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 1g20_1_C DATA FIRST_RESID 5 DATA SEQUENCE SREEVESLIQ EVLEVYPEKA RKDRNKHLAV NDPAVTQSKK CIISNKKSQP DATA SEQUENCE GLMTIRGCAY AGSKGVVWGP IKDMIHISHG PVGCGQYSRA GRRNYYIGTT DATA SEQUENCE GVNAFVTMNF TSDFQEKDIV FGGDKKLAKL IDEVETLFPL NKGISVQSEC DATA SEQUENCE PIGLIGDDIE SVSKVKGAEL SKTIVPVRCE GFRGVSQSLG HHIANDAVRD DATA SEQUENCE WVLGKRDEDT TFASTPYDVA IIGDYNIGGD AWSSRILLEE MGLRCVAQWS DATA SEQUENCE GDGSISEIEL TPKVKLNLVH CYRSMNYISR HMEEKYGIPW MEYNFFGPTK DATA SEQUENCE TIESLRAIAA KFDESIQKKC EEVIAKYKPE WEAVVAKYRP RLEGKRVMLY DATA SEQUENCE IGGLRPRHVI GAYEDLGMEV VGTGYEFAHN DDYDRTMKEM GDSTLLYDDV DATA SEQUENCE TGYEFEEFVK RIKPDLIGSG IKEKFIFQKM GIPFREMHSW DYSGPYHGFD DATA SEQUENCE GFAIFARDMD MTLNNPCWKK LQAPWE 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.589 174.600 -0.019 0.000 1.055 5 S CA 0.000 58.189 58.200 -0.018 0.000 1.107 5 S CB 0.000 63.188 63.200 -0.020 0.000 0.593 6 R N 1.580 122.071 120.500 -0.014 0.000 2.112 6 R HA 0.312 4.652 4.340 0.001 0.000 0.216 6 R C 1.501 177.795 176.300 -0.011 0.000 1.080 6 R CA 1.212 57.303 56.100 -0.014 0.000 0.996 6 R CB -0.628 29.665 30.300 -0.011 0.000 0.902 6 R HN 0.289 nan 8.270 nan 0.000 0.449 7 E N -0.408 119.788 120.200 -0.007 0.000 2.465 7 E HA -0.009 4.341 4.350 0.001 0.000 0.209 7 E C 1.500 178.099 176.600 -0.001 0.000 0.951 7 E CA 0.113 56.511 56.400 -0.003 0.000 0.997 7 E CB 0.610 30.310 29.700 0.000 0.000 1.025 7 E HN 0.656 nan 8.360 nan 0.000 0.500 8 E N 1.518 121.716 120.200 -0.005 0.000 2.077 8 E HA -0.129 4.221 4.350 0.001 0.000 0.193 8 E C 1.990 178.587 176.600 -0.005 0.000 0.989 8 E CA 1.718 58.116 56.400 -0.003 0.000 0.800 8 E CB 0.257 29.952 29.700 -0.007 0.000 0.746 8 E HN 0.141 nan 8.360 nan 0.000 0.452 9 V N -1.354 118.549 119.914 -0.019 0.000 2.809 9 V HA -0.086 4.034 4.120 0.001 0.000 0.256 9 V C 1.862 177.941 176.094 -0.024 0.000 1.080 9 V CA 1.589 63.866 62.300 -0.038 0.000 1.102 9 V CB -0.499 31.287 31.823 -0.062 0.000 0.705 9 V HN 0.087 nan 8.190 nan 0.000 0.475 10 E N 0.726 120.923 120.200 -0.005 0.000 2.170 10 E HA -0.058 4.292 4.350 0.001 0.000 0.191 10 E C 2.297 178.916 176.600 0.031 0.000 0.981 10 E CA 1.067 57.475 56.400 0.013 0.000 0.830 10 E CB -0.034 29.672 29.700 0.011 0.000 0.775 10 E HN 0.586 nan 8.360 nan 0.000 0.470 11 S N 0.680 116.396 115.700 0.026 0.000 2.461 11 S HA 0.027 4.498 4.470 0.001 0.000 0.228 11 S C 1.792 176.422 174.600 0.050 0.000 1.005 11 S CA 0.150 58.371 58.200 0.034 0.000 0.942 11 S CB 0.067 63.282 63.200 0.024 0.000 0.776 11 S HN 0.215 nan 8.310 nan 0.000 0.514 12 L N 0.674 121.928 121.223 0.052 0.000 2.023 12 L HA 0.005 4.346 4.340 0.001 0.000 0.205 12 L C 2.054 179.017 176.870 0.155 0.000 1.073 12 L CA 1.383 56.275 54.840 0.087 0.000 0.745 12 L CB -0.389 41.706 42.059 0.060 0.000 0.900 12 L HN 0.355 nan 8.230 nan 0.000 0.435 13 I N -0.153 120.499 120.570 0.138 0.000 2.151 13 I HA -0.371 3.800 4.170 0.001 0.000 0.243 13 I C 2.539 178.762 176.117 0.176 0.000 1.080 13 I CA 1.344 62.772 61.300 0.213 0.000 1.339 13 I CB -0.205 37.873 38.000 0.130 0.000 1.039 13 I HN 0.374 nan 8.210 nan 0.000 0.409 14 Q N 0.449 120.316 119.800 0.112 0.000 2.170 14 Q HA -0.227 4.113 4.340 0.001 0.000 0.203 14 Q C 1.968 178.011 176.000 0.072 0.000 0.976 14 Q CA 1.484 57.338 55.803 0.086 0.000 0.858 14 Q CB -0.121 28.654 28.738 0.062 0.000 0.907 14 Q HN 0.438 nan 8.270 nan 0.000 0.433 15 E N -1.456 118.790 120.200 0.077 0.000 2.216 15 E HA -0.073 4.277 4.350 0.001 0.000 0.192 15 E C 1.461 178.100 176.600 0.065 0.000 0.988 15 E CA 0.556 56.992 56.400 0.061 0.000 0.834 15 E CB 0.336 30.070 29.700 0.058 0.000 0.772 15 E HN 0.169 nan 8.360 nan 0.000 0.479 16 V N 0.820 120.790 119.914 0.093 0.000 2.346 16 V HA -0.179 3.941 4.120 0.001 0.000 0.244 16 V C 2.217 178.278 176.094 -0.056 0.000 1.037 16 V CA 1.056 63.411 62.300 0.091 0.000 1.029 16 V CB -0.262 31.610 31.823 0.081 0.000 0.663 16 V HN 0.329 nan 8.190 nan 0.000 0.454 17 L N -0.100 121.094 121.223 -0.049 0.000 2.261 17 L HA -0.209 4.132 4.340 0.001 0.000 0.216 17 L C 2.434 179.219 176.870 -0.141 0.000 1.114 17 L CA 1.393 56.163 54.840 -0.115 0.000 0.777 17 L CB -0.626 41.492 42.059 0.098 0.000 0.910 17 L HN 0.428 nan 8.230 nan 0.000 0.440 18 E N -0.553 119.599 120.200 -0.080 0.000 2.209 18 E HA -0.221 4.130 4.350 0.001 0.000 0.196 18 E C 2.243 178.785 176.600 -0.097 0.000 0.993 18 E CA 0.986 57.357 56.400 -0.048 0.000 0.819 18 E CB -0.030 29.663 29.700 -0.011 0.000 0.745 18 E HN 0.290 nan 8.360 nan 0.000 0.477 19 V N 0.375 120.142 119.914 -0.245 0.000 2.667 19 V HA -0.154 3.966 4.120 0.001 0.000 0.252 19 V C 0.631 176.634 176.094 -0.152 0.000 1.065 19 V CA 0.887 63.012 62.300 -0.291 0.000 1.083 19 V CB -0.223 31.209 31.823 -0.652 0.000 0.692 19 V HN 0.170 nan 8.190 nan 0.000 0.468 20 Y N 0.842 121.057 120.300 -0.141 0.000 2.457 20 Y HA 0.225 4.776 4.550 0.001 0.000 0.341 20 Y C -1.619 174.246 175.900 -0.058 0.000 1.240 20 Y CA -2.149 55.889 58.100 -0.103 0.000 1.437 20 Y CB -0.116 38.306 38.460 -0.063 0.000 1.328 20 Y HN 0.167 nan 8.280 nan 0.000 0.588 21 P HA -0.001 nan 4.420 nan 0.000 0.274 21 P C 0.257 177.587 177.300 0.050 0.000 1.231 21 P CA 0.002 63.129 63.100 0.046 0.000 0.790 21 P CB 0.888 32.590 31.700 0.003 0.000 0.951 22 E N 3.073 123.295 120.200 0.037 0.000 2.114 22 E HA -0.279 4.072 4.350 0.001 0.000 0.199 22 E C 1.652 178.268 176.600 0.025 0.000 1.008 22 E CA 1.931 58.353 56.400 0.037 0.000 0.810 22 E CB -0.285 29.430 29.700 0.025 0.000 0.739 22 E HN 0.371 nan 8.360 nan 0.000 0.456 23 K N -0.526 119.876 120.400 0.004 0.000 2.001 23 K HA -0.094 4.227 4.320 0.001 0.000 0.208 23 K C 2.108 178.694 176.600 -0.024 0.000 1.048 23 K CA 1.389 57.672 56.287 -0.007 0.000 0.932 23 K CB -0.372 32.118 32.500 -0.018 0.000 0.715 23 K HN 0.161 nan 8.250 nan 0.000 0.437 24 A N 1.666 124.444 122.820 -0.070 0.000 1.933 24 A HA -0.176 4.144 4.320 0.001 0.000 0.218 24 A C 2.199 179.712 177.584 -0.118 0.000 1.175 24 A CA 1.557 53.489 52.037 -0.175 0.000 0.628 24 A CB -0.612 18.177 19.000 -0.352 0.000 0.814 24 A HN 0.446 nan 8.150 nan 0.000 0.444 25 R N 0.049 120.567 120.500 0.030 0.000 2.073 25 R HA -0.150 4.191 4.340 0.001 0.000 0.234 25 R C 2.017 178.397 176.300 0.132 0.000 1.134 25 R CA 1.887 58.097 56.100 0.183 0.000 0.952 25 R CB -0.242 30.163 30.300 0.175 0.000 0.850 25 R HN 0.530 nan 8.270 nan 0.000 0.433 26 K N -0.194 120.253 120.400 0.079 0.000 2.097 26 K HA -0.160 4.160 4.320 0.001 0.000 0.205 26 K C 1.704 178.352 176.600 0.080 0.000 1.050 26 K CA 1.596 57.925 56.287 0.070 0.000 0.938 26 K CB -0.136 32.391 32.500 0.046 0.000 0.718 26 K HN 0.227 nan 8.250 nan 0.000 0.442 27 D N 0.530 120.975 120.400 0.075 0.000 2.162 27 D HA -0.076 4.564 4.640 0.001 0.000 0.203 27 D C 1.833 178.260 176.300 0.212 0.000 0.967 27 D CA 0.781 54.853 54.000 0.120 0.000 0.840 27 D CB 0.308 41.154 40.800 0.077 0.000 0.972 27 D HN -0.096 nan 8.370 nan 0.000 0.482 28 R N 0.412 121.006 120.500 0.157 0.000 2.235 28 R HA 0.005 4.346 4.340 0.001 0.000 0.213 28 R C 1.723 178.183 176.300 0.266 0.000 1.059 28 R CA 0.274 56.512 56.100 0.229 0.000 0.997 28 R CB -0.910 29.538 30.300 0.246 0.000 0.884 28 R HN 0.290 nan 8.270 nan 0.000 0.462 29 N N 1.991 120.814 118.700 0.205 0.000 2.188 29 N HA -0.142 4.598 4.740 0.001 0.000 0.184 29 N C 1.087 176.666 175.510 0.114 0.000 1.018 29 N CA 1.255 54.401 53.050 0.160 0.000 0.858 29 N CB 0.135 38.693 38.487 0.118 0.000 0.989 29 N HN 0.372 nan 8.380 nan 0.000 0.426 30 K N -1.660 118.787 120.400 0.078 0.000 2.487 30 K HA 0.029 4.349 4.320 0.001 0.000 0.192 30 K C 0.491 176.999 176.600 -0.154 0.000 1.027 30 K CA 0.669 56.932 56.287 -0.040 0.000 1.054 30 K CB -0.079 32.366 32.500 -0.092 0.000 0.824 30 K HN 0.270 nan 8.250 nan 0.000 0.510 31 H N 0.325 119.432 119.070 0.062 0.000 2.586 31 H HA 0.333 4.889 4.556 0.001 0.000 0.273 31 H C -0.400 174.996 175.328 0.114 0.000 0.997 31 H CA -0.136 55.951 56.048 0.065 0.000 1.177 31 H CB 0.461 30.282 29.762 0.098 0.000 1.471 31 H HN -0.025 nan 8.280 nan 0.000 0.538 32 L N 0.654 122.003 121.223 0.210 0.000 2.341 32 L HA 0.757 5.097 4.340 0.001 0.000 0.278 32 L C -0.416 176.518 176.870 0.106 0.000 1.005 32 L CA -0.868 54.104 54.840 0.219 0.000 0.818 32 L CB 1.965 44.206 42.059 0.304 0.000 1.259 32 L HN 0.055 nan 8.230 nan 0.000 0.418 33 A N 2.138 124.999 122.820 0.069 0.000 2.583 33 A HA 0.881 5.202 4.320 0.001 0.000 0.289 33 A C -1.189 176.391 177.584 -0.006 0.000 1.151 33 A CA -0.584 51.465 52.037 0.020 0.000 0.695 33 A CB 2.070 21.070 19.000 -0.001 0.000 1.290 33 A HN 0.521 nan 8.150 nan 0.000 0.419 34 V N -0.450 119.456 119.914 -0.013 0.000 2.555 34 V HA 0.708 4.828 4.120 0.001 0.000 0.302 34 V C -0.280 175.804 176.094 -0.017 0.000 1.038 34 V CA -0.929 61.355 62.300 -0.027 0.000 0.887 34 V CB 1.419 33.226 31.823 -0.027 0.000 0.991 34 V HN 0.880 nan 8.190 nan 0.000 0.434 35 N N 2.769 121.456 118.700 -0.022 0.000 2.503 35 N HA 0.296 5.036 4.740 0.001 0.000 0.267 35 N C -0.807 174.695 175.510 -0.013 0.000 1.214 35 N CA 0.069 53.112 53.050 -0.012 0.000 0.959 35 N CB 1.071 39.547 38.487 -0.018 0.000 1.142 35 N HN 1.055 nan 8.380 nan 0.000 0.455 36 D N 2.497 122.893 120.400 -0.007 0.000 2.319 36 D HA 0.234 4.874 4.640 0.001 0.000 0.237 36 D C -2.309 173.987 176.300 -0.007 0.000 1.353 36 D CA -1.359 52.636 54.000 -0.009 0.000 0.992 36 D CB 1.459 42.255 40.800 -0.007 0.000 1.368 36 D HN 0.273 nan 8.370 nan 0.000 0.564 37 P HA -0.018 nan 4.420 nan 0.000 0.226 37 P C 0.399 177.692 177.300 -0.011 0.000 1.146 37 P CA 0.597 63.690 63.100 -0.011 0.000 0.773 37 P CB 0.216 31.907 31.700 -0.016 0.000 0.772 38 A N -0.006 122.809 122.820 -0.010 0.000 3.260 38 A HA 0.315 4.635 4.320 0.001 0.000 0.268 38 A C 0.607 178.187 177.584 -0.008 0.000 1.491 38 A CA -0.118 51.913 52.037 -0.010 0.000 1.181 38 A CB -0.795 18.199 19.000 -0.010 0.000 1.137 38 A HN 0.132 nan 8.150 nan 0.000 0.642 39 V N -3.247 116.663 119.914 -0.006 0.000 2.872 39 V HA 0.196 4.316 4.120 0.001 0.000 0.367 39 V C 0.304 176.398 176.094 -0.000 0.000 1.343 39 V CA 0.005 62.303 62.300 -0.003 0.000 1.219 39 V CB -0.799 31.024 31.823 0.001 0.000 1.308 39 V HN 0.207 nan 8.190 nan 0.000 0.610 40 T N 2.452 117.003 114.554 -0.004 0.000 4.653 40 T HA 0.087 4.437 4.350 0.001 0.000 0.236 40 T C 0.320 175.021 174.700 0.001 0.000 0.740 40 T CA 1.179 63.277 62.100 -0.003 0.000 1.250 40 T CB -0.918 67.943 68.868 -0.012 0.000 1.403 40 T HN 0.811 nan 8.240 nan 0.000 0.813 41 Q N 0.158 119.961 119.800 0.006 0.000 4.082 41 Q HA 0.091 4.431 4.340 0.001 0.000 0.180 41 Q C 1.066 177.069 176.000 0.004 0.000 0.863 41 Q CA -0.222 55.585 55.803 0.005 0.000 0.772 41 Q CB 0.893 29.631 28.738 -0.000 0.000 1.527 41 Q HN 0.567 nan 8.270 nan 0.000 0.441 42 S N -0.326 115.384 115.700 0.015 0.000 2.465 42 S HA -0.166 4.304 4.470 0.001 0.000 0.241 42 S C 1.390 175.965 174.600 -0.041 0.000 1.000 42 S CA 0.816 59.020 58.200 0.007 0.000 0.964 42 S CB 0.026 63.262 63.200 0.061 0.000 0.763 42 S HN 0.404 nan 8.310 nan 0.000 0.512 43 K N 0.733 121.113 120.400 -0.034 0.000 2.280 43 K HA 0.023 4.344 4.320 0.001 0.000 0.202 43 K C 1.837 178.405 176.600 -0.054 0.000 1.047 43 K CA 0.883 57.139 56.287 -0.051 0.000 0.942 43 K CB -0.032 32.450 32.500 -0.029 0.000 0.739 43 K HN 0.160 nan 8.250 nan 0.000 0.457 44 K N -0.056 120.322 120.400 -0.038 0.000 2.296 44 K HA 0.011 4.332 4.320 0.001 0.000 0.200 44 K C 1.791 178.368 176.600 -0.039 0.000 1.048 44 K CA 0.703 56.970 56.287 -0.033 0.000 0.966 44 K CB -0.075 32.413 32.500 -0.020 0.000 0.754 44 K HN 0.152 nan 8.250 nan 0.000 0.466 45 C N -0.456 118.815 119.300 -0.049 0.000 2.480 45 C HA 0.399 4.859 4.460 0.001 0.000 0.304 45 C C 1.180 176.120 174.990 -0.084 0.000 1.399 45 C CA -0.477 58.511 59.018 -0.049 0.000 1.900 45 C CB 0.605 28.326 27.740 -0.032 0.000 2.194 45 C HN 0.257 nan 8.230 nan 0.000 0.550 46 I N 1.371 121.858 120.570 -0.138 0.000 2.730 46 I HA 0.543 4.713 4.170 0.001 0.000 0.298 46 I C -1.134 174.800 176.117 -0.305 0.000 1.089 46 I CA -0.873 60.287 61.300 -0.234 0.000 1.041 46 I CB 1.708 39.523 38.000 -0.309 0.000 1.235 46 I HN 0.324 nan 8.210 nan 0.000 0.423 47 I N 3.385 123.725 120.570 -0.382 0.000 2.750 47 I HA 0.815 4.985 4.170 0.001 0.000 0.308 47 I C -0.471 175.429 176.117 -0.362 0.000 1.016 47 I CA -0.249 60.835 61.300 -0.361 0.000 1.098 47 I CB 2.040 39.830 38.000 -0.350 0.000 1.279 47 I HN 0.598 nan 8.210 nan 0.000 0.454 48 S N 1.637 117.267 115.700 -0.116 0.000 2.705 48 S HA 0.462 4.932 4.470 0.001 0.000 0.280 48 S C -0.010 174.698 174.600 0.180 0.000 1.174 48 S CA -0.461 57.810 58.200 0.119 0.000 0.823 48 S CB 1.199 64.451 63.200 0.086 0.000 1.162 48 S HN 1.022 nan 8.310 nan 0.000 0.487 49 N N 0.338 119.177 118.700 0.232 0.000 2.708 49 N HA -0.142 4.598 4.740 0.001 0.000 0.249 