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 2frx_1_D DATA FIRST_RESID 7 DATA SEQUENCE YFPDAFLTQX REAXPXXXXF DDFLAACQRP LRRSIRVNTL KISVADFLQL DATA SEQUENCE TAPYGWTLTP IPWCEEGFWX XXXXXXXXPL GSTAEHLSGL FYIQEASSXL DATA SEQUENCE PVAALFADGN APQRVXDVAA APGSKTTQIS ARXNNEGAIL ANEFSASRVK DATA SEQUENCE VLHANISRCG ISNVALTHFD GRVFGAAVPE XFDAILLDAP CSGEGVVRKD DATA SEQUENCE PDALKNWSPE SNQEIAATQR ELIDSAFHAL RPGGTLVYST CTLNQEENEA DATA SEQUENCE VCLWLKETYP DAVEFLPLGD LFPGANKALT EEGFLHVFPQ IYDCEGFFVA DATA SEQUENCE RLRKTQAIPA LPAPKYKVGN FPFSPVKDRE AGQIRQAATG VGLNWDENLR DATA SEQUENCE LWQRDKELWL FPVGIEALIG KVRFSRLGIK LAETHNKGYR WQHEAVIALA DATA SEQUENCE SPDNXNAFEL TPQEAEEWYR GRDVYPQAAP VADDVLVTFQ HQPIGLAKRI DATA SEQUENCE GSRLKNSYPR ELVRDGKL 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 7 Y HA 0.000 nan 4.550 nan 0.000 0.201 7 Y C 0.000 175.412 175.900 -0.813 0.000 1.272 7 Y CA 0.000 57.742 58.100 -0.598 0.000 1.940 7 Y CB 0.000 38.282 38.460 -0.297 0.000 1.050 8 F N 6.613 126.175 119.950 -0.646 0.000 2.585 8 F HA 0.665 5.191 4.527 -0.001 0.000 0.319 8 F C -2.545 172.907 175.800 -0.579 0.000 1.165 8 F CA -1.928 55.704 58.000 -0.613 0.000 0.949 8 F CB 1.814 40.750 39.000 -0.108 0.000 1.218 8 F HN 0.225 nan 8.300 nan 0.000 0.453 9 P HA 0.238 nan 4.420 nan 0.000 0.278 9 P C 0.101 177.446 177.300 0.074 0.000 1.238 9 P CA -0.322 62.705 63.100 -0.122 0.000 0.794 9 P CB 1.141 32.816 31.700 -0.040 0.000 0.955 10 D N 1.870 122.334 120.400 0.107 0.000 2.127 10 D HA -0.242 4.397 4.640 -0.002 0.000 0.190 10 D C 1.960 178.328 176.300 0.113 0.000 1.000 10 D CA 2.224 56.287 54.000 0.105 0.000 0.839 10 D CB -0.989 39.869 40.800 0.096 0.000 0.955 10 D HN 0.428 nan 8.370 nan 0.000 0.446 11 A N 0.630 123.553 122.820 0.171 0.000 1.940 11 A HA -0.248 4.071 4.320 -0.002 0.000 0.221 11 A C 2.171 179.880 177.584 0.208 0.000 1.190 11 A CA 1.949 54.124 52.037 0.230 0.000 0.647 11 A CB -1.166 18.058 19.000 0.374 0.000 0.821 11 A HN 0.344 nan 8.150 nan 0.000 0.457 12 F N 0.061 119.934 119.950 -0.129 0.000 2.128 12 F HA -0.035 4.491 4.527 -0.001 0.000 0.295 12 F C 1.892 177.584 175.800 -0.180 0.000 1.100 12 F CA 1.593 59.306 58.000 -0.479 0.000 1.260 12 F CB -0.209 38.046 39.000 -1.242 0.000 1.009 12 F HN 0.132 nan 8.300 nan 0.000 0.476 13 L N 0.170 121.290 121.223 -0.171 0.000 2.044 13 L HA -0.132 4.207 4.340 -0.002 0.000 0.205 13 L C 2.002 178.808 176.870 -0.106 0.000 1.075 13 L CA 1.713 56.437 54.840 -0.192 0.000 0.747 13 L CB -1.166 40.889 42.059 -0.006 0.000 0.903 13 L HN 0.276 nan 8.230 nan 0.000 0.435 14 T N -1.948 112.571 114.554 -0.059 0.000 3.509 14 T HA 0.089 4.438 4.350 -0.002 0.000 0.250 14 T C 0.223 174.891 174.700 -0.053 0.000 1.076 14 T CA -0.282 61.781 62.100 -0.062 0.000 0.966 14 T CB -0.445 68.398 68.868 -0.040 0.000 1.046 14 T HN 0.495 nan 8.240 nan 0.000 0.591 18 E N 0.776 120.924 120.200 -0.087 0.000 2.489 18 E HA 0.383 4.733 4.350 -0.002 0.000 0.193 18 E C -0.045 176.508 176.600 -0.078 0.000 1.057 18 E CA 0.678 57.029 56.400 -0.080 0.000 0.866 18 E CB 1.061 30.723 29.700 -0.063 0.000 0.916 18 E HN 0.399 nan 8.360 nan 0.000 0.500 27 D N 1.692 122.354 120.400 0.437 0.000 2.116 27 D HA -0.183 4.456 4.640 -0.002 0.000 0.193 27 D C 1.403 177.738 176.300 0.058 0.000 0.998 27 D CA 2.053 56.253 54.000 0.333 0.000 0.836 27 D CB -0.425 40.520 40.800 0.243 0.000 0.951 27 D HN 0.387 nan 8.370 nan 0.000 0.449 28 D N -0.454 119.973 120.400 0.045 0.000 2.191 28 D HA -0.207 4.432 4.640 -0.002 0.000 0.195 28 D C 1.837 178.126 176.300 -0.018 0.000 1.003 28 D CA 0.620 54.628 54.000 0.013 0.000 0.867 28 D CB -0.426 40.389 40.800 0.025 0.000 0.926 28 D HN 0.273 nan 8.370 nan 0.000 0.450 29 F N 0.875 120.679 119.950 -0.243 0.000 2.084 29 F HA -0.121 4.405 4.527 -0.002 0.000 0.296 29 F C 2.176 177.800 175.800 -0.293 0.000 1.111 29 F CA 0.770 58.596 58.000 -0.289 0.000 1.224 29 F CB -0.565 38.158 39.000 -0.462 0.000 0.991 29 F HN -0.068 nan 8.300 nan 0.000 0.471 30 L N 0.825 121.695 121.223 -0.588 0.000 2.129 30 L HA -0.117 4.222 4.340 -0.002 0.000 0.212 30 L C 2.368 179.071 176.870 -0.279 0.000 1.087 30 L CA 1.988 56.508 54.840 -0.534 0.000 0.757 30 L CB -1.100 40.802 42.059 -0.262 0.000 0.896 30 L HN 0.253 nan 8.230 nan 0.000 0.434 31 A N -0.598 122.120 122.820 -0.171 0.000 1.855 31 A HA -0.028 4.291 4.320 -0.002 0.000 0.215 31 A C 2.427 179.961 177.584 -0.083 0.000 1.191 31 A CA 1.528 53.517 52.037 -0.079 0.000 0.613 31 A CB -1.208 17.770 19.000 -0.037 0.000 0.829 31 A HN 0.523 nan 8.150 nan 0.000 0.442 32 A N -1.423 121.334 122.820 -0.106 0.000 2.015 32 A HA -0.149 4.170 4.320 -0.002 0.000 0.219 32 A C 2.263 179.785 177.584 -0.102 0.000 1.163 32 A CA 1.483 53.475 52.037 -0.075 0.000 0.646 32 A CB -1.307 17.675 19.000 -0.029 0.000 0.806 32 A HN 0.623 nan 8.150 nan 0.000 0.448 33 C N -1.321 117.837 119.300 -0.236 0.000 2.413 33 C HA -0.120 4.339 4.460 -0.002 0.000 0.277 33 C C 2.666 177.651 174.990 -0.008 0.000 1.265 33 C CA 1.711 60.617 59.018 -0.187 0.000 1.752 33 C CB -0.914 26.611 27.740 -0.358 0.000 1.998 33 C HN 0.722 nan 8.230 nan 0.000 0.489 34 Q N -0.219 119.589 119.800 0.013 0.000 2.360 34 Q HA 0.146 4.485 4.340 -0.002 0.000 0.202 34 Q C 0.874 176.881 176.000 0.012 0.000 0.915 34 Q CA 0.149 55.984 55.803 0.053 0.000 0.943 34 Q CB 0.058 28.850 28.738 0.091 0.000 1.064 34 Q HN 0.642 nan 8.270 nan 0.000 0.511 35 R N 0.971 121.469 120.500 -0.004 0.000 2.460 35 R HA 0.412 4.751 4.340 -0.002 0.000 0.303 35 R C -2.586 173.712 176.300 -0.003 0.000 0.968 35 R CA -2.156 53.940 56.100 -0.007 0.000 0.889 35 R CB 0.916 31.207 30.300 -0.015 0.000 1.123 35 R HN -0.069 nan 8.270 nan 0.000 0.455 36 P HA -0.039 nan 4.420 nan 0.000 0.272 36 P C -0.474 176.835 177.300 0.015 0.000 1.223 36 P CA -0.518 62.586 63.100 0.006 0.000 0.784 36 P CB 0.543 32.243 31.700 0.001 0.000 0.923 37 L N 2.775 124.021 121.223 0.039 0.000 2.467 37 L HA 0.105 4.444 4.340 -0.002 0.000 0.270 37 L C 0.922 177.828 176.870 0.061 0.000 1.205 37 L CA 0.087 54.969 54.840 0.070 0.000 0.828 37 L CB -0.533 41.590 42.059 0.105 0.000 1.101 37 L HN 0.348 nan 8.230 nan 0.000 0.479 38 R N 3.213 123.763 120.500 0.084 0.000 2.390 38 R HA 0.240 4.580 4.340 -0.002 0.000 0.291 38 R C -0.162 176.258 176.300 0.201 0.000 1.070 38 R CA -0.585 55.570 56.100 0.092 0.000 1.014 38 R CB 0.497 30.768 30.300 -0.048 0.000 1.007 38 R HN 0.563 nan 8.270 nan 0.000 0.466 39 R N 1.247 121.806 120.500 0.098 0.000 2.537 39 R HA -0.033 4.306 4.340 -0.002 0.000 0.281 39 R C -0.153 176.219 176.300 0.120 0.000 0.988 39 R CA 0.708 56.838 56.100 0.050 0.000 1.077 39 R CB 0.304 30.560 30.300 -0.073 0.000 0.932 39 R HN 0.660 nan 8.270 nan 0.000 0.409 40 S N 2.933 118.665 115.700 0.054 0.000 2.541 40 S HA 0.634 5.103 4.470 -0.002 0.000 0.280 40 S C -0.472 174.081 174.600 -0.078 0.000 1.112 40 S CA -0.950 57.219 58.200 -0.052 0.000 0.925 40 S CB 1.775 64.850 63.200 -0.208 0.000 1.067 40 S HN 0.484 nan 8.310 nan 0.000 0.479 41 I N 1.457 121.955 120.570 -0.120 0.000 2.647 41 I HA 0.567 4.737 4.170 -0.002 0.000 0.295 41 I C -0.563 175.513 176.117 -0.067 0.000 1.078 41 I CA -0.795 60.450 61.300 -0.092 0.000 1.048 41 I CB 2.272 40.111 38.000 -0.268 0.000 1.239 41 I HN 0.765 nan 8.210 nan 0.000 0.421 42 R N 5.829 126.347 120.500 0.029 0.000 2.451 42 R HA 0.533 4.872 4.340 -0.002 0.000 0.307 42 R C -1.649 174.662 176.300 0.018 0.000 0.965 42 R CA -0.549 55.543 56.100 -0.013 0.000 0.865 42 R CB 1.729 32.020 30.300 -0.016 0.000 1.174 42 R HN 0.413 nan 8.270 nan 0.000 0.455 43 V N 4.494 124.346 119.914 -0.103 0.000 2.655 43 V HA -0.010 4.109 4.120 -0.002 0.000 0.300 43 V C 0.590 176.650 176.094 -0.058 0.000 1.044 43 V CA 0.127 62.313 62.300 -0.190 0.000 1.095 43 V CB 0.974 32.651 31.823 -0.243 0.000 0.952 43 V HN 0.765 nan 8.190 nan 0.000 0.485 44 N N 3.142 121.831 118.700 -0.019 0.000 2.500 44 N HA 0.110 4.849 4.740 -0.002 0.000 0.236 44 N C 0.691 176.206 175.510 0.008 0.000 1.022 44 N CA -0.426 52.630 53.050 0.011 0.000 0.935 44 N CB 0.948 39.454 38.487 0.032 0.000 1.147 44 N HN 0.713 nan 8.380 nan 0.000 0.512 45 T N 3.676 118.226 114.554 -0.006 0.000 3.160 45 T HA 0.026 4.375 4.350 -0.002 0.000 0.257 45 T C 1.726 176.429 174.700 0.005 0.000 1.147 45 T CA 0.334 62.434 62.100 0.001 0.000 1.064 45 T CB 0.040 68.897 68.868 -0.018 0.000 0.949 45 T HN 0.559 nan 8.240 nan 0.000 0.526 46 L N -0.109 121.118 121.223 0.007 0.000 2.465 46 L HA 0.091 4.430 4.340 -0.002 0.000 0.224 46 L C 2.442 179.322 176.870 0.017 0.000 1.145 46 L CA 0.783 55.629 54.840 0.010 0.000 0.834 46 L CB -0.189 41.879 42.059 0.015 0.000 0.944 46 L HN 0.032 nan 8.230 nan 0.000 0.451 47 K N -0.611 119.805 120.400 0.026 0.000 2.399 47 K HA 0.408 4.727 4.320 -0.002 0.000 0.196 47 K C 0.176 176.808 176.600 0.052 0.000 1.117 47 K CA 0.260 56.567 56.287 0.035 0.000 0.965 47 K CB 1.798 34.321 32.500 0.038 0.000 0.983 47 K HN 0.097 nan 8.250 nan 0.000 0.531 48 I N 0.665 121.274 120.570 0.066 0.000 2.828 48 I HA 0.072 4.241 4.170 -0.002 0.000 0.295 48 I C -1.002 175.168 176.117 0.089 0.000 1.459 48 I CA -0.530 60.825 61.300 0.092 0.000 1.015 48 I CB 2.056 40.151 38.000 0.158 0.000 1.345 48 I HN 0.066 nan 8.210 nan 0.000 0.449 49 S N 4.479 120.231 115.700 0.086 0.000 2.614 49 S HA 0.291 4.760 4.470 -0.002 0.000 0.265 49 S C 1.189 175.863 174.600 0.125 0.000 1.303 49 S CA -0.376 57.871 58.200 0.079 0.000 1.000 49 S CB 1.617 64.853 63.200 0.060 0.000 0.935 49 S HN 0.510 nan 8.310 nan 0.000 0.551 50 V N 2.098 122.080 119.914 0.114 0.000 2.220 50 V HA -0.258 3.862 4.120 -0.002 0.000 0.250 50 V C 3.052 179.253 176.094 0.178 0.000 1.056 50 V CA 2.510 64.911 62.300 0.169 0.000 1.016 50 V CB -2.065 29.853 31.823 0.159 0.000 0.639 50 V HN 1.053 nan 8.190 nan 0.000 0.446 51 A N -0.056 122.833 122.820 0.115 0.000 1.883 51 A HA -0.289 4.031 4.320 -0.002 0.000 0.217 51 A C 2.025 179.647 177.584 0.062 0.000 1.186 51 A CA 2.210 54.292 52.037 0.076 0.000 0.624 51 A CB -0.770 18.260 19.000 0.051 0.000 0.822 51 A HN 0.602 nan 8.150 nan 0.000 0.444 52 D N -1.230 119.215 120.400 0.075 0.000 2.117 52 D HA -0.142 4.497 4.640 -0.002 0.000 0.197 52 D C 1.653 177.987 176.300 0.057 0.000 0.987 52 D CA 1.300 55.331 54.000 0.051 0.000 0.829 52 D CB -0.457 40.379 40.800 0.059 0.000 0.961 52 D HN 0.481 nan 8.370 nan 0.000 0.460 53 F N 1.197 121.144 119.950 -0.005 0.000 2.095 53 F HA -0.227 4.299 4.527 -0.002 0.000 0.298 53 F C 2.077 177.845 175.800 -0.053 0.000 1.104 53 F CA 0.968 58.968 58.000 -0.001 0.000 1.232 53 F CB -0.206 38.824 39.000 0.049 0.000 0.987 53 F HN -0.137 nan 8.300 nan 0.000 0.475 54 L N 0.502 121.751 121.223 0.043 0.000 1.989 54 L HA -0.277 4.062 4.340 -0.002 0.000 0.211 54 L C 2.574 179.332 176.870 -0.187 0.000 1.071 54 L CA 1.737 56.513 54.840 -0.107 0.000 0.749 54 L CB -1.456 40.565 42.059 -0.063 0.000 0.890 54 L HN 0.220 nan 8.230 nan 0.000 0.431 55 Q N -1.039 118.682 119.800 -0.132 0.000 2.029 55 Q HA -0.275 4.064 4.340 -0.002 0.000 0.209 55 Q C 2.314 178.178 176.000 -0.227 0.000 0.999 55 Q CA 1.899 57.614 55.803 -0.147 0.000 0.857 55 Q CB -0.786 27.892 28.738 -0.099 0.000 0.926 55 Q HN 0.345 nan 8.270 nan 0.000 0.415 56 L N 0.559 121.618 121.223 -0.272 0.000 2.093 56 L HA -0.114 4.225 4.340 -0.002 0.000 0.208 56 L C 2.085 178.689 176.870 -0.442 0.000 1.085 56 L CA 2.309 56.947 54.840 -0.337 0.000 0.755 56 L CB -0.631 41.241 42.059 -0.313 0.000 0.904 56 L HN 0.371 nan 8.230 nan 0.000 0.435 57 T N -4.760 109.473 114.554 -0.535 0.000 3.092 57 T HA 0.319 4.668 4.350 -0.002 0.000 0.258 57 T C 1.739 176.150 174.700 -0.481 0.000 1.031 57 T CA 0.294 62.081 62.100 -0.521 0.000 0.925 57 T CB -0.135 68.385 68.868 -0.580 0.000 1.036 57 T HN 0.213 nan 8.240 nan 0.000 0.544 58 A N 3.611 126.200 122.820 -0.386 0.000 1.903 58 A HA -0.047 4.272 4.320 -0.002 0.000 0.219 58 A C 0.599 177.984 177.584 -0.332 0.000 1.191 58 A CA 1.599 53.458 52.037 -0.297 0.000 0.638 58 A CB -1.781 17.087 19.000 -0.221 0.000 0.823 58 A HN 0.555 nan 8.150 nan 0.000 0.451 59 P HA -0.200 nan 4.420 nan 0.000 0.218 59 P C 0.859 177.899 177.300 -0.434 0.000 1.146 59 P CA 1.347 64.187 63.100 -0.433 0.000 0.813 59 P CB -0.351 31.017 31.700 -0.554 0.000 0.778 60 Y N -0.120 119.915 120.300 -0.442 0.000 2.571 60 Y HA 0.168 4.717 4.550 -0.002 0.000 0.294 60 Y C 1.649 177.269 175.900 -0.468 0.000 1.141 60 Y CA 0.212 57.970 58.100 -0.571 0.000 1.308 60 Y CB -0.760 37.006 38.460 -1.157 0.000 1.002 60 Y HN -0.001 nan 8.280 nan 0.000 0.551 61 G N 0.656 109.330 108.800 -0.211 0.000 2.363 61 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.286 61 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.286 61 G C -0.701 174.274 174.900 0.125 0.000 0.975 61 G CA -0.235 44.837 45.100 -0.048 0.000 1.309 61 G HN 0.234 nan 8.290 nan 0.000 0.491 62 W N -0.181 121.134 121.300 0.025 0.000 2.627 62 W HA 0.647 5.306 4.660 -0.002 0.000 0.339 62 W C 0.517 177.034 176.519 -0.003 0.000 1.058 62 W CA -1.351 56.000 57.345 0.010 0.000 1.223 62 W CB 1.245 30.704 29.460 -0.001 0.000 1.389 62 W HN 0.167 nan 8.180 nan 0.000 0.541 63 T N 4.148 118.846 114.554 0.241 0.000 2.780 63 T HA 0.550 4.899 4.350 -0.002 0.000 0.294 63 T C -0.162 174.632 174.700 0.157 0.000 0.949 63 T CA -0.235 61.954 62.100 0.148 0.000 1.074 63 T CB 0.197 69.126 68.868 0.101 0.000 0.910 63 T HN 0.077 nan 8.240 nan 0.000 0.501 64 L N 3.784 125.092 121.223 0.140 0.000 2.372 64 L HA 0.351 4.690 4.340 -0.002 0.000 0.273 64 L C 0.194 177.223 176.870 0.266 0.000 0.989 64 L CA -0.804 54.144 54.840 0.181 0.000 0.841 64 L CB 1.732 43.817 42.059 0.044 0.000 1.225 64 L HN 0.577 nan 8.230 nan 0.000 0.414 65 T N 4.304 119.053 114.554 0.325 0.000 2.780 65 T HA 0.268 4.617 4.350 -0.002 0.000 0.294 65 T C -2.353 172.576 174.700 0.381 0.000 0.949 65 T CA -1.108 61.192 62.100 0.333 0.000 1.074 65 T CB 0.831 69.879 68.868 0.301 0.000 0.910 65 T HN 0.307 nan 8.240 nan 0.000 0.501 66 P HA 0.225 nan 4.420 nan 0.000 0.271 66 P C -0.475 176.662 177.300 -0.272 0.000 1.216 66 P CA -0.326 62.729 63.100 -0.075 0.000 0.771 66 P CB 0.535 32.230 31.700 -0.008 0.000 0.864 67 I N 5.432 125.580 120.570 -0.702 0.000 2.371 67 I HA 0.138 4.307 4.170 -0.002 0.000 0.290 67 I C -1.348 174.217 176.117 -0.920 0.000 1.028 67 I CA -2.297 58.390 61.300 -1.022 0.000 1.345 67 I CB 1.021 38.101 38.000 -1.533 0.000 1.407 67 I HN 0.184 nan 8.210 nan 0.000 0.501 68 P HA -0.115 nan 4.420 nan 0.000 0.220 68 P C 0.610 177.635 177.300 -0.458 0.000 1.148 68 P CA 1.168 63.981 63.100 -0.479 0.000 0.803 68 P CB 0.005 31.554 31.700 -0.253 0.000 0.782 69 W N -2.737 118.149 121.300 -0.690 0.000 3.239 69 W HA 0.517 5.176 4.660 -0.002 0.000 0.368 69 W C -0.487 175.814 176.519 -0.363 0.000 1.154 69 W CA -0.809 56.189 57.345 -0.578 0.000 1.860 69 W CB -0.734 28.201 29.460 -0.875 0.000 1.094 69 W HN -0.141 nan 8.180 nan 0.000 0.643 70 C N 2.161 121.181 119.300 -0.466 0.000 2.887 70 C HA 0.220 4.679 4.460 -0.002 0.000 0.379 70 C C 1.420 176.137 174.990 -0.456 0.000 1.064 70 C CA -0.503 58.293 59.018 -0.371 0.000 1.282 70 C CB 0.327 27.842 27.740 -0.374 0.000 1.749 70 C HN 0.469 nan 8.230 nan 0.000 0.489 71 E N 1.162 121.179 