543