49 N C -0.868 174.705 175.510 0.105 0.000 1.097 49 N CA 1.013 54.156 53.050 0.156 0.000 0.710 49 N CB -0.912 37.562 38.487 -0.021 0.000 1.032 49 N HN 0.604 nan 8.380 nan 0.000 0.551 50 K N 0.682 121.184 120.400 0.169 0.000 2.139 50 K HA 0.290 4.610 4.320 0.001 0.000 0.243 50 K C 0.578 177.216 176.600 0.063 0.000 0.983 50 K CA -0.624 55.739 56.287 0.127 0.000 0.890 50 K CB 0.666 33.302 32.500 0.227 0.000 1.090 50 K HN 0.400 nan 8.250 nan 0.000 0.445 51 K N -0.051 120.373 120.400 0.040 0.000 2.319 51 K HA 0.181 4.501 4.320 0.001 0.000 0.265 51 K C -0.293 176.293 176.600 -0.022 0.000 1.000 51 K CA -0.201 56.096 56.287 0.017 0.000 0.943 51 K CB 0.317 32.828 32.500 0.019 0.000 0.950 51 K HN 0.245 nan 8.250 nan 0.000 0.485 52 S N 2.281 117.969 115.700 -0.018 0.000 2.549 52 S HA 0.011 4.481 4.470 0.001 0.000 0.279 52 S C -0.109 174.462 174.600 -0.049 0.000 1.321 52 S CA -0.736 57.439 58.200 -0.041 0.000 1.054 52 S CB 0.751 63.949 63.200 -0.004 0.000 0.899 52 S HN 0.461 nan 8.310 nan 0.000 0.497 53 Q N 3.362 123.113 119.800 -0.082 0.000 2.313 53 Q HA 0.196 4.537 4.340 0.001 0.000 0.266 53 Q C -2.080 173.875 176.000 -0.075 0.000 0.989 53 Q CA -1.713 54.035 55.803 -0.092 0.000 0.890 53 Q CB 0.189 28.831 28.738 -0.159 0.000 1.200 53 Q HN 0.423 nan 8.270 nan 0.000 0.396 54 P HA -0.013 nan 4.420 nan 0.000 0.266 54 P C 0.490 177.761 177.300 -0.050 0.000 1.195 54 P CA 0.534 63.609 63.100 -0.042 0.000 0.768 54 P CB 0.487 32.166 31.700 -0.034 0.000 0.838 55 G N 2.149 110.930 108.800 -0.031 0.000 2.168 55 G HA2 -0.263 3.698 3.960 0.001 0.000 0.263 55 G HA3 -0.263 3.698 3.960 0.001 0.000 0.263 55 G C 0.530 175.416 174.900 -0.023 0.000 0.977 55 G CA 0.190 45.275 45.100 -0.026 0.000 0.659 55 G HN 0.523 nan 8.290 nan 0.000 0.533 56 L N -0.477 120.728 121.223 -0.031 0.000 2.653 56 L HA 0.459 4.800 4.340 0.001 0.000 0.231 56 L C 1.528 178.418 176.870 0.034 0.000 1.153 56 L CA 0.233 55.064 54.840 -0.014 0.000 0.933 56 L CB 0.077 42.090 42.059 -0.078 0.000 1.175 56 L HN 0.440 nan 8.230 nan 0.000 0.473 57 M N 1.348 120.967 119.600 0.032 0.000 2.573 57 M HA -0.189 4.291 4.480 0.001 0.000 0.184 57 M C 0.424 176.764 176.300 0.066 0.000 0.953 57 M CA 0.382 55.712 55.300 0.049 0.000 0.592 57 M CB -0.589 32.047 32.600 0.059 0.000 1.151 57 M HN 0.356 nan 8.290 nan 0.000 0.850 58 T N -0.046 114.545 114.554 0.062 0.000 2.813 58 T HA 0.426 4.777 4.350 0.001 0.000 0.297 58 T C 1.081 175.854 174.700 0.121 0.000 1.036 58 T CA -0.201 61.953 62.100 0.091 0.000 1.044 58 T CB 0.578 69.493 68.868 0.079 0.000 0.993 58 T HN 0.490 nan 8.240 nan 0.000 0.535 59 I N 1.146 121.825 120.570 0.183 0.000 3.968 59 I HA 0.195 4.365 4.170 0.001 0.000 0.328 59 I C 1.551 177.784 176.117 0.193 0.000 1.290 59 I CA -0.175 61.254 61.300 0.216 0.000 1.163 59 I CB -0.010 38.209 38.000 0.364 0.000 1.024 59 I HN 0.452 nan 8.210 nan 0.000 0.413 60 R N 1.261 121.874 120.500 0.188 0.000 2.784 60 R HA 0.242 4.582 4.340 0.001 0.000 0.266 60 R C 0.597 176.963 176.300 0.111 0.000 1.044 60 R CA 0.376 56.583 56.100 0.179 0.000 1.151 60 R CB 0.481 30.879 30.300 0.164 0.000 1.037 60 R HN 0.186 nan 8.270 nan 0.000 0.478 61 G N 0.033 108.883 108.800 0.083 0.000 2.990 61 G HA2 0.456 4.416 3.960 0.001 0.000 0.208 61 G HA3 0.456 4.416 3.960 0.001 0.000 0.208 61 G C -0.546 174.356 174.900 0.003 0.000 1.334 61 G CA -0.445 44.677 45.100 0.036 0.000 1.024 61 G HN 0.819 nan 8.290 nan 0.000 0.574 62 C N -3.339 115.957 119.300 -0.007 0.000 2.967 62 C HA 0.843 5.304 4.460 0.001 0.000 0.372 62 C C 2.028 176.972 174.990 -0.076 0.000 1.455 62 C CA 0.209 59.214 59.018 -0.021 0.000 1.638 62 C CB 1.245 29.002 27.740 0.027 0.000 2.096 62 C HN 1.029 nan 8.230 nan 0.000 0.466 63 A N -0.797 121.972 122.820 -0.085 0.000 2.015 63 A HA -0.029 4.292 4.320 0.001 0.000 0.219 63 A C 1.860 179.403 177.584 -0.069 0.000 1.163 63 A CA 1.686 53.648 52.037 -0.124 0.000 0.646 63 A CB -1.004 17.907 19.000 -0.148 0.000 0.806 63 A HN 1.140 nan 8.150 nan 0.000 0.448 64 Y N 0.714 120.941 120.300 -0.122 0.000 2.163 64 Y HA -0.059 4.491 4.550 0.001 0.000 0.288 64 Y C 2.545 178.407 175.900 -0.065 0.000 1.136 64 Y CA 1.212 59.259 58.100 -0.088 0.000 1.147 64 Y CB -0.564 37.852 38.460 -0.072 0.000 0.987 64 Y HN 0.285 nan 8.280 nan 0.000 0.509 65 A N 0.298 123.066 122.820 -0.086 0.000 1.908 65 A HA -0.114 4.206 4.320 0.001 0.000 0.218 65 A C 2.455 179.918 177.584 -0.200 0.000 1.181 65 A CA 1.775 53.715 52.037 -0.162 0.000 0.627 65 A CB -1.716 17.261 19.000 -0.038 0.000 0.818 65 A HN 0.613 nan 8.150 nan 0.000 0.445 66 G N -1.438 107.247 108.800 -0.193 0.000 2.422 66 G HA2 -0.069 3.891 3.960 0.001 0.000 0.218 66 G HA3 -0.069 3.891 3.960 0.001 0.000 0.218 66 G C 1.837 176.723 174.900 -0.023 0.000 1.140 66 G CA 1.497 46.508 45.100 -0.147 0.000 0.775 66 G HN 0.570 nan 8.290 nan 0.000 0.545 67 S N -0.867 114.774 115.700 -0.099 0.000 2.384 67 S HA 0.096 4.567 4.470 0.001 0.000 0.217 67 S C 2.231 176.786 174.600 -0.075 0.000 1.041 67 S CA 1.045 59.236 58.200 -0.015 0.000 0.948 67 S CB -0.163 63.038 63.200 0.000 0.000 0.872 67 S HN 0.133 nan 8.310 nan 0.000 0.512 68 K N 0.954 121.162 120.400 -0.320 0.000 1.991 68 K HA 0.044 4.364 4.320 0.001 0.000 0.207 68 K C 2.177 178.589 176.600 -0.314 0.000 1.045 68 K CA 1.554 57.613 56.287 -0.379 0.000 0.937 68 K CB -1.362 30.676 32.500 -0.769 0.000 0.720 68 K HN 0.417 nan 8.250 nan 0.000 0.438 69 G N 0.943 109.509 108.800 -0.390 0.000 2.553 69 G HA2 -0.265 3.695 3.960 0.001 0.000 0.218 69 G HA3 -0.265 3.695 3.960 0.001 0.000 0.218 69 G C 1.552 176.331 174.900 -0.200 0.000 1.195 69 G CA 1.967 46.926 45.100 -0.235 0.000 0.779 69 G HN 0.351 nan 8.290 nan 0.000 0.577 70 V N -1.924 117.851 119.914 -0.231 0.000 2.922 70 V HA 0.173 4.294 4.120 0.001 0.000 0.242 70 V C 2.520 178.371 176.094 -0.406 0.000 1.094 70 V CA 1.364 63.441 62.300 -0.372 0.000 1.106 70 V CB 0.010 31.561 31.823 -0.454 0.000 0.799 70 V HN 0.128 nan 8.190 nan 0.000 0.474 71 V N -0.568 119.202 119.914 -0.240 0.000 2.300 71 V HA 0.003 4.123 4.120 0.001 0.000 0.241 71 V C 2.259 178.163 176.094 -0.316 0.000 1.034 71 V CA 2.318 64.490 62.300 -0.214 0.000 1.021 71 V CB -0.780 30.925 31.823 -0.198 0.000 0.662 71 V HN 0.626 nan 8.190 nan 0.000 0.458 72 W N 0.764 121.900 121.300 -0.273 0.000 2.453 72 W HA 0.169 4.830 4.660 0.001 0.000 0.289 72 W C 2.538 178.595 176.519 -0.769 0.000 1.215 72 W CA 1.121 58.185 57.345 -0.468 0.000 1.297 72 W CB -0.965 28.204 29.460 -0.485 0.000 1.113 72 W HN 0.292 nan 8.180 nan 0.000 0.551 73 G N 1.242 109.847 108.800 -0.324 0.000 2.513 73 G HA2 -0.279 3.681 3.960 0.001 0.000 0.219 73 G HA3 -0.279 3.681 3.960 0.001 0.000 0.219 73 G C -0.804 174.049 174.900 -0.078 0.000 1.160 73 G CA 1.317 46.274 45.100 -0.238 0.000 0.767 73 G HN 0.141 nan 8.290 nan 0.000 0.571 74 P HA -0.016 nan 4.420 nan 0.000 0.219 74 P C 0.673 177.983 177.300 0.016 0.000 1.146 74 P CA 0.527 63.634 63.100 0.012 0.000 0.808 74 P CB -0.013 31.729 31.700 0.070 0.000 0.779 75 I N 1.191 121.779 120.570 0.031 0.000 2.573 75 I HA -0.086 4.084 4.170 0.001 0.000 0.295 75 I C 1.849 178.080 176.117 0.189 0.000 1.141 75 I CA 0.154 61.511 61.300 0.094 0.000 1.364 75 I CB 0.164 38.225 38.000 0.102 0.000 1.447 75 I HN 0.068 nan 8.210 nan 0.000 0.571 76 K N 4.520 124.935 120.400 0.025 0.000 2.063 76 K HA -0.209 4.111 4.320 0.001 0.000 0.208 76 K C 1.000 177.599 176.600 -0.002 0.000 1.048 76 K CA 1.753 57.987 56.287 -0.089 0.000 0.928 76 K CB -0.189 32.221 32.500 -0.149 0.000 0.713 76 K HN 0.627 nan 8.250 nan 0.000 0.442 77 D N 0.364 120.798 120.400 0.057 0.000 2.336 77 D HA 0.012 4.652 4.640 0.001 0.000 0.229 77 D C 0.453 176.855 176.300 0.170 0.000 1.061 77 D CA 0.316 54.391 54.000 0.124 0.000 0.875 77 D CB -0.060 40.792 40.800 0.086 0.000 0.904 77 D HN 0.286 nan 8.370 nan 0.000 0.525 78 M N 0.202 119.822 119.600 0.033 0.000 2.537 78 M HA 0.408 4.889 4.480 0.001 0.000 0.324 78 M C -0.332 175.581 176.300 -0.644 0.000 1.187 78 M CA -0.902 54.260 55.300 -0.229 0.000 0.993 78 M CB 2.805 35.325 32.600 -0.134 0.000 1.666 78 M HN -0.269 nan 8.290 nan 0.000 0.461 79 I N 2.801 122.864 120.570 -0.844 0.000 2.304 79 I HA 0.191 4.362 4.170 0.001 0.000 0.291 79 I C -0.549 175.007 176.117 -0.935 0.000 1.018 79 I CA -0.544 60.058 61.300 -1.163 0.000 1.260 79 I CB 0.414 37.529 38.000 -1.474 0.000 1.390 79 I HN 0.495 nan 8.210 nan 0.000 0.475 80 H N 7.648 126.500 119.070 -0.364 0.000 2.519 80 H HA 0.457 5.014 4.556 0.001 0.000 0.316 80 H C -0.365 174.876 175.328 -0.146 0.000 1.065 80 H CA -0.563 55.354 56.048 -0.219 0.000 1.264 80 H CB 1.444 31.159 29.762 -0.078 0.000 1.413 80 H HN 0.417 nan 8.280 nan 0.000 0.465 81 I N 2.316 122.842 120.570 -0.074 0.000 2.312 81 I HA 0.066 4.237 4.170 0.001 0.000 0.290 81 I C 0.250 176.406 176.117 0.065 0.000 1.008 81 I CA -0.363 60.935 61.300 -0.004 0.000 1.226 81 I CB 1.061 38.998 38.000 -0.105 0.000 1.371 81 I HN 0.352 nan 8.210 nan 0.000 0.468 82 S N 4.846 120.631 115.700 0.141 0.000 2.405 82 S HA 0.090 4.561 4.470 0.001 0.000 0.291 82 S C -0.195 174.464 174.600 0.098 0.000 1.137 82 S CA -0.212 58.088 58.200 0.166 0.000 1.061 82 S CB -0.466 62.845 63.200 0.186 0.000 1.001 82 S HN 0.394 nan 8.310 nan 0.000 0.507 83 H N 2.517 121.541 119.070 -0.076 0.000 2.705 83 H HA 0.606 5.162 4.556 0.001 0.000 0.291 83 H C 0.531 175.653 175.328 -0.344 0.000 1.085 83 H CA 0.968 56.920 56.048 -0.159 0.000 1.357 83 H CB -0.184 29.492 29.762 -0.144 0.000 1.419 83 H HN 0.817 nan 8.280 nan 0.000 0.462 84 G N 4.160 112.633 108.800 -0.545 0.000 2.320 84 G HA2 -0.034 3.926 3.960 0.001 0.000 0.274 84 G HA3 -0.034 3.926 3.960 0.001 0.000 0.274 84 G C -2.951 171.769 174.900 -0.300 0.000 1.324 84 G CA -0.984 43.632 45.100 -0.807 0.000 0.957 84 G HN 0.477 nan 8.290 nan 0.000 0.481 85 P HA 0.286 nan 4.420 nan 0.000 0.271 85 P C 1.287 178.549 177.300 -0.062 0.000 1.244 85 P CA -0.037 63.051 63.100 -0.021 0.000 0.793 85 P CB 0.978 32.669 31.700 -0.015 0.000 0.984 86 V N 1.679 121.569 119.914 -0.039 0.000 2.469 86 V HA -0.199 3.921 4.120 0.001 0.000 0.251 86 V C 2.019 178.003 176.094 -0.183 0.000 1.064 86 V CA 2.830 65.079 62.300 -0.085 0.000 1.066 86 V CB -1.573 30.210 31.823 -0.068 0.000 0.667 86 V HN 0.772 nan 8.190 nan 0.000 0.461 87 G N -0.415 108.281 108.800 -0.172 0.000 2.838 87 G HA2 -0.384 3.576 3.960 0.001 0.000 0.215 87 G HA3 -0.384 3.576 3.960 0.001 0.000 0.215 87 G C 1.725 176.423 174.900 -0.337 0.000 1.327 87 G CA 1.701 46.645 45.100 -0.260 0.000 0.802 87 G HN 0.585 nan 8.290 nan 0.000 0.658 88 C N 0.891 120.100 119.300 -0.152 0.000 2.326 88 C HA -0.162 4.299 4.460 0.001 0.000 0.269 88 C C 3.221 178.208 174.990 -0.005 0.000 1.140 88 C CA 1.121 60.039 59.018 -0.168 0.000 1.798 88 C CB -1.647 25.590 27.740 -0.839 0.000 2.053 88 C HN 0.650 nan 8.230 nan 0.000 0.438 89 G N -0.645 108.122 108.800 -0.055 0.000 2.491 89 G HA2 -0.270 3.690 3.960 0.001 0.000 0.218 89 G HA3 -0.270 3.690 3.960 0.001 0.000 0.218 89 G C 1.558 176.441 174.900 -0.028 0.000 1.180 89 G CA 1.264 46.395 45.100 0.050 0.000 0.774 89 G HN 0.604 nan 8.290 nan 0.000 0.562 90 Q N 0.056 119.732 119.800 -0.206 0.000 2.030 90 Q HA -0.127 4.213 4.340 0.001 0.000 0.204 90 Q C 2.439 178.349 176.000 -0.151 0.000 0.986 90 Q CA 1.565 57.216 55.803 -0.254 0.000 0.843 90 Q CB -0.661 27.800 28.738 -0.462 0.000 0.904 90 Q HN 0.783 nan 8.270 nan 0.000 0.420 91 Y N 0.588 120.921 120.300 0.055 0.000 2.274 91 Y HA -0.173 4.378 4.550 0.001 0.000 0.290 91 Y C 2.547 178.494 175.900 0.078 0.000 1.145 91 Y CA 1.018 59.154 58.100 0.060 0.000 1.203 91 Y CB -0.165 38.327 38.460 0.054 0.000 0.984 91 Y HN 0.186 nan 8.280 nan 0.000 0.533 92 S N 0.244 116.079 115.700 0.225 0.000 2.558 92 S HA 0.008 4.478 4.470 0.001 0.000 0.217 92 S C 0.829 175.498 174.600 0.115 0.000 0.975 92 S CA -0.521 57.781 58.200 0.170 0.000 0.912 92 S CB -0.288 63.029 63.200 0.195 0.000 0.776 92 S HN 0.273 nan 8.310 nan 0.000 0.526 93 R N 1.842 122.400 120.500 0.096 0.000 2.404 93 R HA 0.381 4.721 4.340 0.001 0.000 0.315 93 R C 0.873 177.223 176.300 0.083 0.000 1.032 93 R CA 0.748 56.894 56.100 0.075 0.000 0.992 93 R CB -0.528 29.796 30.300 0.039 0.000 0.959 93 R HN 0.429 nan 8.270 nan 0.000 0.428 94 A N 3.114 125.990 122.820 0.094 0.000 2.790 94 A HA -0.230 4.091 4.320 0.001 0.000 0.277 94 A C 1.314 178.966 177.584 0.113 0.000 1.435 94 A CA 1.331 53.434 52.037 0.111 0.000 0.877 94 A CB -2.126 16.937 19.000 0.105 0.000 1.007 94 A HN 1.005 nan 8.150 nan 0.000 0.613 95 G N -1.196 107.666 108.800 0.103 0.000 2.430 95 G HA2 0.158 4.118 3.960 0.001 0.000 0.216 95 G HA3 0.158 4.118 3.960 0.001 0.000 0.216 95 G C 0.744 175.703 174.900 0.098 0.000 1.146 95 G CA 0.839 46.003 45.100 0.106 0.000 0.793 95 G HN 0.753 nan 8.290 nan 0.000 0.537 96 R N 0.447 120.990 120.500 0.072 0.000 2.368 96 R HA 0.352 4.692 