120.200 -0.306 0.000 2.265 71 E HA -0.176 4.173 4.350 -0.002 0.000 0.196 71 E C 0.740 177.129 176.600 -0.352 0.000 0.996 71 E CA 1.327 57.551 56.400 -0.293 0.000 0.832 71 E CB 0.366 29.983 29.700 -0.139 0.000 0.756 71 E HN 0.745 nan 8.360 nan 0.000 0.491 72 E N -0.336 119.674 120.200 -0.318 0.000 2.419 72 E HA 0.154 4.503 4.350 -0.002 0.000 0.190 72 E C 0.073 176.465 176.600 -0.347 0.000 1.040 72 E CA -0.140 56.121 56.400 -0.232 0.000 0.900 72 E CB 1.311 30.934 29.700 -0.129 0.000 1.054 72 E HN 0.083 nan 8.360 nan 0.000 0.462 73 G N 0.055 108.442 108.800 -0.689 0.000 2.495 73 G HA2 0.640 4.599 3.960 -0.002 0.000 0.318 73 G HA3 0.640 4.599 3.960 -0.002 0.000 0.318 73 G C -1.111 173.163 174.900 -1.042 0.000 1.257 73 G CA -0.511 44.185 45.100 -0.673 0.000 0.962 73 G HN 0.028 nan 8.290 nan 0.000 0.483 74 F N -0.282 119.457 119.950 -0.352 0.000 2.645 74 F HA 0.578 5.104 4.527 -0.002 0.000 0.310 74 F C -0.348 175.303 175.800 -0.249 0.000 1.102 74 F CA -1.123 56.729 58.000 -0.247 0.000 0.952 74 F CB 1.988 40.937 39.000 -0.086 0.000 1.326 74 F HN 0.351 nan 8.300 nan 0.000 0.456 86 L N 0.767 121.955 121.223 -0.058 0.000 1.997 86 L HA -0.189 4.150 4.340 -0.002 0.000 0.216 86 L C 2.352 179.180 176.870 -0.070 0.000 1.074 86 L CA 2.541 57.367 54.840 -0.023 0.000 0.763 86 L CB -0.589 41.439 42.059 -0.052 0.000 0.890 86 L HN 0.604 nan 8.230 nan 0.000 0.434 87 G N -1.398 107.239 108.800 -0.272 0.000 2.484 87 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.218 87 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.218 87 G C 1.293 176.002 174.900 -0.318 0.000 1.130 87 G CA 0.772 45.486 45.100 -0.644 0.000 0.784 87 G HN 0.496 nan 8.290 nan 0.000 0.543 88 S N -0.511 115.109 115.700 -0.133 0.000 2.552 88 S HA 0.351 4.820 4.470 -0.002 0.000 0.246 88 S C 0.276 174.862 174.600 -0.022 0.000 1.019 88 S CA -0.304 57.853 58.200 -0.072 0.000 1.045 88 S CB 0.265 63.438 63.200 -0.045 0.000 0.784 88 S HN -0.006 nan 8.310 nan 0.000 0.453 89 T N 1.249 115.814 114.554 0.019 0.000 2.794 89 T HA 0.633 4.982 4.350 -0.002 0.000 0.280 89 T C 1.415 176.171 174.700 0.093 0.000 0.987 89 T CA -0.009 62.140 62.100 0.082 0.000 0.993 89 T CB 1.046 70.019 68.868 0.176 0.000 0.939 89 T HN 0.409 nan 8.240 nan 0.000 0.449 90 A N 4.321 127.229 122.820 0.147 0.000 1.929 90 A HA -0.211 4.108 4.320 -0.002 0.000 0.221 90 A C 1.950 179.637 177.584 0.172 0.000 1.211 90 A CA 2.486 54.656 52.037 0.222 0.000 0.657 90 A CB -0.726 18.565 19.000 0.485 0.000 0.827 90 A HN 0.879 nan 8.150 nan 0.000 0.462 91 E N -1.579 118.737 120.200 0.195 0.000 2.153 91 E HA -0.152 4.197 4.350 -0.002 0.000 0.194 91 E C 1.828 178.382 176.600 -0.077 0.000 0.988 91 E CA 1.470 57.979 56.400 0.182 0.000 0.811 91 E CB -0.465 29.500 29.700 0.441 0.000 0.746 91 E HN 0.913 nan 8.360 nan 0.000 0.466 92 H N -0.259 118.620 119.070 -0.318 0.000 2.395 92 H HA 0.053 4.608 4.556 -0.001 0.000 0.299 92 H C 1.647 176.766 175.328 -0.347 0.000 1.070 92 H CA 1.182 56.835 56.048 -0.658 0.000 1.356 92 H CB 0.009 29.459 29.762 -0.520 0.000 1.401 92 H HN 0.084 nan 8.280 nan 0.000 0.524 93 L N -0.017 121.119 121.223 -0.146 0.000 2.217 93 L HA -0.080 4.259 4.340 -0.002 0.000 0.211 93 L C 2.212 179.079 176.870 -0.006 0.000 1.107 93 L CA 1.266 56.002 54.840 -0.172 0.000 0.783 93 L CB -0.194 41.504 42.059 -0.603 0.000 0.919 93 L HN 0.379 nan 8.230 nan 0.000 0.442 94 S N -0.811 114.916 115.700 0.045 0.000 2.631 94 S HA 0.219 4.688 4.470 -0.002 0.000 0.217 94 S C 1.378 175.973 174.600 -0.008 0.000 0.958 94 S CA 0.197 58.456 58.200 0.099 0.000 0.920 94 S CB 0.152 63.440 63.200 0.146 0.000 0.776 94 S HN 0.469 nan 8.310 nan 0.000 0.517 95 G N 1.329 110.041 108.800 -0.145 0.000 2.212 95 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.255 95 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.255 95 G C 0.336 175.164 174.900 -0.120 0.000 1.062 95 G CA 0.417 45.400 45.100 -0.195 0.000 0.815 95 G HN 0.542 nan 8.290 nan 0.000 0.497 96 L N -1.512 119.653 121.223 -0.097 0.000 2.446 96 L HA 0.419 4.758 4.340 -0.002 0.000 0.219 96 L C 1.108 178.034 176.870 0.093 0.000 1.116 96 L CA 0.618 55.503 54.840 0.075 0.000 0.844 96 L CB -0.224 42.002 42.059 0.278 0.000 0.970 96 L HN 0.547 nan 8.230 nan 0.000 0.457 97 F N -2.735 117.209 119.950 -0.010 0.000 2.668 97 F HA 0.511 5.037 4.527 -0.001 0.000 0.309 97 F C -1.354 174.444 175.800 -0.003 0.000 1.117 97 F CA -1.939 56.031 58.000 -0.050 0.000 0.951 97 F CB 0.875 39.811 39.000 -0.107 0.000 1.323 97 F HN -0.263 nan 8.300 nan 0.000 0.451 98 Y N 2.950 123.431 120.300 0.303 0.000 2.352 98 Y HA 0.642 5.191 4.550 -0.002 0.000 0.339 98 Y C -0.051 176.070 175.900 0.369 0.000 0.992 98 Y CA -1.126 57.110 58.100 0.226 0.000 1.100 98 Y CB 1.385 39.898 38.460 0.089 0.000 1.192 98 Y HN 0.637 nan 8.280 nan 0.000 0.458 99 I N 7.000 127.901 120.570 0.552 0.000 2.372 99 I HA 0.077 4.246 4.170 -0.002 0.000 0.298 99 I C -0.568 175.842 176.117 0.489 0.000 1.137 99 I CA 0.279 61.844 61.300 0.442 0.000 1.314 99 I CB -0.298 37.872 38.000 0.284 0.000 1.444 99 I HN 0.572 nan 8.210 nan 0.000 0.541 100 Q N 5.757 125.733 119.800 0.295 0.000 2.418 100 Q HA 0.461 4.801 4.340 -0.002 0.000 0.282 100 Q C -1.275 174.741 176.000 0.028 0.000 1.044 100 Q CA -1.088 54.800 55.803 0.141 0.000 0.813 100 Q CB 1.929 30.657 28.738 -0.018 0.000 1.428 100 Q HN 0.492 nan 8.270 nan 0.000 0.402 101 E N 1.127 121.347 120.200 0.033 0.000 2.383 101 E HA 0.289 4.638 4.350 -0.002 0.000 0.264 101 E C 0.330 176.898 176.600 -0.053 0.000 1.050 101 E CA 0.226 56.642 56.400 0.027 0.000 0.896 101 E CB 1.120 30.878 29.700 0.098 0.000 0.982 101 E HN 0.758 nan 8.360 nan 0.000 0.424 102 A N 3.047 125.811 122.820 -0.093 0.000 1.873 102 A HA -0.288 4.031 4.320 -0.002 0.000 0.218 102 A C 2.214 179.836 177.584 0.063 0.000 1.193 102 A CA 2.209 54.158 52.037 -0.147 0.000 0.629 102 A CB -0.998 17.848 19.000 -0.257 0.000 0.826 102 A HN 0.791 nan 8.150 nan 0.000 0.447 103 S N -0.622 115.077 115.700 -0.002 0.000 2.412 103 S HA -0.272 4.197 4.470 -0.002 0.000 0.311 103 S C 1.469 175.519 174.600 -0.916 0.000 1.182 103 S CA 2.014 59.935 58.200 -0.464 0.000 1.365 103 S CB -0.965 62.239 63.200 0.006 0.000 1.295 103 S HN 0.654 nan 8.310 nan 0.000 0.463 107 P HA -0.120 nan 4.420 nan 0.000 0.216 107 P C 1.911 179.201 177.300 -0.016 0.000 1.157 107 P CA 2.318 65.387 63.100 -0.052 0.000 0.880 107 P CB 0.117 31.840 31.700 0.039 0.000 0.791 108 V N -0.278 119.640 119.914 0.007 0.000 2.407 108 V HA -0.249 3.871 4.120 -0.002 0.000 0.248 108 V C 2.437 178.634 176.094 0.171 0.000 1.055 108 V CA 2.143 64.501 62.300 0.098 0.000 1.049 108 V CB -1.748 30.131 31.823 0.094 0.000 0.662 108 V HN 0.118 nan 8.190 nan 0.000 0.455 109 A N 0.098 122.974 122.820 0.093 0.000 1.898 109 A HA -0.079 4.240 4.320 -0.002 0.000 0.216 109 A C 2.449 180.112 177.584 0.131 0.000 1.181 109 A CA 1.941 54.053 52.037 0.126 0.000 0.620 109 A CB -0.766 18.295 19.000 0.102 0.000 0.819 109 A HN 0.556 nan 8.150 nan 0.000 0.442 110 A N -0.543 122.312 122.820 0.060 0.000 1.908 110 A HA -0.094 4.225 4.320 -0.002 0.000 0.218 110 A C 2.130 179.733 177.584 0.032 0.000 1.181 110 A CA 1.692 53.756 52.037 0.044 0.000 0.627 110 A CB -0.639 18.362 19.000 0.002 0.000 0.818 110 A HN 0.554 nan 8.150 nan 0.000 0.445 111 L N -1.981 119.237 121.223 -0.008 0.000 2.127 111 L HA -0.079 4.260 4.340 -0.002 0.000 0.211 111 L C 1.465 178.153 176.870 -0.304 0.000 1.089 111 L CA 1.677 56.411 54.840 -0.177 0.000 0.757 111 L CB -0.239 41.648 42.059 -0.286 0.000 0.899 111 L HN 0.423 nan 8.230 nan 0.000 0.434 112 F N -0.877 119.087 119.950 0.024 0.000 2.653 112 F HA 0.416 4.942 4.527 -0.002 0.000 0.304 112 F C 1.344 177.163 175.800 0.032 0.000 1.092 112 F CA -0.183 57.833 58.000 0.027 0.000 1.279 112 F CB -0.649 38.363 39.000 0.020 0.000 1.044 112 F HN -0.067 nan 8.300 nan 0.000 0.564 113 A N 0.267 123.192 122.820 0.174 0.000 2.547 113 A HA 0.051 4.370 4.320 -0.002 0.000 0.233 113 A C 0.849 178.497 177.584 0.107 0.000 1.067 113 A CA 0.363 52.477 52.037 0.130 0.000 0.763 113 A CB -0.245 18.816 19.000 0.102 0.000 1.007 113 A HN 0.542 nan 8.150 nan 0.000 0.506 114 D N 0.229 120.684 120.400 0.092 0.000 2.699 114 D HA -0.183 4.456 4.640 -0.002 0.000 0.239 114 D C 0.914 177.260 176.300 0.077 0.000 1.136 114 D CA 1.742 55.786 54.000 0.074 0.000 0.668 114 D CB -1.701 39.137 40.800 0.062 0.000 1.060 114 D HN 1.952 nan 8.370 nan 0.000 0.429 115 G N 0.702 109.556 108.800 0.090 0.000 2.361 115 G HA2 -0.393 3.566 3.960 -0.002 0.000 0.294 115 G HA3 -0.393 3.566 3.960 -0.002 0.000 0.294 115 G C 0.264 175.230 174.900 0.111 0.000 1.004 115 G CA 0.667 45.825 45.100 0.096 0.000 0.870 115 G HN 0.590 nan 8.290 nan 0.000 0.510 116 N N 0.341 119.116 118.700 0.125 0.000 2.452 116 N HA 0.473 5.212 4.740 -0.002 0.000 0.266 116 N C 0.352 175.976 175.510 0.191 0.000 1.209 116 N CA 0.803 53.915 53.050 0.103 0.000 0.929 116 N CB 0.500 39.009 38.487 0.037 0.000 1.063 116 N HN 0.699 nan 8.380 nan 0.000 0.472 117 A N 4.841 127.752 122.820 0.152 0.000 3.105 117 A HA 0.346 4.665 4.320 -0.002 0.000 0.336 117 A C -2.292 175.381 177.584 0.150 0.000 1.042 117 A CA -1.128 51.039 52.037 0.216 0.000 0.851 117 A CB -0.042 19.050 19.000 0.154 0.000 1.068 117 A HN 0.617 nan 8.150 nan 0.000 0.477 118 P HA 0.140 nan 4.420 nan 0.000 0.271 118 P C 0.063 177.429 177.300 0.109 0.000 1.218 118 P CA 0.044 63.175 63.100 0.052 0.000 0.780 118 P CB 0.985 32.650 31.700 -0.059 0.000 0.901 119 Q N 0.821 120.670 119.800 0.082 0.000 2.391 119 Q HA 0.070 4.409 4.340 -0.002 0.000 0.211 119 Q C 0.668 176.722 176.000 0.090 0.000 0.908 119 Q CA 0.479 56.334 55.803 0.086 0.000 0.920 119 Q CB 0.601 29.373 28.738 0.057 0.000 1.056 119 Q HN 0.386 nan 8.270 nan 0.000 0.523 120 R N 0.858 121.415 120.500 0.096 0.000 2.507 120 R HA 0.451 4.790 4.340 -0.002 0.000 0.298 120 R C -1.640 174.815 176.300 0.258 0.000 1.087 120 R CA -0.143 56.040 56.100 0.138 0.000 0.917 120 R CB 1.251 31.579 30.300 0.048 0.000 1.173 120 R HN -0.159 nan 8.270 nan 0.000 0.472 124 V N 1.586 121.467 119.914 -0.055 0.000 2.407 124 V HA 0.285 4.404 4.120 -0.002 0.000 0.245 124 V C 1.320 177.473 176.094 0.098 0.000 1.041 124 V CA 1.513 63.832 62.300 0.031 0.000 1.040 124 V CB -0.261 31.602 31.823 0.067 0.000 0.671 124 V HN 0.701 nan 8.190 nan 0.000 0.455 125 A N -0.597 122.259 122.820 0.060 0.000 2.664 125 A HA 0.773 5.093 4.320 -0.002 0.000 0.338 125 A C 0.868 178.487 177.584 0.057 0.000 1.280 125 A CA 0.293 52.376 52.037 0.076 0.000 0.809 125 A CB 0.939 19.971 19.000 0.054 0.000 1.114 125 A HN 0.311 nan 8.150 nan 0.000 0.479 126 A N 1.677 124.539 122.820 0.071 0.000 1.984 126 A HA 0.555 4.874 4.320 -0.002 0.000 0.214 126 A C 1.496 179.123 177.584 0.072 0.000 1.173 126 A CA 0.962 53.035 52.037 0.060 0.000 0.673 126 A CB -0.362 18.676 19.000 0.064 0.000 0.830 126 A HN 1.625 nan 8.150 nan 0.000 0.453 127 A N 0.897 123.770 122.820 0.087 0.000 2.520 127 A HA 0.429 4.749 4.320 -0.002 0.000 0.235 127 A C -1.133 176.504 177.584 0.088 0.000 1.065 127 A CA -0.357 51.737 52.037 0.096 0.000 0.764 127 A CB -0.059 19.000 19.000 0.097 0.000 1.002 127 A HN 0.285 nan 8.150 nan 0.000 0.502 128 P HA 0.216 nan 4.420 nan 0.000 0.261 128 P C 0.720 178.130 177.300 0.184 0.000 1.352 128 P CA 0.940 64.125 63.100 0.141 0.000 0.891 128 P CB 0.518 32.315 31.700 0.162 0.000 1.383 129 G N -0.530 108.348 108.800 0.130 0.000 2.255 129 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.196 129 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.196 129 G C 1.329 176.196 174.900 -0.055 0.000 0.998 129 G CA 0.289 45.466 45.100 0.127 0.000 0.656 129 G HN 0.206 nan 8.290 nan 0.000 0.490 130 S N 0.853 116.402 115.700 -0.251 0.000 2.393 130 S HA -0.251 4.218 4.470 -0.002 0.000 0.235 130 S C 2.175 176.516 174.600 -0.432 0.000 1.061 130 S CA 1.964 59.731 58.200 -0.722 0.000 1.129 130 S CB -0.297 62.696 63.200 -0.345 0.000 1.011 130 S HN 0.709 nan 8.310 nan 0.000 0.436 131 K N 0.475 120.766 120.400 -0.181 0.000 2.076 131 K HA 0.012 4.331 4.320 -0.002 0.000 0.204 131 K C 2.482 179.058 176.600 -0.040 0.000 1.051 131 K CA 1.481 57.714 56.287 -0.091 0.000 0.949 131 K CB -0.719 31.763 32.500 -0.029 0.000 0.726 131 K HN 0.454 nan 8.250 nan 0.000 0.443 132 T N 1.384 115.928 114.554 -0.016 0.000 2.720 132 T HA -0.184 4.165 4.350 -0.002 0.000 0.268 132 T C 2.291 177.016 174.700 0.041 0.000 1.037 132 T CA 2.160 64.278 62.100 0.031 0.000 1.144 132 T CB -0.896 68.004 68.868 0.052 0.000 0.864 132 T HN 0.436 nan 8.240 nan 0.000 0.444 133 T N 0.704 115.273 114.554 0.026 0.000 2.746 133 T HA -0.198 4.151 4.350 -0.002 0.000 0.267 133 T C 2.039 176.749 174.700 0.017 0.000 1.039 133 T CA 1.392 63.524 62.100 0.055 0.000 1.142 133 T CB -0.502 68.448 68.868 0.136 0.000 0.866 133 T HN 0.430 nan 8.240 nan 0.000 0.444 134 Q N 0.541 120.319 119.800 -0.037 0.000 2.079 134 Q HA -0.021 4.318 4.340 -0.002 0.000 0.200 134 Q C 2.394 178.389 176.000 -0.008 0.000 0.974 134 Q CA 1.301 57.081 55.803 -0.038 0.000 0.840 134 Q CB -0.333 28.365 28.738 -0.066 0.000 0.898 134 Q HN 0.660 nan 8.270 nan 0.000 0.430 135 I N 0.093 120.704 120.570 0.069 0.000 2.118 135 I HA -0.334 3.835 4.170 -0.002 0.000 0.241 135 I C 2.653 178.823 176.117 0.089 0.000 1.070 135 I CA 1.336 62.748 61.300 0.187 0.000 1.327 135 I CB -0.541 37.601 38.000 0.237 0.000 1.034 135 I HN 0.225 nan 8.210 nan 0.000 0.405 136 S N 0.542 116.285 115.700 0.072 0.000 2.359 136 S HA -0.291 4.178 4.470 -0.002 0.000 0.222 136 S C 2.292 176.892 174.600 0.000 0.000 1.038 136 S CA 1.809 60.043 58.200 0.056 0.000 1.051 136 S CB -0.490 62.748 63.200 0.064 0.000 0.944 136 S HN 0.479 nan 8.310 nan 0.000 0.433 137 A N 1.949 124.759 122.820 -0.018 0.000 1.915 137 A HA -0.156 4.163 4.320 -0.002 0.000 0.220 137 A C 1.713 179.222 177.584 -0.126 0.000 1.198 137 A CA 1.625 53.631 52.037 -0.051 0.000 0.647 137 A CB -0.795 18.179 19.000 -0.044 0.000 0.825 137 A HN 0.654 nan 8.150 nan 0.000 0.456 141 N N 0.300 119.016 118.700 0.027 0.000 2.815 141 N HA -0.180 4.559 4.740 -0.002 0.000 0.247 141 N C -0.711 174.835 175.510 0.061 0.000 1.030 141 N CA 1.326 54.405 53.050 0.048 0.000 0.881 141 N CB -0.283 38.232 38.487 0.046 0.000 1.134 141 N HN 0.497 nan 8.380 nan 0.000 0.582 142 E N -0.155 120.081 120.200 0.060 0.000 2.292 142 E HA 0.588 4.937 4.350 -0.002 0.000 0.258 142 E C 1.564 178.211 176.600 0.078 0.000 1.115 142 E CA 0.207 56.648 56.400 0.068 0.000 0.929 142 E CB -0.013 29.724 29.700 0.062 0.000 1.161 142 E HN 0.364 nan 8.360 nan 0.000 0.453 143 G N 0.154 108.999 108.800 0.074 0.000 2.564 143 G HA2 0.016 3.975 3.960 -0.002 0.000 0.273 143 G HA3 0.016 3.975 3.960 -0.002 0.000 0.273 143 G C -0.490 174.454 174.900 0.074 0.000 1.242 143 G CA 0.246 45.391 45.100 0.075 0.000 0.951 143 G HN 1.002 nan 8.290 nan 0.000 0.564 144 A N -1.437 121.432 122.820 0.083 0.000 2.604 144 A HA 0.787 5.106 4.320 -0.002 0.000 0.295 144 A C -0.844 176.810 177.584 0.116 0.000 1.067 144 A CA -0.064 52.022 52.037 0.082 0.000 0.683 144 A CB 1.317 20.347 19.000 0.050 0.000 1.281 144 A HN 1.452 nan 8.150 nan 0.000 0.407 145 I N 0.951 121.590 120.570 0.114 0.000 