4.340 0.001 0.000 0.302 96 R C 0.180 176.528 176.300 0.080 0.000 1.002 96 R CA -0.663 55.461 56.100 0.040 0.000 0.929 96 R CB 0.606 30.899 30.300 -0.010 0.000 1.073 96 R HN -0.003 nan 8.270 nan 0.000 0.464 97 R N 3.396 123.926 120.500 0.049 0.000 4.464 97 R HA 0.037 4.377 4.340 0.001 0.000 0.229 97 R C -0.407 175.933 176.300 0.067 0.000 1.916 97 R CA -0.077 56.085 56.100 0.103 0.000 1.601 97 R CB -0.484 29.812 30.300 -0.005 0.000 1.315 97 R HN 0.556 nan 8.270 nan 0.000 0.725 98 N N 1.137 119.918 118.700 0.134 0.000 2.508 98 N HA -0.027 4.713 4.740 0.001 0.000 0.253 98 N C -0.479 175.214 175.510 0.306 0.000 1.145 98 N CA -0.034 53.093 53.050 0.128 0.000 0.973 98 N CB 0.250 38.800 38.487 0.105 0.000 1.305 98 N HN 0.223 nan 8.380 nan 0.000 0.506 99 Y N 1.956 122.223 120.300 -0.056 0.000 2.578 99 Y HA -0.022 4.528 4.550 0.001 0.000 0.339 99 Y C 0.317 176.212 175.900 -0.008 0.000 1.231 99 Y CA -0.658 57.386 58.100 -0.094 0.000 1.461 99 Y CB 0.418 38.671 38.460 -0.345 0.000 1.323 99 Y HN 0.536 nan 8.280 nan 0.000 0.590 100 Y N 0.159 120.538 120.300 0.132 0.000 2.638 100 Y HA 0.646 5.196 4.550 0.000 0.000 0.335 100 Y C -1.881 174.223 175.900 0.340 0.000 1.155 100 Y CA -1.731 56.533 58.100 0.273 0.000 1.046 100 Y CB 0.904 39.456 38.460 0.153 0.000 1.303 100 Y HN 0.180 nan 8.280 nan 0.000 0.460 101 I N 2.206 123.026 120.570 0.417 0.000 2.404 101 I HA 0.841 5.011 4.170 0.001 0.000 0.293 101 I C 0.300 176.559 176.117 0.236 0.000 0.992 101 I CA -0.288 61.116 61.300 0.173 0.000 1.149 101 I CB 0.842 38.908 38.000 0.111 0.000 1.315 101 I HN 0.995 nan 8.210 nan 0.000 0.446 102 G N 3.735 112.610 108.800 0.126 0.000 2.340 102 G HA2 0.242 4.202 3.960 0.001 0.000 0.298 102 G HA3 0.242 4.202 3.960 0.001 0.000 0.298 102 G C -1.355 173.592 174.900 0.079 0.000 1.498 102 G CA -0.678 44.512 45.100 0.150 0.000 0.847 102 G HN 0.367 nan 8.290 nan 0.000 0.594 103 T N 2.147 116.717 114.554 0.027 0.000 2.891 103 T HA 0.495 4.845 4.350 0.001 0.000 0.315 103 T C 0.507 175.187 174.700 -0.033 0.000 1.054 103 T CA -0.083 62.019 62.100 0.003 0.000 0.958 103 T CB 0.551 69.417 68.868 -0.004 0.000 1.008 103 T HN 0.610 nan 8.240 nan 0.000 0.521 104 T N 2.736 117.302 114.554 0.021 0.000 2.902 104 T HA 0.406 4.756 4.350 0.001 0.000 0.301 104 T C 1.571 176.275 174.700 0.006 0.000 1.012 104 T CA 0.684 62.787 62.100 0.005 0.000 1.151 104 T CB 0.572 69.514 68.868 0.124 0.000 0.946 104 T HN 0.911 nan 8.240 nan 0.000 0.542 105 G N 1.899 110.681 108.800 -0.029 0.000 2.241 105 G HA2 -0.280 3.680 3.960 0.001 0.000 0.244 105 G HA3 -0.280 3.680 3.960 0.001 0.000 0.244 105 G C 0.706 175.795 174.900 0.314 0.000 0.998 105 G CA 0.265 45.513 45.100 0.248 0.000 0.621 105 G HN 0.622 nan 8.290 nan 0.000 0.519 106 V N 0.756 120.687 119.914 0.028 0.000 2.870 106 V HA 0.184 4.304 4.120 0.001 0.000 0.232 106 V C 1.971 178.043 176.094 -0.037 0.000 1.161 106 V CA 2.282 64.636 62.300 0.091 0.000 1.204 106 V CB 0.204 32.060 31.823 0.055 0.000 1.003 106 V HN 0.651 nan 8.190 nan 0.000 0.499 107 N N 0.305 118.852 118.700 -0.256 0.000 2.273 107 N HA 0.379 5.119 4.740 0.001 0.000 0.192 107 N C 0.184 175.307 175.510 -0.646 0.000 1.132 107 N CA 0.609 53.502 53.050 -0.262 0.000 0.887 107 N CB 0.632 39.081 38.487 -0.065 0.000 1.048 107 N HN 0.430 nan 8.380 nan 0.000 0.490 108 A N -0.196 122.121 122.820 -0.838 0.000 2.337 108 A HA 0.700 5.021 4.320 0.001 0.000 0.331 108 A C -1.141 175.776 177.584 -1.112 0.000 1.137 108 A CA -0.699 50.905 52.037 -0.722 0.000 0.807 108 A CB 0.687 19.603 19.000 -0.140 0.000 1.250 108 A HN 0.302 nan 8.150 nan 0.000 0.468 109 F N 0.991 120.873 119.950 -0.113 0.000 2.944 109 F HA 0.147 4.674 4.527 0.001 0.000 0.332 109 F C 1.263 177.037 175.800 -0.044 0.000 1.215 109 F CA -0.151 57.828 58.000 -0.036 0.000 1.079 109 F CB -0.074 38.899 39.000 -0.044 0.000 1.272 109 F HN 0.307 nan 8.300 nan 0.000 0.509 110 V N 0.347 120.178 119.914 -0.138 0.000 2.255 110 V HA -0.303 3.817 4.120 0.001 0.000 0.247 110 V C 2.523 178.662 176.094 0.075 0.000 1.051 110 V CA 2.896 65.134 62.300 -0.104 0.000 1.018 110 V CB -1.042 30.492 31.823 -0.482 0.000 0.641 110 V HN 0.591 nan 8.190 nan 0.000 0.445 111 T N -2.578 112.056 114.554 0.134 0.000 3.113 111 T HA 0.109 4.459 4.350 0.001 0.000 0.263 111 T C 0.617 175.373 174.700 0.094 0.000 1.143 111 T CA 0.368 62.558 62.100 0.151 0.000 1.090 111 T CB -0.365 68.615 68.868 0.187 0.000 0.922 111 T HN 0.318 nan 8.240 nan 0.000 0.521 112 M N 2.051 121.704 119.600 0.087 0.000 2.288 112 M HA 0.296 4.777 4.480 0.001 0.000 0.334 112 M C 0.248 176.516 176.300 -0.054 0.000 1.150 112 M CA -0.407 54.871 55.300 -0.036 0.000 1.118 112 M CB 0.907 33.435 32.600 -0.121 0.000 1.501 112 M HN 0.146 nan 8.290 nan 0.000 0.462 113 N N 1.685 120.265 118.700 -0.200 0.000 2.479 113 N HA 0.411 5.152 4.740 0.001 0.000 0.261 113 N C -1.998 173.362 175.510 -0.250 0.000 0.979 113 N CA -0.378 52.609 53.050 -0.105 0.000 0.930 113 N CB 0.849 39.302 38.487 -0.057 0.000 1.172 113 N HN 0.377 nan 8.380 nan 0.000 0.499 114 F N 1.857 121.781 119.950 -0.042 0.000 2.415 114 F HA 0.394 4.921 4.527 0.001 0.000 0.348 114 F C 0.622 176.412 175.800 -0.016 0.000 1.119 114 F CA -0.263 57.702 58.000 -0.059 0.000 1.069 114 F CB 1.859 40.774 39.000 -0.141 0.000 1.124 114 F HN 0.244 nan 8.300 nan 0.000 0.472 115 T N -2.227 112.413 114.554 0.143 0.000 2.864 115 T HA 0.337 4.687 4.350 0.001 0.000 0.299 115 T C 0.361 175.144 174.700 0.139 0.000 1.166 115 T CA -0.665 61.503 62.100 0.115 0.000 1.007 115 T CB 1.564 70.466 68.868 0.056 0.000 1.219 115 T HN 0.445 nan 8.240 nan 0.000 0.506 116 S N -0.748 115.062 115.700 0.184 0.000 2.535 116 S HA 0.155 4.626 4.470 0.001 0.000 0.214 116 S C 0.518 175.284 174.600 0.276 0.000 0.980 116 S CA 0.402 58.762 58.200 0.267 0.000 0.907 116 S CB -0.687 62.801 63.200 0.480 0.000 0.790 116 S HN 0.925 nan 8.310 nan 0.000 0.510 117 D N 1.262 121.779 120.400 0.195 0.000 2.971 117 D HA -0.215 4.425 4.640 0.001 0.000 0.212 117 D C -0.754 175.686 176.300 0.233 0.000 1.243 117 D CA 0.357 54.449 54.000 0.154 0.000 0.781 117 D CB -1.977 38.871 40.800 0.080 0.000 0.894 117 D HN 0.543 nan 8.370 nan 0.000 0.392 118 F N 1.043 120.980 119.950 -0.022 0.000 2.602 118 F HA 0.073 4.600 4.527 0.001 0.000 0.367 118 F C 1.716 177.506 175.800 -0.018 0.000 1.126 118 F CA 0.100 58.086 58.000 -0.024 0.000 1.321 118 F CB 0.517 39.482 39.000 -0.058 0.000 1.094 118 F HN 0.172 nan 8.300 nan 0.000 0.594 119 Q N 2.019 121.822 119.800 0.005 0.000 2.572 119 Q HA 0.185 4.525 4.340 0.001 0.000 0.284 119 Q C 0.912 176.894 176.000 -0.030 0.000 1.091 119 Q CA -0.750 55.051 55.803 -0.004 0.000 0.840 119 Q CB 0.971 29.692 28.738 -0.029 0.000 1.433 119 Q HN 0.601 nan 8.270 nan 0.000 0.471 120 E N 1.013 121.203 120.200 -0.017 0.000 2.070 120 E HA -0.228 4.123 4.350 0.001 0.000 0.197 120 E C 1.522 178.084 176.600 -0.063 0.000 1.004 120 E CA 1.792 58.174 56.400 -0.030 0.000 0.805 120 E CB 0.109 29.792 29.700 -0.027 0.000 0.744 120 E HN 0.538 nan 8.360 nan 0.000 0.451 121 K N 0.640 121.022 120.400 -0.030 0.000 2.283 121 K HA -0.116 4.205 4.320 0.001 0.000 0.202 121 K C 1.206 177.823 176.600 0.027 0.000 1.048 121 K CA 1.540 57.864 56.287 0.062 0.000 0.948 121 K CB 0.079 32.708 32.500 0.214 0.000 0.742 121 K HN -0.068 nan 8.250 nan 0.000 0.458 122 D N 0.915 121.195 120.400 -0.200 0.000 2.323 122 D HA -0.006 4.634 4.640 0.001 0.000 0.209 122 D C 1.827 177.926 176.300 -0.334 0.000 0.973 122 D CA 0.532 54.236 54.000 -0.494 0.000 0.874 122 D CB 0.144 40.159 40.800 -1.308 0.000 0.930 122 D HN 0.206 nan 8.370 nan 0.000 0.521 123 I N 0.542 121.040 120.570 -0.121 0.000 2.339 123 I HA -0.122 4.048 4.170 0.001 0.000 0.245 123 I C 2.416 178.507 176.117 -0.043 0.000 1.096 123 I CA 0.591 61.919 61.300 0.046 0.000 1.408 123 I CB -0.737 37.298 38.000 0.057 0.000 1.092 123 I HN -0.117 nan 8.210 nan 0.000 0.423 124 V N 0.406 120.222 119.914 -0.163 0.000 2.379 124 V HA -0.210 3.910 4.120 0.001 0.000 0.245 124 V C 2.121 177.993 176.094 -0.372 0.000 1.044 124 V CA 1.717 63.819 62.300 -0.329 0.000 1.036 124 V CB -0.631 30.856 31.823 -0.560 0.000 0.664 124 V HN 0.173 nan 8.190 nan 0.000 0.453 125 F N 0.297 120.218 119.950 -0.049 0.000 2.754 125 F HA 0.541 5.068 4.527 0.001 0.000 0.297 125 F C 1.374 177.154 175.800 -0.032 0.000 1.122 125 F CA 0.452 58.426 58.000 -0.043 0.000 1.400 125 F CB -0.305 38.660 39.000 -0.059 0.000 1.117 125 F HN 0.271 nan 8.300 nan 0.000 0.587 126 G N -0.169 108.696 108.800 0.108 0.000 2.690 126 G HA2 0.154 4.115 3.960 0.001 0.000 0.686 126 G HA3 0.154 4.115 3.960 0.001 0.000 0.686 126 G C 0.406 175.350 174.900 0.073 0.000 1.277 126 G CA -0.588 44.576 45.100 0.107 0.000 0.799 126 G HN 0.562 nan 8.290 nan 0.000 0.613 127 G N -0.716 108.184 108.800 0.166 0.000 3.863 127 G HA2 0.455 4.416 3.960 0.001 0.000 0.290 127 G HA3 0.455 4.416 3.960 0.001 0.000 0.290 127 G C 0.632 175.667 174.900 0.225 0.000 1.018 127 G CA 1.103 46.304 45.100 0.168 0.000 0.824 127 G HN 0.574 nan 8.290 nan 0.000 0.507 128 D N 1.063 121.556 120.400 0.156 0.000 2.178 128 D HA -0.035 4.606 4.640 0.001 0.000 0.202 128 D C 2.270 178.601 176.300 0.052 0.000 0.974 128 D CA 0.848 54.909 54.000 0.102 0.000 0.841 128 D CB 0.282 41.125 40.800 0.072 0.000 0.953 128 D HN 0.305 nan 8.370 nan 0.000 0.478 129 K N 0.239 120.662 120.400 0.039 0.000 2.167 129 K HA -0.031 4.289 4.320 0.001 0.000 0.203 129 K C 1.998 178.603 176.600 0.008 0.000 1.052 129 K CA 0.483 56.776 56.287 0.010 0.000 0.956 129 K CB 0.179 32.674 32.500 -0.007 0.000 0.735 129 K HN -0.007 nan 8.250 nan 0.000 0.451 130 K N 1.408 121.823 120.400 0.024 0.000 2.103 130 K HA -0.036 4.285 4.320 0.001 0.000 0.204 130 K C 2.074 178.702 176.600 0.047 0.000 1.052 130 K CA 0.617 56.921 56.287 0.028 0.000 0.945 130 K CB 0.077 32.590 32.500 0.021 0.000 0.722 130 K HN 0.070 nan 8.250 nan 0.000 0.443 131 L N 0.581 121.841 121.223 0.060 0.000 2.046 131 L HA -0.146 4.195 4.340 0.001 0.000 0.208 131 L C 2.359 179.194 176.870 -0.059 0.000 1.077 131 L CA 1.574 56.395 54.840 -0.031 0.000 0.747 131 L CB -0.508 41.474 42.059 -0.128 0.000 0.896 131 L HN 0.308 nan 8.230 nan 0.000 0.432 132 A N -0.587 122.211 122.820 -0.037 0.000 1.933 132 A HA -0.215 4.105 4.320 0.001 0.000 0.218 132 A C 2.315 179.880 177.584 -0.032 0.000 1.175 132 A CA 1.406 53.418 52.037 -0.041 0.000 0.628 132 A CB -0.395 18.589 19.000 -0.027 0.000 0.814 132 A HN 0.223 nan 8.150 nan 0.000 0.444 133 K N -0.272 120.117 120.400 -0.018 0.000 2.057 133 K HA -0.065 4.255 4.320 0.001 0.000 0.206 133 K C 1.983 178.578 176.600 -0.008 0.000 1.050 133 K CA 1.455 57.734 56.287 -0.013 0.000 0.935 133 K CB -0.614 31.881 32.500 -0.008 0.000 0.715 133 K HN 0.539 nan 8.250 nan 0.000 0.439 134 L N 0.850 122.071 121.223 -0.003 0.000 2.012 134 L HA -0.154 4.186 4.340 0.001 0.000 0.210 134 L C 2.215 179.076 176.870 -0.014 0.000 1.073 134 L CA 1.304 56.149 54.840 0.009 0.000 0.748 134 L CB -0.208 41.860 42.059 0.016 0.000 0.891 134 L HN 0.090 nan 8.230 nan 0.000 0.431 135 I N 0.031 120.570 120.570 -0.052 0.000 2.335 135 I HA -0.294 3.876 4.170 0.001 0.000 0.251 135 I C 1.780 177.867 176.117 -0.049 0.000 1.129 135 I CA 1.240 62.493 61.300 -0.077 0.000 1.402 135 I CB -0.473 37.466 38.000 -0.102 0.000 1.069 135 I HN 0.348 nan 8.210 nan 0.000 0.424 136 D N 0.481 120.862 120.400 -0.032 0.000 2.277 136 D HA -0.114 4.526 4.640 0.001 0.000 0.208 136 D C 2.051 178.344 176.300 -0.011 0.000 0.962 136 D CA 0.889 54.875 54.000 -0.023 0.000 0.865 136 D CB 0.029 40.817 40.800 -0.020 0.000 0.939 136 D HN 0.422 nan 8.370 nan 0.000 0.510 137 E N 0.068 120.270 120.200 0.004 0.000 2.112 137 E HA -0.085 4.266 4.350 0.001 0.000 0.190 137 E C 2.237 178.873 176.600 0.061 0.000 0.979 137 E CA 0.521 56.934 56.400 0.022 0.000 0.814 137 E CB 0.266 29.990 29.700 0.040 0.000 0.762 137 E HN 0.190 nan 8.360 nan 0.000 0.460 138 V N -0.396 119.574 119.914 0.092 0.000 2.970 138 V HA -0.073 4.047 4.120 0.001 0.000 0.260 138 V C 1.825 177.993 176.094 0.123 0.000 1.100 138 V CA 1.352 63.779 62.300 0.211 0.000 1.122 138 V CB 0.036 31.859 31.823 -0.001 0.000 0.721 138 V HN 0.049 nan 8.190 nan 0.000 0.483 139 E N 1.524 121.736 120.200 0.021 0.000 2.170 139 E HA -0.064 4.287 4.350 0.001 0.000 0.191 139 E C 2.392 178.989 176.600 -0.004 0.000 0.981 139 E CA 1.739 58.139 56.400 0.001 0.000 0.830 139 E CB -0.068 29.620 29.700 -0.020 0.000 0.775 139 E HN 0.919 nan 8.360 nan 0.000 0.470 140 T N -1.040 113.498 114.554 -0.026 0.000 2.978 140 T HA -0.032 4.318 4.350 0.001 0.000 0.262 140 T C 1.841 176.476 174.700 -0.108 0.000 1.063 140 T CA 0.346 62.416 62.100 -0.050 0.000 1.140 140 T CB -0.035 68.804 68.868 -0.049 0.000 0.886 140 T HN -0.045 nan 8.240 nan 0.000 0.470 141 L N -0.427 120.677 121.223 -0.199 0.000 2.307 141 L HA 0.438 4.779 4.340 0.001 0.000 0.211 141 L C 0.154 176.618 176.870 -0.677 0.000 1.099 141 L CA 0.752 55.295 54.840 -0.494 0.000 0.816 141 L CB -0.322 41.294 42.059 -0.738 0.000 0.952 141 L HN 0.298 nan 8.230 nan 0.000 0.455 142 F N -0.979 118.995 119.950 0.041 0.000 2.564 142 F HA 0.326 4.853 4.527 0.000 0.000 0.329 142 F C -1.577 174.244 175.800 0.034 0.000 1.458 142 F CA -1.485 56.559 58.000 0.073 0.000 1.117 142 F CB 0.328 39.302 39.000 -0.043 0.000 1.383 142 F HN -0.072 nan 8.300 nan 0.000 0.571 143 P HA -0.177 nan 4.420 nan 0.000 0.218 143 P C 1.345 178.716 177.300 0.118 0.000 1.146 143 P CA 1.125 64.280 63.100 0.092 0.000 0.813 143 P CB 0.314 32.048 31.700 0.057 0.000 0.778 144 L N -0.636 120.704 121.223 0.194 0.000 2.612 144 L HA 0.095 4.435 4.340 0.001 0.000 0.230 144 L C 1.123 178.140 176.870 0.245 0.000 1.140 144 L CA 0.049 55.005 54.840 0.194 0.000 0.896 144 L CB -1.504 40.666 42.059 0.185 0.000 1.065 144 L HN 0.084 nan 8.230 nan 0.000 0.447 145 N N 0.262 119.097 118.700 0.225 0.000 2.453 145 N HA -0.052 4.688 4.740 0.001 0.000 0.253 145 N C 0.110 175.658 175.510 0.063 0.000 1.252 145 N CA 0.137 53.269 53.050 0.137 0.000 0.917 145 N CB 0.803 39.127 38.487 -0.273 0.000 1.117 145 N HN 0.128 nan 8.380 nan 0.000 0.442 146 K N 0.099 120.531 120.400 0.053 0.000 2.537 146 K HA 0.301 4.622 4.320 0.001 0.000 0.206 146 K C -0.089 176.510 176.600 -0.002 0.000 1.041 146 K CA -0.426 55.880 56.287 0.032 0.000 1.090 146 K CB 0.607 33.141 32.500 0.057 0.000 0.833 146 K HN 0.838 nan 8.250 nan 0.000 0.493 147 G N 0.819 109.581 108.800 -0.064 0.000 2.339 147 G HA2 0.255 4.215 3.960 0.001 0.000 0.302 147 G HA3 0.255 4.215 3.960 0.001 0.000 0.302 147 G C -1.868 172.910 174.900 -0.203 0.000 1.425 147 G CA -0.969 44.079 45.100 -0.087 0.000 0.899 147 G HN 0.036 nan 8.290 nan 0.000 0.619 148 I N 0.799 121.237 120.570 -0.221 0.000 2.656 148 I HA 0.588 4.759 4.170 0.001 0.000 0.292 148 I C 0.171 176.090 176.117 -0.331 0.000 1.144 148 I CA -0.906 60.200 61.300 -0.324 0.000 1.038 148 I CB 2.561 40.369 38.000 -0.321 0.000 1.244 148 I HN 0.786 nan 8.210 nan 0.000 0.420 149 S N 4.524 120.014 115.700 -0.350 0.000 2.568 149 S HA 0.797 5.268 4.470 0.001 0.000 0.302 149 S C -0.941 173.413 174.600 -0.409 0.000 1.082 149 S CA -0.696 57.203 58.200 -0.503 0.000 1.009 149 S CB 2.250 65.028 63.200 -0.704 0.000 1.069 149 S HN 0.286 nan 8.310 nan 0.000 0.500 150 V N 2.388 122.027 119.914 -0.458 0.000 2.325 150 V HA 0.398 4.518 4.120 0.001 0.000 0.280 150 V C -0.712 175.223 176.094 -0.265 0.000 1.016 150 V CA -0.426 61.673 62.300 -0.334 0.000 0.818 150 V CB 0.947 32.545 31.823 -0.374 0.000 1.019 150 V HN 0.934 nan 8.190 nan 0.000 0.434 151 Q N 2.834 122.549 119.800 -0.141 0.000 2.377 151 Q HA 0.386 4.726 4.340 0.001 0.000 0.249 151 Q C 0.198 176.235 176.000 0.062 0.000 1.005 151 Q CA 0.191 55.965 55.803 -0.048 0.000 0.912 151 Q CB 1.078 29.829 28.738 0.020 0.000 1.223 151 Q HN 0.786 nan 8.270 nan 0.000 0.459 152 S N 2.835 118.538 115.700 0.005 0.000 2.549 152 S HA 0.107 4.578 4.470 0.001 0.000 0.283 152 S C -0.079 174.487 174.600 -0.056 0.000 1.320 152 S CA -0.249 57.934 58.200 -0.028 0.000 1.058 152 S CB 0.508 63.670 63.200 -0.064 0.000 0.882 152 S HN 0.508 nan 8.310 nan 0.000 0.498 153 E N 0.650 120.738 120.200 -0.186 0.000 2.259 153 E HA 0.283 4.633 4.350 0.001 0.000 0.257 153 E C 0.788 177.284 176.600 -0.174 0.000 0.998 153 E CA -0.949 55.298 56.400 -0.255 0.000 0.866 153 E CB 0.686 30.155 29.700 -0.385 0.000 1.220 153 E HN 0.606 nan 8.360 nan 0.000 0.415 154 C N 1.122 120.369 119.300 -0.089 0.000 2.336 154 C HA -0.186 4.275 4.460 0.001 0.000 0.275 154 C C -0.453 174.605 174.990 0.113 0.000 1.175 154 C CA 1.145 60.237 59.018 0.123 0.000 1.771 154 C CB -1.888 25.946 27.740 0.157 0.000 2.030 154 C HN 0.734 nan 8.230 nan 0.000 0.442 155 P HA -0.142 nan 4.420 nan 0.000 0.217 155 P C 1.488 178.741 177.300 -0.079 0.000 1.158 155 P CA 1.579 64.632 63.100 -0.077 0.000 0.887 155 P CB -0.320 31.289 31.700 -0.152 0.000 0.792 156 I N -1.065 119.380 120.570 -0.208 0.000 2.315 156 I HA -0.169 4.002 4.170 0.001 0.000 0.251 156 I C 2.328 178.440 176.117 -0.008 0.000 1.125 156 I CA 2.183 63.380 61.300 -0.172 0.000 1.392 156 I CB -2.233 35.592 38.000 -0.291 0.000 1.065 156 I HN 0.049 nan 8.210 nan 0.000 0.424 157 G N 0.427 109.277 108.800 0.083 0.000 2.511 157 G HA2 -0.009 3.951 3.960 0.001 0.000 0.217 157 G HA3 -0.009 3.951 3.960 0.001 0.000 0.217 157 G C 1.790 176.822 174.900 0.220 0.000 1.133 157 G CA 0.100 45.326 45.100 0.210 0.000 0.792 157 G HN 0.338 nan 8.290 nan 0.000 0.539 158 L N -0.498 120.794 121.223 0.115 0.000 2.168 158 L HA 0.244 4.584 4.340 0.001 0.000 0.203 158 L C 2.360 179.231 176.870 0.002 0.000 1.078 158 L CA 0.115 54.949 54.840 -0.009 0.000 0.780 158 L CB -0.171 41.829 42.059 -0.098 0.000 0.939 158 L HN 0.026 nan 8.230 nan 0.000 0.451 159 I N 0.682 121.263 120.570 0.019 0.000 3.001 159 I HA -0.021 4.149 4.170 0.001 0.000 0.268 159 I C 1.412 177.553 176.117 0.040 0.000 1.267 159 I CA 0.639 61.956 61.300 0.029 0.000 1.472 159 I CB -0.733 37.302 38.000 0.057 0.000 1.089 159 I HN 0.368 nan 8.210 nan 0.000 0.468 160 G N 1.151 109.977 108.800 0.045 0.000 2.272 160 G HA2 -0.267 3.693 3.960 0.001 0.000 0.280 160 G HA3 -0.267 3.693 3.960 0.001 0.000 0.280 160 G C -0.121 174.813 174.900 0.057 0.000 1.067 160 G CA 0.072 45.200 45.100 0.047 0.000 0.902 160 G HN 0.292 nan 8.290 nan 0.000 0.500 161 D N 0.372 120.814 120.400 0.070 0.000 2.371 161 D HA 0.324 4.964 4.640 0.001 0.000 0.256 161 D C 0.413 176.759 176.300 0.076 0.000 1.193 161 D CA -0.100 53.957 54.000 0.096 0.000 0.881 161 D CB 0.935 41.824 40.800 0.148 0.000 1.143 161 D HN 0.177 nan 8.370 nan 0.000 0.473 162 D N 2.901 123.339 120.400 0.064 0.000 2.545 162 D HA 0.005 4.646 4.640 0.001 0.000 0.227 162 D C 1.464 177.782 176.300 0.030 0.000 1.150 162 D CA -0.255 53.772 54.000 0.045 0.000 1.046 162 D CB -0.224 40.601 40.800 0.042 0.000 1.098 162 D HN 0.471 nan 8.370 nan 0.000 0.502 163 I N -0.122 120.458 120.570 0.016 0.000 2.676 163 I HA -0.087 4.083 4.170 0.001 0.000 0.259 163 I C 1.615 177.672 176.117 -0.100 0.000 1.194 163 I CA 0.515 61.789 61.300 -0.044 0.000 1.473 163 I CB -0.073 37.893 38.000 -0.056 0.000 1.096 163 I HN 0.065 nan 8.210 nan 0.000 0.443 164 E N 1.504 121.676 120.200 -0.046 0.000 2.285 164 E HA -0.144 4.206 4.350 0.001 0.000 0.194 164 E C 2.034 178.664 176.600 0.050 0.000 0.997 164 E CA 1.207 57.597 56.400 -0.016 0.000 0.845 164 E CB -0.437 29.354 29.700 0.153 0.000 0.782 164 E HN 0.543 nan 8.360 nan 0.000 0.491 165 S N 0.746 116.468 115.700 0.037 0.000 2.371 165 S HA -0.059 4.411 4.470 0.001 0.000 0.224 165 S C 2.109 176.717 174.600 0.013 0.000 1.029 165 S CA 0.922 59.148 58.200 0.043 0.000 0.978 165 S CB -0.153 63.069 63.200 0.036 0.000 0.833 165 S HN 0.153 nan 8.310 nan 0.000 0.466 166 V N 1.617 121.518 119.914 -0.022 0.000 2.427 166 V HA -0.088 4.033 4.120 0.001 0.000 0.248 166 V C 2.637 178.684 176.094 -0.078 0.000 1.051 166 V CA 2.051 64.323 62.300 -0.047 0.000 1.048 166 V CB -0.967 30.817 31.823 -0.065 0.000 0.666 166 V HN 0.465 nan 8.190 nan 0.000 0.456 167 S N -0.776 114.847 115.700 -0.129 0.000 2.383 167 S HA -0.165 4.306 4.470 0.001 0.000 0.227 167 S C 2.013 176.578 174.600 -0.059 0.000 1.026 167 S CA 1.288 59.371 58.200 -0.195 0.000 0.981 167 S CB -0.180 62.753 63.200 -0.444 0.000 0.818 167 S HN 0.560 nan 8.310 nan 0.000 0.472 168 K N 0.789 121.220 120.400 0.050 0.000 2.007 168 K HA -0.065 4.256 4.320 0.001 0.000 0.206 168 K C 2.302 178.945 176.600 0.072 0.000 1.047 168 K CA 1.603 57.977 56.287 0.146 0.000 0.937 168 K CB -0.435 32.171 32.500 0.177 0.000 0.718 168 K HN 0.402 nan 8.250 nan 0.000 0.438 169 V N -0.160 119.776 119.914 0.037 0.000 2.358 169 V HA -0.146 3.974 4.120 0.001 0.000 0.246 169 V C 1.849 177.946 176.094 0.005 0.000 1.047 169 V CA 1.329 63.641 62.300 0.021 0.000 1.035 169 V CB -0.429 31.401 31.823 0.012 0.000 0.658 169 V HN 0.094 nan 8.190 nan 0.000 0.452 170 K N 1.587 121.978 120.400 -0.014 0.000 2.103 170 K HA 0.074 4.395 4.320 0.001 0.000 0.204 170 K C 2.318 178.904 176.600 -0.022 0.000 1.052 170 K CA 1.477 57.747 56.287 -0.029 0.000 0.945 170 K CB -1.117 31.349 32.500 -0.057 0.000 0.722 170 K HN 0.602 nan 8.250 nan 0.000 0.443 171 G N 1.150 109.942 108.800 -0.013 0.000 2.408 171 G HA2 -0.186 3.774 3.960 0.001 0.000 0.217 171 G HA3 -0.186 3.774 3.960 0.001 0.000 0.217 171 G C 1.697 176.612 174.900 0.025 0.000 1.150 171 G CA 1.001 46.104 45.100 0.006 0.000 0.776 171 G HN 0.361 nan 8.290 nan 0.000 0.542 172 A N 0.644 123.484 122.820 0.033 0.000 1.898 172 A HA 0.028 4.349 4.320 0.001 0.000 0.216 172 A C 2.133 179.728 177.584 0.018 0.000 1.181 172 A CA 1.918 53.974 52.037 0.032 0.000 0.620 172 A CB -0.401 18.620 19.000 0.035 0.000 0.819 172 A HN 0.469 nan 8.150 nan 0.000 0.442 173 E N 0.077 120.283 120.200 0.010 0.000 2.028 173 E HA -0.136 4.215 4.350 0.001 0.000 0.191 173 E C 1.673 178.274 176.600 0.001 0.000 0.988 173 E CA 1.244 57.646 56.400 0.004 0.000 0.799 173 E CB -0.205 29.494 29.700 -0.002 0.000 0.755 173 E HN 0.599 nan 8.360 nan 0.000 0.447 174 L N 0.363 121.583 121.223 -0.004 0.000 2.554 174 L HA 0.101 4.441 4.340 0.001 0.000 0.226 174 L C 0.624 177.494 176.870 -0.001 0.000 1.137 174 L CA 0.017 54.852 54.840 -0.007 0.000 0.863 174 L CB 0.101 42.148 42.059 -0.020 0.000 0.985 174 L HN -0.008 nan 8.230 nan 0.000 0.451 175 S N 0.652 116.357 115.700 0.007 0.000 3.711 175 S HA -0.117 4.353 4.470 0.001 0.000 0.374 175 S C 0.060 174.667 174.600 0.013 0.000 0.969 175 S CA 0.819 59.028 58.200 0.015 0.000 1.198 175 S CB -0.915 62.295 63.200 0.016 0.000 0.903 175 S HN 0.337 nan 8.310 nan 0.000 0.493 176 K N 0.850 121.254 120.400 0.007 0.000 2.426 176 K HA 0.497 4.817 4.320 0.001 0.000 0.251 176 K C -0.212 176.393 176.600 0.009 0.000 0.941 176 K CA -0.529 55.756 56.287 -0.004 0.000 0.808 176 K CB 1.867 34.346 32.500 -0.035 0.000 1.265 176 K HN 0.156 nan 8.250 nan 0.000 0.432 177 T N 3.245 117.807 114.554 0.013 0.000 2.728 177 T HA 0.475 4.825 4.350 0.001 0.000 0.296 177 T C 0.282 174.963 174.700 -0.032 0.000 0.940 177 T CA -0.243 61.883 62.100 0.044 0.000 1.013 177 T CB -0.047 68.870 68.868 0.081 0.000 0.912 177 T HN 0.279 nan 8.240 nan 0.000 0.484 178 I N 3.746 124.275 120.570 -0.068 0.000 2.418 178 I HA 0.378 4.548 4.170 0.001 0.000 0.287 178 I C -0.468 175.400 176.117 -0.414 0.000 1.008 178 I CA -1.051 60.115 61.300 -0.224 0.000 1.104 178 I CB 1.895 39.764 38.000 -0.218 0.000 1.264 178 I HN 0.250 nan 8.210 nan 0.000 0.438 179 V N 8.346 127.934 119.914 -0.543 0.000 2.347 179 V HA 0.376 4.497 4.120 0.001 0.000 0.280 179 V C -2.214 173.332 176.094 -0.914 0.000 1.021 179 V CA -1.620 60.162 62.300 -0.863 0.000 0.847 179 V CB 1.398 32.789 31.823 -0.719 0.000 0.990 179 V HN 0.549 nan 8.190 nan 0.000 0.444 180 P HA 0.394 nan 4.420 nan 0.000 0.297 180 P C -1.024 175.979 177.300 -0.495 0.000 1.319 180 P CA -0.384 62.316 63.100 -0.666 0.000 0.810 180 P CB 1.926 33.281 31.700 -0.575 0.000 0.947 181 V N 5.537 125.225 119.914 -0.377 0.000 2.409 181 V HA 0.344 4.464 4.120 0.001 0.000 0.291 181 V C 0.968 176.969 176.094 -0.155 0.000 1.020 181 V CA -0.639 61.511 62.300 -0.251 0.000 0.848 181 V CB 1.760 33.394 31.823 -0.316 0.000 0.990 181 V HN 0.387 nan 8.190 nan 0.000 0.430 182 R N 2.866 123.303 120.500 -0.106 0.000 4.496 182 R HA 0.151 4.491 4.340 0.001 0.000 0.211 182 R C 0.665 176.890 176.300 -0.126 0.000 1.738 182 R CA -0.095 55.947 56.100 -0.098 0.000 1.528 182 R CB -0.090 30.167 30.300 -0.071 0.000 1.414 182 R HN 0.954 nan 8.270 nan 0.000 0.812 183 C N -0.084 119.147 119.300 -0.115 0.000 2.353 183 C HA 0.201 4.662 4.460 0.001 0.000 0.338 183 C C 0.735 175.641 174.990 -0.140 0.000 1.343 183 C CA -1.079 57.872 59.018 -0.113 0.000 1.760 183 C CB -1.095 26.610 27.740 -0.059 0.000 2.111 183 C HN 0.438 nan 8.230 nan 0.000 0.576 184 E N 0.947 120.994 120.200 -0.255 0.000 2.529 184 E HA 0.070 4.420 4.350 0.001 0.000 0.259 184 E C 1.269 177.610 176.600 -0.433 0.000 0.966 184 E CA 0.715 56.899 56.400 -0.361 0.000 0.937 184 E CB 0.463 29.840 29.700 -0.539 0.000 0.923 184 E HN 0.492 nan 8.360 nan 0.000 0.468 185 G N 3.460 112.137 108.800 -0.205 0.000 2.517 185 G HA2 -0.325 3.636 3.960 0.001 0.000 0.222 185 G HA3 -0.325 3.636 3.960 0.001 0.000 0.222 185 G C 1.040 175.888 174.900 -0.086 0.000 1.109 185 G CA 1.029 46.071 45.100 -0.096 0.000 0.746 185 G HN 0.698 nan 8.290 nan 0.000 0.576 186 F N 0.205 120.139 119.950 -0.028 0.000 2.780 186 F HA 0.439 4.967 4.527 0.001 0.000 0.299 186 F C 1.181 176.966 175.800 -0.024 0.000 1.146 186 F CA -0.989 56.995 58.000 -0.026 0.000 1.428 186 F CB -0.066 38.915 39.000 -0.032 0.000 1.115 186 F HN -0.149 nan 8.300 nan 0.000 0.583 187 R N 1.588 121.840 120.500 -0.413 0.000 2.390 187 R HA 0.476 4.816 4.340 0.001 