2.545 145 I HA 0.447 4.616 4.170 -0.002 0.000 0.292 145 I C -0.801 175.395 176.117 0.132 0.000 1.040 145 I CA -0.505 60.867 61.300 0.119 0.000 1.068 145 I CB 2.105 40.162 38.000 0.095 0.000 1.251 145 I HN 0.614 nan 8.210 nan 0.000 0.424 146 L N 5.828 127.119 121.223 0.114 0.000 2.276 146 L HA 0.704 5.043 4.340 -0.002 0.000 0.286 146 L C -0.131 176.730 176.870 -0.015 0.000 1.024 146 L CA -0.359 54.539 54.840 0.098 0.000 0.826 146 L CB 0.977 43.102 42.059 0.111 0.000 1.211 146 L HN 0.758 nan 8.230 nan 0.000 0.422 147 A N 4.210 127.061 122.820 0.052 0.000 2.280 147 A HA 0.384 4.703 4.320 -0.002 0.000 0.320 147 A C -0.507 177.117 177.584 0.068 0.000 1.366 147 A CA -0.574 51.488 52.037 0.042 0.000 0.938 147 A CB 0.235 19.278 19.000 0.072 0.000 1.157 147 A HN 0.761 nan 8.150 nan 0.000 0.536 148 N N 1.813 120.553 118.700 0.067 0.000 2.487 148 N HA 0.416 5.155 4.740 -0.002 0.000 0.292 148 N C -0.850 174.759 175.510 0.164 0.000 1.108 148 N CA 0.004 53.155 53.050 0.169 0.000 0.956 148 N CB 0.970 39.661 38.487 0.341 0.000 1.176 148 N HN 0.472 nan 8.380 nan 0.000 0.484 149 E N 3.060 123.365 120.200 0.175 0.000 2.274 149 E HA 0.162 4.511 4.350 -0.002 0.000 0.269 149 E C -0.428 176.315 176.600 0.238 0.000 0.891 149 E CA -0.455 56.055 56.400 0.183 0.000 0.784 149 E CB 0.789 30.565 29.700 0.127 0.000 1.225 149 E HN 0.613 nan 8.360 nan 0.000 0.412 150 F N 2.477 122.509 119.950 0.137 0.000 2.113 150 F HA -0.041 4.486 4.527 -0.001 0.000 0.297 150 F C 1.380 177.298 175.800 0.196 0.000 1.103 150 F CA 1.111 59.173 58.000 0.103 0.000 1.248 150 F CB 0.351 39.371 39.000 0.034 0.000 0.999 150 F HN 0.307 nan 8.300 nan 0.000 0.475 151 S N 0.123 115.992 115.700 0.283 0.000 2.481 151 S HA 0.420 4.889 4.470 -0.002 0.000 0.276 151 S C 1.129 175.777 174.600 0.081 0.000 1.247 151 S CA -0.080 58.241 58.200 0.202 0.000 1.053 151 S CB 1.093 64.399 63.200 0.177 0.000 0.925 151 S HN 0.469 nan 8.310 nan 0.000 0.491 152 A N 4.739 127.568 122.820 0.014 0.000 1.883 152 A HA -0.097 4.222 4.320 -0.002 0.000 0.217 152 A C 2.401 179.902 177.584 -0.138 0.000 1.186 152 A CA 2.243 54.102 52.037 -0.297 0.000 0.624 152 A CB -1.410 17.428 19.000 -0.269 0.000 0.822 152 A HN 1.218 nan 8.150 nan 0.000 0.444 153 S N -0.565 115.112 115.700 -0.038 0.000 2.399 153 S HA -0.170 4.300 4.470 -0.002 0.000 0.231 153 S C 1.895 176.502 174.600 0.010 0.000 1.022 153 S CA 1.366 59.561 58.200 -0.008 0.000 0.983 153 S CB -0.345 62.863 63.200 0.015 0.000 0.803 153 S HN 0.592 nan 8.310 nan 0.000 0.480 154 R N 0.470 120.986 120.500 0.026 0.000 2.297 154 R HA 0.233 4.572 4.340 -0.002 0.000 0.197 154 R C 1.662 177.992 176.300 0.051 0.000 0.943 154 R CA 0.279 56.409 56.100 0.050 0.000 1.038 154 R CB -0.215 30.128 30.300 0.073 0.000 0.957 154 R HN 0.345 nan 8.270 nan 0.000 0.484 155 V N 1.434 121.354 119.914 0.011 0.000 2.343 155 V HA -0.284 3.835 4.120 -0.002 0.000 0.247 155 V C 1.839 177.972 176.094 0.065 0.000 1.051 155 V CA 1.926 64.232 62.300 0.010 0.000 1.036 155 V CB -0.296 31.466 31.823 -0.102 0.000 0.654 155 V HN 0.394 nan 8.190 nan 0.000 0.451 156 K N -0.060 120.372 120.400 0.053 0.000 2.148 156 K HA -0.059 4.260 4.320 -0.002 0.000 0.204 156 K C 1.982 178.642 176.600 0.101 0.000 1.050 156 K CA 1.120 57.465 56.287 0.097 0.000 0.942 156 K CB -0.419 32.115 32.500 0.057 0.000 0.724 156 K HN 0.355 nan 8.250 nan 0.000 0.446 157 V N 1.812 121.774 119.914 0.080 0.000 2.453 157 V HA -0.188 3.931 4.120 -0.002 0.000 0.247 157 V C 2.166 178.325 176.094 0.108 0.000 1.048 157 V CA 1.165 63.513 62.300 0.079 0.000 1.049 157 V CB -0.371 31.497 31.823 0.075 0.000 0.672 157 V HN 0.214 nan 8.190 nan 0.000 0.457 158 L N -0.107 121.193 121.223 0.129 0.000 2.046 158 L HA -0.190 4.150 4.340 -0.002 0.000 0.208 158 L C 2.533 179.520 176.870 0.194 0.000 1.077 158 L CA 2.233 57.165 54.840 0.154 0.000 0.747 158 L CB -0.702 41.439 42.059 0.136 0.000 0.896 158 L HN 0.485 nan 8.230 nan 0.000 0.432 159 H N -0.324 118.793 119.070 0.078 0.000 2.357 159 H HA 0.003 4.558 4.556 -0.002 0.000 0.301 159 H C 2.011 177.385 175.328 0.078 0.000 1.082 159 H CA 1.405 57.503 56.048 0.083 0.000 1.342 159 H CB -0.251 29.558 29.762 0.079 0.000 1.389 159 H HN 0.411 nan 8.280 nan 0.000 0.511 160 A N 0.702 123.493 122.820 -0.048 0.000 1.877 160 A HA -0.196 4.123 4.320 -0.002 0.000 0.216 160 A C 2.365 179.922 177.584 -0.044 0.000 1.186 160 A CA 1.678 53.639 52.037 -0.127 0.000 0.620 160 A CB -0.574 18.392 19.000 -0.055 0.000 0.822 160 A HN 0.623 nan 8.150 nan 0.000 0.443 161 N N -0.329 118.390 118.700 0.032 0.000 2.244 161 N HA -0.049 4.690 4.740 -0.002 0.000 0.183 161 N C 1.732 177.293 175.510 0.086 0.000 1.016 161 N CA 1.295 54.374 53.050 0.048 0.000 0.866 161 N CB -0.189 38.381 38.487 0.138 0.000 0.980 161 N HN 0.522 nan 8.380 nan 0.000 0.430 162 I N 0.170 120.812 120.570 0.121 0.000 2.202 162 I HA -0.208 3.961 4.170 -0.002 0.000 0.242 162 I C 2.510 178.680 176.117 0.089 0.000 1.091 162 I CA 0.768 62.149 61.300 0.134 0.000 1.368 162 I CB -0.339 37.775 38.000 0.191 0.000 1.058 162 I HN 0.046 nan 8.210 nan 0.000 0.410 163 S N 0.419 116.149 115.700 0.051 0.000 2.419 163 S HA -0.201 4.268 4.470 -0.002 0.000 0.233 163 S C 2.163 176.779 174.600 0.025 0.000 1.016 163 S CA 1.329 59.542 58.200 0.021 0.000 0.974 163 S CB -0.269 62.878 63.200 -0.088 0.000 0.786 163 S HN 0.291 nan 8.310 nan 0.000 0.492 164 R N -0.399 120.108 120.500 0.011 0.000 2.115 164 R HA 0.027 4.366 4.340 -0.002 0.000 0.226 164 R C 1.636 177.921 176.300 -0.025 0.000 1.100 164 R CA 1.572 57.670 56.100 -0.004 0.000 0.980 164 R CB -0.257 29.997 30.300 -0.077 0.000 0.875 164 R HN 0.510 nan 8.270 nan 0.000 0.445 165 C N -0.196 119.100 119.300 -0.006 0.000 2.791 165 C HA 0.381 4.840 4.460 -0.002 0.000 0.270 165 C C 1.115 176.117 174.990 0.020 0.000 1.257 165 C CA -0.045 58.975 59.018 0.003 0.000 1.699 165 C CB -0.418 27.347 27.740 0.041 0.000 1.904 165 C HN 0.717 nan 8.230 nan 0.000 0.603 166 G N 1.673 110.487 108.800 0.023 0.000 2.272 166 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.280 166 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.280 166 G C -0.303 174.621 174.900 0.040 0.000 1.067 166 G CA -0.186 44.926 45.100 0.020 0.000 0.902 166 G HN 0.546 nan 8.290 nan 0.000 0.500 167 I N 1.019 121.625 120.570 0.060 0.000 2.441 167 I HA 0.392 4.561 4.170 -0.002 0.000 0.287 167 I C 1.485 177.653 176.117 0.084 0.000 1.049 167 I CA 0.753 62.097 61.300 0.073 0.000 1.381 167 I CB 1.720 39.773 38.000 0.088 0.000 1.409 167 I HN 0.297 nan 8.210 nan 0.000 0.523 168 S N 2.390 118.139 115.700 0.082 0.000 2.578 168 S HA 0.051 4.520 4.470 -0.002 0.000 0.228 168 S C 0.800 175.457 174.600 0.095 0.000 1.022 168 S CA -0.210 58.044 58.200 0.090 0.000 0.967 168 S CB -0.232 63.019 63.200 0.085 0.000 0.914 168 S HN 0.724 nan 8.310 nan 0.000 0.515 169 N N 1.467 120.219 118.700 0.087 0.000 2.327 169 N HA 0.219 4.958 4.740 -0.002 0.000 0.231 169 N C -0.525 175.032 175.510 0.080 0.000 1.130 169 N CA -0.299 52.800 53.050 0.081 0.000 0.845 169 N CB 0.248 38.783 38.487 0.080 0.000 1.073 169 N HN 0.264 nan 8.380 nan 0.000 0.496 170 V N 0.043 120.010 119.914 0.088 0.000 2.555 170 V HA 0.841 4.960 4.120 -0.002 0.000 0.302 170 V C -0.055 176.085 176.094 0.077 0.000 1.038 170 V CA -1.093 61.263 62.300 0.092 0.000 0.887 170 V CB 1.285 33.173 31.823 0.109 0.000 0.991 170 V HN 0.422 nan 8.190 nan 0.000 0.434 171 A N 4.407 127.280 122.820 0.089 0.000 2.354 171 A HA 0.962 5.281 4.320 -0.002 0.000 0.321 171 A C -1.397 176.317 177.584 0.215 0.000 1.125 171 A CA -0.601 51.501 52.037 0.107 0.000 0.799 171 A CB 1.357 20.382 19.000 0.042 0.000 1.293 171 A HN 0.644 nan 8.150 nan 0.000 0.452 172 L N 1.302 122.670 121.223 0.242 0.000 2.333 172 L HA 0.642 4.981 4.340 -0.002 0.000 0.280 172 L C 0.610 177.567 176.870 0.146 0.000 1.004 172 L CA 0.253 55.192 54.840 0.164 0.000 0.820 172 L CB 2.058 44.167 42.059 0.083 0.000 1.247 172 L HN 0.950 nan 8.230 nan 0.000 0.416 173 T N -1.646 112.944 114.554 0.059 0.000 2.926 173 T HA 0.466 4.816 4.350 -0.002 0.000 0.289 173 T C -0.567 174.065 174.700 -0.114 0.000 1.054 173 T CA -0.576 61.463 62.100 -0.102 0.000 1.015 173 T CB 1.534 70.380 68.868 -0.036 0.000 1.167 173 T HN 0.621 nan 8.240 nan 0.000 0.526 174 H N 0.434 119.131 119.070 -0.623 0.000 2.541 174 H HA 0.516 5.071 4.556 -0.001 0.000 0.246 174 H C -1.720 173.166 175.328 -0.737 0.000 1.341 174 H CA -0.838 54.888 56.048 -0.537 0.000 1.469 174 H CB 0.042 29.514 29.762 -0.482 0.000 1.472 174 H HN 0.518 nan 8.280 nan 0.000 0.503 175 F N 1.013 120.889 119.950 -0.122 0.000 2.629 175 F HA 0.114 4.640 4.527 -0.002 0.000 0.316 175 F C 0.652 176.484 175.800 0.054 0.000 1.081 175 F CA -1.161 56.714 58.000 -0.208 0.000 0.954 175 F CB 1.632 40.444 39.000 -0.313 0.000 1.337 175 F HN 0.408 nan 8.300 nan 0.000 0.474 176 D N 0.670 121.293 120.400 0.370 0.000 2.856 176 D HA 0.134 4.773 4.640 -0.002 0.000 0.242 176 D C 1.395 177.735 176.300 0.068 0.000 1.226 176 D CA 0.777 55.011 54.000 0.390 0.000 0.855 176 D CB -0.121 40.819 40.800 0.233 0.000 1.065 176 D HN 0.848 nan 8.370 nan 0.000 0.462 177 G N 2.759 111.598 108.800 0.065 0.000 3.209 177 G HA2 -0.500 3.459 3.960 -0.002 0.000 0.228 177 G HA3 -0.500 3.459 3.960 -0.002 0.000 0.228 177 G C 1.462 176.379 174.900 0.029 0.000 1.262 177 G CA 0.684 45.863 45.100 0.131 0.000 1.033 177 G HN 0.496 nan 8.290 nan 0.000 0.574 178 R N 0.377 120.852 120.500 -0.043 0.000 2.189 178 R HA 0.174 4.513 4.340 -0.002 0.000 0.223 178 R C 2.493 178.726 176.300 -0.111 0.000 1.092 178 R CA 1.160 57.232 56.100 -0.046 0.000 0.989 178 R CB -0.462 29.801 30.300 -0.062 0.000 0.876 178 R HN 0.424 nan 8.270 nan 0.000 0.457 179 V N 1.121 120.875 119.914 -0.266 0.000 2.407 179 V HA -0.230 3.889 4.120 -0.002 0.000 0.248 179 V C 1.937 177.869 176.094 -0.269 0.000 1.055 179 V CA 1.720 63.804 62.300 -0.359 0.000 1.049 179 V CB -0.503 30.966 31.823 -0.590 0.000 0.662 179 V HN 0.175 nan 8.190 nan 0.000 0.455 180 F N 0.794 120.741 119.950 -0.005 0.000 2.091 180 F HA -0.218 4.308 4.527 -0.002 0.000 0.299 180 F C 2.458 178.302 175.800 0.074 0.000 1.103 180 F CA 1.551 59.576 58.000 0.041 0.000 1.228 180 F CB -1.102 37.944 39.000 0.077 0.000 0.984 180 F HN 0.280 nan 8.300 nan 0.000 0.477 181 G N -0.590 108.356 108.800 0.244 0.000 2.469 181 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.220 181 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.220 181 G C 1.694 176.697 174.900 0.171 0.000 1.136 181 G CA 0.978 46.212 45.100 0.222 0.000 0.759 181 G HN 0.490 nan 8.290 nan 0.000 0.562 182 A N 0.237 123.105 122.820 0.081 0.000 1.997 182 A HA 0.641 4.960 4.320 -0.002 0.000 0.212 182 A C 2.608 180.220 177.584 0.048 0.000 1.178 182 A CA 1.403 53.474 52.037 0.056 0.000 0.698 182 A CB -0.278 18.723 19.000 0.002 0.000 0.842 182 A HN 0.627 nan 8.150 nan 0.000 0.458 183 A N -1.156 121.687 122.820 0.038 0.000 1.968 183 A HA 0.291 4.610 4.320 -0.002 0.000 0.217 183 A C 1.242 178.868 177.584 0.070 0.000 1.169 183 A CA 1.675 53.726 52.037 0.023 0.000 0.638 183 A CB -0.143 18.834 19.000 -0.039 0.000 0.812 183 A HN 0.992 nan 8.150 nan 0.000 0.446 184 V N 0.042 120.033 119.914 0.127 0.000 2.886 184 V HA 0.210 4.329 4.120 -0.002 0.000 0.368 184 V C -2.269 173.874 176.094 0.082 0.000 1.313 184 V CA -1.332 61.033 62.300 0.108 0.000 1.491 184 V CB 0.591 32.531 31.823 0.196 0.000 1.345 184 V HN 0.176 nan 8.190 nan 0.000 0.646 185 P HA -0.218 nan 4.420 nan 0.000 0.238 185 P C 0.523 177.815 177.300 -0.014 0.000 0.911 185 P CA 1.570 64.688 63.100 0.030 0.000 1.085 185 P CB 0.314 32.012 31.700 -0.003 0.000 0.698 189 D N 0.451 120.927 120.400 0.127 0.000 2.350 189 D HA 0.484 5.123 4.640 -0.002 0.000 0.213 189 D C 0.193 176.514 176.300 0.035 0.000 1.031 189 D CA 0.516 54.547 54.000 0.051 0.000 0.861 189 D CB 0.568 41.380 40.800 0.019 0.000 0.926 189 D HN 0.641 nan 8.370 nan 0.000 0.520 190 A N -0.176 122.676 122.820 0.053 0.000 2.574 190 A HA 0.681 5.000 4.320 -0.002 0.000 0.297 190 A C -1.435 176.121 177.584 -0.047 0.000 1.062 190 A CA -0.808 51.215 52.037 -0.024 0.000 0.686 190 A CB 1.268 20.188 19.000 -0.132 0.000 1.285 190 A HN 0.113 nan 8.150 nan 0.000 0.403 191 I N 1.094 121.625 120.570 -0.065 0.000 2.730 191 I HA 0.459 4.629 4.170 -0.002 0.000 0.298 191 I C -1.029 175.042 176.117 -0.076 0.000 1.089 191 I CA -0.621 60.604 61.300 -0.124 0.000 1.041 191 I CB 2.302 40.228 38.000 -0.123 0.000 1.235 191 I HN 0.619 nan 8.210 nan 0.000 0.423 192 L N 6.426 127.594 121.223 -0.091 0.000 2.318 192 L HA 0.467 4.806 4.340 -0.002 0.000 0.277 192 L C -1.340 175.508 176.870 -0.037 0.000 1.008 192 L CA -0.753 54.058 54.840 -0.048 0.000 0.846 192 L CB 1.177 43.209 42.059 -0.045 0.000 1.220 192 L HN 0.441 nan 8.230 nan 0.000 0.423 193 L N 4.953 126.172 121.223 -0.007 0.000 2.287 193 L HA 0.417 4.756 4.340 -0.002 0.000 0.280 193 L C -0.655 176.137 176.870 -0.130 0.000 1.055 193 L CA -0.009 54.823 54.840 -0.012 0.000 0.863 193 L CB 0.766 42.886 42.059 0.102 0.000 1.245 193 L HN 0.486 nan 8.230 nan 0.000 0.432 194 D N 4.477 124.806 120.400 -0.118 0.000 2.456 194 D HA 0.459 5.098 4.640 -0.002 0.000 0.219 194 D C -0.294 175.890 176.300 -0.193 0.000 1.126 194 D CA -0.098 53.793 54.000 -0.181 0.000 0.890 194 D CB 1.084 41.840 40.800 -0.073 0.000 1.025 194 D HN 0.662 nan 8.370 nan 0.000 0.511 195 A N 4.601 127.228 122.820 -0.322 0.000 2.363 195 A HA 0.521 4.840 4.320 -0.002 0.000 0.270 195 A C -2.231 175.256 177.584 -0.162 0.000 1.121 195 A CA -1.304 50.607 52.037 -0.210 0.000 0.800 195 A CB 0.244 19.114 19.000 -0.215 0.000 1.052 195 A HN 0.455 nan 8.150 nan 0.000 0.493 196 P HA 0.181 nan 4.420 nan 0.000 0.263 196 P C 0.042 177.292 177.300 -0.083 0.000 1.195 196 P CA 0.099 63.153 63.100 -0.078 0.000 0.762 196 P CB 0.099 31.761 31.700 -0.063 0.000 0.799 197 C N 0.610 119.862 119.300 -0.080 0.000 3.312 197 C HA 0.583 5.042 4.460 -0.002 0.000 0.368 197 C C 1.645 176.618 174.990 -0.028 0.000 2.465 197 C CA 0.141 59.119 59.018 -0.067 0.000 1.359 197 C CB 1.063 28.742 27.740 -0.101 0.000 2.896 197 C HN 0.461 nan 8.230 nan 0.000 0.470 198 S N -0.316 115.394 115.700 0.016 0.000 2.593 198 S HA 0.400 4.869 4.470 -0.002 0.000 0.217 198 S C 1.449 176.121 174.600 0.120 0.000 0.966 198 S CA 0.902 59.160 58.200 0.097 0.000 0.914 198 S CB -0.689 62.631 63.200 0.200 0.000 0.776 198 S HN 2.734 nan 8.310 nan 0.000 0.523 199 G N 2.777 111.605 108.800 0.046 0.000 2.283 199 G HA2 -0.347 3.612 3.960 -0.002 0.000 0.280 199 G HA3 -0.347 3.612 3.960 -0.002 0.000 0.280 199 G C 0.473 175.395 174.900 0.036 0.000 1.029 199 G CA 0.574 45.686 45.100 0.020 0.000 0.840 199 G HN 0.818 nan 8.290 nan 0.000 0.505 200 E N -1.405 118.843 120.200 0.079 0.000 2.427 200 E HA 0.163 4.512 4.350 -0.002 0.000 0.196 200 E C 2.277 178.963 176.600 0.142 0.000 1.028 200 E CA 0.622 57.072 56.400 0.083 0.000 0.864 200 E CB -0.173 29.665 29.700 0.230 0.000 0.813 200 E HN 0.482 nan 8.360 nan 0.000 0.514 201 G N 1.056 109.920 108.800 0.107 0.000 2.712 201 G HA2 -0.057 3.902 3.960 -0.002 0.000 0.212 201 G HA3 -0.057 3.902 3.960 -0.002 0.000 0.212 201 G C 1.314 176.283 174.900 0.115 0.000 