0.000 0.291 187 R C 0.820 177.057 176.300 -0.106 0.000 1.070 187 R CA 0.422 56.386 56.100 -0.228 0.000 1.014 187 R CB 0.484 30.575 30.300 -0.349 0.000 1.007 187 R HN 0.544 nan 8.270 nan 0.000 0.466 188 G N 0.472 109.250 108.800 -0.038 0.000 2.527 188 G HA2 -0.280 3.680 3.960 0.001 0.000 0.227 188 G HA3 -0.280 3.680 3.960 0.001 0.000 0.227 188 G C 0.223 175.127 174.900 0.006 0.000 1.291 188 G CA -0.203 44.884 45.100 -0.021 0.000 0.904 188 G HN 0.756 nan 8.290 nan 0.000 0.577 189 V N -3.470 116.450 119.914 0.010 0.000 3.382 189 V HA 0.717 4.838 4.120 0.001 0.000 0.296 189 V C 0.738 176.852 176.094 0.033 0.000 1.529 189 V CA 1.761 64.079 62.300 0.031 0.000 1.048 189 V CB -0.118 31.733 31.823 0.047 0.000 0.878 189 V HN 2.564 nan 8.190 nan 0.000 0.442 190 S N -0.187 115.509 115.700 -0.006 0.000 3.127 190 S HA 0.378 4.848 4.470 0.001 0.000 0.314 190 S C 0.225 174.708 174.600 -0.195 0.000 1.238 190 S CA 0.082 58.256 58.200 -0.042 0.000 1.074 190 S CB 1.431 64.659 63.200 0.047 0.000 1.417 190 S HN 0.063 nan 8.310 nan 0.000 0.597 191 Q N 0.883 120.438 119.800 -0.408 0.000 2.389 191 Q HA 0.286 4.626 4.340 0.001 0.000 0.204 191 Q C 2.005 177.447 176.000 -0.929 0.000 0.944 191 Q CA 1.006 56.437 55.803 -0.620 0.000 0.908 191 Q CB -0.254 28.015 28.738 -0.783 0.000 1.002 191 Q HN 0.582 nan 8.270 nan 0.000 0.493 192 S N 0.273 115.484 115.700 -0.815 0.000 2.370 192 S HA -0.135 4.336 4.470 0.001 0.000 0.226 192 S C 1.595 176.037 174.600 -0.263 0.000 1.033 192 S CA 0.939 58.795 58.200 -0.572 0.000 1.011 192 S CB -0.128 63.090 63.200 0.031 0.000 0.852 192 S HN 0.373 nan 8.310 nan 0.000 0.457 193 L N 1.386 122.517 121.223 -0.153 0.000 2.291 193 L HA 0.227 4.568 4.340 0.001 0.000 0.214 193 L C 2.188 178.990 176.870 -0.113 0.000 1.120 193 L CA 1.521 56.325 54.840 -0.060 0.000 0.799 193 L CB -1.097 40.927 42.059 -0.058 0.000 0.925 193 L HN 0.366 nan 8.230 nan 0.000 0.446 194 G N -1.918 106.761 108.800 -0.201 0.000 2.422 194 G HA2 -0.238 3.722 3.960 0.001 0.000 0.218 194 G HA3 -0.238 3.722 3.960 0.001 0.000 0.218 194 G C 1.337 176.218 174.900 -0.031 0.000 1.140 194 G CA 0.898 45.914 45.100 -0.141 0.000 0.775 194 G HN 0.574 nan 8.290 nan 0.000 0.545 195 H N -1.339 117.681 119.070 -0.084 0.000 2.326 195 H HA -0.062 4.494 4.556 0.001 0.000 0.301 195 H C 2.270 177.541 175.328 -0.097 0.000 1.081 195 H CA 1.124 57.148 56.048 -0.041 0.000 1.334 195 H CB -0.152 29.643 29.762 0.056 0.000 1.385 195 H HN 0.502 nan 8.280 nan 0.000 0.504 196 H N 0.623 119.523 119.070 -0.283 0.000 2.289 196 H HA -0.153 4.403 4.556 0.001 0.000 0.296 196 H C 2.252 177.383 175.328 -0.328 0.000 1.091 196 H CA 1.564 57.185 56.048 -0.711 0.000 1.274 196 H CB 0.037 29.421 29.762 -0.630 0.000 1.364 196 H HN 0.215 nan 8.280 nan 0.000 0.490 197 I N 0.467 120.995 120.570 -0.071 0.000 2.286 197 I HA -0.265 3.905 4.170 0.001 0.000 0.248 197 I C 2.826 178.983 176.117 0.067 0.000 1.115 197 I CA 0.924 62.188 61.300 -0.061 0.000 1.392 197 I CB -0.321 37.630 38.000 -0.081 0.000 1.065 197 I HN 0.382 nan 8.210 nan 0.000 0.418 198 A N 0.593 123.487 122.820 0.124 0.000 1.930 198 A HA -0.184 4.136 4.320 0.001 0.000 0.217 198 A C 2.101 179.814 177.584 0.215 0.000 1.175 198 A CA 1.641 53.857 52.037 0.298 0.000 0.627 198 A CB -0.781 18.357 19.000 0.230 0.000 0.815 198 A HN 0.468 nan 8.150 nan 0.000 0.443 199 N N -0.146 118.619 118.700 0.108 0.000 2.142 199 N HA -0.142 4.598 4.740 0.001 0.000 0.186 199 N C 0.846 176.427 175.510 0.119 0.000 1.023 199 N CA 1.381 54.498 53.050 0.111 0.000 0.852 199 N CB -0.205 38.359 38.487 0.128 0.000 0.998 199 N HN 0.381 nan 8.380 nan 0.000 0.424 200 D N 1.024 121.484 120.400 0.099 0.000 2.178 200 D HA -0.058 4.583 4.640 0.001 0.000 0.202 200 D C 1.784 178.181 176.300 0.163 0.000 0.974 200 D CA 0.504 54.551 54.000 0.077 0.000 0.841 200 D CB -0.204 40.609 40.800 0.022 0.000 0.953 200 D HN 0.225 nan 8.370 nan 0.000 0.478 201 A N 0.374 123.353 122.820 0.265 0.000 1.968 201 A HA -0.076 4.244 4.320 0.001 0.000 0.217 201 A C 2.435 180.350 177.584 0.551 0.000 1.169 201 A CA 0.795 53.092 52.037 0.433 0.000 0.638 201 A CB -0.420 18.816 19.000 0.392 0.000 0.812 201 A HN 0.138 nan 8.150 nan 0.000 0.446 202 V N 1.081 121.245 119.914 0.416 0.000 2.323 202 V HA -0.269 3.851 4.120 0.001 0.000 0.244 202 V C 2.712 178.937 176.094 0.218 0.000 1.041 202 V CA 2.236 64.703 62.300 0.278 0.000 1.025 202 V CB -0.919 30.904 31.823 -0.001 0.000 0.656 202 V HN 0.834 nan 8.190 nan 0.000 0.451 203 R N 0.726 121.297 120.500 0.119 0.000 2.075 203 R HA -0.133 4.208 4.340 0.001 0.000 0.232 203 R C 1.742 178.050 176.300 0.012 0.000 1.126 203 R CA 2.023 58.123 56.100 0.001 0.000 0.963 203 R CB -0.783 29.289 30.300 -0.381 0.000 0.858 203 R HN 0.381 nan 8.270 nan 0.000 0.435 204 D N -0.084 120.320 120.400 0.007 0.000 2.144 204 D HA -0.134 4.506 4.640 0.001 0.000 0.200 204 D C 1.162 177.263 176.300 -0.331 0.000 0.978 204 D CA 1.179 55.077 54.000 -0.169 0.000 0.833 204 D CB -0.099 40.578 40.800 -0.205 0.000 0.961 204 D HN 0.441 nan 8.370 nan 0.000 0.470 205 W N -0.481 120.866 121.300 0.078 0.000 2.940 205 W HA 0.202 4.862 4.660 0.000 0.000 0.297 205 W C 1.730 178.305 176.519 0.095 0.000 1.149 205 W CA -0.112 57.277 57.345 0.073 0.000 1.564 205 W CB 0.385 29.874 29.460 0.049 0.000 1.010 205 W HN -0.235 nan 8.180 nan 0.000 0.578 206 V N -0.905 119.193 119.914 0.308 0.000 3.102 206 V HA 0.006 4.126 4.120 0.001 0.000 0.225 206 V C 1.620 177.810 176.094 0.159 0.000 1.301 206 V CA 0.173 62.608 62.300 0.225 0.000 1.308 206 V CB -0.793 31.172 31.823 0.237 0.000 1.129 206 V HN -0.115 nan 8.190 nan 0.000 0.502 207 L N 2.075 123.404 121.223 0.176 0.000 2.189 207 L HA -0.048 4.292 4.340 0.001 0.000 0.214 207 L C 1.924 178.916 176.870 0.204 0.000 1.097 207 L CA 2.356 57.317 54.840 0.201 0.000 0.764 207 L CB -0.697 41.535 42.059 0.289 0.000 0.900 207 L HN 0.390 nan 8.230 nan 0.000 0.436 208 G N -1.996 106.924 108.800 0.199 0.000 3.141 208 G HA2 -0.089 3.871 3.960 0.001 0.000 0.218 208 G HA3 -0.089 3.871 3.960 0.001 0.000 0.218 208 G C 1.485 176.465 174.900 0.133 0.000 1.170 208 G CA 0.141 45.366 45.100 0.209 0.000 0.769 208 G HN 0.324 nan 8.290 nan 0.000 0.546 209 K N 0.638 121.102 120.400 0.106 0.000 2.103 209 K HA -0.022 4.298 4.320 0.001 0.000 0.207 209 K C 1.645 178.285 176.600 0.068 0.000 1.048 209 K CA 0.716 57.050 56.287 0.080 0.000 0.930 209 K CB -0.027 32.519 32.500 0.077 0.000 0.716 209 K HN 0.152 nan 8.250 nan 0.000 0.444 210 R N 1.299 121.836 120.500 0.062 0.000 2.893 210 R HA 0.113 4.454 4.340 0.001 0.000 0.317 210 R C -0.856 175.486 176.300 0.070 0.000 1.239 210 R CA -0.358 55.772 56.100 0.050 0.000 1.128 210 R CB 0.336 30.647 30.300 0.017 0.000 1.377 210 R HN 0.131 nan 8.270 nan 0.000 0.583 211 D N 2.148 122.610 120.400 0.103 0.000 2.341 211 D HA -0.038 4.603 4.640 0.001 0.000 0.245 211 D C 0.835 177.190 176.300 0.092 0.000 1.106 211 D CA 0.248 54.330 54.000 0.136 0.000 0.905 211 D CB 0.825 41.715 40.800 0.149 0.000 1.202 211 D HN 0.318 nan 8.370 nan 0.000 0.426 212 E N -0.503 119.750 120.200 0.088 0.000 2.883 212 E HA -0.311 4.039 4.350 0.001 0.000 0.271 212 E C -1.029 175.608 176.600 0.062 0.000 1.049 212 E CA 1.022 57.462 56.400 0.067 0.000 0.817 212 E CB -1.740 27.991 29.700 0.053 0.000 1.407 212 E HN 0.345 nan 8.360 nan 0.000 0.434 213 D N 0.108 120.548 120.400 0.068 0.000 2.408 213 D HA 0.221 4.861 4.640 0.001 0.000 0.261 213 D C -0.091 176.258 176.300 0.081 0.000 1.190 213 D CA 0.104 54.144 54.000 0.067 0.000 0.910 213 D CB 0.907 41.743 40.800 0.061 0.000 1.097 213 D HN 0.291 nan 8.370 nan 0.000 0.522 214 T N -0.790 113.813 114.554 0.081 0.000 3.260 214 T HA 0.129 4.479 4.350 0.001 0.000 0.254 214 T C 1.137 175.894 174.700 0.095 0.000 0.951 214 T CA -0.441 61.715 62.100 0.093 0.000 0.918 214 T CB 0.431 69.342 68.868 0.072 0.000 1.098 214 T HN 0.102 nan 8.240 nan 0.000 0.563 215 T N 0.940 115.562 114.554 0.113 0.000 3.043 215 T HA 0.196 4.546 4.350 0.001 0.000 0.263 215 T C 0.129 174.915 174.700 0.142 0.000 1.094 215 T CA -0.127 62.036 62.100 0.104 0.000 1.127 215 T CB -0.282 68.646 68.868 0.100 0.000 0.905 215 T HN 0.554 nan 8.240 nan 0.000 0.490 216 F N 3.152 123.115 119.950 0.021 0.000 2.467 216 F HA 0.499 5.026 4.527 0.001 0.000 0.362 216 F C 0.533 176.344 175.800 0.017 0.000 1.090 216 F CA -2.039 55.974 58.000 0.021 0.000 1.202 216 F CB 0.169 39.182 39.000 0.022 0.000 1.113 216 F HN 0.018 nan 8.300 nan 0.000 0.541 217 A N 5.374 127.859 122.820 -0.557 0.000 2.475 217 A HA 0.354 4.675 4.320 0.001 0.000 0.293 217 A C 0.290 177.572 177.584 -0.503 0.000 1.252 217 A CA -0.146 51.635 52.037 -0.426 0.000 0.920 217 A CB -0.626 18.162 19.000 -0.352 0.000 1.125 217 A HN 0.698 nan 8.150 nan 0.000 0.528 218 S N 1.447 117.025 115.700 -0.203 0.000 2.584 218 S HA 0.539 5.009 4.470 0.001 0.000 0.273 218 S C 0.439 174.984 174.600 -0.091 0.000 1.311 218 S CA -0.011 58.140 58.200 -0.082 0.000 1.034 218 S CB 0.860 64.073 63.200 0.021 0.000 0.939 218 S HN 0.748 nan 8.310 nan 0.000 0.513 219 T N 4.159 118.679 114.554 -0.057 0.000 2.893 219 T HA 0.386 4.736 4.350 0.001 0.000 0.293 219 T C -1.924 172.699 174.700 -0.128 0.000 1.027 219 T CA -1.273 60.767 62.100 -0.101 0.000 0.988 219 T CB 1.863 70.704 68.868 -0.045 0.000 1.043 219 T HN 0.324 nan 8.240 nan 0.000 0.461 220 P HA -0.039 nan 4.420 nan 0.000 0.234 220 P C 0.217 177.509 177.300 -0.014 0.000 1.167 220 P CA 1.010 63.933 63.100 -0.295 0.000 0.763 220 P CB -0.015 31.398 31.700 -0.479 0.000 0.835 221 Y N -0.614 119.833 120.300 0.244 0.000 2.555 221 Y HA 0.208 4.759 4.550 0.000 0.000 0.259 221 Y C 0.558 176.499 175.900 0.069 0.000 1.179 221 Y CA -1.110 57.052 58.100 0.103 0.000 1.230 221 Y CB -0.149 38.206 38.460 -0.174 0.000 1.146 221 Y HN -0.151 nan 8.280 nan 0.000 0.526 222 D N 2.013 122.562 120.400 0.249 0.000 2.425 222 D HA 0.229 4.870 4.640 0.001 0.000 0.247 222 D C 0.211 176.639 176.300 0.214 0.000 1.147 222 D CA 0.532 54.651 54.000 0.199 0.000 0.879 222 D CB 1.656 42.568 40.800 0.188 0.000 1.179 222 D HN 0.096 nan 8.370 nan 0.000 0.456 223 V N -1.478 118.521 119.914 0.142 0.000 3.167 223 V HA 0.972 5.092 4.120 0.001 0.000 0.310 223 V C -0.898 175.225 176.094 0.048 0.000 1.207 223 V CA -1.278 61.084 62.300 0.103 0.000 1.059 223 V CB 1.825 33.691 31.823 0.070 0.000 1.079 223 V HN 0.582 nan 8.190 nan 0.000 0.446 224 A N 1.309 124.127 122.820 -0.003 0.000 2.437 224 A HA 0.804 5.124 4.320 0.001 0.000 0.293 224 A C -0.983 176.558 177.584 -0.071 0.000 1.038 224 A CA -0.474 51.541 52.037 -0.037 0.000 0.708 224 A CB 1.056 19.986 19.000 -0.116 0.000 1.251 224 A HN 0.882 nan 8.150 nan 0.000 0.409 225 I N 3.652 124.213 120.570 -0.015 0.000 2.396 225 I HA 0.235 4.405 4.170 0.001 0.000 0.289 225 I C -0.534 175.572 176.117 -0.018 0.000 1.056 225 I CA -0.122 61.184 61.300 0.011 0.000 1.365 225 I CB 0.674 38.709 38.000 0.059 0.000 1.407 225 I HN 0.388 nan 8.210 nan 0.000 0.509 226 I N 5.792 126.333 120.570 -0.049 0.000 2.411 226 I HA 0.342 4.512 4.170 0.001 0.000 0.284 226 I C 0.797 176.871 176.117 -0.073 0.000 1.012 226 I CA -0.374 60.845 61.300 -0.135 0.000 1.119 226 I CB 0.804 38.618 38.000 -0.310 0.000 1.261 226 I HN 0.888 nan 8.210 nan 0.000 0.448 227 G N 4.311 113.020 108.800 -0.152 0.000 2.141 227 G HA2 -0.167 3.793 3.960 0.001 0.000 0.195 227 G HA3 -0.167 3.793 3.960 0.001 0.000 0.195 227 G C -0.342 174.336 174.900 -0.370 0.000 1.012 227 G CA -0.396 44.549 45.100 -0.258 0.000 0.696 227 G HN 0.623 nan 8.290 nan 0.000 0.508 228 D N -0.612 119.474 120.400 -0.524 0.000 2.549 228 D HA 0.465 5.105 4.640 0.001 0.000 0.251 228 D C 0.447 176.415 176.300 -0.554 0.000 1.153 228 D CA -0.671 53.109 54.000 -0.367 0.000 0.861 228 D CB 0.914 41.593 40.800 -0.202 0.000 1.207 228 D HN 0.139 nan 8.370 nan 0.000 0.543 229 Y N 2.486 122.756 120.300 -0.050 0.000 2.461 229 Y HA 0.186 4.736 4.550 0.001 0.000 0.277 229 Y C 1.422 177.233 175.900 -0.149 0.000 1.182 229 Y CA -0.186 57.861 58.100 -0.090 0.000 1.276 229 Y CB -0.282 38.125 38.460 -0.089 0.000 1.087 229 Y HN 0.554 nan 8.280 nan 0.000 0.519 230 N N 0.925 119.537 118.700 -0.147 0.000 2.754 230 N HA -0.185 4.556 4.740 0.001 0.000 0.248 230 N C -0.902 174.418 175.510 -0.316 0.000 1.093 230 N CA -0.342 52.534 53.050 -0.290 0.000 0.699 230 N CB -0.558 37.679 38.487 -0.416 0.000 1.016 230 N HN 0.072 nan 8.380 nan 0.000 0.552 231 I N 1.323 121.731 120.570 -0.270 0.000 2.671 231 I HA 0.020 4.190 4.170 0.001 0.000 0.285 231 I C 1.934 177.821 176.117 -0.383 0.000 1.148 231 I CA 1.539 62.617 61.300 -0.369 0.000 1.386 231 I CB -0.600 37.104 38.000 -0.494 0.000 1.406 231 I HN 0.464 nan 8.210 nan 0.000 0.540 232 G N 5.233 113.533 108.800 -0.833 0.000 2.168 232 G HA2 -0.172 3.789 3.960 0.001 0.000 0.257 232 G HA3 -0.172 3.789 3.960 0.001 0.000 0.257 232 G C 0.957 175.595 174.900 -0.436 0.000 0.997 232 G CA 0.509 45.099 45.100 -0.851 0.000 0.708 232 G HN 1.652 nan 8.290 nan 0.000 0.520 233 G N -1.257 107.280 108.800 -0.438 0.000 2.134 233 G HA2 -0.191 3.770 3.960 0.001 0.000 0.209 233 G HA3 -0.191 3.770 3.960 0.001 0.000 0.209 233 G C 0.747 175.589 174.900 -0.096 0.000 0.993 233 G CA 0.868 45.865 45.100 -0.172 0.000 0.669 233 G HN 0.530 nan 8.290 nan 0.000 0.519 234 D N 0.813 121.105 120.400 -0.179 0.000 2.126 234 D HA -0.127 4.514 4.640 0.001 0.000 0.190 234 D C 2.673 178.969 176.300 -0.007 0.000 1.001 234 D CA 2.102 56.006 54.000 -0.159 0.000 0.841 234 D CB -0.479 40.056 40.800 -0.442 0.000 0.949 234 D HN 0.786 nan 8.370 nan 0.000 0.446 235 A N 0.223 122.990 122.820 -0.088 0.000 2.015 235 A HA -0.146 4.174 4.320 0.001 0.000 0.219 235 A C 1.994 179.687 177.584 0.181 0.000 1.163 235 A CA 0.808 52.849 52.037 0.006 0.000 0.646 235 A CB -0.787 18.164 19.000 -0.082 0.000 0.806 235 A HN 0.259 nan 8.150 nan 0.000 0.448 236 W N -0.312 121.046 121.300 0.098 0.000 2.418 236 W HA 0.017 4.677 4.660 0.001 0.000 0.292 236 W C 2.718 179.298 176.519 0.102 0.000 1.213 236 W CA 0.765 58.172 57.345 0.102 0.000 1.283 236 W CB -1.307 28.220 29.460 0.111 0.000 1.119 236 W HN 0.401 nan 8.180 nan 0.000 0.542 237 S N -0.616 115.288 115.700 0.339 0.000 2.481 237 S HA -0.074 4.396 4.470 0.001 0.000 0.231 237 S C 1.830 176.530 174.600 0.168 0.000 0.996 237 S CA 1.483 59.816 58.200 0.223 0.000 0.942 237 S CB -0.035 63.273 63.200 0.181 0.000 0.768 237 S HN 0.040 nan 8.310 nan 0.000 0.520 238 S N 0.951 116.792 115.700 0.236 0.000 2.475 238 S HA 0.091 4.561 4.470 0.001 0.000 0.224 238 S C 1.666 176.463 174.600 0.328 0.000 1.042 238 S CA 0.314 58.725 58.200 0.353 0.000 0.935 238 S CB 0.033 63.476 63.200 0.405 0.000 0.801 238 S HN 0.764 nan 8.310 nan 0.000 0.509 239 R N 0.984 121.632 120.500 0.246 0.000 2.297 239 R HA 0.289 4.629 4.340 0.001 0.000 0.197 239 R C 1.732 178.123 176.300 0.152 0.000 0.943 239 R CA 0.394 56.609 56.100 0.191 0.000 1.038 239 R CB -0.473 29.941 30.300 0.190 0.000 0.957 239 R HN 0.286 nan 8.270 nan 0.000 0.484 240 I N 0.725 121.386 120.570 0.152 0.000 2.439 240 I HA -0.058 4.113 4.170 0.001 0.000 0.251 240 I C 1.604 177.779 176.117 0.097 0.000 1.139 240 I CA 1.105 62.477 61.300 0.121 0.000 1.438 240 I CB 0.079 38.160 38.000 0.135 0.000 1.085 240 I HN 0.246 nan 8.210 nan 0.000 0.427 241 L N -0.634 120.626 121.223 0.063 0.000 2.044 241 L HA -0.161 4.179 4.340 0.001 0.000 0.205 241 L C 2.496 179.398 176.870 0.055 0.000 1.075 241 L CA 1.252 56.098 54.840 0.011 0.000 0.747 241 L CB -0.857 41.103 42.059 -0.165 0.000 0.903 241 L HN 0.217 nan 8.230 nan 0.000 0.435 242 L N -0.383 120.897 121.223 0.095 0.000 2.046 242 L HA -0.185 4.155 4.340 0.001 0.000 0.208 242 L C 2.521 179.394 176.870 0.005 0.000 1.077 242 L CA 1.313 56.184 54.840 0.051 0.000 0.747 242 L CB -0.517 41.571 42.059 0.048 0.000 0.896 242 L HN 0.287 nan 8.230 nan 0.000 0.432 243 E N -0.078 120.142 120.200 0.033 0.000 2.208 243 E HA -0.176 4.175 4.350 0.001 0.000 0.193 243 E C 1.910 178.517 176.600 0.012 0.000 0.988 243 E CA 0.649 57.060 56.400 0.019 0.000 0.828 243 E CB 0.082 29.809 29.700 0.045 0.000 0.763 243 E HN 0.530 nan 8.360 nan 0.000 0.478 244 E N 0.252 120.475 120.200 0.037 0.000 2.358 244 E HA -0.049 4.301 4.350 0.001 0.000 0.195 244 E C 1.662 178.270 176.600 0.013 0.000 1.010 244 E CA 0.296 56.724 56.400 0.047 0.000 0.856 244 E CB 0.092 29.860 29.700 0.113 0.000 0.795 244 E HN 0.135 nan 8.360 nan 0.000 0.504 245 M N -0.770 118.822 119.600 -0.013 0.000 2.563 245 M HA 0.085 4.566 4.480 0.001 0.000 0.231 245 M C 0.837 177.050 176.300 -0.145 0.000 1.136 245 M CA 0.775 56.041 55.300 -0.056 0.000 1.026 245 M CB 0.509 33.081 32.600 -0.047 0.000 1.597 245 M HN 0.230 nan 8.290 nan 0.000 0.495 246 G N 0.752 109.469 108.800 -0.140 0.000 2.195 246 G HA2 -0.227 3.733 3.960 0.001 0.000 0.246 246 G HA3 -0.227 3.733 3.960 0.001 0.000 0.246 246 G C 0.047 174.793 174.900 -0.256 0.000 0.984 246 G CA 0.100 45.069 45.100 -0.219 0.000 0.633 246 G HN 0.437 nan 8.290 nan 0.000 0.525 247 L N -0.093 120.995 121.223 -0.226 0.000 2.466 247 L HA 0.585 4.926 4.340 0.001 0.000 0.257 247 L C 1.093 177.937 176.870 -0.044 0.000 1.189 247 L CA -0.655 54.067 54.840 -0.196 0.000 0.813 247 L CB 0.914 42.830 42.059 -0.238 0.000 1.118 247 L HN 0.182 nan 8.230 nan 0.000 0.471 248 R N 1.045 121.560 120.500 0.024 0.000 2.358 248 R HA 0.274 4.615 4.340 0.001 0.000 0.309 248 R C -1.229 175.123 176.300 0.087 0.000 1.026 248 R CA -0.495 55.647 56.100 0.071 0.000 0.909 248 R CB 1.143 31.506 30.300 0.107 0.000 1.153 248 R HN 0.681 nan 8.270 nan 0.000 0.515 249 C N 5.820 125.167 119.300 0.077 0.000 2.416 249 C HA 0.170 4.630 4.460 0.001 0.000 0.355 249 C C 1.667 176.725 174.990 0.114 0.000 1.211 249 C CA -0.488 58.581 59.018 0.086 0.000 1.699 249 C CB -0.472 27.316 27.740 0.080 0.000 2.310 249 C HN 0.818 nan 8.230 nan 0.000 0.539 250 V N 5.298 125.286 119.914 0.123 0.000 2.591 250 V HA 0.130 4.250 4.120 0.001 0.000 0.249 250 V C 1.319 177.475 176.094 0.103 0.000 1.053 250 V CA 1.662 64.040 62.300 0.130 0.000 1.068 250 V CB -0.670 31.236 31.823 0.139 0.000 0.689 250 V HN 0.986 nan 8.190 nan 0.000 0.462 251 A N -0.502 122.390 122.820 0.120 0.000 2.475 251 A HA 0.730 5.051 4.320 0.001 0.000 0.301 251 A C -0.931 176.784 177.584 0.219 0.000 1.059 251 A CA -0.572 51.578 52.037 0.189 0.000 0.710 251 A CB 1.538 20.716 19.000 0.296 0.000 1.288 251 A HN 0.253 nan 8.150 nan 0.000 0.408 252 Q N 0.936 120.884 119.800 0.247 0.000 2.325 252 Q HA 0.275 4.615 4.340 0.001 0.000 0.270 252 Q C -1.782 174.368 176.000 0.249 0.000 1.020 252 Q CA -0.270 55.651 55.803 0.197 0.000 0.785 252 Q CB 2.063 30.880 28.738 0.132 0.000 1.259 252 Q HN 0.699 nan 8.270 nan 0.000 0.452 253 W N 2.136 123.347 121.300 -0.148 0.000 2.416 253 W HA 0.174 4.834 4.660 0.000 0.000 0.318 253 W C 0.888 177.242 176.519 -0.275 0.000 1.150 253 W CA 0.119 57.346 57.345 -0.197 0.000 1.392 253 W CB 0.326 29.670 29.460 -0.194 0.000 1.311 253 W HN 0.876 nan 8.180 nan 0.000 0.436 254 S N 1.377 116.948 115.700 -0.215 0.000 1.586 254 S HA -0.193 4.277 4.470 0.001 0.000 0.250 254 S C 1.036 175.608 174.600 -0.046 0.000 0.736 254 S CA 1.255 59.377 58.200 -0.130 0.000 1.433 254 S CB -1.643 61.623 63.200 0.110 0.000 1.058 254 S HN 0.815 nan 8.310 nan 0.000 0.494 255 G N 1.901 110.664 108.800 -0.062 0.000 2.151 255 G HA2 0.307 4.268 3.960 0.001 0.000 0.269 255 G HA3 0.307 4.268 3.960 0.001 0.000 0.269 255 G C 0.224 175.115 174.900 -0.016 0.000 1.069 255 G CA 1.188 46.259 45.100 -0.048 0.000 1.080 255 G HN 0.909 nan 8.290 nan 0.000 0.405 256 D N 0.339 120.773 120.400 0.058 0.000 2.983 256 D HA -0.141 4.500 4.640 0.001 0.000 0.225 256 D C 1.106 177.498 176.300 0.154 0.000 1.174 256 D CA 1.695 55.812 54.000 0.195 0.000 0.831 256 D CB -1.071 39.938 40.800 0.348 0.000 1.104 256 D HN 0.824 nan 8.370 nan 0.000 0.421 257 G N -0.340 108.492 108.800 0.052 0.000 2.415 257 G HA2 0.504 4.464 3.960 0.001 0.000 0.269 257 G HA3 0.504 4.464 3.960 0.001 0.000 0.269 257 G C 0.203 175.091 174.900 -0.019 0.000 1.209 257 G CA 0.203 45.296 45.100 -0.012 0.000 0.835 257 G HN 0.482 nan 8.290 nan 0.000 0.534 258 S N 1.533 117.221 115.700 -0.020 0.000 2.747 258 S HA 0.417 4.888 4.470 0.001 0.000 0.300 258 S C 1.353 175.919 174.600 -0.057 0.000 1.121 258 S CA -0.851 57.346 58.200 -0.007 0.000 0.995 258 S CB 1.673 64.891 63.200 0.030 0.000 1.113 258 S HN 0.518 nan 8.310 nan 0.000 0.547 259 I N 1.110 121.668 120.570 -0.020 0.000 2.353 259 I HA -0.151 4.019 4.170 0.001 0.000 0.248 259 I C 2.345 178.442 176.117 -0.034 0.000 1.119 259 I CA 1.566 62.849 61.300 -0.028 0.000 1.417 259 I CB -0.318 37.699 38.000 0.030 0.000 1.078 259 I HN 0.897 nan 8.210 nan 0.000 0.421 260 S N -0.195 115.497 115.700 -0.014 0.000 2.423 260 S HA -0.181 4.289 4.470 0.001 0.000 0.231 260 S C 1.716 176.287 174.600 -0.048 0.000 1.014 260 S CA 1.019 59.206 58.200 -0.021 0.000 0.965 260 S CB -0.462 62.737 63.200 -0.002 0.000 0.785 260 S HN 0.543 nan 8.310 nan 0.000 0.495 261 E N 1.134 121.313 120.200 -0.035 0.000 2.072 261 E HA 0.001 4.351 4.350 0.001 0.000 0.191 261 E C 1.968 178.589 176.600 0.034 0.000 0.985 261 E CA 1.263 57.658 56.400 -0.009 0.000 0.801 261 E CB -0.323 29.392 29.700 0.026 0.000 0.750 261 E HN 0.564 nan 8.360 nan 0.000 0.452 262 I N 1.221 121.759 120.570 -0.053 0.000 2.226 262 I HA -0.265 3.905 4.170 0.001 0.000 0.245 262 I C 2.107 178.279 176.117 0.090 0.000 1.100 262 I CA 1.252 62.532 61.300 -0.033 0.000 1.374 262 I CB -0.202 37.549 38.000 -0.416 0.000 1.057 262 I HN 0.102 nan 8.210 nan 0.000 0.413 263 E N 0.243 120.444 120.200 0.001 0.000 2.150 263 E HA -0.193 4.157 4.350 0.001 0.000 0.193 263 E C 1.802 178.359 176.600 -0.072 0.000 0.985 263 E CA 0.913 57.307 56.400 -0.009 0.000 0.814 263 E CB 0.036 29.728 29.700 -0.014 0.000 0.752 263 E HN 0.264 nan 8.360 nan 0.000 0.466 264 L N 0.369 121.516 121.223 -0.127 0.000 2.558 264 L HA -0.008 4.332 4.340 0.001 0.000 0.225 264 L C 1.943 178.695 176.870 -0.196 0.000 1.128 264 L CA 1.276 55.944 54.840 -0.287 0.000 0.868 264 L CB -0.325 41.424 42.059 -0.516 0.000 1.006 264 L HN 0.047 nan 8.230 nan 0.000 0.454 265 T N 0.563 115.091 114.554 -0.043 0.000 2.788 265 T HA -0.065 4.285 4.350 0.001 0.000 0.268 265 T C -0.681 173.923 174.700 -0.160 0.000 1.044 265 T CA 1.157 63.241 62.100 -0.027 0.000 1.139 265 T CB -0.910 68.053 68.868 0.158 0.000 0.867 265 T HN 0.277 nan 8.240 nan 0.000 0.454 266 P HA 0.053 nan 4.420 nan 0.000 0.230 266 P C 0.872 177.997 177.300 -0.292 0.000 1.158 266 P CA 0.949 63.703 63.100 -0.578 0.000 0.769 266 P CB 0.042 30.989 31.700 -1.254 0.000 0.807 267 K N 0.039 120.345 120.400 -0.157 0.000 2.444 267 K HA 0.064 4.384 4.320 0.001 0.000 0.193 267 K C 0.913 177.543 176.600 0.050 0.000 1.024 267 K CA -0.033 56.245 56.287 -0.015 0.000 1.077 267 K CB -0.527 31.998 32.500 0.042 0.000 0.833 267 K HN 0.116 nan 8.250 nan 0.000 0.517 268 V N -1.807 118.112 119.914 0.009 0.000 3.170 268 V HA 0.310 4.430 4.120 0.001 0.000 0.309 268 V C 0.828 176.951 176.094 0.049 0.000 1.071 268 V CA -0.602 61.730 62.300 0.054 0.000 1.063 268 V CB 1.609 33.454 31.823 0.036 0.000 1.123 268 V HN -0.182 nan 8.190 nan 0.000 0.464 269 K N 0.537 120.986 120.400 0.081 0.000 2.284 269 K HA 0.483 4.803 4.320 0.001 0.000 0.198 269 K C -0.116 176.496 176.600 0.019 0.000 1.048 269 K CA 0.631 56.946 56.287 0.047 0.000 0.987 269 K CB -0.026 32.519 32.500 0.074 0.000 0.800 269 K HN 0.654 nan 8.250 nan 0.000 0.486 270 L N -0.100 121.162 121.223 0.065 0.000 2.482 270 L HA 0.363 4.704 4.340 0.001 0.000 0.263 270 L C -1.922 174.970 176.870 0.035 0.000 0.957 270 L CA -0.431 54.437 54.840 0.047 0.000 0.836 270 L CB 2.137 44.236 42.059 0.066 0.000 1.324 270 L HN -0.010 nan 8.230 nan 0.000 0.406 271 N N 4.920 123.643 118.700 0.039 0.000 2.527 271 N HA 0.518 5.259 4.740 0.001 0.000 0.236 271 N C -1.203 174.336 175.510 0.048 0.000 0.999 271 N CA -0.476 52.568 53.050 -0.011 0.000 0.935 271 N CB 0.882 39.340 38.487 -0.048 0.000 1.132 271 N HN 0.477 nan 8.380 nan 0.000 0.511 272 L N 2.779 123.990 121.223 -0.021 0.000 2.315 272 L HA 0.278 4.619 4.340 0.001 0.000 0.283 272 L C -0.273 176.689 176.870 0.153 0.000 1.089 272 L CA -0.596 54.226 54.840 -0.029 0.000 0.833 272 L CB 0.696 42.532 42.059 -0.372 0.000 1.170 272 L HN 0.204 nan 8.230 nan 0.000 0.442 273 V N 3.353 123.439 119.914 0.285 0.000 2.294 273 V HA 0.076 4.196 4.120 0.001 0.000 0.272 273 V C 0.666 176.876 176.094 0.192 0.000 1.027 273 V CA -0.374 62.052 62.300 0.210 0.000 0.823 273 V CB 0.922 32.840 31.823 0.158 0.000 1.030 273 V HN 0.726 nan 8.190 nan 0.000 0.457 274 H N 3.242 122.289 119.070 -0.038 0.000 2.276 274 H HA 0.043 4.599 4.556 0.001 0.000 0.307 274 H C 1.322 176.514 175.328 -0.227 0.000 1.061 274 H CA 1.715 57.513 56.048 -0.418 0.000 1.336 274 H CB 0.225 29.675 29.762 -0.520 0.000 1.396 274 H HN 0.632 nan 8.280 nan 0.000 0.503 275 C N 1.761 121.019 119.300 -0.070 0.000 2.349 275 C HA 0.110 4.571 4.460 0.001 0.000 0.348 275 C C 1.562 176.515 174.990 -0.061 0.000 1.223 275 C CA -0.514 58.462 59.018 -0.070 0.000 1.746 275 C CB -1.920 25.883 27.740 0.105 0.000 2.360 275 C HN 0.690 nan 8.230 nan 0.000 0.533 276 Y N 5.019 125.196 120.300 -0.205 0.000 2.176 276 Y HA 0.058 4.608 4.550 0.000 0.000 0.291 276 Y C 2.447 178.206 175.900 -0.235 0.000 1.122 276 Y CA 1.494 59.474 58.100 -0.201 0.000 1.128 276 Y CB -0.386 37.979 38.460 -0.158 0.000 1.005 276 Y HN 0.673 nan 8.280 nan 0.000 0.509 277 R N 0.748 121.099 120.500 -0.248 0.000 2.103 277 R HA -0.171 4.170 4.340 0.001 0.000 0.242 277 R C 2.480 178.649 176.300 -0.219 0.000 1.142 277 R CA 1.917 57.841 56.100 -0.293 0.000 0.960 277 R CB -1.106 29.200 30.300 0.011 0.000 0.858 277 R HN 0.603 nan 8.270 nan 0.000 