1.142 201 G CA 0.101 45.280 45.100 0.131 0.000 0.789 201 G HN 0.202 nan 8.290 nan 0.000 0.535 202 V N 1.728 121.683 119.914 0.070 0.000 3.514 202 V HA -0.004 4.115 4.120 -0.002 0.000 0.301 202 V C 2.417 178.530 176.094 0.031 0.000 1.346 202 V CA 0.619 62.955 62.300 0.061 0.000 1.156 202 V CB 0.321 32.172 31.823 0.046 0.000 1.029 202 V HN 0.309 nan 8.190 nan 0.000 0.428 203 V N -1.451 118.472 119.914 0.016 0.000 2.759 203 V HA -0.146 3.974 4.120 -0.002 0.000 0.256 203 V C 2.360 178.442 176.094 -0.019 0.000 1.080 203 V CA 1.388 63.667 62.300 -0.036 0.000 1.101 203 V CB -1.025 30.746 31.823 -0.087 0.000 0.698 203 V HN 0.462 nan 8.190 nan 0.000 0.477 204 R N 0.669 121.182 120.500 0.022 0.000 2.081 204 R HA -0.132 4.207 4.340 -0.002 0.000 0.235 204 R C 2.440 178.756 176.300 0.027 0.000 1.131 204 R CA 1.892 58.009 56.100 0.028 0.000 0.960 204 R CB -0.295 30.040 30.300 0.058 0.000 0.856 204 R HN 0.464 nan 8.270 nan 0.000 0.436 205 K N 0.418 120.841 120.400 0.039 0.000 2.116 205 K HA -0.076 4.243 4.320 -0.002 0.000 0.203 205 K C -0.282 176.328 176.600 0.016 0.000 1.052 205 K CA 1.046 57.355 56.287 0.037 0.000 0.952 205 K CB 0.278 32.811 32.500 0.055 0.000 0.729 205 K HN -0.083 nan 8.250 nan 0.000 0.446 206 D N -0.902 119.499 120.400 0.003 0.000 2.421 206 D HA 0.240 4.879 4.640 -0.002 0.000 0.254 206 D C -2.371 173.904 176.300 -0.041 0.000 1.238 206 D CA -2.387 51.606 54.000 -0.012 0.000 0.919 206 D CB 1.638 42.436 40.800 -0.003 0.000 1.152 206 D HN -0.147 nan 8.370 nan 0.000 0.552 207 P HA 0.021 nan 4.420 nan 0.000 0.231 207 P C 0.068 177.312 177.300 -0.093 0.000 1.158 207 P CA 0.785 63.831 63.100 -0.089 0.000 0.763 207 P CB 0.389 32.046 31.700 -0.071 0.000 0.805 208 D N -1.630 118.739 120.400 -0.052 0.000 2.441 208 D HA 0.158 4.797 4.640 -0.002 0.000 0.210 208 D C 1.734 178.039 176.300 0.008 0.000 1.102 208 D CA 0.143 54.135 54.000 -0.014 0.000 0.840 208 D CB 0.040 40.822 40.800 -0.030 0.000 0.990 208 D HN -0.001 nan 8.370 nan 0.000 0.505 209 A N 2.209 125.012 122.820 -0.027 0.000 1.893 209 A HA -0.289 4.030 4.320 -0.002 0.000 0.222 209 A C 2.176 179.762 177.584 0.004 0.000 1.309 209 A CA 2.363 54.390 52.037 -0.016 0.000 0.681 209 A CB -0.928 18.053 19.000 -0.031 0.000 0.842 209 A HN 0.289 nan 8.150 nan 0.000 0.468 210 L N -3.134 118.068 121.223 -0.036 0.000 2.131 210 L HA 0.116 4.455 4.340 -0.002 0.000 0.206 210 L C 1.734 178.674 176.870 0.116 0.000 1.087 210 L CA 1.769 56.613 54.840 0.006 0.000 0.767 210 L CB -1.027 40.932 42.059 -0.167 0.000 0.917 210 L HN 0.405 nan 8.230 nan 0.000 0.441 211 K N 0.173 120.689 120.400 0.194 0.000 3.631 211 K HA -0.404 3.915 4.320 -0.002 0.000 0.258 211 K C 0.844 177.622 176.600 0.297 0.000 0.760 211 K CA 2.750 59.265 56.287 0.379 0.000 1.075 211 K CB -1.154 31.445 32.500 0.165 0.000 1.354 211 K HN 0.512 nan 8.250 nan 0.000 0.651 212 N N -0.082 118.726 118.700 0.181 0.000 2.597 212 N HA 0.083 4.822 4.740 -0.002 0.000 0.269 212 N C -0.848 174.759 175.510 0.162 0.000 1.204 212 N CA -0.281 52.857 53.050 0.147 0.000 0.947 212 N CB 0.060 38.593 38.487 0.076 0.000 1.258 212 N HN 0.261 nan 8.380 nan 0.000 0.508 213 W N 1.170 122.471 121.300 0.002 0.000 2.272 213 W HA 0.415 5.074 4.660 -0.002 0.000 0.318 213 W C -0.107 176.420 176.519 0.014 0.000 1.255 213 W CA -0.139 57.195 57.345 -0.018 0.000 1.200 213 W CB 0.752 30.159 29.460 -0.089 0.000 1.170 213 W HN -0.133 nan 8.180 nan 0.000 0.549 214 S N 6.398 121.752 115.700 -0.577 0.000 2.592 214 S HA 0.283 4.752 4.470 -0.002 0.000 0.275 214 S C -1.926 172.206 174.600 -0.779 0.000 1.169 214 S CA -1.181 56.711 58.200 -0.513 0.000 0.958 214 S CB 1.607 64.696 63.200 -0.186 0.000 1.095 214 S HN 0.322 nan 8.310 nan 0.000 0.471 215 P HA -0.131 nan 4.420 nan 0.000 0.217 215 P C 0.706 177.836 177.300 -0.285 0.000 1.148 215 P CA 1.428 64.261 63.100 -0.445 0.000 0.834 215 P CB 0.204 31.783 31.700 -0.203 0.000 0.783 216 E N -1.024 119.040 120.200 -0.226 0.000 2.033 216 E HA -0.102 4.247 4.350 -0.002 0.000 0.189 216 E C 2.163 178.658 176.600 -0.175 0.000 0.979 216 E CA 1.284 57.589 56.400 -0.159 0.000 0.802 216 E CB -1.152 28.481 29.700 -0.111 0.000 0.763 216 E HN 0.064 nan 8.360 nan 0.000 0.449 217 S N 0.156 115.735 115.700 -0.201 0.000 2.440 217 S HA -0.217 4.253 4.470 -0.002 0.000 0.240 217 S C 1.584 176.050 174.600 -0.224 0.000 1.014 217 S CA 1.575 59.659 58.200 -0.194 0.000 0.980 217 S CB -0.373 62.712 63.200 -0.193 0.000 0.775 217 S HN 0.262 nan 8.310 nan 0.000 0.499 218 N N -0.665 117.860 118.700 -0.293 0.000 2.336 218 N HA 0.015 4.754 4.740 -0.002 0.000 0.177 218 N C 1.778 177.180 175.510 -0.180 0.000 1.018 218 N CA 0.570 53.464 53.050 -0.259 0.000 0.878 218 N CB -0.056 38.224 38.487 -0.344 0.000 0.997 218 N HN 0.356 nan 8.380 nan 0.000 0.433 219 Q N 1.414 121.112 119.800 -0.169 0.000 2.135 219 Q HA -0.136 4.203 4.340 -0.002 0.000 0.204 219 Q C 1.491 177.408 176.000 -0.137 0.000 0.981 219 Q CA 1.309 57.029 55.803 -0.138 0.000 0.856 219 Q CB -0.178 28.489 28.738 -0.119 0.000 0.902 219 Q HN 0.472 nan 8.270 nan 0.000 0.425 220 E N 0.158 120.278 120.200 -0.133 0.000 2.047 220 E HA -0.102 4.247 4.350 -0.002 0.000 0.191 220 E C 2.118 178.641 176.600 -0.127 0.000 0.987 220 E CA 0.664 56.990 56.400 -0.124 0.000 0.799 220 E CB -0.076 29.557 29.700 -0.112 0.000 0.752 220 E HN 0.281 nan 8.360 nan 0.000 0.449 221 I N 0.971 121.465 120.570 -0.127 0.000 2.194 221 I HA -0.321 3.848 4.170 -0.002 0.000 0.246 221 I C 2.452 178.500 176.117 -0.115 0.000 1.093 221 I CA 1.097 62.329 61.300 -0.113 0.000 1.355 221 I CB -0.300 37.637 38.000 -0.105 0.000 1.046 221 I HN 0.132 nan 8.210 nan 0.000 0.413 222 A N 0.516 123.257 122.820 -0.130 0.000 1.930 222 A HA -0.104 4.215 4.320 -0.002 0.000 0.217 222 A C 2.535 179.991 177.584 -0.213 0.000 1.175 222 A CA 1.617 53.563 52.037 -0.151 0.000 0.627 222 A CB -0.679 18.228 19.000 -0.154 0.000 0.815 222 A HN 0.440 nan 8.150 nan 0.000 0.443 223 A N -0.866 121.831 122.820 -0.205 0.000 1.877 223 A HA -0.113 4.206 4.320 -0.002 0.000 0.216 223 A C 2.300 179.757 177.584 -0.212 0.000 1.186 223 A CA 2.355 54.251 52.037 -0.234 0.000 0.620 223 A CB -1.425 17.470 19.000 -0.175 0.000 0.822 223 A HN 0.403 nan 8.150 nan 0.000 0.443 224 T N -0.239 114.222 114.554 -0.156 0.000 2.624 224 T HA -0.267 4.082 4.350 -0.002 0.000 0.268 224 T C 2.090 176.729 174.700 -0.101 0.000 1.041 224 T CA 2.117 64.143 62.100 -0.123 0.000 1.159 224 T CB -0.307 68.493 68.868 -0.113 0.000 0.863 224 T HN 0.619 nan 8.240 nan 0.000 0.434 225 Q N -0.044 119.699 119.800 -0.095 0.000 2.170 225 Q HA -0.084 4.255 4.340 -0.002 0.000 0.203 225 Q C 2.648 178.604 176.000 -0.074 0.000 0.976 225 Q CA 1.058 56.849 55.803 -0.020 0.000 0.858 225 Q CB 0.058 28.812 28.738 0.028 0.000 0.907 225 Q HN 0.347 nan 8.270 nan 0.000 0.433 226 R N 0.450 120.778 120.500 -0.287 0.000 2.070 226 R HA -0.140 4.199 4.340 -0.002 0.000 0.232 226 R C 1.980 178.188 176.300 -0.154 0.000 1.138 226 R CA 1.551 57.327 56.100 -0.540 0.000 0.936 226 R CB -0.723 28.780 30.300 -1.328 0.000 0.839 226 R HN 0.389 nan 8.270 nan 0.000 0.429 227 E N 0.986 121.112 120.200 -0.124 0.000 2.118 227 E HA -0.128 4.221 4.350 -0.002 0.000 0.195 227 E C 2.200 178.843 176.600 0.071 0.000 0.992 227 E CA 0.863 57.270 56.400 0.011 0.000 0.804 227 E CB -0.164 29.515 29.700 -0.035 0.000 0.741 227 E HN 0.196 nan 8.360 nan 0.000 0.458 228 L N 0.154 121.411 121.223 0.056 0.000 2.017 228 L HA -0.197 4.142 4.340 -0.002 0.000 0.208 228 L C 2.489 179.469 176.870 0.183 0.000 1.073 228 L CA 0.835 55.739 54.840 0.107 0.000 0.745 228 L CB -0.208 41.908 42.059 0.095 0.000 0.894 228 L HN 0.213 nan 8.230 nan 0.000 0.432 229 I N -0.235 120.464 120.570 0.216 0.000 2.353 229 I HA -0.276 3.893 4.170 -0.002 0.000 0.248 229 I C 1.986 178.300 176.117 0.329 0.000 1.119 229 I CA 1.445 62.907 61.300 0.271 0.000 1.417 229 I CB -0.143 37.980 38.000 0.205 0.000 1.078 229 I HN 0.231 nan 8.210 nan 0.000 0.421 230 D N -0.552 120.074 120.400 0.376 0.000 2.084 230 D HA -0.211 4.428 4.640 -0.002 0.000 0.194 230 D C 2.342 178.838 176.300 0.327 0.000 0.990 230 D CA 1.701 55.957 54.000 0.426 0.000 0.826 230 D CB -0.211 40.855 40.800 0.442 0.000 0.971 230 D HN 0.309 nan 8.370 nan 0.000 0.453 231 S N -0.874 114.953 115.700 0.211 0.000 2.368 231 S HA -0.252 4.217 4.470 -0.002 0.000 0.226 231 S C 2.076 176.837 174.600 0.268 0.000 1.044 231 S CA 2.024 60.334 58.200 0.184 0.000 1.062 231 S CB -0.722 62.568 63.200 0.150 0.000 0.931 231 S HN 0.407 nan 8.310 nan 0.000 0.440 232 A N 0.329 123.308 122.820 0.264 0.000 1.883 232 A HA -0.093 4.226 4.320 -0.002 0.000 0.217 232 A C 1.992 179.737 177.584 0.268 0.000 1.186 232 A CA 1.855 54.032 52.037 0.234 0.000 0.624 232 A CB -1.083 18.037 19.000 0.200 0.000 0.822 232 A HN 0.635 nan 8.150 nan 0.000 0.444 233 F N 0.022 120.057 119.950 0.142 0.000 2.216 233 F HA -0.140 4.386 4.527 -0.001 0.000 0.300 233 F C 2.117 177.939 175.800 0.037 0.000 1.085 233 F CA 1.957 59.997 58.000 0.068 0.000 1.326 233 F CB -0.401 38.616 39.000 0.028 0.000 1.027 233 F HN 0.396 nan 8.300 nan 0.000 0.497 234 H N -0.881 118.206 119.070 0.029 0.000 2.428 234 H HA 0.190 4.745 4.556 -0.002 0.000 0.296 234 H C 2.067 177.374 175.328 -0.035 0.000 1.062 234 H CA 1.137 57.149 56.048 -0.061 0.000 1.350 234 H CB -0.242 29.548 29.762 0.048 0.000 1.403 234 H HN 0.220 nan 8.280 nan 0.000 0.533 235 A N 0.009 122.936 122.820 0.177 0.000 2.251 235 A HA 0.159 4.478 4.320 -0.002 0.000 0.209 235 A C 0.388 178.088 177.584 0.192 0.000 1.187 235 A CA -0.167 52.001 52.037 0.218 0.000 0.823 235 A CB -0.226 18.980 19.000 0.342 0.000 0.846 235 A HN 0.218 nan 8.150 nan 0.000 0.486 236 L N 0.552 121.786 121.223 0.018 0.000 2.257 236 L HA 0.362 4.701 4.340 -0.002 0.000 0.290 236 L C 0.558 177.341 176.870 -0.145 0.000 1.044 236 L CA -0.582 54.242 54.840 -0.028 0.000 0.810 236 L CB 0.560 42.576 42.059 -0.072 0.000 1.193 236 L HN 0.320 nan 8.230 nan 0.000 0.425 237 R N 5.596 126.051 120.500 -0.076 0.000 2.638 237 R HA 0.090 4.429 4.340 -0.002 0.000 0.268 237 R C -2.140 174.079 176.300 -0.135 0.000 1.006 237 R CA -1.046 54.990 56.100 -0.106 0.000 1.088 237 R CB 0.300 30.559 30.300 -0.067 0.000 0.950 237 R HN 0.486 nan 8.270 nan 0.000 0.419 238 P HA -0.018 nan 4.420 nan 0.000 0.265 238 P C 0.252 177.507 177.300 -0.075 0.000 1.193 238 P CA 1.090 64.113 63.100 -0.128 0.000 0.765 238 P CB 0.721 32.355 31.700 -0.111 0.000 0.823 239 G N 1.566 110.334 108.800 -0.053 0.000 2.258 239 G HA2 -0.163 3.796 3.960 -0.002 0.000 0.233 239 G HA3 -0.163 3.796 3.960 -0.002 0.000 0.233 239 G C 0.639 175.532 174.900 -0.012 0.000 1.006 239 G CA -0.132 44.953 45.100 -0.024 0.000 0.620 239 G HN 0.889 nan 8.290 nan 0.000 0.511 240 G N -0.289 108.498 108.800 -0.021 0.000 2.572 240 G HA2 0.540 4.499 3.960 -0.002 0.000 0.261 240 G HA3 0.540 4.499 3.960 -0.002 0.000 0.261 240 G C -0.076 174.837 174.900 0.022 0.000 1.197 240 G CA 0.814 45.912 45.100 -0.003 0.000 0.870 240 G HN 0.515 nan 8.290 nan 0.000 0.548 241 T N 0.078 114.643 114.554 0.018 0.000 2.902 241 T HA 0.482 4.831 4.350 -0.002 0.000 0.283 241 T C -0.688 174.042 174.700 0.050 0.000 1.009 241 T CA -0.118 62.004 62.100 0.036 0.000 1.051 241 T CB 1.384 70.248 68.868 -0.007 0.000 0.999 241 T HN 0.496 nan 8.240 nan 0.000 0.474 242 L N 3.451 124.734 121.223 0.099 0.000 2.409 242 L HA 0.762 5.101 4.340 -0.002 0.000 0.272 242 L C -1.427 175.510 176.870 0.112 0.000 0.980 242 L CA -0.621 54.287 54.840 0.113 0.000 0.826 242 L CB 1.720 43.901 42.059 0.203 0.000 1.268 242 L HN 0.411 nan 8.230 nan 0.000 0.407 243 V N 5.562 125.519 119.914 0.072 0.000 2.370 243 V HA 0.376 4.496 4.120 -0.002 0.000 0.283 243 V C -1.099 175.057 176.094 0.104 0.000 1.023 243 V CA -0.405 61.934 62.300 0.064 0.000 0.857 243 V CB 1.282 33.107 31.823 0.004 0.000 0.985 243 V HN 0.749 nan 8.190 nan 0.000 0.443 244 Y N 5.216 125.504 120.300 -0.021 0.000 2.331 244 Y HA 0.688 5.237 4.550 -0.001 0.000 0.338 244 Y C 0.202 176.078 175.900 -0.039 0.000 0.992 244 Y CA -0.301 57.790 58.100 -0.016 0.000 1.121 244 Y CB 1.681 40.140 38.460 -0.003 0.000 1.184 244 Y HN 0.675 nan 8.280 nan 0.000 0.469 245 S N 3.606 118.993 115.700 -0.521 0.000 2.546 245 S HA 0.846 5.315 4.470 -0.002 0.000 0.274 245 S C -0.790 173.452 174.600 -0.598 0.000 1.121 245 S CA -0.327 57.660 58.200 -0.355 0.000 0.887 245 S CB 1.720 64.906 63.200 -0.024 0.000 1.094 245 S HN 0.923 nan 8.310 nan 0.000 0.474 246 T N -1.957 112.288 114.554 -0.514 0.000 2.883 246 T HA 0.532 4.881 4.350 -0.002 0.000 0.296 246 T C -0.063 174.134 174.700 -0.839 0.000 1.117 246 T CA -0.781 60.984 62.100 -0.557 0.000 1.006 246 T CB 0.988 69.662 68.868 -0.323 0.000 1.191 246 T HN 0.725 nan 8.240 nan 0.000 0.508 247 C N 1.482 120.404 119.300 -0.630 0.000 2.435 247 C HA 0.536 4.995 4.460 -0.002 0.000 0.326 247 C C 1.117 175.977 174.990 -0.217 0.000 1.328 247 C CA -0.297 58.413 59.018 -0.513 0.000 1.741 247 C CB -2.015 25.554 27.740 -0.285 0.000 1.998 247 C HN 0.971 nan 8.230 nan 0.000 0.585 248 T N -0.561 113.875 114.554 -0.196 0.000 2.949 248 T HA 0.608 4.957 4.350 -0.002 0.000 0.287 248 T C 0.550 175.204 174.700 -0.078 0.000 1.034 248 T CA -0.266 61.804 62.100 -0.050 0.000 1.018 248 T CB 0.996 69.858 68.868 -0.011 0.000 1.135 248 T HN 0.277 nan 8.240 nan 0.000 0.532 249 L N 1.564 122.813 121.223 0.044 0.000 2.878 249 L HA 0.322 4.661 4.340 -0.002 0.000 0.253 249 L C 1.373 178.361 176.870 0.196 0.000 1.135 249 L CA -0.282 54.574 54.840 0.027 0.000 0.943 249 L CB 0.128 42.210 42.059 0.039 0.000 1.307 249 L HN 0.674 nan 8.230 nan 0.000 0.545 250 N N -0.204 118.595 118.700 0.165 0.000 2.317 250 N HA -0.031 4.708 4.740 -0.002 0.000 0.245 250 N C 0.160 175.709 175.510 0.065 0.000 1.294 250 N CA -0.250 52.886 53.050 0.144 0.000 0.924 250 N CB 0.855 39.457 38.487 0.191 0.000 1.186 250 N HN 0.140 nan 8.380 nan 0.000 0.495 251 Q N -0.242 119.576 119.800 0.030 0.000 2.250 251 Q HA -0.058 4.281 4.340 -0.002 0.000 0.200 251 Q C 1.232 177.194 176.000 -0.064 0.000 0.941 251 Q CA 0.875 56.660 55.803 -0.029 0.000 0.872 251 Q CB 0.073 28.802 28.738 -0.016 0.000 0.965 251 Q HN 0.645 nan 8.270 nan 0.000 0.480 252 E N 1.387 121.567 120.200 -0.034 0.000 2.130 252 E HA -0.198 4.151 4.350 -0.002 0.000 0.196 252 E C 1.234 177.783 176.600 -0.085 0.000 0.998 252 E CA 1.229 57.597 56.400 -0.054 0.000 0.806 252 E CB 0.004 29.675 29.700 -0.049 0.000 0.738 252 E HN 0.342 nan 8.360 nan 0.000 0.459 253 E N -0.682 119.470 120.200 -0.080 0.000 2.447 253 E HA 0.097 4.446 4.350 -0.002 0.000 0.195 253 E C 0.832 177.384 176.600 -0.080 0.000 1.028 253 E CA 0.101 56.460 56.400 -0.069 0.000 0.876 253 E CB 0.210 29.885 29.700 -0.041 0.000 0.885 253 E HN 0.271 nan 8.360 nan 0.000 0.500 254 N N -0.110 118.438 118.700 -0.254 0.000 3.048 254 N HA -0.011 4.728 4.740 -0.002 0.000 0.225 254 N C 1.230 176.408 175.510 -0.553 0.000 1.103 254 N CA -0.179 52.520 53.050 -0.586 0.000 1.182 254 N CB 0.206 37.827 38.487 -1.443 0.000 1.553 254 N HN -0.172 nan 8.380 nan 0.000 0.584 255 E N 1.309 121.205 120.200 -0.505 0.000 2.058 255 E HA -0.102 4.247 4.350 -0.002 0.000 0.194 255 E C 1.755 178.349 176.600 -0.010 0.000 0.997 255 E CA 1.404 57.760 56.400 -0.075 0.000 0.801 255 E CB -0.228 29.522 29.700 0.084 0.000 0.746 255 E HN 0.413 nan 8.360 nan 0.000 0.450 256 A N 0.134 122.923 122.820 -0.051 0.000 2.019 256 A HA -0.138 4.181 4.320 -0.002 0.000 0.219 256 A C 2.368 179.955 177.584 0.004 0.000 1.164 256 A CA 1.247 53.282 52.037 -0.003 0.000 0.644 256 A CB -0.371 18.609 19.000 -0.034 0.000 0.805 256 A HN 0.161 nan 8.150 nan 0.000 0.449 257 V N -1.452 118.399 119.914 -0.105 0.000 2.379 257 V HA -0.214 3.905 4.120 -0.002 0.000 0.243 257 V C 2.586 178.642 176.094 -0.063 0.000 1.035 257 V CA 1.767 63.976 62.300 -0.152 0.000 1.035 257 V CB -0.761 30.861 31.823 -0.335 0.000 0.673 257 V HN 0.695 nan 8.190 nan 0.000 0.457 258 C N -0.048 119.137 119.300 -0.193 0.000 2.432 258 C HA -0.125 4.334 4.460 -0.002 0.000 0.277 258 C C 2.655 177.806 174.990 0.269 0.000 1.249 258 C CA 0.829 59.815 59.018 -0.053 0.000 1.725 258 C CB -1.107 26.419 27.740 -0.357 0.000 2.028 258 C HN 0.504 nan 8.230 nan 0.000 0.477 259 L N -0.714 120.660 121.223 0.251 0.000 2.043 259 L HA -0.229 4.111 4.340 -0.002 0.000 0.212 259 L C 2.501 179.532 176.870 0.268 0.000 1.075 259 L CA 2.050 57.078 54.840 0.314 0.000 0.752 259 L CB -0.668 41.524 42.059 0.220 0.000 0.891 259 L HN 0.592 nan 8.230 nan 0.000 0.432 260 W N 0.818 122.144 121.300 0.043 0.000 2.333 260 W HA -0.294 4.365 4.660 -0.002 0.000 0.316 260 W C 2.377 178.900 176.519 0.006 0.000 1.215 260 W CA 1.698 59.045 57.345 0.004 0.000 1.278 260 W CB -0.444 28.998 29.460 -0.031 0.000 1.154 260 W HN 0.009 nan 8.180 nan 0.000 0.486 261 L N 1.863 123.168 121.223 0.136 0.000 2.013 261 L HA -0.257 4.082 4.340 -0.002 0.000 0.212 261 L C 2.675 179.431 176.870 -0.190 0.000 1.073 261 L CA 2.800 57.567 54.840 -0.122 0.000 0.753 261 L CB -1.215 40.846 42.059 0.003 0.000 0.890 261 L HN 0.127 nan 8.230 nan 0.000 0.432 262 K N -1.102 119.271 120.400 -0.045 0.000 2.103 262 K HA -0.207 4.112 4.320 -0.002 0.000 0.207 262 K C 1.924 178.441 176.600 -0.139 0.000 1.048 262 K CA 1.362 57.587 56.287 -0.102 0.000 0.930 262 K CB -0.029 32.432 32.500 -0.065 0.000 0.716 262 K HN 0.289 nan 8.250 nan 0.000 0.444 263 E N 0.086 120.188 120.200 -0.163 0.000 2.118 263 E HA -0.145 4.204 4.350 -0.002 0.000 0.195 263 E C 1.960 178.342 176.600 -0.364 0.000 0.992 263 E CA 1.895 58.164 56.400 -0.218 0.000 0.804 263 E CB -0.392 29.188 29.700 -0.201 0.000 0.741 263 E HN 0.593 nan 8.360 nan 0.000 0.458 264 T N -2.859 111.334 114.554 -0.601 0.000 3.067 264 T HA -0.016 4.333 4.350 -0.002 0.000 0.257 264 T C 0.695 174.814 174.700 -0.967 0.000 1.105 264 T CA 0.341 61.922 62.100 -0.865 0.000 1.104 264 T CB -0.162 67.946 68.868 -1.267 0.000 0.925 264 T HN 0.088 nan 8.240 nan 0.000 0.498 265 Y N 0.581 120.747 120.300 -0.222 0.000 2.512 265 Y HA 0.362 4.911 4.550 -0.001 0.000 0.326 265 Y C -2.248 173.582 175.900 -0.116 0.000 1.008 265 Y CA -2.302 55.728 58.100 -0.116 0.000 1.139 265 Y CB 1.291 39.714 38.460 -0.063 0.000 1.137 265 Y HN 0.065 nan 8.280 nan 0.000 0.630 266 P HA -0.147 nan 4.420 nan 0.000 0.215 266 P C 0.766 178.048 177.300 -0.031 0.000 1.153 266 P CA 1.700 64.767 63.100 -0.054 0.000 0.853 266 P CB 0.397 32.060 31.700 -0.061 0.000 0.788 267 D N -1.829 118.574 120.400 0.006 0.000 2.340 267 D HA 0.128 4.767 4.640 -0.002 0.000 0.220 267 D C 1.470 177.786 176.300 0.028 0.000 1.039 267 D CA 0.413 54.417 54.000 0.007 0.000 0.866 267 D CB -0.072 40.734 40.800 0.011 0.000 0.913 267 D HN 0.140 nan 8.370 nan 0.000 0.523 268 A N -0.209 122.653 122.820 0.071 0.000 2.229 268 A HA 0.234 4.553 4.320 -0.002 0.000 0.211 268 A C 0.695 178.369 177.584 0.149 0.000 1.193 268 A CA 0.061 52.176 52.037 0.130 0.000 0.879 268 A CB 0.862 20.010 19.000 0.248 0.000 0.911 268 A HN 0.036 nan 8.150 nan 0.000 0.492 269 V N 1.034 120.953 119.914 0.008 0.000 2.409 269 V HA 0.406 4.525 4.120 -0.002 0.000 0.291 269 V C -0.611 175.326 176.094 -0.260 0.000 1.020 269 V CA -0.586 61.643 62.300 -0.117 0.000 0.848 269 V CB 1.440 33.078 31.823 -0.309 0.000 0.990 269 V HN 0.474 nan 8.190 nan 0.000 0.430 270 E N 4.388 124.476 120.200 -0.187 0.000 2.165 270 E HA 0.511 4.860 4.350 -0.002 0.000 0.266 270 E C -1.244 175.274 176.600 -0.137 0.000 0.889 270 E CA -0.624 55.653 56.400 -0.205 0.000 0.756 270 E CB 1.131 30.797 29.700 -0.058 0.000 1.131 270 E HN 0.551 nan 8.360 nan 0.000 0.411 271 F N 3.912 123.914 119.950 0.086 0.000 2.443 271 F HA 0.232 4.758 4.527 -0.002 0.000 0.353 271 F C 0.370 176.219 175.800 0.081 0.000 1.101 271 F CA -0.689 57.385 58.000 0.124 0.000 1.226 271 F CB 0.672 39.753 39.000 0.136 0.000 1.140 271 F HN 0.317 nan 8.300 nan 0.000 0.557 272 L N 5.505 126.906 121.223 0.296 0.000 2.371 272 L HA 0.355 4.695 4.340 -0.002 0.000 0.262 272 L C -2.277 174.679 176.870 0.143 0.000 1.054 272 L CA -1.976 52.965 54.840 0.167 0.000 0.924 272 L CB 0.596 42.733 42.059 0.130 0.000 1.295 272 L HN 0.330 nan 8.230 nan 0.000 0.441 273 P HA -0.147 nan 4.420 nan 0.000 0.263 273 P C 0.533 177.869 177.300 0.060 0.000 1.145 273 P CA 0.769 63.910 63.100 0.069 0.000 0.755 273 P CB 0.578 32.302 31.700 0.040 0.000 0.746 274 L N 2.315 123.568 121.223 0.050 0.000 2.640 274 L HA 0.132 4.471 4.340 -0.002 0.000 0.230 274 L C 2.274 179.140 176.870 -0.007 0.000 1.123 274 L CA 0.563 55.426 54.840 0.038 0.000 0.900 274 L CB -0.300 41.785 42.059 0.044 0.000 1.146 274 L HN 0.535 nan 8.230 nan 0.000 0.484 275 G N -0.284 108.503 108.800 -0.023 0.000 2.479 275 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.220 275 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.220 275 G C 0.885 175.721 174.900 -0.107 0.000 1.115 275 G CA 0.694 45.752 45.100 -0.070 0.000 0.757 275 G HN 0.345 nan 8.290 nan 0.000 0.560 276 D N -0.184 120.182 120.400 -0.057 0.000 2.349 276 D HA 0.056 4.695 4.640 -0.002 0.000 0.214 276 D C 2.114 178.400 176.300 -0.022 0.000 1.063 276 D CA -0.369 53.604 54.000 -0.046 0.000 0.847 276 D CB 0.480 41.279 40.800 -0.000 0.000 0.933 276 D HN 0.226 nan 8.370 nan 0.000 0.513 277 L N 0.888 122.101 121.223 -0.017 0.000 2.081 277 L HA -0.064 4.275 4.340 -0.002 0.000 0.212 277 L C 0.171 177.210 176.870 0.281 0.000 1.080 277 L CA 1.564 56.486 54.840 0.137 0.000 0.754 277 L CB -0.289 41.900 42.059 0.216 0.000 0.893 277 L HN 0.015 nan 8.230 nan 0.000 0.433 278 F N -4.584 115.400 119.950 0.057 0.000 2.713 278 F HA 0.669 5.195 4.527 -0.001 0.000 0.311 278 F C -2.873 172.961 175.800 0.056 0.000 1.141 278 F CA -2.734 55.301 58.000 0.058 0.000 0.939 278 F CB -0.426 38.629 39.000 0.091 0.000 1.325 278 F HN -0.386 nan 8.300 nan 0.000 0.453 279 P HA 0.385 nan 4.420 nan 0.000 0.270 279 P C 0.598 177.969 177.300 0.119 0.000 1.242 279 P CA 1.038 64.183 63.100 0.075 0.000 0.768 279 P CB 0.827 32.594 31.700 0.112 0.000 0.820 280 G N 3.099 111.888 108.800 -0.018 0.000 2.253 280 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.209 280 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.209 280 G C 1.201 176.083 174.900 -0.028 0.000 0.997 280 G CA 0.372 45.548 45.100 0.127 0.000 0.640 280 G HN 0.599 nan 8.290 nan 0.000 0.496 281 A N 0.988 123.318 122.820 -0.818 0.000 1.927 281 A HA -0.185 4.134 4.320 -0.002 0.000 0.220 281 A C 2.028 179.494 177.584 -0.197 0.000 1.185 281 A CA 2.658 54.106 52.037 -0.981 0.000 0.639 281 A CB -0.756 17.517 19.000 -1.211 0.000 0.820 281 A HN 0.633 nan 8.150 nan 0.000 0.451 282 N N -0.138 118.487 118.700 -0.126 0.000 2.089 282 N HA -0.216 4.523 4.740 -0.002 0.000 0.198 282 N C 1.550 177.095 175.510 0.058 0.000 1.017 282 N CA 2.000 55.041 53.050 -0.015 0.000 0.880 282 N CB -0.317 38.167 38.487 -0.004 0.000 1.042 282 N HN 0.625 nan 8.380 nan 0.000 0.446 283 K N -0.681 119.791 120.400 0.120 0.000 2.218 283 K HA -0.065 4.254 4.320 -0.002 0.000 0.205 283 K C 1.171 177.837 176.600 0.110 0.000 1.046 283 K CA 1.333 57.688 56.287 0.114 0.000 0.933 283 K CB -0.041 32.538 32.500 0.131 0.000 0.728 283 K HN 0.239 nan 8.250 nan 0.000 0.454 284 A N 0.408 123.336 122.820 0.180 0.000 2.470 284 A HA 0.133 4.452 4.320 -0.002 0.000 0.251 284 A C 0.104 177.805 177.584 0.196 0.000 1.245 284 A CA -0.434 51.731 52.037 0.213 0.000 0.932 284 A CB 0.284 19.457 19.000 0.287 0.000 1.037 284 A HN 0.081 nan 8.150 nan 0.000 0.522 285 L N 2.478 123.777 121.223 0.127 0.000 2.462 285 L HA 0.287 4.626 4.340 -0.002 0.000 0.272 285 L C 0.915 177.847 176.870 0.103 0.000 1.166 285 L CA 0.865 55.760 54.840 0.091 0.000 0.880 285 L CB 0.414 42.495 42.059 0.037 0.000 1.142 285 L HN 0.418 nan 8.230 nan 0.000 0.473 286 T N 0.589 115.211 114.554 0.115 0.000 2.927 286 T HA 0.330 4.679 4.350 -0.002 0.000 0.281 286 T C 0.747 175.423 174.700 -0.040 0.000 0.998 286 T CA -0.711 61.438 62.100 0.082 0.000 1.019 286 T CB 0.852 69.839 68.868 0.197 0.000 1.061 286 T HN 0.647 nan 8.240 nan 0.000 0.518 287 E N 0.302 120.464 120.200 -0.062 0.000 2.515 287 E HA -0.087 4.262 4.350 -0.002 0.000 0.201 287 E C 1.097 177.595 176.600 -0.170 0.000 1.071 287 E CA 0.696 57.044 56.400 -0.086 0.000 0.880 287 E CB 0.091 29.760 29.700 -0.051 0.000 0.828 287 E HN 0.724 nan 8.360 nan 0.000 0.540 288 E N -0.497 119.481 120.200 -0.370 0.000 2.340 288 E HA 0.068 4.417 4.350 -0.002 0.000 0.194 288 E C 1.223 177.534 176.600 -0.482 0.000 0.996 288 E CA 0.615 56.645 56.400 -0.618 0.000 0.869 288 E CB 0.652 29.420 29.700 -1.554 0.000 0.835 288 E HN 0.293 nan 8.360 nan 0.000 0.493 289 G N -0.041 108.567 108.800 -0.320 0.000 2.168 289 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.197 289 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.197 289 G C -0.224 174.717 174.900 0.069 0.000 0.997 289 G CA -0.550 44.502 45.100 -0.080 0.000 0.658 289 G HN 0.060 nan 8.290 nan 0.000 0.513 290 F N 0.505 120.420 119.950 -0.057 0.000 2.382 290 F HA 0.673 5.199 4.527 -0.001 0.000 0.331 290 F C 1.053 176.785 175.800 -0.113 0.000 1.121 290 F CA -1.458 56.440 58.000 -0.170 0.000 1.183 290 F CB 0.764 39.722 39.000 -0.070 0.000 1.207 290 F HN -0.081 nan 8.300 nan 0.000 0.555 291 L N 2.432 123.626 121.223 -0.049 0.000 2.280 291 L HA 0.282 4.621 4.340 -0.002 0.000 0.287 291 L C -0.674 176.215 176.870 0.033 0.000 1.023 291 L CA -0.416 54.440 54.840 0.027 0.000 0.819 291 L CB 0.828 42.889 42.059 0.004 0.000 1.212 291 L HN 0.587 nan 8.230 nan 0.000 0.420 292 H N 2.956 122.143 119.070 0.195 0.000 2.680 292 H HA 0.340 4.895 4.556 -0.001 0.000 0.260 292 H C -0.806 174.573 175.328 0.084 0.000 1.328 292 H CA -0.551 55.662 56.048 0.275 0.000 1.269 292 H CB 0.627 30.605 29.762 0.361 0.000 1.446 292 H HN 0.284 nan 8.280 nan 0.000 0.527 293 V N 6.197 126.164 119.914 0.089 0.000 2.387 293 V HA 0.062 4.181 4.120 -0.002 0.000 0.260 293 V C 0.107 176.214 176.094 0.021 0.000 1.054 293 V CA -0.223 62.154 62.300 0.128 0.000 0.967 293 V CB -0.866 31.058 31.823 0.168 0.000 1.036 293 V HN 0.544 nan 8.190 nan 0.000 0.481 294 F N 6.675 126.736 119.950 0.184 0.000 2.429 294 F HA 0.276 4.802 4.527 -0.001 0.000 0.348 294 F C -0.876 175.047 175.800 0.205 0.000 1.109 294 F CA -1.702 56.407 58.000 0.182 0.000 1.232 294 F CB 0.547 39.576 39.000 0.049 0.000 1.157 294 F HN 0.347 nan 8.300 nan 0.000 0.564 295 P HA -0.225 nan 4.420 nan 0.000 0.216 295 P C 0.788 178.228 177.300 0.235 0.000 1.153 295 P CA 1.654 64.939 63.100 0.309 0.000 0.858 295 P CB 0.064 31.921 31.700 0.261 0.000 0.789 296 Q N -1.381 118.560 119.800 0.234 0.000 2.451 296 Q HA 0.067 4.406 4.340 -0.002 0.000 0.206 296 Q C 1.834 177.878 176.000 0.074 0.000 0.947 296 Q CA 0.634 56.513 55.803 0.127 0.000 0.937 296 Q CB -1.209 27.589 28.738 0.099 0.000 1.025 296 Q HN 0.259 nan 8.270 nan 0.000 0.511 297 I N -0.448 120.148 120.570 0.043 0.000 2.099 297 I HA -0.264 3.905 4.170 -0.002 0.000 0.239 297 I C 1.015 177.021 176.117 -0.185 0.000 1.066 297 I CA 1.613 62.799 61.300 -0.191 0.000 1.324 297 I CB -0.146 37.581 38.000 -0.455 0.000 1.037 297 I HN 0.228 nan 8.210 nan 0.000 0.401 298 Y N -0.416 120.045 120.300 0.268 0.000 2.660 298 Y HA 0.222 4.771 4.550 -0.001 0.000 0.254 298 Y C -0.206 175.775 175.900 0.135 0.000 1.176 298 Y CA -0.735 57.534 58.100 0.282 0.000 1.195 298 Y CB 0.297 39.076 38.460 0.532 0.000 1.190 298 Y HN 0.083 nan 8.280 nan 0.000 0.535 299 D N 1.334 121.830 120.400 0.161 0.000 3.437 299 D HA -0.169 4.470 4.640 -0.002 0.000 0.243 299 D C -0.505 175.833 176.300 0.062 0.000 1.104 299 D CA 0.849 54.853 54.000 0.007 0.000 1.009 299 D CB -0.967 39.718 40.800 -0.192 0.000 0.937 299 D HN 0.517 nan 8.370 nan 0.000 0.417 300 C N -0.094 119.338 119.300 0.220 0.000 3.230 300 C HA 0.640 5.099 4.460 -0.002 0.000 0.359 300 C C 0.162 175.317 174.990 0.275 0.000 2.377 300 C CA -0.982 58.226 59.018 0.317 0.000 1.124 300 C CB 0.059 28.147 27.740 0.580 0.000 2.697 300 C HN 0.343 nan 8.230 nan 0.000 0.403 301 E N 1.007 121.389 120.200 0.303 0.000 2.397 301 E HA 0.471 4.820 4.350 -0.002 0.000 0.254 301 E C 0.385 177.161 176.600 0.294 0.000 1.231 301 E CA 0.620 57.186 56.400 0.276 0.000 0.954 301 E CB 0.141 30.028 29.700 0.311 0.000 1.024 301 E HN 0.981 nan 8.360 nan 0.000 0.481 302 G N 0.231 109.188 108.800 0.262 0.000 2.332 302 G HA2 0.539 4.498 3.960 -0.002 0.000 0.310 302 G HA3 0.539 4.498 3.960 -0.002 0.000 0.310 302 G C -1.338 173.679 174.900 0.195 0.000 1.123 302 G CA -0.213 45.016 45.100 0.214 0.000 0.873 302 G HN 0.247 nan 8.290 nan 0.000 0.460 303 F N 1.088 120.999 119.950 -0.065 0.000 2.665 303 F HA 0.580 5.106 4.527 -0.002 0.000 0.308 303 F C -1.608 174.113 175.800 -0.132 0.000 1.112 303 F CA -1.008 56.943 58.000 -0.082 0.000 0.972 303 F CB 2.359 41.318 39.000 -0.068 0.000 1.295 303 F HN 0.477 nan 8.300 nan 0.000 0.440 304 F N 4.828 124.647 119.950 -0.218 0.000 2.529 304 F HA 0.819 5.345 4.527 -0.002 0.000 0.320 304 F C -1.731 174.052 175.800 -0.028 0.000 1.118 304 F CA -0.868 56.995 58.000 -0.227 0.000 0.915 304 F CB 1.541 40.289 39.000 -0.420 0.000 1.161 304 F HN 0.164 nan 8.300 nan 0.000 0.445 305 V N 4.798 124.325 119.914 -0.645 0.000 2.638 305 V HA 0.862 4.981 4.120 -0.002 0.000 0.306 305 V C -0.702 174.959 176.094 -0.723 0.000 1.052 305 V CA -0.738 61.277 62.300 -0.475 0.000 0.885 305 V CB 1.340 33.053 31.823 -0.183 0.000 0.999 305 V HN 1.012 nan 8.190 nan 0.000 0.424 306 A N 4.604 127.146 122.820 -0.463 0.000 2.371 306 A HA 0.890 5.209 4.320 -0.002 0.000 0.311 306 A C -0.552 177.020 177.584 -0.020 0.000 1.068 306 A CA -0.787 51.047 52.037 -0.339 0.000 0.744 306 A CB 1.535 20.130 19.000 -0.676 0.000 1.239 306 A HN 0.827 nan 8.150 nan 0.000 0.435 307 R N 2.458 123.022 120.500 0.107 0.000 2.437 307 R HA 0.652 4.991 4.340 -0.002 0.000 0.310 307 R C -1.822 174.638 176.300 0.267 0.000 0.955 307 R CA -0.517 55.673 56.100 0.149 0.000 0.851 307 R CB 0.704 31.068 30.300 0.107 0.000 1.161 307 R HN 0.552 nan 8.270 nan 0.000 0.446 308 L N 2.884 124.258 121.223 0.253 0.000 2.323 308 L HA 0.605 4.944 4.340 -0.002 0.000 0.265 308 L C -0.209 176.773 176.870 0.187 0.000 1.012 308 L CA -0.752 54.256 54.840 0.281 0.000 0.820 308 L CB 1.650 43.883 42.059 0.289 0.000 1.334 308 L HN 0.568 nan 8.230 nan 0.000 0.427 309 R N 0.884 121.472 120.500 0.147 0.000 2.494 309 R HA 0.398 4.737 4.340 -0.002 0.000 0.305 309 R C -0.649 175.744 176.300 