0.439 278 S N -1.304 114.300 115.700 -0.160 0.000 2.425 278 S HA 0.027 4.497 4.470 0.001 0.000 0.225 278 S C 1.646 176.219 174.600 -0.044 0.000 1.024 278 S CA 0.574 58.638 58.200 -0.227 0.000 0.951 278 S CB 0.181 63.092 63.200 -0.482 0.000 0.796 278 S HN 0.259 nan 8.310 nan 0.000 0.498 279 M N 1.959 121.469 119.600 -0.149 0.000 2.809 279 M HA 0.303 4.784 4.480 0.001 0.000 0.388 279 M C 0.570 176.645 176.300 -0.375 0.000 1.248 279 M CA -0.170 55.055 55.300 -0.126 0.000 0.885 279 M CB 0.484 33.065 32.600 -0.032 0.000 1.386 279 M HN 0.514 nan 8.290 nan 0.000 0.509 280 N N -0.251 118.032 118.700 -0.695 0.000 2.300 280 N HA -0.139 4.601 4.740 0.001 0.000 0.179 280 N C 1.156 176.242 175.510 -0.705 0.000 1.016 280 N CA 1.276 53.771 53.050 -0.925 0.000 0.876 280 N CB -0.409 37.314 38.487 -1.273 0.000 0.979 280 N HN 0.317 nan 8.380 nan 0.000 0.432 281 Y N 0.658 120.736 120.300 -0.369 0.000 2.097 281 Y HA -0.078 4.472 4.550 0.001 0.000 0.282 281 Y C 2.331 178.152 175.900 -0.132 0.000 1.152 281 Y CA 0.981 58.946 58.100 -0.224 0.000 1.136 281 Y CB -0.438 37.917 38.460 -0.175 0.000 0.975 281 Y HN 0.094 nan 8.280 nan 0.000 0.498 282 I N -0.846 119.762 120.570 0.065 0.000 2.676 282 I HA -0.232 3.938 4.170 0.001 0.000 0.259 282 I C 1.902 177.973 176.117 -0.077 0.000 1.194 282 I CA 0.947 62.281 61.300 0.057 0.000 1.473 282 I CB -0.084 37.983 38.000 0.112 0.000 1.096 282 I HN 0.145 nan 8.210 nan 0.000 0.443 283 S N 0.389 115.896 115.700 -0.322 0.000 2.395 283 S HA -0.025 4.446 4.470 0.001 0.000 0.225 283 S C 1.962 176.296 174.600 -0.443 0.000 1.027 283 S CA 0.648 58.539 58.200 -0.515 0.000 0.965 283 S CB -0.086 62.550 63.200 -0.940 0.000 0.812 283 S HN 0.422 nan 8.310 nan 0.000 0.482 284 R N 0.475 120.744 120.500 -0.384 0.000 2.066 284 R HA -0.070 4.270 4.340 0.001 0.000 0.232 284 R C 2.382 178.724 176.300 0.071 0.000 1.131 284 R CA 1.351 57.428 56.100 -0.039 0.000 0.955 284 R CB -0.534 29.765 30.300 -0.002 0.000 0.851 284 R HN 0.520 nan 8.270 nan 0.000 0.432 285 H N 0.842 119.913 119.070 0.001 0.000 2.352 285 H HA -0.098 4.459 4.556 0.001 0.000 0.299 285 H C 1.821 177.192 175.328 0.071 0.000 1.097 285 H CA 1.730 57.805 56.048 0.045 0.000 1.311 285 H CB 0.054 29.855 29.762 0.065 0.000 1.377 285 H HN 0.165 nan 8.280 nan 0.000 0.504 286 M N 0.242 119.857 119.600 0.026 0.000 2.374 286 M HA -0.097 4.384 4.480 0.001 0.000 0.264 286 M C 2.299 178.650 176.300 0.085 0.000 1.067 286 M CA 1.195 56.565 55.300 0.117 0.000 1.103 286 M CB 0.000 32.677 32.600 0.128 0.000 1.402 286 M HN 0.367 nan 8.290 nan 0.000 0.444 287 E N 0.930 121.175 120.200 0.075 0.000 2.033 287 E HA -0.176 4.174 4.350 0.001 0.000 0.189 287 E C 1.852 178.456 176.600 0.006 0.000 0.979 287 E CA 1.157 57.621 56.400 0.107 0.000 0.802 287 E CB 0.148 29.986 29.700 0.229 0.000 0.763 287 E HN 0.498 nan 8.360 nan 0.000 0.449 288 E N 0.823 120.995 120.200 -0.046 0.000 2.204 288 E HA -0.222 4.129 4.350 0.001 0.000 0.194 288 E C 1.903 178.388 176.600 -0.193 0.000 0.989 288 E CA 0.950 57.294 56.400 -0.093 0.000 0.824 288 E CB -0.118 29.543 29.700 -0.066 0.000 0.756 288 E HN 0.170 nan 8.360 nan 0.000 0.477 289 K N 0.028 120.210 120.400 -0.364 0.000 2.141 289 K HA 0.002 4.323 4.320 0.001 0.000 0.202 289 K C 1.475 177.761 176.600 -0.524 0.000 1.045 289 K CA 0.479 56.442 56.287 -0.539 0.000 0.971 289 K CB 0.141 32.092 32.500 -0.915 0.000 0.795 289 K HN 0.085 nan 8.250 nan 0.000 0.459 290 Y N -0.865 119.378 120.300 -0.095 0.000 2.478 290 Y HA 0.241 4.792 4.550 0.001 0.000 0.261 290 Y C 1.325 177.208 175.900 -0.028 0.000 1.127 290 Y CA 0.279 58.354 58.100 -0.041 0.000 1.288 290 Y CB 1.178 39.623 38.460 -0.024 0.000 1.084 290 Y HN 0.384 nan 8.280 nan 0.000 0.530 291 G N 1.004 109.848 108.800 0.074 0.000 2.176 291 G HA2 -0.301 3.659 3.960 0.001 0.000 0.253 291 G HA3 -0.301 3.659 3.960 0.001 0.000 0.253 291 G C 0.152 175.089 174.900 0.060 0.000 0.979 291 G CA -0.039 45.090 45.100 0.047 0.000 0.641 291 G HN 0.285 nan 8.290 nan 0.000 0.530 292 I N 3.802 124.431 120.570 0.098 0.000 2.664 292 I HA 0.170 4.341 4.170 0.001 0.000 0.284 292 I C -1.145 175.035 176.117 0.104 0.000 1.154 292 I CA -1.367 59.981 61.300 0.079 0.000 1.402 292 I CB 0.514 38.557 38.000 0.071 0.000 1.395 292 I HN 0.019 nan 8.210 nan 0.000 0.545 293 P HA 0.093 nan 4.420 nan 0.000 0.274 293 P C -1.229 176.128 177.300 0.096 0.000 1.231 293 P CA -0.216 62.891 63.100 0.012 0.000 0.790 293 P CB 0.753 32.405 31.700 -0.080 0.000 0.951 294 W N 3.208 124.481 121.300 -0.044 0.000 2.936 294 W HA 0.661 5.322 4.660 0.000 0.000 0.338 294 W C -1.414 175.089 176.519 -0.027 0.000 1.121 294 W CA -1.390 55.929 57.345 -0.043 0.000 1.209 294 W CB 1.088 30.520 29.460 -0.046 0.000 1.420 294 W HN 0.321 nan 8.180 nan 0.000 0.516 295 M N 0.813 120.517 119.600 0.173 0.000 2.446 295 M HA 0.544 5.024 4.480 0.001 0.000 0.294 295 M C -1.237 175.197 176.300 0.223 0.000 1.158 295 M CA -0.646 54.686 55.300 0.053 0.000 0.899 295 M CB 3.242 35.823 32.600 -0.031 0.000 1.687 295 M HN 0.445 nan 8.290 nan 0.000 0.455 296 E N 2.813 123.124 120.200 0.185 0.000 2.289 296 E HA 0.408 4.758 4.350 0.001 0.000 0.278 296 E C -1.656 175.060 176.600 0.193 0.000 1.032 296 E CA -0.259 56.266 56.400 0.209 0.000 0.854 296 E CB 1.013 30.785 29.700 0.120 0.000 1.046 296 E HN 0.655 nan 8.360 nan 0.000 0.409 297 Y N 0.580 120.857 120.300 -0.038 0.000 2.576 297 Y HA 0.548 5.098 4.550 0.001 0.000 0.346 297 Y C -1.206 174.625 175.900 -0.116 0.000 1.018 297 Y CA -1.302 56.735 58.100 -0.106 0.000 1.050 297 Y CB 1.579 39.914 38.460 -0.207 0.000 1.280 297 Y HN 0.374 nan 8.280 nan 0.000 0.474 298 N N 2.352 120.937 118.700 -0.191 0.000 2.461 298 N HA 0.376 5.116 4.740 0.001 0.000 0.284 298 N C -1.733 173.775 175.510 -0.003 0.000 1.049 298 N CA -0.700 52.151 53.050 -0.332 0.000 0.889 298 N CB 1.001 39.178 38.487 -0.517 0.000 1.365 298 N HN 0.808 nan 8.380 nan 0.000 0.499 299 F N 3.225 122.975 119.950 -0.334 0.000 2.923 299 F HA 0.314 4.842 4.527 0.000 0.000 0.314 299 F C -0.469 175.017 175.800 -0.524 0.000 1.196 299 F CA -0.572 57.173 58.000 -0.425 0.000 1.320 299 F CB 0.400 39.134 39.000 -0.444 0.000 0.953 299 F HN 0.408 nan 8.300 nan 0.000 0.505 300 F N 1.305 121.157 119.950 -0.164 0.000 2.344 300 F HA 0.522 5.050 4.527 0.001 0.000 0.344 300 F C 0.566 176.147 175.800 -0.364 0.000 1.140 300 F CA -0.264 57.599 58.000 -0.228 0.000 1.256 300 F CB 0.578 39.454 39.000 -0.206 0.000 1.573 300 F HN 0.160 nan 8.300 nan 0.000 0.547 301 G N 2.815 111.444 108.800 -0.284 0.000 2.428 301 G HA2 -0.099 3.861 3.960 0.001 0.000 0.681 301 G HA3 -0.099 3.861 3.960 0.001 0.000 0.681 301 G C -2.737 171.728 174.900 -0.725 0.000 1.340 301 G CA -1.257 43.502 45.100 -0.570 0.000 0.915 301 G HN 0.160 nan 8.290 nan 0.000 0.645 302 P HA -0.093 nan 4.420 nan 0.000 0.211 302 P C 2.173 179.021 177.300 -0.754 0.000 1.179 302 P CA 2.811 65.270 63.100 -1.068 0.000 0.910 302 P CB 0.015 30.748 31.700 -1.613 0.000 0.785 303 T N -0.851 113.330 114.554 -0.620 0.000 2.720 303 T HA -0.168 4.183 4.350 0.001 0.000 0.268 303 T C 1.723 176.253 174.700 -0.283 0.000 1.037 303 T CA 1.485 63.361 62.100 -0.374 0.000 1.144 303 T CB -0.505 68.207 68.868 -0.259 0.000 0.864 303 T HN -0.058 nan 8.240 nan 0.000 0.444 304 K N 0.250 120.471 120.400 -0.298 0.000 2.116 304 K HA 0.061 4.381 4.320 0.001 0.000 0.203 304 K C 2.476 178.965 176.600 -0.186 0.000 1.052 304 K CA 1.235 57.395 56.287 -0.212 0.000 0.952 304 K CB -0.790 31.589 32.500 -0.201 0.000 0.729 304 K HN 0.360 nan 8.250 nan 0.000 0.446 305 T N 2.102 116.442 114.554 -0.356 0.000 2.821 305 T HA -0.018 4.332 4.350 0.001 0.000 0.267 305 T C 2.046 176.520 174.700 -0.378 0.000 1.046 305 T CA 0.917 62.703 62.100 -0.523 0.000 1.139 305 T CB -0.072 68.096 68.868 -1.168 0.000 0.871 305 T HN 0.109 nan 8.240 nan 0.000 0.454 306 I N 0.588 120.995 120.570 -0.271 0.000 2.333 306 I HA -0.062 4.108 4.170 0.001 0.000 0.246 306 I C 2.709 178.803 176.117 -0.040 0.000 1.106 306 I CA 1.045 62.295 61.300 -0.084 0.000 1.411 306 I CB -0.281 37.690 38.000 -0.050 0.000 1.082 306 I HN 0.266 nan 8.210 nan 0.000 0.420 307 E N 0.919 121.080 120.200 -0.065 0.000 2.058 307 E HA -0.211 4.139 4.350 0.001 0.000 0.194 307 E C 2.264 178.873 176.600 0.016 0.000 0.997 307 E CA 1.779 58.160 56.400 -0.031 0.000 0.801 307 E CB 0.132 29.797 29.700 -0.059 0.000 0.746 307 E HN 0.332 nan 8.360 nan 0.000 0.450 308 S N 0.446 116.183 115.700 0.061 0.000 2.368 308 S HA -0.088 4.382 4.470 0.001 0.000 0.224 308 S C 1.934 176.634 174.600 0.167 0.000 1.029 308 S CA 0.722 59.017 58.200 0.159 0.000 0.988 308 S CB -0.160 63.250 63.200 0.350 0.000 0.838 308 S HN 0.267 nan 8.310 nan 0.000 0.462 309 L N 0.801 122.123 121.223 0.165 0.000 2.201 309 L HA -0.038 4.302 4.340 0.001 0.000 0.212 309 L C 2.660 179.573 176.870 0.072 0.000 1.105 309 L CA 0.975 55.888 54.840 0.122 0.000 0.775 309 L CB -0.288 41.810 42.059 0.065 0.000 0.913 309 L HN 0.232 nan 8.230 nan 0.000 0.440 310 R N -0.477 120.057 120.500 0.057 0.000 2.090 310 R HA -0.051 4.289 4.340 0.001 0.000 0.228 310 R C 2.412 178.738 176.300 0.043 0.000 1.110 310 R CA 1.140 57.266 56.100 0.044 0.000 0.973 310 R CB -0.285 30.034 30.300 0.032 0.000 0.869 310 R HN 0.303 nan 8.270 nan 0.000 0.440 311 A N 1.148 123.991 122.820 0.039 0.000 1.898 311 A HA -0.101 4.219 4.320 0.001 0.000 0.216 311 A C 2.094 179.702 177.584 0.040 0.000 1.181 311 A CA 1.073 53.126 52.037 0.027 0.000 0.620 311 A CB -0.372 18.637 19.000 0.016 0.000 0.819 311 A HN 0.153 nan 8.150 nan 0.000 0.442 312 I N -0.244 120.356 120.570 0.050 0.000 2.252 312 I HA -0.234 3.936 4.170 0.001 0.000 0.245 312 I C 2.885 179.104 176.117 0.171 0.000 1.102 312 I CA 1.040 62.384 61.300 0.074 0.000 1.385 312 I CB -0.274 37.730 38.000 0.006 0.000 1.064 312 I HN 0.333 nan 8.210 nan 0.000 0.414 313 A N 0.680 123.571 122.820 0.119 0.000 2.015 313 A HA -0.023 4.297 4.320 0.001 0.000 0.219 313 A C 2.444 180.125 177.584 0.161 0.000 1.163 313 A CA 1.424 53.541 52.037 0.134 0.000 0.646 313 A CB -0.637 18.398 19.000 0.059 0.000 0.806 313 A HN 0.411 nan 8.150 nan 0.000 0.448 314 A N -0.683 122.198 122.820 0.102 0.000 2.172 314 A HA -0.030 4.290 4.320 0.001 0.000 0.216 314 A C 1.826 179.440 177.584 0.050 0.000 1.154 314 A CA 1.216 53.292 52.037 0.065 0.000 0.701 314 A CB -0.180 18.838 19.000 0.030 0.000 0.789 314 A HN 0.301 nan 8.150 nan 0.000 0.465 315 K N -1.305 119.139 120.400 0.072 0.000 2.400 315 K HA 0.231 4.551 4.320 0.001 0.000 0.194 315 K C -0.290 176.186 176.600 -0.206 0.000 1.033 315 K CA 0.244 56.486 56.287 -0.073 0.000 1.021 315 K CB -0.092 32.333 32.500 -0.125 0.000 0.808 315 K HN 0.497 nan 8.250 nan 0.000 0.505 316 F N 1.170 121.141 119.950 0.034 0.000 2.695 316 F HA 0.120 4.647 4.527 0.000 0.000 0.392 316 F C 1.223 177.064 175.800 0.067 0.000 1.209 316 F CA -1.083 56.964 58.000 0.078 0.000 1.138 316 F CB 0.223 39.288 39.000 0.110 0.000 1.557 316 F HN -0.088 nan 8.300 nan 0.000 0.496 317 D N -0.152 120.459 120.400 0.351 0.000 2.447 317 D HA 0.061 4.702 4.640 0.001 0.000 0.265 317 D C 0.272 176.645 176.300 0.122 0.000 1.250 317 D CA -0.174 53.944 54.000 0.198 0.000 1.046 317 D CB 0.336 41.270 40.800 0.222 0.000 1.095 317 D HN 0.619 nan 8.370 nan 0.000 0.555 318 E N -0.864 119.384 120.200 0.079 0.000 2.274 318 E HA -0.115 4.236 4.350 0.001 0.000 0.194 318 E C 1.930 178.540 176.600 0.017 0.000 0.996 318 E CA 1.024 57.451 56.400 0.044 0.000 0.840 318 E CB -0.011 29.710 29.700 0.036 0.000 0.772 318 E HN 0.547 nan 8.360 nan 0.000 0.491 319 S N 0.525 116.227 115.700 0.003 0.000 2.436 319 S HA -0.044 4.426 4.470 0.001 0.000 0.228 319 S C 1.910 176.451 174.600 -0.099 0.000 1.014 319 S CA 0.333 58.507 58.200 -0.043 0.000 0.950 319 S CB -0.002 63.168 63.200 -0.051 0.000 0.784 319 S HN 0.081 nan 8.310 nan 0.000 0.504 320 I N 1.937 122.434 120.570 -0.122 0.000 2.584 320 I HA 0.012 4.182 4.170 0.001 0.000 0.255 320 I C 2.654 178.730 176.117 -0.068 0.000 1.145 320 I CA 0.950 62.147 61.300 -0.172 0.000 1.462 320 I CB -1.449 36.407 38.000 -0.240 0.000 1.102 320 I HN 0.416 nan 8.210 nan 0.000 0.433 321 Q N 0.553 120.346 119.800 -0.011 0.000 2.172 321 Q HA -0.194 4.146 4.340 0.001 0.000 0.200 321 Q C 2.199 178.201 176.000 0.004 0.000 0.964 321 Q CA 1.156 56.967 55.803 0.013 0.000 0.855 321 Q CB 0.042 28.799 28.738 0.032 0.000 0.918 321 Q HN 0.408 nan 8.270 nan 0.000 0.444 322 K N 1.280 121.675 120.400 -0.007 0.000 2.057 322 K HA -0.139 4.181 4.320 0.001 0.000 0.206 322 K C 1.705 178.300 176.600 -0.008 0.000 1.050 322 K CA 1.124 57.408 56.287 -0.006 0.000 0.935 322 K CB 0.147 32.640 32.500 -0.011 0.000 0.715 322 K HN -0.048 nan 8.250 nan 0.000 0.439 323 K N 0.249 120.632 120.400 -0.028 0.000 2.283 323 K HA -0.130 4.190 4.320 0.001 0.000 0.202 323 K C 2.241 178.842 176.600 0.002 0.000 1.048 323 K CA 1.031 57.303 