0.155 0.000 0.959 309 R CA -0.776 55.396 56.100 0.120 0.000 0.864 309 R CB 1.344 31.686 30.300 0.071 0.000 1.159 309 R HN 0.571 nan 8.270 nan 0.000 0.446 310 K N 2.454 122.947 120.400 0.156 0.000 2.316 310 K HA 0.047 4.366 4.320 -0.002 0.000 0.289 310 K C 0.447 177.056 176.600 0.015 0.000 1.070 310 K CA 0.143 56.497 56.287 0.110 0.000 0.928 310 K CB 0.930 33.306 32.500 -0.207 0.000 1.039 310 K HN 0.765 nan 8.250 nan 0.000 0.480 311 T N 0.623 115.197 114.554 0.033 0.000 3.065 311 T HA -0.026 4.323 4.350 -0.002 0.000 0.252 311 T C 0.419 175.108 174.700 -0.018 0.000 1.099 311 T CA 0.078 62.180 62.100 0.003 0.000 1.063 311 T CB 0.018 68.890 68.868 0.007 0.000 0.948 311 T HN 0.725 nan 8.240 nan 0.000 0.506 312 Q N -0.145 119.635 119.800 -0.033 0.000 2.534 312 Q HA 0.715 5.054 4.340 -0.002 0.000 0.290 312 Q C -1.474 174.466 176.000 -0.100 0.000 0.991 312 Q CA -1.440 54.332 55.803 -0.051 0.000 0.783 312 Q CB 1.395 30.119 28.738 -0.024 0.000 1.470 312 Q HN 0.107 nan 8.270 nan 0.000 0.406 313 A N 1.525 124.286 122.820 -0.099 0.000 2.462 313 A HA 0.510 4.829 4.320 -0.002 0.000 0.243 313 A C 0.126 177.638 177.584 -0.120 0.000 1.076 313 A CA -0.313 51.643 52.037 -0.134 0.000 0.773 313 A CB -0.331 18.610 19.000 -0.098 0.000 1.010 313 A HN 0.653 nan 8.150 nan 0.000 0.493 314 I N -0.235 120.222 120.570 -0.189 0.000 2.910 314 I HA 0.753 4.922 4.170 -0.002 0.000 0.310 314 I C -2.543 173.516 176.117 -0.097 0.000 1.043 314 I CA -2.692 58.531 61.300 -0.128 0.000 1.053 314 I CB 1.038 38.887 38.000 -0.250 0.000 1.242 314 I HN 0.350 nan 8.210 nan 0.000 0.452 315 P HA 0.292 nan 4.420 nan 0.000 0.271 315 P C -0.769 176.561 177.300 0.051 0.000 1.233 315 P CA -0.341 62.785 63.100 0.043 0.000 0.789 315 P CB 0.413 32.170 31.700 0.096 0.000 0.951 316 A N 1.374 124.229 122.820 0.058 0.000 2.286 316 A HA 0.530 4.849 4.320 -0.002 0.000 0.286 316 A C -0.128 177.538 177.584 0.137 0.000 1.097 316 A CA -0.527 51.556 52.037 0.076 0.000 0.821 316 A CB -0.052 18.973 19.000 0.040 0.000 1.076 316 A HN 0.487 nan 8.150 nan 0.000 0.490 317 L N 1.135 122.453 121.223 0.159 0.000 2.400 317 L HA 0.403 4.742 4.340 -0.002 0.000 0.264 317 L C -0.979 175.933 176.870 0.069 0.000 1.061 317 L CA -1.695 53.215 54.840 0.117 0.000 0.799 317 L CB 0.775 42.893 42.059 0.098 0.000 1.240 317 L HN 0.637 nan 8.230 nan 0.000 0.461 318 P HA -0.008 nan 4.420 nan 0.000 0.221 318 P C 0.325 177.640 177.300 0.025 0.000 1.155 318 P CA 0.459 63.577 63.100 0.030 0.000 0.812 318 P CB 0.238 31.951 31.700 0.022 0.000 0.801 319 A N 1.926 124.759 122.820 0.021 0.000 3.063 319 A HA 0.331 4.651 4.320 -0.002 0.000 0.263 319 A C -1.935 175.651 177.584 0.003 0.000 1.736 319 A CA -0.810 51.231 52.037 0.006 0.000 1.408 319 A CB -1.016 17.979 19.000 -0.009 0.000 1.108 319 A HN 0.172 nan 8.150 nan 0.000 0.621 320 P HA 0.287 nan 4.420 nan 0.000 0.213 320 P C 0.271 177.583 177.300 0.020 0.000 1.861 320 P CA -0.223 62.884 63.100 0.012 0.000 1.076 320 P CB 0.786 32.493 31.700 0.010 0.000 1.867 321 K N 0.529 120.948 120.400 0.031 0.000 2.211 321 K HA -0.022 4.297 4.320 -0.002 0.000 0.201 321 K C 0.362 177.029 176.600 0.111 0.000 1.052 321 K CA 0.476 56.793 56.287 0.051 0.000 0.973 321 K CB 0.112 32.630 32.500 0.030 0.000 0.766 321 K HN 0.099 nan 8.250 nan 0.000 0.466 322 Y N 2.821 123.086 120.300 -0.059 0.000 2.676 322 Y HA 0.154 4.703 4.550 -0.001 0.000 0.331 322 Y C -0.519 175.360 175.900 -0.035 0.000 1.128 322 Y CA -0.905 57.160 58.100 -0.058 0.000 1.360 322 Y CB -0.512 37.884 38.460 -0.107 0.000 1.176 322 Y HN -0.207 nan 8.280 nan 0.000 0.518 323 K N 1.370 121.724 120.400 -0.077 0.000 2.345 323 K HA -0.104 4.215 4.320 -0.002 0.000 0.243 323 K C 0.731 177.185 176.600 -0.243 0.000 1.157 323 K CA 0.918 57.131 56.287 -0.124 0.000 1.198 323 K CB -0.061 32.399 32.500 -0.067 0.000 0.724 323 K HN 0.342 nan 8.250 nan 0.000 0.514 324 V N 1.606 121.402 119.914 -0.197 0.000 3.577 324 V HA 0.120 4.239 4.120 -0.002 0.000 0.294 324 V C 1.250 177.282 176.094 -0.104 0.000 1.317 324 V CA 0.101 62.267 62.300 -0.224 0.000 1.169 324 V CB -0.894 30.852 31.823 -0.127 0.000 1.011 324 V HN 0.943 nan 8.190 nan 0.000 0.426 325 G N 1.506 110.261 108.800 -0.074 0.000 2.791 325 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.256 325 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.256 325 G C -0.167 174.756 174.900 0.039 0.000 1.380 325 G CA 0.044 45.130 45.100 -0.023 0.000 0.904 325 G HN 0.545 nan 8.290 nan 0.000 0.563 326 N N -0.416 118.313 118.700 0.048 0.000 2.357 326 N HA 0.178 4.917 4.740 -0.002 0.000 0.257 326 N C 0.090 175.697 175.510 0.163 0.000 1.250 326 N CA 0.259 53.365 53.050 0.093 0.000 0.862 326 N CB 0.036 38.551 38.487 0.047 0.000 1.066 326 N HN 0.485 nan 8.380 nan 0.000 0.468 327 F N 4.862 124.836 119.950 0.040 0.000 2.445 327 F HA 0.277 4.803 4.527 -0.001 0.000 0.359 327 F C -1.143 174.674 175.800 0.027 0.000 1.101 327 F CA -1.815 56.225 58.000 0.066 0.000 1.177 327 F CB 1.163 40.242 39.000 0.132 0.000 1.110 327 F HN 0.509 nan 8.300 nan 0.000 0.522 328 P HA 0.080 nan 4.420 nan 0.000 0.249 328 P C -1.044 175.721 177.300 -0.891 0.000 1.241 328 P CA 0.665 63.384 63.100 -0.635 0.000 0.781 328 P CB -0.209 31.069 31.700 -0.704 0.000 1.088 329 F N -1.261 118.259 119.950 -0.717 0.000 2.561 329 F HA 0.537 5.063 4.527 -0.002 0.000 0.321 329 F C 0.711 176.546 175.800 0.059 0.000 1.065 329 F CA -0.859 56.953 58.000 -0.314 0.000 0.934 329 F CB 1.656 40.515 39.000 -0.234 0.000 1.215 329 F HN -0.445 nan 8.300 nan 0.000 0.471 330 S N 2.042 117.981 115.700 0.398 0.000 2.536 330 S HA 0.569 5.038 4.470 -0.002 0.000 0.298 330 S C -2.806 171.823 174.600 0.049 0.000 1.083 330 S CA -1.450 56.898 58.200 0.248 0.000 0.995 330 S CB 2.223 65.476 63.200 0.089 0.000 1.058 330 S HN 0.242 nan 8.310 nan 0.000 0.488 331 P HA 0.187 nan 4.420 nan 0.000 0.275 331 P C -0.734 176.338 177.300 -0.379 0.000 1.227 331 P CA -0.304 62.254 63.100 -0.904 0.000 0.781 331 P CB 0.460 31.505 31.700 -1.092 0.000 0.906 332 V N 4.398 124.137 119.914 -0.291 0.000 2.572 332 V HA 0.043 4.162 4.120 -0.002 0.000 0.291 332 V C 1.326 177.344 176.094 -0.126 0.000 1.039 332 V CA 0.038 62.261 62.300 -0.129 0.000 1.055 332 V CB -0.257 31.528 31.823 -0.064 0.000 0.969 332 V HN 0.513 nan 8.190 nan 0.000 0.482 333 K N 2.663 123.019 120.400 -0.073 0.000 2.230 333 K HA 0.044 4.363 4.320 -0.002 0.000 0.253 333 K C 1.061 177.644 176.600 -0.030 0.000 1.008 333 K CA -0.385 55.868 56.287 -0.056 0.000 0.910 333 K CB 0.350 32.829 32.500 -0.035 0.000 0.994 333 K HN 0.688 nan 8.250 nan 0.000 0.495 334 D N 1.418 121.805 120.400 -0.021 0.000 2.117 334 D HA -0.128 4.511 4.640 -0.002 0.000 0.198 334 D C 1.856 178.170 176.300 0.024 0.000 0.982 334 D CA 1.263 55.264 54.000 0.002 0.000 0.828 334 D CB 0.260 41.063 40.800 0.004 0.000 0.967 334 D HN 0.425 nan 8.370 nan 0.000 0.464 335 R N 0.877 121.389 120.500 0.020 0.000 2.143 335 R HA -0.195 4.144 4.340 -0.002 0.000 0.239 335 R C 2.301 178.629 176.300 0.046 0.000 1.126 335 R CA 2.117 58.236 56.100 0.031 0.000 0.927 335 R CB -0.267 30.048 30.300 0.024 0.000 0.860 335 R HN 0.175 nan 8.270 nan 0.000 0.433 336 E N -0.682 119.545 120.200 0.045 0.000 2.038 336 E HA -0.241 4.109 4.350 -0.002 0.000 0.195 336 E C 1.909 178.559 176.600 0.083 0.000 1.000 336 E CA 1.262 57.702 56.400 0.067 0.000 0.803 336 E CB -0.213 29.522 29.700 0.057 0.000 0.750 336 E HN 0.496 nan 8.360 nan 0.000 0.448 337 A N 0.932 123.789 122.820 0.062 0.000 1.915 337 A HA -0.258 4.061 4.320 -0.002 0.000 0.220 337 A C 2.395 180.060 177.584 0.136 0.000 1.198 337 A CA 2.460 54.545 52.037 0.080 0.000 0.647 337 A CB -1.516 17.506 19.000 0.038 0.000 0.825 337 A HN 0.483 nan 8.150 nan 0.000 0.456 338 G N -1.485 107.382 108.800 0.112 0.000 2.433 338 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.216 338 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.216 338 G C 1.562 176.524 174.900 0.104 0.000 1.186 338 G CA 1.061 46.229 45.100 0.113 0.000 0.779 338 G HN 0.625 nan 8.290 nan 0.000 0.543 339 Q N -0.261 119.598 119.800 0.098 0.000 2.197 339 Q HA -0.063 4.276 4.340 -0.002 0.000 0.207 339 Q C 2.511 178.584 176.000 0.123 0.000 0.984 339 Q CA 1.148 57.016 55.803 0.109 0.000 0.869 339 Q CB -0.196 28.613 28.738 0.119 0.000 0.906 339 Q HN 0.608 nan 8.270 nan 0.000 0.426 340 I N -0.564 120.078 120.570 0.120 0.000 2.277 340 I HA -0.201 3.968 4.170 -0.002 0.000 0.243 340 I C 2.218 178.404 176.117 0.115 0.000 1.094 340 I CA 0.615 61.953 61.300 0.064 0.000 1.393 340 I CB -0.198 37.837 38.000 0.060 0.000 1.078 340 I HN 0.085 nan 8.210 nan 0.000 0.417 341 R N 1.096 121.706 120.500 0.182 0.000 2.136 341 R HA -0.313 4.026 4.340 -0.002 0.000 0.242 341 R C 2.389 178.678 176.300 -0.018 0.000 1.131 341 R CA 2.720 58.900 56.100 0.133 0.000 0.937 341 R CB -0.532 29.853 30.300 0.141 0.000 0.863 341 R HN 0.530 nan 8.270 nan 0.000 0.435 342 Q N -0.542 119.264 119.800 0.010 0.000 2.119 342 Q HA -0.007 4.332 4.340 -0.002 0.000 0.201 342 Q C 1.938 177.946 176.000 0.014 0.000 0.972 342 Q CA 1.545 57.341 55.803 -0.012 0.000 0.847 342 Q CB -0.277 28.463 28.738 0.004 0.000 0.903 342 Q HN 0.330 nan 8.270 nan 0.000 0.433 343 A N 1.239 124.103 122.820 0.074 0.000 1.933 343 A HA 0.041 4.361 4.320 -0.002 0.000 0.218 343 A C 2.380 180.052 177.584 0.146 0.000 1.175 343 A CA 1.634 53.763 52.037 0.154 0.000 0.628 343 A CB -0.967 18.150 19.000 0.196 0.000 0.814 343 A HN 0.528 nan 8.150 nan 0.000 0.444 344 A N -1.338 121.493 122.820 0.017 0.000 1.897 344 A HA -0.001 4.318 4.320 -0.002 0.000 0.215 344 A C 2.279 179.638 177.584 -0.376 0.000 1.181 344 A CA 2.031 53.824 52.037 -0.407 0.000 0.620 344 A CB -1.125 17.703 19.000 -0.287 0.000 0.821 344 A HN 0.385 nan 8.150 nan 0.000 0.443 345 T N 0.051 114.466 114.554 -0.231 0.000 2.720 345 T HA -0.077 4.272 4.350 -0.002 0.000 0.268 345 T C 1.887 176.477 174.700 -0.184 0.000 1.037 345 T CA 1.462 63.428 62.100 -0.223 0.000 1.144 345 T CB -0.611 68.143 68.868 -0.189 0.000 0.864 345 T HN 0.587 nan 8.240 nan 0.000 0.444 346 G N 0.320 109.046 108.800 -0.124 0.000 2.527 346 G HA2 -0.088 3.871 3.960 -0.002 0.000 0.219 346 G HA3 -0.088 3.871 3.960 -0.002 0.000 0.219 346 G C 1.231 176.071 174.900 -0.099 0.000 1.117 346 G CA 0.688 45.744 45.100 -0.074 0.000 0.759 346 G HN 0.498 nan 8.290 nan 0.000 0.556 347 V N -0.842 118.947 119.914 -0.209 0.000 3.477 347 V HA 0.476 4.595 4.120 -0.002 0.000 0.297 347 V C 1.742 177.663 176.094 -0.288 0.000 1.433 347 V CA 0.659 62.803 62.300 -0.259 0.000 1.052 347 V CB 0.283 31.842 31.823 -0.441 0.000 0.895 347 V HN 0.647 nan 8.190 nan 0.000 0.438 348 G N 0.608 109.247 108.800 -0.268 0.000 2.184 348 G HA2 -0.158 3.801 3.960 -0.002 0.000 0.206 348 G HA3 -0.158 3.801 3.960 -0.002 0.000 0.206 348 G C -0.015 174.735 174.900 -0.250 0.000 0.995 348 G CA -0.265 44.702 45.100 -0.222 0.000 0.651 348 G HN 0.340 nan 8.290 nan 0.000 0.511 349 L N 1.340 122.356 121.223 -0.344 0.000 2.295 349 L HA 0.584 4.923 4.340 -0.002 0.000 0.285 349 L C -0.536 176.171 176.870 -0.272 0.000 1.035 349 L CA -0.774 53.878 54.840 -0.314 0.000 0.806 349 L CB 1.326 43.122 42.059 -0.439 0.000 1.214 349 L HN 0.148 nan 8.230 nan 0.000 0.426 350 N N 3.655 122.235 118.700 -0.199 0.000 2.308 350 N HA 0.446 5.185 4.740 -0.002 0.000 0.283 350 N C -1.568 173.875 175.510 -0.112 0.000 1.105 350 N CA -0.622 52.270 53.050 -0.263 0.000 0.840 350 N CB 2.704 41.055 38.487 -0.226 0.000 1.633 350 N HN 0.608 nan 8.380 nan 0.000 0.476 351 W N 0.284 121.559 121.300 -0.042 0.000 2.799 351 W HA 0.512 5.170 4.660 -0.002 0.000 0.349 351 W C -0.518 175.997 176.519 -0.007 0.000 1.100 351 W CA -0.566 56.769 57.345 -0.017 0.000 1.174 351 W CB 0.818 30.277 29.460 -0.002 0.000 1.427 351 W HN 0.280 nan 8.180 nan 0.000 0.547 352 D N 0.904 121.551 120.400 0.413 0.000 2.369 352 D HA -0.042 4.598 4.640 -0.002 0.000 0.241 352 D C 0.903 177.500 176.300 0.495 0.000 1.271 352 D CA 0.421 54.610 54.000 0.315 0.000 0.942 352 D CB 1.137 42.059 40.800 0.203 0.000 1.129 352 D HN 0.457 nan 8.370 nan 0.000 0.476 353 E N -0.087 120.295 120.200 0.303 0.000 2.478 353 E HA -0.122 4.227 4.350 -0.002 0.000 0.198 353 E C 1.195 177.877 176.600 0.136 0.000 1.046 353 E CA 0.246 56.792 56.400 0.244 0.000 0.870 353 E CB -0.110 29.689 29.700 0.164 0.000 0.818 353 E HN 0.341 nan 8.360 nan 0.000 0.527 354 N N 0.254 119.032 118.700 0.131 0.000 2.457 354 N HA -0.018 4.721 4.740 -0.002 0.000 0.180 354 N C -0.303 175.239 175.510 0.053 0.000 1.050 354 N CA 0.397 53.499 53.050 0.086 0.000 0.906 354 N CB 0.270 38.811 38.487 0.090 0.000 0.968 354 N HN 0.031 nan 8.380 nan 0.000 0.445 355 L N 0.329 121.557 121.223 0.009 0.000 2.342 355 L HA 0.566 4.905 4.340 -0.002 0.000 0.271 355 L C -0.185 176.486 176.870 -0.332 0.000 1.008 355 L CA -0.910 53.871 54.840 -0.099 0.000 0.818 355 L CB 2.161 44.168 42.059 -0.087 0.000 1.296 355 L HN -0.029 nan 8.230 nan 0.000 0.427 356 R N 1.728 122.107 120.500 -0.202 0.000 2.725 356 R HA 0.609 4.948 4.340 -0.002 0.000 0.277 356 R C -1.630 174.615 176.300 -0.092 0.000 0.987 356 R CA -1.043 54.914 56.100 -0.238 0.000 0.901 356 R CB 2.453 32.734 30.300 -0.031 0.000 1.207 356 R HN 0.330 nan 8.270 nan 0.000 0.463 357 L N 2.264 123.361 121.223 -0.210 0.000 2.290 357 L HA 0.387 4.726 4.340 -0.002 0.000 0.284 357 L C -0.690 176.149 176.870 -0.053 0.000 1.078 357 L CA 0.122 54.897 54.840 -0.108 0.000 0.815 357 L CB 0.236 42.222 42.059 -0.122 0.000 1.162 357 L HN 0.385 nan 8.230 nan 0.000 0.435 358 W N 1.644 122.736 121.300 -0.346 0.000 2.804 358 W HA 0.756 5.416 4.660 -0.001 0.000 0.352 358 W C -0.474 175.981 176.519 -0.106 0.000 1.153 358 W CA -0.711 56.480 57.345 -0.256 0.000 1.119 358 W CB 1.002 30.187 29.460 -0.458 0.000 1.448 358 W HN 0.492 nan 8.180 nan 0.000 0.600 359 Q N 0.277 120.255 119.800 0.297 0.000 2.416 359 Q HA 0.640 4.979 4.340 -0.002 0.000 0.281 359 Q C -0.267 175.938 176.000 0.341 0.000 1.067 359 Q CA -0.963 55.019 55.803 0.299 0.000 0.809 359 Q CB 3.317 32.160 28.738 0.175 0.000 1.418 359 Q HN 0.679 nan 8.270 nan 0.000 0.411 360 R N 0.649 121.305 120.500 0.260 0.000 2.502 360 R HA 0.176 4.515 4.340 -0.002 0.000 0.174 360 R C 0.043 176.354 176.300 0.019 0.000 1.201 360 R CA 0.462 56.569 56.100 0.011 0.000 1.151 360 R CB 0.582 30.701 30.300 -0.301 0.000 1.202 360 R HN 0.808 nan 8.270 nan 0.000 0.509 361 D N -0.218 120.223 120.400 0.068 0.000 3.305 361 D HA 0.135 4.774 4.640 -0.002 0.000 0.221 361 D C 0.678 177.020 176.300 0.071 0.000 1.187 361 D CA -0.108 53.920 54.000 0.046 0.000 1.276 361 D CB 0.554 41.370 40.800 0.026 0.000 0.924 361 D HN -0.089 nan 8.370 nan 0.000 0.189 362 K N 0.590 121.032 120.400 0.070 0.000 2.486 362 K HA 0.054 4.373 4.320 -0.002 0.000 0.194 362 K C 0.267 176.936 176.600 0.114 0.000 1.033 362 K CA 0.292 56.620 56.287 0.068 0.000 1.004 362 K CB 0.227 32.751 32.500 0.040 0.000 0.798 362 K HN 0.192 nan 8.250 nan 0.000 0.495 363 E N 0.660 120.964 120.200 0.175 0.000 2.383 363 E HA 0.140 4.489 4.350 -0.002 0.000 0.264 363 E C -0.698 176.095 176.600 0.322 0.000 1.050 363 E CA 0.103 56.672 56.400 0.281 0.000 0.896 363 E CB 0.747 30.725 29.700 0.462 0.000 0.982 363 E HN 0.068 nan 8.360 nan 0.000 0.424 364 L N 3.575 124.961 121.223 0.272 0.000 2.404 364 L HA 0.392 4.732 4.340 -0.002 0.000 0.272 364 L C -1.285 175.648 176.870 0.106 0.000 0.980 364 L CA -0.691 54.282 54.840 0.221 0.000 0.836 364 L CB 0.837 42.981 42.059 0.141 0.000 1.238 364 L HN 0.514 nan 8.230 nan 0.000 0.408 365 W N 3.856 125.090 121.300 -0.110 0.000 2.706 365 W HA 0.667 5.326 4.660 -0.002 0.000 0.346 365 W C -0.731 175.544 176.519 -0.408 0.000 1.071 365 W CA -0.381 56.787 57.345 -0.294 0.000 1.206 365 W CB 1.618 30.708 29.460 -0.618 0.000 1.413 365 W HN 0.161 nan 8.180 nan 0.000 0.542 366 L N 3.354 124.500 121.223 -0.129 0.000 2.313 366 L HA 0.499 4.838 4.340 -0.002 0.000 0.283 366 L C -0.933 175.921 176.870 -0.027 0.000 1.013 366 L CA -0.739 54.017 54.840 -0.140 0.000 0.816 366 L CB 0.511 42.528 42.059 -0.071 0.000 1.236 366 L HN 0.112 nan 8.230 nan 0.000 0.419 367 F N 3.549 123.474 119.950 -0.043 0.000 2.492 367 F HA 0.547 5.073 4.527 -0.001 0.000 0.327 367 F C -2.046 173.704 175.800 -0.083 0.000 1.079 367 F CA -3.376 54.518 58.000 -0.177 0.000 0.967 367 F CB 0.983 39.657 39.000 -0.543 0.000 1.169 367 F HN 0.236 nan 8.300 nan 0.000 0.472 368 P HA 0.113 nan 4.420 nan 0.000 0.281 368 P C 0.758 178.092 177.300 0.057 0.000 1.252 368 P CA -0.016 63.125 63.100 0.068 0.000 0.778 368 P CB 1.531 33.258 31.700 0.044 0.000 0.895 369 V N 4.265 124.224 119.914 0.075 0.000 2.324 369 V HA -0.255 3.864 4.120 -0.002 0.000 0.250 369 V C 2.823 178.939 176.094 0.037 0.000 1.060 369 V CA 2.761 65.109 62.300 0.080 0.000 1.042 369 V CB -1.891 29.974 31.823 0.070 0.000 0.650 369 V HN 0.790 nan 8.190 nan 0.000 0.450 370 G N -0.265 108.552 108.800 0.028 0.000 2.596 370 G HA2 -0.347 3.613 3.960 -0.002 0.000 0.223 370 G HA3 -0.347 3.613 3.960 -0.002 0.000 0.223 370 G C 1.480 176.367 174.900 -0.021 0.000 1.120 370 G CA 1.585 46.692 45.100 0.012 0.000 0.752 370 G HN 0.517 nan 8.290 nan 0.000 0.596 371 I N 0.414 120.948 120.570 -0.060 0.000 3.226 371 I HA 0.142 4.311 4.170 -0.002 0.000 0.277 371 I C 2.357 178.367 176.117 -0.179 0.000 1.243 371 I CA 0.210 61.430 61.300 -0.133 0.000 1.459 371 I CB -0.109 37.727 38.000 -0.273 0.000 1.093 371 I HN 0.255 nan 8.210 nan 0.000 0.453 372 E N 0.739 120.871 120.200 -0.114 0.000 2.130 372 E HA -0.272 4.077 4.350 -0.002 0.000 0.196 372 E C 2.152 178.702 176.600 -0.084 0.000 0.998 372 E CA 1.343 57.695 56.400 -0.080 0.000 0.806 372 E CB -0.333 29.424 29.700 0.095 0.000 0.738 372 E HN 0.571 nan 8.360 nan 0.000 0.459 373 A N 0.560 123.341 122.820 -0.065 0.000 2.178 373 A HA -0.113 4.206 4.320 -0.002 0.000 0.218 373 A C 2.019 179.562 177.584 -0.069 0.000 1.157 373 A CA 0.945 52.943 52.037 -0.064 0.000 0.689 373 A CB -0.267 18.685 19.000 -0.081 0.000 0.787 373 A HN 0.123 nan 8.150 nan 0.000 0.465 374 L N -0.904 120.288 121.223 -0.052 0.000 2.408 374 L HA 0.248 4.587 4.340 -0.002 0.000 0.215 374 L C 0.440 177.354 176.870 0.074 0.000 1.081 374 L CA -0.165 54.705 54.840 0.050 0.000 0.840 374 L CB -0.160 42.046 42.059 0.245 0.000 1.002 374 L HN 0.207 nan 8.230 nan 0.000 0.468 375 I N 1.530 122.037 120.570 -0.105 0.000 3.148 375 I HA -0.200 3.969 4.170 -0.002 0.000 0.317 375 I C 1.414 177.421 176.117 -0.184 0.000 1.237 375 I CA 1.374 62.465 61.300 -0.349 0.000 1.423 375 I CB -0.360 37.257 38.000 -0.639 0.000 1.352 375 I HN 0.482 nan 8.210 nan 0.000 0.526 376 G N 4.742 113.478 108.800 -0.107 0.000 2.213 376 G HA2 -0.286 3.673 3.960 -0.002 0.000 0.236 376 G HA3 -0.286 3.673 3.960 -0.002 0.000 0.236 376 G C 0.913 175.806 174.900 -0.012 0.000 0.991 376 G CA 0.241 45.318 45.100 -0.038 0.000 0.629 376 G HN 0.601 nan 8.290 nan 0.000 0.517 377 K N -0.394 120.008 120.400 0.004 0.000 2.348 377 K HA 0.502 4.821 4.320 -0.002 0.000 0.194 377 K C 0.602 177.204 176.600 0.004 0.000 1.052 377 K CA 1.123 57.413 56.287 0.005 0.000 1.004 377 K CB 1.067 33.574 32.500 0.011 0.000 0.873 377 K HN 0.839 nan 8.250 nan 0.000 0.523 378 V N -1.287 118.634 119.914 0.012 0.000 3.012 378 V HA 0.497 4.616 4.120 -0.002 0.000 0.307 378 V C -1.183 174.945 176.094 0.056 0.000 1.166 378 V CA -1.432 60.871 62.300 0.004 0.000 0.974 378 V CB 1.968 33.776 31.823 -0.025 0.000 1.040 378 V HN -0.131 nan 8.190 nan 0.000 0.428 379 R N 1.904 122.558 120.500 0.256 0.000 2.267 379 R HA 0.588 4.927 4.340 -0.002 0.000 0.319 379 R C -1.098 175.269 176.300 0.113 0.000 1.067 379 R CA -0.107 56.146 56.100 0.255 0.000 0.936 379 R CB 0.248 30.726 30.300 0.298 0.000 1.006 379 R HN 0.681 nan 8.270 nan 0.000 0.452 380 F N 1.458 121.486 119.950 0.131 0.000 2.385 380 F HA 0.175 4.701 4.527 -0.001 0.000 0.336 380 F C 1.671 177.471 175.800 -0.000 0.000 1.100 380 F CA 0.255 58.284 58.000 0.049 0.000 1.116 380 F CB 1.919 40.915 39.000 -0.006 0.000 1.166 380 F HN 0.574 nan 8.300 nan 0.000 0.511 381 S N 2.461 118.238 115.700 0.128 0.000 2.436 381 S HA 0.202 4.671 4.470 -0.002 0.000 0.228 381 S C 0.537 175.180 174.600 0.072 0.000 1.014 381 S CA 0.705 58.931 58.200 0.043 0.000 0.950 381 S CB 0.016 63.190 63.200 -0.043 0.000 0.784 381 S HN 0.567 nan 8.310 nan 0.000 0.504 382 R N -0.872 119.695 120.500 0.113 0.000 2.753 382 R HA 0.422 4.761 4.340 -0.002 0.000 0.272 382 R C -2.184 174.132 176.300 0.027 0.000 1.034 382 R CA -0.507 55.640 56.100 0.079 0.000 0.869 382 R CB 1.038 31.371 30.300 0.055 0.000 1.264 382 R HN 0.169 nan 8.270 nan 0.000 0.481 383 L N 0.380 121.601 121.223 -0.004 0.000 2.493 383 L HA 0.543 4.882 4.340 -0.002 0.000 0.265 383 L C 0.783 177.821 176.870 0.279 0.000 0.954 383 L CA 0.045 54.748 54.840 -0.229 0.000 0.844 383 L CB 2.149 43.481 42.059 -1.211 0.000 1.302 383 L HN 0.953 nan 8.230 nan 0.000 0.405 384 G N 2.846 111.771 108.800 0.208 0.000 2.574 384 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.286 384 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.286 384 G C -0.313 174.756 174.900 0.282 0.000 1.212 384 G CA 0.407 45.689 45.100 0.304 0.000 0.979 384 G HN 1.018 nan 8.290 nan 0.000 0.557 385 I N -2.494 118.185 120.570 0.183 0.000 2.730 385 I HA 0.734 4.903 4.170 -0.002 0.000 0.298 385 I C -0.157 175.692 176.117 -0.448 0.000 1.089 385 I CA -1.195 60.065 61.300 -0.066 0.000 1.041 385 I CB 2.259 40.246 38.000 -0.023 0.000 1.235 385 I HN 0.561 nan 8.210 nan 0.000 0.423 386 K N 2.962 122.842 120.400 -0.866 0.000 2.310 386 K HA 0.181 4.500 4.320 -0.002 0.000 0.290 386 K C 0.442 176.804 176.600 -0.397 0.000 1.077 386 K CA -0.439 55.187 56.287 -1.101 0.000 0.922 386 K CB 1.111 32.964 32.500 -1.078 0.000 1.057 386 K HN 0.687 nan 8.250 nan 0.000 0.479 387 L N 4.721 125.797 121.223 -0.245 0.000 2.049 387 L HA 0.187 4.526 4.340 -0.002 0.000 0.203 387 L C 0.097 177.037 176.870 0.117 0.000 1.074 387 L CA 1.678 56.532 54.840 0.024 0.000 0.749 387 L CB -0.029 42.095 42.059 0.108 0.000 0.907 387 L HN 0.705 nan 8.230 nan 0.000 0.439 388 A N -1.544 121.287 122.820 0.017 0.000 2.586 388 A HA 0.612 4.931 4.320 -0.002 0.000 0.290 388 A C -1.255 176.336 177.584 0.012 0.000 1.086 388 A CA -0.683 51.348 52.037 -0.011 0.000 0.665 388 A CB 0.652 19.527 19.000 -0.208 0.000 1.279 388 A HN 0.155 nan 8.150 nan 0.000 0.423 389 E N 0.829 121.033 120.200 0.007 0.000 2.187 389 E HA 0.516 4.865 4.350 -0.002 0.000 0.268 389 E C -0.648 175.962 176.600 0.017 0.000 0.896 389 E CA -0.618 55.806 56.400 0.039 0.000 0.766 389 E CB 1.813 31.529 29.700 0.027 0.000 1.142 389 E HN 0.716 nan 8.360 nan 0.000 0.408 390 T N 0.706 115.270 114.554 0.017 0.000 2.919 390 T HA 0.135 4.484 4.350 -0.002 0.000 0.302 390 T C -0.110 174.571 174.700 -0.032 0.000 1.031 390 T CA -0.368 61.664 62.100 -0.113 0.000 1.127 390 T CB 0.571 69.348 68.868 -0.151 0.000 0.952 390 T HN 0.511 nan 8.240 nan 0.000 0.540 391 H N 2.323 121.261 119.070 -0.220 0.000 3.096 391 H HA 0.241 4.796 4.556 -0.000 0.000 0.335 391 H C -0.082 175.146 175.328 -0.168 0.000 0.990 391 H CA -0.723 55.237 56.048 -0.147 0.000 1.393 391 H CB 0.631 30.328 29.762 -0.108 0.000 1.742 391 H HN 0.802 nan 8.280 nan 0.000 0.501 392 N N 2.189 120.765 118.700 -0.206 0.000 1.189 392 N HA -0.280 4.459 4.740 -0.002 0.000 0.105 392 N C 0.780 176.139 175.510 -0.251 0.000 0.794 392 N CA 1.430 54.331 53.050 -0.247 0.000 0.837 392 N CB -0.320 37.959 38.487 -0.348 0.000 0.971 392 N HN 0.647 nan 8.380 nan 0.000 0.657 393 K N 0.887 121.147 120.400 -0.234 0.000 2.360 393 K HA 0.024 4.343 4.320 -0.002 0.000 0.201 393 K C 1.236 177.615 176.600 -0.369 0.000 1.046 393 K CA 1.356 57.505 56.287 -0.231 0.000 0.940 393 K CB -0.890 31.523 32.500 -0.144 0.000 0.748 393 K HN 0.539 nan 8.250 nan 0.000 0.465 394 G N -0.668 107.889 108.800 -0.406 0.000 2.543 394 G HA2 0.439 4.398 3.960 -0.002 0.000 0.267 394 G HA3 0.439 4.398 3.960 -0.002 0.000 0.267 394 G C -1.078 173.374 174.900 -0.747 0.000 1.406 394 G CA -0.439 44.400 45.100 -0.436 0.000 1.048 394 G HN 0.094 nan 8.290 nan 0.000 0.548 395 Y N -1.092 119.034 120.300 -0.290 0.000 2.441 395 Y HA 0.407 4.956 4.550 -0.001 0.000 0.334 395 Y C 0.013 175.592 175.900 -0.536 0.000 1.061 395 Y CA -1.061 56.731 58.100 -0.513 0.000 1.032 395 Y CB 1.921 39.757 38.460 -1.041 0.000 1.266 395 Y HN 0.499 nan 8.280 nan 0.000 0.441 396 R N 1.371 121.751 120.500 -0.201 0.000 2.233 396 R HA 0.341 4.680 4.340 -0.002 0.000 0.334 396 R C -1.525 174.724 176.300 -0.085 0.000 1.037 396 R CA -0.612 55.419 56.100 -0.116 0.000 0.920 396 R CB 0.326 30.632 30.300 0.009 0.000 1.137 396 R HN 0.632 nan 8.270 nan 0.000 0.492 397 W N 2.608 123.979 121.300 0.119 0.000 2.193 397 W HA 0.025 4.684 4.660 -0.002 0.000 0.338 397 W C 0.674 177.233 176.519 0.066 0.000 1.310 397 W CA -0.278 57.110 57.345 0.072 0.000 1.243 397 W CB 0.424 29.916 29.460 0.053 0.000 1.165 397 W HN 0.260 nan 8.180 nan 0.000 0.566 398 Q N 2.878 122.841 119.800 0.273 0.000 2.230 398 Q HA 0.002 4.341 4.340 -0.002 0.000 0.248 398 Q C 1.416 177.527 176.000 0.184 0.000 0.915 398 Q CA -0.433 55.472 55.803 0.170 0.000 0.900 398 Q CB 1.178 29.953 28.738 0.062 0.000 1.229 398 Q HN 0.646 nan 8.270 nan 0.000 0.439 399 H N 2.778 121.913 119.070 0.109 0.000 2.319 399 H HA -0.214 4.341 4.556 -0.002 0.000 0.299 399 H C 1.608 176.989 175.328 0.088 0.000 1.092 399 H CA 2.418 58.539 56.048 0.121 0.000 1.302 399 H CB 0.454 30.285 29.762 0.116 0.000 1.373 399 H HN 0.890 nan 8.280 nan 0.000 0.497 400 E N 0.463 120.691 120.200 0.047 0.000 2.114 400 E HA -0.214 4.135 4.350 -0.002 0.000 0.199 400 E C 2.228 178.793 176.600 -0.058 0.000 1.008 400 E CA 1.623 58.016 56.400 -0.011 0.000 0.810 400 E CB -0.253 29.472 29.700 0.041 0.000 0.739 400 E HN 0.530 nan 8.360 nan 0.000 0.456 401 A N 0.283 123.087 122.820 -0.028 0.000 1.970 401 A HA -0.015 4.304 4.320 -0.002 0.000 0.216 401 A C 2.353 179.904 177.584 -0.056 0.000 1.170 401 A CA 1.063 53.091 52.037 -0.015 0.000 0.645 401 A CB -0.219 18.808 19.000 0.045 0.000 0.816 401 A HN 0.223 nan 8.150 nan 0.000 0.447 402 V N 0.735 120.596 119.914 -0.088 0.000 2.427 402 V HA -0.200 3.919 4.120 -0.002 0.000 0.248 402 V C 2.342 178.348 176.094 -0.148 0.000 1.051 402 V CA 1.432 63.658 62.300 -0.122 0.000 1.048 402 V CB -0.719 31.046 31.823 -0.097 0.000 0.666 402 V HN 0.498 nan 8.190 nan 0.000 0.456 403 I N 0.913 121.355 120.570 -0.213 0.000 2.286 403 I HA -0.179 3.990 4.170 -0.002 0.000 0.248 403 I C 2.564 178.637 176.117 -0.073 0.000 1.115 403 I CA 2.005 63.215 61.300 -0.150 0.000 1.392 403 I CB -1.516 36.381 38.000 -0.172 0.000 1.065 403 I HN 0.341 nan 8.210 nan 0.000 0.418 404 A N 0.469 123.255 122.820 -0.056 0.000 1.911 404 A HA 0.082 4.401 4.320 -0.002 0.000 0.212 404 A C 2.195 179.769 177.584 -0.016 0.000 1.189 404 A CA 0.694 52.721 52.037 -0.017 0.000 0.639 404 A CB -0.339 18.667 19.000 0.010 0.000 0.839 404 A HN 0.403 nan 8.150 nan 0.000 0.449 405 L N -0.935 120.267 121.223 -0.035 0.000 2.638 405 L HA 0.321 4.660 4.340 -0.002 0.000 0.232 405 L C 1.121 177.941 176.870 -0.083 0.000 1.099 405 L CA 0.058 54.875 54.840 -0.038 0.000 0.883 405 L CB -0.033 42.011 42.059 -0.025 0.000 1.136 405 L HN 0.261 nan 8.230 nan 0.000 0.492 406 A N 0.676 123.439 122.820 -0.095 0.000 2.451 406 A HA 0.297 4.617 4.320 -0.002 0.000 0.266 406 A C 0.381 177.914 177.584 -0.086 0.000 1.119 406 A CA 0.201 52.171 52.037 -0.112 0.000 0.786 406 A CB 0.298 19.230 19.000 -0.113 0.000 1.061 406 A HN 0.119 nan 8.150 nan 0.000 0.503 407 S N 3.891 119.535 115.700 -0.094 0.000 2.452 407 S HA 0.489 4.958 4.470 -0.002 0.000 0.284 407 S C -1.168 173.388 174.600 -0.072 0.000 1.171 407 S CA -1.459 56.695 58.200 -0.076 0.000 1.064 407 S CB 0.737 63.888 63.200 -0.083 0.000 0.967 407 S HN 0.594 nan 8.310 nan 0.000 0.484 408 P HA 0.048 nan 4.420 nan 0.000 0.215 408 P C -0.487 176.773 177.300 -0.067 0.000 1.160 408 P CA 0.570 63.642 63.100 -0.048 0.000 0.869 408 P CB -0.292 31.399 31.700 -0.016 0.000 0.782 409 D N 1.640 121.992 120.400 -0.079 0.000 2.422 409 D HA 0.040 4.679 4.640 -0.002 0.000 0.283 409 D C 0.301 176.553 176.300 -0.081 0.000 1.428 409 D CA 0.969 54.910 54.000 -0.098 0.000 1.117 409 D CB -0.926 39.821 40.800 -0.088 0.000 1.120 409 D HN 0.223 nan 8.370 nan 0.000 0.543 413 A N 0.783 123.605 122.820 0.002 0.000 2.429 413 A HA 0.548 4.868 4.320 -0.002 0.000 0.242 413 A C -0.614 177.060 177.584 0.151 0.000 1.088 413 A CA 0.111 52.168 52.037 0.033 0.000 0.784 413 A CB 0.154 19.157 19.000 0.003 0.000 1.038 413 A HN 0.428 nan 8.150 nan 0.000 0.501 414 F N 0.205 120.120 119.950 -0.059 0.000 2.653 414 F HA 0.296 4.822 4.527 -0.001 0.000 0.327 414 F C -0.085 175.698 175.800 -0.029 0.000 1.195 414 F CA -0.633 57.341 58.000 -0.043 0.000 0.993 414 F CB 1.221 40.190 39.000 -0.052 0.000 1.259 414 F HN 0.610 nan 8.300 nan 0.000 0.478 415 E N 6.426 126.418 120.200 -0.347 0.000 2.259 415 E HA 0.272 4.621 4.350 -0.002 0.000 0.281 415 E C -0.581 175.630 176.600 -0.649 0.000 1.037 415 E CA -0.250 55.949 56.400 -0.336 0.000 0.854 415 E CB 1.641 31.300 29.700 -0.069 0.000 1.051 415 E HN 0.676 nan 8.360 nan 0.000 0.409 416 L N 2.275 123.269 121.223 -0.383 0.000 2.439 416 L HA 0.156 4.495 4.340 -0.002 0.000 0.261 416 L C 1.165 177.976 176.870 -0.099 0.000 1.153 416 L CA -0.389 54.252 54.840 -0.332 0.000 0.808 416 L CB 0.789 42.656 42.059 -0.319 0.000 1.126 416 L HN 0.565 nan 8.230 nan 0.000 0.460 417 T N -1.634 112.857 114.554 -0.105 0.000 2.868 417 T HA 0.161 4.510 4.350 -0.002 0.000 0.292 417 T C -1.693 173.001 174.700 -0.011 0.000 1.028 417 T CA -1.531 60.573 62.100 0.006 0.000 1.059 417 T CB 0.860 69.722 68.868 -0.011 0.000 0.991 417 T HN 0.436 nan 8.240 nan 0.000 0.531 418 P HA -0.209 nan 4.420 nan 0.000 0.216 418 P C 1.644 178.884 177.300 -0.100 0.000 1.153 418 P CA 1.130 64.270 63.100 0.067 0.000 0.858 418 P CB 0.070 31.882 31.700 0.187 0.000 0.789 419 Q N 0.422 120.200 119.800 -0.036 0.000 2.030 419 Q HA -0.196 4.143 4.340 -0.002 0.000 0.204 419 Q C 2.184 178.142 176.000 -0.069 0.000 0.986 419 Q CA 1.824 57.609 55.803 -0.031 0.000 0.843 419 Q CB -0.511 28.227 28.738 0.001 0.000 0.904 419 Q HN 0.366 nan 8.270 nan 0.000 0.420 420 E N -0.436 119.708 120.200 -0.093 0.000 2.208 420 E HA -0.077 4.272 4.350 -0.002 0.000 0.193 420 E C 1.789 178.278 176.600 -0.185 0.000 0.988 420 E CA 0.692 57.038 56.400 -0.090 0.000 0.828 420 E CB -0.025 29.642 29.700 -0.055 0.000 0.763 420 E HN 0.386 nan 8.360 nan 0.000 0.478 421 A N 1.215 123.792 122.820 -0.405 0.000 1.902 421 A HA -0.269 4.050 4.320 -0.002 0.000 0.217 421 A C 2.073 179.473 177.584 -0.308 0.000 1.181 421 A CA 1.538 53.193 52.037 -0.636 0.000 0.623 421 A CB -0.413 17.604 19.000 -1.637 0.000 0.818 421 A HN 0.217 nan 8.150 nan 0.000 0.443 422 E N -0.479 119.618 120.200 -0.173 0.000 2.110 422 E HA -0.208 4.141 4.350 -0.002 0.000 0.193 422 E C 1.895 178.503 176.600 0.013 0.000 0.988 422 E CA 1.137 57.535 56.400 -0.003 0.000 0.804 422 E CB -0.078 29.627 29.700 0.008 0.000 0.745 422 E HN 0.583 nan 8.360 nan 0.000 0.458 423 E N 0.380 120.572 120.200 -0.013 0.000 2.038 423 E HA -0.224 4.126 4.350 -0.002 0.000 0.195 423 E C 1.760 178.351 176.600 -0.015 0.000 1.000 423 E CA 0.836 57.240 56.400 0.007 0.000 0.803 423 E CB -0.663 29.058 29.700 0.035 0.000 0.750 423 E HN 0.526 nan 8.360 nan 0.000 0.448 424 W N 0.775 121.928 121.300 -0.245 0.000 2.318 424 W HA -0.283 4.375 4.660 -0.002 0.000 0.313 424 W C 1.804 178.085 176.519 -0.396 0.000 1.221 424 W CA 1.502 58.636 57.345 -0.352 0.000 1.266 424 W CB -0.512 28.620 29.460 -0.545 0.000 1.150 424 W HN 0.138 nan 8.180 nan 0.000 0.496 425 Y N 0.409 120.637 120.300 -0.120 0.000 2.352 425 Y HA -0.128 4.422 4.550 -0.001 0.000 0.292 425 Y C 2.482 178.306 175.900 -0.126 0.000 1.136 425 Y CA 1.637 59.563 58.100 -0.290 0.000 1.227 425 Y CB -1.085 37.263 38.460 -0.186 0.000 0.991 425 Y HN -0.176 nan 8.280 nan 0.000 0.545 426 R N 0.582 121.117 120.500 0.057 0.000 2.316 426 R HA 0.106 4.445 4.340 -0.002 0.000 0.202 426 R C 1.071 177.366 176.300 -0.008 0.000 1.029 426 R CA 0.639 56.763 56.100 0.039 0.000 1.018 426 R CB -0.676 29.640 30.300 0.026 0.000 0.888 426 R HN 0.306 nan 8.270 nan 0.000 0.471 427 G N 0.513 109.254 108.800 -0.098 0.000 2.256 427 G HA2 -0.338 3.621 3.960 -0.002 0.000 0.272 427 G HA3 -0.338 3.621 3.960 -0.002 0.000 0.272 427 G C -0.203 174.583 174.900 -0.190 0.000 1.076 427 G CA 0.520 45.512 45.100 -0.179 0.000 0.882 427 G HN 0.436 nan 8.290 nan 0.000 0.497 428 R N -0.240 120.149 120.500 -0.184 0.000 2.803 428 R HA 0.495 4.835 4.340 -0.002 0.000 0.276 428 R C -0.327 175.914 176.300 -0.098 0.000 0.978 428 R CA -0.904 55.140 56.100 -0.093 0.000 0.939 428 R CB 1.082 31.377 30.300 -0.010 0.000 1.179 428 R HN 0.169 nan 8.270 nan 0.000 0.472 429 D N 1.276 121.652 120.400 -0.040 0.000 2.357 429 D HA 0.158 4.797 4.640 -0.002 0.000 0.242 429 D C -0.575 175.678 176.300 -0.077 0.000 1.153 429 D CA 0.081 54.033 54.000 -0.081 0.000 0.918 429 D CB 1.587 42.318 40.800 -0.114 0.000 1.181 429 D HN 0.048 nan 8.370 nan 0.000 0.435 430 V N 1.753 121.553 119.914 -0.191 0.000 2.604 430 V HA 0.204 4.323 4.120 -0.002 0.000 0.305 430 V C -1.087 174.809 176.094 -0.329 0.000 1.043 430 V CA -0.696 61.541 62.300 -0.105 0.000 0.888 430 V CB 1.352 33.216 31.823 0.069 0.000 0.995 430 V HN 0.386 nan 8.190 nan 0.000 0.429 431 Y N 5.692 126.044 120.300 0.086 0.000 2.575 431 Y HA 0.480 5.029 4.550 -0.002 0.000 0.326 431 Y C -2.038 173.921 175.900 0.099 0.000 0.979 431 Y CA -2.638 55.511 58.100 0.081 0.000 1.286 431 Y CB 1.108 39.599 38.460 0.053 0.000 1.093 431 Y HN 0.462 nan 8.280 nan 0.000 0.501 432 P HA 0.192 nan 4.420 nan 0.000 0.282 432 P C -0.101 177.308 177.300 0.182 0.000 1.249 432 P CA -0.392 62.861 63.100 0.255 0.000 0.806 432 P CB 1.706 33.630 31.700 0.372 0.000 0.984 433 Q N 1.382 121.284 119.800 0.171 0.000 2.096 433 Q HA -0.080 4.259 4.340 -0.002 0.000 0.197 433 Q C 2.063 178.114 176.000 0.084 0.000 0.964 433 Q CA 1.589 57.460 55.803 0.113 0.000 0.838 433 Q CB -0.379 28.417 28.738 0.097 0.000 0.906 433 Q HN 0.619 nan 8.270 nan 0.000 0.444 434 A N 1.656 124.546 122.820 0.117 0.000 1.836 434 A HA 0.016 4.335 4.320 -0.002 0.000 0.215 434 A C 1.130 178.654 177.584 -0.100 0.000 1.214 434 A CA 1.662 53.709 52.037 0.016 0.000 0.636 434 A CB -1.010 18.014 19.000 0.041 0.000 0.847 434 A HN 0.685 nan 8.150 nan 0.000 0.451 435 A N -1.667 121.024 122.820 -0.215 0.000 2.451 435 A HA 0.108 4.427 4.320 -0.002 0.000 0.273 435 A C -1.148 176.267 177.584 -0.281 0.000 1.384 435 A CA 0.115 52.028 52.037 -0.206 0.000 0.719 435 A CB -2.731 16.232 19.000 -0.062 0.000 1.146 435 A HN 0.701 nan 8.150 nan 0.000 0.353 436 P HA 0.237 nan 4.420 nan 0.000 0.272 436 P C 1.193 178.380 177.300 -0.189 0.000 1.248 436 P CA 0.322 63.200 63.100 -0.369 0.000 0.799 436 P CB 0.761 32.189 31.700 -0.454 0.000 0.997 437 V N -0.588 119.242 119.914 -0.139 0.000 2.825 437 V HA 0.116 4.235 4.120 -0.002 0.000 0.246 437 V C 1.108 177.165 176.094 -0.061 0.000 1.068 437 V CA 1.083 63.333 62.300 -0.084 0.000 1.088 437 V CB -0.785 30.998 31.823 -0.067 0.000 0.733 437 V HN 0.772 nan 8.190 nan 0.000 0.468 438 A N 0.808 123.589 122.820 -0.064 0.000 2.561 438 A HA -0.001 4.318 4.320 -0.002 0.000 0.234 438 A C 0.807 178.378 177.584 -0.020 0.000 1.055 438 A CA 0.847 52.863 52.037 -0.036 0.000 0.756 438 A CB -0.154 18.825 19.000 -0.035 0.000 0.986 438 A HN 0.710 nan 8.150 nan 0.000 0.505 439 D N 0.310 120.712 120.400 0.003 0.000 2.271 439 D HA 0.127 4.766 4.640 -0.002 0.000 0.206 439 D C -0.538 175.787 176.300 0.041 0.000 0.967 439 D CA 0.741 54.753 54.000 0.019 0.000 0.867 439 D CB 0.119 40.935 40.800 0.028 0.000 0.960 439 D HN 0.552 nan 8.370 nan 0.000 0.509 440 D N 0.174 120.601 120.400 0.046 0.000 2.408 440 D HA 0.362 5.001 4.640 -0.002 0.000 0.243 440 D C -1.464 174.853 176.300 0.029 0.000 1.075 440 D CA -0.535 53.504 54.000 0.064 0.000 0.832 440 D CB 2.411 43.280 40.800 0.114 0.000 1.162 440 D HN -0.139 nan 8.370 nan 0.000 0.515 441 V N 4.233 124.164 119.914 0.029 0.000 2.444 441 V HA 0.415 4.534 4.120 -0.002 0.000 0.294 441 V C -1.277 174.813 176.094 -0.005 0.000 1.022 441 V CA -0.860 61.446 62.300 0.010 0.000 0.850 441 V CB 1.459 33.291 31.823 0.014 0.000 0.992 441 V HN 0.391 nan 8.190 nan 0.000 0.426 442 L N 8.365 129.573 121.223 -0.025 0.000 2.369 442 L HA 0.466 4.805 4.340 -0.002 0.000 0.279 442 L C -0.261 176.569 176.870 -0.067 0.000 1.108 442 L CA 0.469 55.271 54.840 -0.062 0.000 0.852 442 L CB 1.136 43.150 42.059 -0.075 0.000 1.169 442 L HN 0.500 nan 8.230 nan 0.000 0.452 443 V N 5.105 124.919 119.914 -0.166 0.000 2.333 443 V HA 0.419 4.538 4.120 -0.002 0.000 0.274 443 V C 0.503 176.441 176.094 -0.260 0.000 1.028 443 V CA -0.335 61.809 62.300 -0.259 0.000 0.851 443 V CB 0.976 32.463 31.823 -0.559 0.000 1.000 443 V HN 0.911 nan 8.190 nan 0.000 0.456 444 T N 2.309 116.769 114.554 -0.157 0.000 2.895 444 T HA 0.757 5.106 4.350 -0.002 0.000 0.283 444 T C -1.018 173.680 174.700 -0.003 0.000 1.014 444 T CA -0.583 61.471 62.100 -0.076 0.000 1.037 444 T CB 1.829 70.695 68.868 -0.003 0.000 1.006 444 T HN 0.284 nan 8.240 nan 0.000 0.468 445 F N 3.765 123.618 119.950 -0.161 0.000 2.539 445 F HA 0.353 4.879 4.527 -0.002 0.000 0.318 445 F C 0.570 176.297 175.800 -0.122 0.000 1.135 445 F CA -1.254 56.658 58.000 -0.147 0.000 0.915 445 F CB 1.679 40.606 39.000 -0.122 0.000 1.176 445 F HN 0.933 nan 8.300 nan 0.000 0.440 446 Q N 6.065 125.460 119.800 -0.675 0.000 2.461 446 Q HA -0.299 4.040 4.340 -0.002 0.000 0.273 446 Q C -0.484 175.258 176.000 -0.430 0.000 1.163 446 Q CA 1.369 56.769 55.803 -0.671 0.000 0.929 446 Q CB -2.482 25.885 28.738 -0.618 0.000 1.334 446 Q HN 0.978 nan 8.270 nan 0.000 0.499 447 H N -2.265 116.726 119.070 -0.131 0.000 2.839 447 H HA -0.109 4.446 4.556 -0.002 0.000 0.298 447 H C -0.449 174.842 175.328 -0.061 0.000 1.224 447 H CA 1.523 57.521 56.048 -0.083 0.000 1.144 447 H CB -1.376 28.341 29.762 -0.075 0.000 1.372 447 H HN 0.553 nan 8.280 nan 0.000 0.408 448 Q N 0.539 120.359 119.800 0.034 0.000 2.340 448 Q HA 0.334 4.673 4.340 -0.002 0.000 0.268 448 Q C -2.404 173.595 176.000 -0.002 0.000 1.031 448 Q CA -2.084 53.732 55.803 0.021 0.000 0.804 448 Q CB 2.353 31.108 28.738 0.027 0.000 1.286 448 Q HN 0.055 nan 8.270 nan 0.000 0.448 449 P HA -0.039 nan 4.420 nan 0.000 0.258 449 P C 0.094 177.356 177.300 -0.063 0.000 1.172 449 P CA 0.177 63.239 63.100 -0.063 0.000 0.762 449 P CB 0.564 32.224 31.700 -0.067 0.000 0.764 450 I N 2.296 122.783 120.570 -0.139 0.000 4.187 450 I HA 0.372 4.541 4.170 -0.002 0.000 0.326 450 I C 1.271 177.297 176.117 -0.151 0.000 1.302 450 I CA 0.445 61.642 61.300 -0.173 0.000 1.196 450 I CB -0.112 37.657 38.000 -0.385 0.000 1.095 450 I HN 0.576 nan 8.210 nan 0.000 0.411 451 G N 0.185 108.872 108.800 -0.188 0.000 2.328 451 G HA2 0.354 4.313 3.960 -0.002 0.000 0.299 451 G HA3 0.354 4.313 3.960 -0.002 0.000 0.299 451 G C -2.113 172.757 174.900 -0.050 0.000 1.435 451 G CA -0.756 44.381 45.100 0.062 0.000 0.865 451 G HN -0.025 nan 8.290 nan 0.000 0.601 452 L N 0.682 122.009 121.223 0.173 0.000 2.343 452 L HA 0.860 5.199 4.340 -0.002 0.000 0.278 452 L C 0.255 177.268 176.870 0.238 0.000 0.996 452 L CA -0.580 54.335 54.840 0.125 0.000 0.831 452 L CB 1.272 43.415 42.059 0.140 0.000 1.232 452 L HN 1.257 nan 8.230 nan 0.000 0.413 453 A N 5.148 128.072 122.820 0.173 0.000 2.355 453 A HA 0.667 4.986 4.320 -0.002 0.000 0.324 453 A C -0.964 176.715 177.584 0.159 0.000 1.117 453 A CA -0.807 51.380 52.037 0.249 0.000 0.785 453 A CB 1.196 20.376 19.000 0.301 0.000 1.254 453 A HN 0.685 nan 8.150 nan 0.000 0.453 454 K N 0.683 121.172 120.400 0.149 0.000 2.144 454 K HA 0.478 4.797 4.320 -0.002 0.000 0.270 454 K C 1.505 178.145 176.600 0.065 0.000 1.005 454 K CA 0.035 56.383 56.287 0.101 0.000 0.932 454 K CB 1.092 33.649 32.500 0.095 0.000 1.021 454 K HN 0.762 nan 8.250 nan 0.000 0.462 455 R N 2.695 123.220 120.500 0.041 0.000 2.075 455 R HA -0.016 4.323 4.340 -0.002 0.000 0.232 455 R C 1.126 177.426 176.300 -0.000 0.000 1.126 455 R CA 1.437 57.544 56.100 0.012 0.000 0.963 455 R CB -1.201 29.099 30.300 0.001 0.000 0.858 455 R HN 0.870 nan 8.270 nan 0.000 0.435 456 I N 0.283 120.860 120.570 0.012 0.000 3.672 456 I HA -0.292 3.878 4.170 -0.002 0.000 0.126 456 I C 1.580 177.703 176.117 0.011 0.000 1.009 456 I CA 0.740 62.048 61.300 0.013 0.000 2.742 456 I CB -2.053 35.956 38.000 0.015 0.000 1.271 456 I HN 0.872 nan 8.210 nan 0.000 0.342 457 G N 4.449 113.258 108.800 0.013 0.000 3.581 457 G HA2 -0.448 3.511 3.960 -0.002 0.000 0.336 457 G HA3 -0.448 3.511 3.960 -0.002 0.000 0.336 457 G C 0.603 175.512 174.900 0.014 0.000 1.259 457 G CA 1.031 46.142 45.100 0.019 0.000 1.001 457 G HN 1.391 nan 8.290 nan 0.000 0.662 458 S N 0.446 116.165 115.700 0.032 0.000 2.749 458 S HA 0.425 4.894 4.470 -0.002 0.000 0.246 458 S C 1.419 176.009 174.600 -0.017 0.000 1.023 458 S CA 0.810 59.035 58.200 0.043 0.000 1.012 458 S CB 0.774 64.041 63.200 0.113 0.000 0.942 458 S HN 1.149 nan 8.310 nan 0.000 0.531 459 R N 0.583 121.011 120.500 -0.119 0.000 2.342 459 R HA 0.380 4.719 4.340 -0.002 0.000 0.204 459 R C -0.592 175.485 176.300 -0.371 0.000 0.882 459 R CA -0.187 55.660 56.100 -0.421 0.000 1.041 459 R CB -0.414 29.665 30.300 -0.368 0.000 1.188 459 R HN 0.206 nan 8.270 nan 0.000 0.598 460 L N 2.958 124.101 121.223 -0.134 0.000 3.162 460 L HA -0.159 4.180 4.340 -0.002 0.000 0.673 460 L C -0.529 176.349 176.870 0.012 0.000 1.045 460 L CA 0.995 55.825 54.840 -0.016 0.000 1.297 460 L CB -0.771 41.303 42.059 0.025 0.000 1.732 460 L HN 0.381 nan 8.230 nan 0.000 0.855 461 K N 2.255 122.681 120.400 0.044 0.000 2.350 461 K HA 0.149 4.468 4.320 -0.002 0.000 0.279 461 K C 0.542 177.169 176.600 0.044 0.000 1.027 461 K CA -0.440 55.859 56.287 0.020 0.000 0.969 461 K CB 0.498 33.011 32.500 0.022 0.000 0.954 461 K HN 0.528 nan 8.250 nan 0.000 0.474 462 N N 1.233 119.828 118.700 -0.175 0.000 2.468 462 N HA -0.067 4.672 4.740 -0.002 0.000 0.265 462 N C -0.095 175.183 175.510 -0.387 0.000 1.199 462 N CA 0.068 52.743 53.050 -0.625 0.000 0.928 462 N CB 0.560 38.684 38.487 -0.605 0.000 1.059 462 N HN 0.534 nan 8.380 nan 0.000 0.467 463 S N 2.629 118.112 115.700 -0.360 0.000 2.937 463 S HA 0.050 4.519 4.470 -0.002 0.000 0.252 463 S C -0.476 174.187 174.600 0.104 0.000 1.022 463 S CA -0.627 57.594 58.200 0.035 0.000 1.079 463 S CB -0.389 62.975 63.200 0.273 0.000 1.035 463 S HN 0.587 nan 8.310 nan 0.000 0.594 464 Y N 4.317 124.446 120.300 -0.285 0.000 2.436 464 Y HA 0.460 5.009 4.550 -0.002 0.000 0.336 464 Y C -2.744 173.009 175.900 -0.244 0.000 1.049 464 Y CA -2.331 55.639 58.100 -0.216 0.000 1.294 464 Y CB 0.198 38.430 38.460 -0.380 0.000 1.179 464 Y HN 0.132 nan 8.280 nan 0.000 0.520 465 P HA -0.019 nan 4.420 nan 0.000 0.262 465 P C -0.073 176.929 177.300 -0.498 0.000 1.182 465 P CA 0.296 63.115 63.100 -0.469 0.000 0.761 465 P CB 0.585 32.006 31.700 -0.466 0.000 0.795 466 R N 3.736 124.072 120.500 -0.273 0.000 2.081 466 R HA -0.193 4.146 4.340 -0.002 0.000 0.235 466 R C 1.243 177.433 176.300 -0.183 0.000 1.131 466 R CA 1.656 57.639 56.100 -0.195 0.000 0.960 466 R CB -1.106 29.125 30.300 -0.114 0.000 0.856 466 R HN 0.432 nan 8.270 nan 0.000 0.436 467 E N 1.304 121.399 120.200 -0.174 0.000 2.444 467 E HA -0.168 4.181 4.350 -0.002 0.000 0.204 467 E C 1.257 177.764 176.600 -0.155 0.000 1.049 467 E CA 1.131 57.452 56.400 -0.133 0.000 0.872 467 E CB -0.220 29.415 29.700 -0.108 0.000 0.791 467 E HN 0.515 nan 8.360 nan 0.000 0.548 468 L N 0.472 121.534 121.223 -0.269 0.000 2.920 468 L HA 0.174 4.513 4.340 -0.002 0.000 0.257 468 L C 0.551 177.423 176.870 0.004 0.000 1.150 468 L CA -0.453 54.250 54.840 -0.229 0.000 0.959 468 L CB 0.722 42.505 42.059 -0.460 0.000 1.321 468 L HN 0.036 nan 8.230 nan 0.000 0.555 469 V N 0.040 119.958 119.914 0.006 0.000 2.434 469 V HA 0.166 4.285 4.120 -0.002 0.000 0.281 469 V C 0.625 176.835 176.094 0.192 0.000 1.005 469 V CA -0.485 61.976 62.300 0.268 0.000 1.089 469 V CB -0.078 31.817 31.823 0.120 0.000 0.978 469 V HN 0.220 nan 8.190 nan 0.000 0.474 470 R N 4.509 125.156 120.500 0.246 0.000 2.585 470 R HA 0.152 4.491 4.340 -0.002 0.000 0.275 470 R C 0.864 177.208 176.300 0.074 0.000 1.018 470 R CA 0.372 56.544 56.100 0.121 0.000 1.072 470 R CB 0.417 30.764 30.300 0.079 0.000 0.953 470 R HN 0.948 nan 8.270 nan 0.000 0.419 471 D N 0.888 121.314 120.400 0.045 0.000 2.240 471 D HA 0.066 4.706 4.640 -0.002 0.000 0.206 471 D C 1.143 177.457 176.300 0.024 0.000 0.963 471 D CA 1.024 55.041 54.000 0.029 0.000 0.863 471 D CB -0.035 40.776 40.800 0.018 0.000 0.973 471 D HN 0.540 nan 8.370 nan 0.000 0.501 472 G N 0.293 109.106 108.800 0.022 0.000 3.157 472 G HA2 0.318 4.277 3.960 -0.002 0.000 0.206 472 G HA3 0.318 4.277 3.960 -0.002 0.000 0.206 472 G C -0.076 174.837 174.900 0.021 0.000 1.903 472 G CA -0.371 44.740 45.100 0.017 0.000 0.771 472 G HN 0.183 nan 8.290 nan 0.000 0.750 473 K N -0.182 120.230 120.400 0.019 0.000 2.340 473 K HA 0.785 5.104 4.320 -0.002 0.000 0.244 473 K C -1.548 175.069 176.600 0.028 0.000 0.973 473 K CA -0.586 55.717 56.287 0.026 0.000 0.828 473 K CB 2.259 34.775 32.500 0.026 0.000 1.226 473 K HN 0.370 nan 8.250 nan 0.000 0.437 474 L N 0.000 121.248 121.223 0.042 0.000 2.949 474 L HA 0.000 4.339 4.340 -0.002 0.000 0.249 474 L CA 0.000 54.871 54.840 0.052 0.000 0.813 474 L CB 0.000 42.090 42.059 0.051 0.000 0.961 474 L HN 0.000 nan 8.230 nan 0.000 0.502