56.287 -0.025 0.000 0.948 323 K CB -0.183 32.278 32.500 -0.065 0.000 0.742 323 K HN 0.302 nan 8.250 nan 0.000 0.458 324 C N 1.504 120.806 119.300 0.004 0.000 2.446 324 C HA -0.045 4.415 4.460 0.001 0.000 0.277 324 C C 2.248 177.270 174.990 0.053 0.000 1.275 324 C CA 0.819 59.855 59.018 0.030 0.000 1.727 324 C CB -0.398 27.359 27.740 0.028 0.000 2.010 324 C HN 0.375 nan 8.230 nan 0.000 0.486 325 E N 0.736 120.960 120.200 0.040 0.000 2.274 325 E HA -0.098 4.252 4.350 0.001 0.000 0.194 325 E C 2.047 178.675 176.600 0.045 0.000 0.996 325 E CA 0.921 57.349 56.400 0.046 0.000 0.840 325 E CB -0.430 29.290 29.700 0.032 0.000 0.772 325 E HN 0.753 nan 8.360 nan 0.000 0.491 326 E N 0.240 120.461 120.200 0.036 0.000 2.107 326 E HA -0.078 4.272 4.350 0.001 0.000 0.191 326 E C 2.090 178.724 176.600 0.056 0.000 0.982 326 E CA 0.771 57.188 56.400 0.029 0.000 0.809 326 E CB 0.198 29.907 29.700 0.014 0.000 0.756 326 E HN 0.018 nan 8.360 nan 0.000 0.459 327 V N 1.530 121.504 119.914 0.099 0.000 2.488 327 V HA -0.179 3.941 4.120 0.001 0.000 0.246 327 V C 2.300 178.531 176.094 0.227 0.000 1.046 327 V CA 1.237 63.656 62.300 0.199 0.000 1.053 327 V CB -0.235 31.711 31.823 0.204 0.000 0.679 327 V HN 0.291 nan 8.190 nan 0.000 0.458 328 I N 0.606 121.273 120.570 0.162 0.000 2.394 328 I HA -0.137 4.033 4.170 0.001 0.000 0.251 328 I C 2.252 178.430 176.117 0.101 0.000 1.136 328 I CA 1.892 63.288 61.300 0.161 0.000 1.425 328 I CB -0.260 37.832 38.000 0.154 0.000 1.079 328 I HN 0.156 nan 8.210 nan 0.000 0.425 329 A N 0.610 123.468 122.820 0.063 0.000 1.970 329 A HA -0.130 4.190 4.320 0.001 0.000 0.216 329 A C 2.435 179.992 177.584 -0.044 0.000 1.170 329 A CA 1.363 53.408 52.037 0.014 0.000 0.645 329 A CB -0.568 18.434 19.000 0.004 0.000 0.816 329 A HN 0.503 nan 8.150 nan 0.000 0.447 330 K N -1.378 118.990 120.400 -0.052 0.000 2.057 330 K HA -0.135 4.186 4.320 0.001 0.000 0.206 330 K C 1.139 177.543 176.600 -0.328 0.000 1.050 330 K CA 1.504 57.679 56.287 -0.187 0.000 0.935 330 K CB -0.242 32.126 32.500 -0.219 0.000 0.715 330 K HN 0.541 nan 8.250 nan 0.000 0.439 331 Y N 0.725 120.873 120.300 -0.253 0.000 2.466 331 Y HA 0.093 4.643 4.550 0.001 0.000 0.272 331 Y C 2.007 177.748 175.900 -0.265 0.000 1.169 331 Y CA 0.262 58.123 58.100 -0.399 0.000 1.285 331 Y CB 0.264 38.088 38.460 -1.059 0.000 1.078 331 Y HN 0.041 nan 8.280 nan 0.000 0.523 332 K N 1.235 121.584 120.400 -0.084 0.000 2.026 332 K HA -0.127 4.193 4.320 0.001 0.000 0.208 332 K C -0.798 175.499 176.600 -0.505 0.000 1.048 332 K CA 1.345 57.493 56.287 -0.232 0.000 0.929 332 K CB -0.901 31.536 32.500 -0.106 0.000 0.713 332 K HN 0.163 nan 8.250 nan 0.000 0.439 333 P HA -0.164 nan 4.420 nan 0.000 0.216 333 P C 0.536 177.710 177.300 -0.210 0.000 1.150 333 P CA 1.509 64.456 63.100 -0.256 0.000 0.837 333 P CB 0.027 31.623 31.700 -0.173 0.000 0.786 334 E N -0.036 120.088 120.200 -0.127 0.000 2.028 334 E HA -0.140 4.210 4.350 0.001 0.000 0.191 334 E C 2.239 178.928 176.600 0.149 0.000 0.988 334 E CA 1.209 57.621 56.400 0.021 0.000 0.799 334 E CB -0.648 29.110 29.700 0.096 0.000 0.755 334 E HN 0.486 nan 8.360 nan 0.000 0.447 335 W N 1.254 122.625 121.300 0.120 0.000 2.595 335 W HA 0.022 4.682 4.660 0.000 0.000 0.257 335 W C 0.881 177.533 176.519 0.222 0.000 1.267 335 W CA 0.476 57.981 57.345 0.267 0.000 1.300 335 W CB -0.285 29.335 29.460 0.267 0.000 1.120 335 W HN 0.044 nan 8.180 nan 0.000 0.618 336 E N 0.901 120.872 120.200 -0.383 0.000 2.230 336 E HA -0.017 4.333 4.350 0.001 0.000 0.192 336 E C 2.536 179.065 176.600 -0.118 0.000 0.987 336 E CA 0.862 57.003 56.400 -0.431 0.000 0.841 336 E CB 0.014 29.278 29.700 -0.726 0.000 0.783 336 E HN 0.270 nan 8.360 nan 0.000 0.481 337 A N 0.767 123.550 122.820 -0.061 0.000 1.970 337 A HA -0.056 4.264 4.320 0.001 0.000 0.216 337 A C 2.359 179.962 177.584 0.032 0.000 1.170 337 A CA 0.583 52.603 52.037 -0.028 0.000 0.645 337 A CB -0.194 18.788 19.000 -0.029 0.000 0.816 337 A HN 0.071 nan 8.150 nan 0.000 0.447 338 V N -0.493 119.510 119.914 0.150 0.000 2.379 338 V HA -0.178 3.943 4.120 0.001 0.000 0.245 338 V C 2.542 178.787 176.094 0.253 0.000 1.044 338 V CA 1.855 64.292 62.300 0.228 0.000 1.036 338 V CB -0.536 31.451 31.823 0.274 0.000 0.664 338 V HN 0.353 nan 8.190 nan 0.000 0.453 339 V N 0.385 120.493 119.914 0.323 0.000 2.358 339 V HA -0.210 3.910 4.120 0.001 0.000 0.246 339 V C 2.700 178.881 176.094 0.145 0.000 1.047 339 V CA 1.884 64.372 62.300 0.312 0.000 1.035 339 V CB -1.032 31.029 31.823 0.397 0.000 0.658 339 V HN 0.547 nan 8.190 nan 0.000 0.452 340 A N -0.287 122.571 122.820 0.064 0.000 1.933 340 A HA -0.257 4.063 4.320 0.001 0.000 0.218 340 A C 2.335 179.885 177.584 -0.057 0.000 1.175 340 A CA 2.242 54.276 52.037 -0.005 0.000 0.628 340 A CB -0.369 18.607 19.000 -0.041 0.000 0.814 340 A HN 0.545 nan 8.150 nan 0.000 0.444 341 K N -1.893 118.430 120.400 -0.127 0.000 2.044 341 K HA -0.038 4.282 4.320 0.001 0.000 0.204 341 K C 1.640 178.024 176.600 -0.360 0.000 1.045 341 K CA 1.288 57.376 56.287 -0.332 0.000 0.951 341 K CB -0.208 31.929 32.500 -0.605 0.000 0.738 341 K HN 0.552 nan 8.250 nan 0.000 0.443 342 Y N -0.121 120.168 120.300 -0.019 0.000 2.503 342 Y HA 0.149 4.699 4.550 0.000 0.000 0.278 342 Y C 2.351 178.243 175.900 -0.013 0.000 1.111 342 Y CA 0.122 58.198 58.100 -0.040 0.000 1.270 342 Y CB 0.158 38.555 38.460 -0.105 0.000 1.063 342 Y HN 0.015 nan 8.280 nan 0.000 0.548 343 R N 1.266 121.862 120.500 0.160 0.000 2.073 343 R HA -0.117 4.223 4.340 0.001 0.000 0.234 343 R C -0.835 175.516 176.300 0.084 0.000 1.134 343 R CA 1.596 57.775 56.100 0.131 0.000 0.952 343 R CB -1.235 29.153 30.300 0.147 0.000 0.850 343 R HN 0.195 nan 8.270 nan 0.000 0.433 344 P HA -0.132 nan 4.420 nan 0.000 0.222 344 P C 0.419 177.741 177.300 0.037 0.000 1.147 344 P CA 1.143 64.264 63.100 0.036 0.000 0.790 344 P CB -0.076 31.633 31.700 0.014 0.000 0.780 345 R N -0.934 119.596 120.500 0.050 0.000 2.153 345 R HA 0.074 4.414 4.340 0.001 0.000 0.218 345 R C 1.655 177.985 176.300 0.050 0.000 1.072 345 R CA 0.756 56.889 56.100 0.055 0.000 0.990 345 R CB -0.712 29.643 30.300 0.091 0.000 0.889 345 R HN 0.262 nan 8.270 nan 0.000 0.452 346 L N 0.578 121.834 121.223 0.055 0.000 2.638 346 L HA 0.217 4.557 4.340 0.001 0.000 0.232 346 L C 0.501 177.397 176.870 0.043 0.000 1.099 346 L CA 0.108 54.972 54.840 0.040 0.000 0.883 346 L CB -0.253 41.825 42.059 0.032 0.000 1.136 346 L HN 0.011 nan 8.230 nan 0.000 0.492 347 E N 0.132 120.360 120.200 0.048 0.000 2.502 347 E HA 0.169 4.519 4.350 0.001 0.000 0.261 347 E C 1.132 177.749 176.600 0.029 0.000 0.974 347 E CA 0.904 57.331 56.400 0.044 0.000 0.936 347 E CB 0.179 29.904 29.700 0.042 0.000 0.926 347 E HN 0.398 nan 8.360 nan 0.000 0.459 348 G N 3.116 111.933 108.800 0.028 0.000 2.168 348 G HA2 -0.270 3.691 3.960 0.001 0.000 0.263 348 G HA3 -0.270 3.691 3.960 0.001 0.000 0.263 348 G C 0.008 174.909 174.900 0.002 0.000 0.977 348 G CA 0.173 45.281 45.100 0.013 0.000 0.659 348 G HN 0.335 nan 8.290 nan 0.000 0.533 349 K N 0.507 120.910 120.400 0.005 0.000 2.249 349 K HA 0.454 4.774 4.320 0.001 0.000 0.280 349 K C 0.777 177.359 176.600 -0.030 0.000 1.033 349 K CA -0.365 55.913 56.287 -0.015 0.000 0.946 349 K CB 0.945 33.437 32.500 -0.013 0.000 1.005 349 K HN 0.412 nan 8.250 nan 0.000 0.469 350 R N 0.808 121.273 120.500 -0.058 0.000 2.368 350 R HA 0.446 4.786 4.340 0.001 0.000 0.302 350 R C -0.405 175.817 176.300 -0.130 0.000 1.002 350 R CA -0.713 55.336 56.100 -0.085 0.000 0.929 350 R CB 1.149 31.403 30.300 -0.076 0.000 1.073 350 R HN 0.200 nan 8.270 nan 0.000 0.464 351 V N 3.819 123.626 119.914 -0.179 0.000 2.604 351 V HA 0.430 4.550 4.120 0.001 0.000 0.305 351 V C -0.171 175.797 176.094 -0.211 0.000 1.043 351 V CA -0.766 61.380 62.300 -0.256 0.000 0.888 351 V CB 1.888 33.411 31.823 -0.500 0.000 0.995 351 V HN 0.702 nan 8.190 nan 0.000 0.429 352 M N 4.821 124.325 119.600 -0.160 0.000 2.364 352 M HA 0.650 5.131 4.480 0.001 0.000 0.334 352 M C -1.223 175.086 176.300 0.014 0.000 1.107 352 M CA -0.365 54.926 55.300 -0.015 0.000 0.988 352 M CB 1.853 34.482 32.600 0.049 0.000 1.673 352 M HN 0.481 nan 8.290 nan 0.000 0.441 353 L N 2.401 123.675 121.223 0.085 0.000 2.323 353 L HA 0.611 4.951 4.340 0.001 0.000 0.265 353 L C -1.554 175.461 176.870 0.242 0.000 1.012 353 L CA -0.976 53.897 54.840 0.056 0.000 0.820 353 L CB 2.167 44.148 42.059 -0.130 0.000 1.334 353 L HN 0.600 nan 8.230 nan 0.000 0.427 354 Y N 2.512 122.794 120.300 -0.030 0.000 2.299 354 Y HA 0.519 5.069 4.550 0.001 0.000 0.327 354 Y C -1.243 174.581 175.900 -0.128 0.000 1.187 354 Y CA -0.657 57.383 58.100 -0.100 0.000 1.378 354 Y CB 0.373 38.621 38.460 -0.353 0.000 1.205 354 Y HN 0.383 nan 8.280 nan 0.000 0.441 355 I N 1.437 121.635 120.570 -0.620 0.000 4.039 355 I HA 0.708 4.878 4.170 0.001 0.000 0.245 355 I C 1.200 176.916 176.117 -0.668 0.000 1.135 355 I CA -0.727 60.198 61.300 -0.625 0.000 1.354 355 I CB 0.558 38.218 38.000 -0.567 0.000 1.382 355 I HN 0.499 nan 8.210 nan 0.000 0.455 356 G N -0.295 108.185 108.800 -0.533 0.000 2.632 356 G HA2 0.294 4.254 3.960 0.001 0.000 0.220 356 G HA3 0.294 4.254 3.960 0.001 0.000 0.220 356 G C 0.863 175.191 174.900 -0.954 0.000 1.439 356 G CA 0.686 45.401 45.100 -0.642 0.000 0.934 356 G HN 0.777 nan 8.290 nan 0.000 0.536 357 G N -1.116 107.375 108.800 -0.516 0.000 4.299 357 G HA2 0.433 4.393 3.960 0.001 0.000 0.290 357 G HA3 0.433 4.393 3.960 0.001 0.000 0.290 357 G C 0.316 175.303 174.900 0.144 0.000 1.019 357 G CA 0.228 45.243 45.100 -0.143 0.000 0.790 357 G HN 0.358 nan 8.290 nan 0.000 0.452 358 L N -1.188 120.078 121.223 0.071 0.000 1.998 358 L HA 0.299 4.640 4.340 0.001 0.000 0.194 358 L C 1.918 178.717 176.870 -0.117 0.000 1.198 358 L CA 0.165 54.988 54.840 -0.028 0.000 1.134 358 L CB -0.402 41.590 42.059 -0.112 0.000 2.366 358 L HN 0.059 nan 8.230 nan 0.000 0.504 359 R N 0.898 121.312 120.500 -0.144 0.000 2.159 359 R HA -0.113 4.227 4.340 0.001 0.000 0.237 359 R C -0.942 175.176 176.300 -0.305 0.000 1.131 359 R CA 1.389 57.400 56.100 -0.148 0.000 0.982 359 R CB -1.111 29.130 30.300 -0.099 0.000 0.868 359 R HN 0.396 nan 8.270 nan 0.000 0.453 360 P HA -0.161 nan 4.420 nan 0.000 0.222 360 P C 0.902 177.960 177.300 -0.403 0.000 1.147 360 P CA 1.403 64.099 63.100 -0.673 0.000 0.790 360 P CB -0.009 30.865 31.700 -1.377 0.000 0.780 361 R N -2.889 117.471 120.500 -0.233 0.000 2.257 361 R HA 0.150 4.490 4.340 0.001 0.000 0.195 361 R C 1.981 178.283 176.300 0.002 0.000 0.921 361 R CA 0.203 56.268 56.100 -0.059 0.000 1.069 361 R CB -1.029 29.306 30.300 0.058 0.000 1.115 361 R HN 0.197 nan 8.270 nan 0.000 0.571 362 H N 1.065 120.050 119.070 -0.142 0.000 2.423 362 H HA -0.024 4.533 4.556 0.001 0.000 0.297 362 H C 1.802 176.983 175.328 -0.244 0.000 1.075 362 H CA 1.763 57.749 56.048 -0.104 0.000 1.342 362 H CB 0.651 30.439 29.762 0.043 0.000 1.395 362 H HN 0.215 nan 8.280 nan 0.000 0.530 363 V N -1.519 118.182 119.914 -0.356 0.000 3.623 363 V HA -0.013 4.107 4.120 0.001 0.000 0.271 363 V C 1.994 178.035 176.094 -0.088 0.000 1.248 363 V CA 0.379 62.360 62.300 -0.532 0.000 1.156 363 V CB -0.646 30.877 31.823 -0.499 0.000 0.870 363 V HN 0.259 nan 8.190 nan 0.000 0.453 364 I N 2.337 122.874 120.570 -0.054 0.000 2.163 364 I HA -0.134 4.036 4.170 0.001 0.000 0.243 364 I C 2.790 178.924 176.117 0.029 0.000 1.085 364 I CA 2.023 63.330 61.300 0.012 0.000 1.347 364 I CB -1.041 36.924 38.000 -0.058 0.000 1.044 364 I HN 0.449 nan 8.210 nan 0.000 0.408 365 G N 0.520 109.285 108.800 -0.059 0.000 2.440 365 G HA2 -0.246 3.715 3.960 0.001 0.000 0.218 365 G HA3 -0.246 3.715 3.960 0.001 0.000 0.218 365 G C 1.865 176.718 174.900 -0.078 0.000 1.154 365 G CA 0.884 45.937 45.100 -0.079 0.000 0.767 365 G HN 0.510 nan 8.290 nan 0.000 0.552 366 A N -0.085 122.653 122.820 -0.137 0.000 1.933 366 A HA 0.022 4.342 4.320 0.001 0.000 0.218 366 A C 2.210 179.840 177.584 0.077 0.000 1.175 366 A CA 1.440 53.359 52.037 -0.196 0.000 0.628 366 A CB -0.595 18.019 19.000 -0.644 0.000 0.814 366 A HN 0.430 nan 8.150 nan 0.000 0.444 367 Y N 0.107 120.474 120.300 0.113 0.000 2.242 367 Y HA -0.142 4.408 4.550 0.001 0.000 0.291 367 Y C 2.432 178.413 175.900 0.135 0.000 1.137 367 Y CA 1.755 59.987 58.100 0.221 0.000 1.181 367 Y CB -0.065 38.464 38.460 0.116 0.000 0.989 367 Y HN 0.416 nan 8.280 nan 0.000 0.527 368 E N -0.370 119.961 120.200 0.218 0.000 2.347 368 E HA -0.156 4.194 4.350 0.001 0.000 0.196 368 E C 1.014 177.686 176.600 0.119 0.000 1.008 368 E CA 0.800 57.277 56.400 0.128 0.000 0.852 368 E CB -0.031 29.705 29.700 0.060 0.000 0.783 368 E HN 0.487 nan 8.360 nan 0.000 0.505 369 D N 0.129 120.607 120.400 0.132 0.000 2.363 369 D HA -0.049 4.592 4.640 0.001 0.000 0.220 369 D C 0.952 177.422 176.300 0.282 0.000 0.994 369 D CA 0.517 54.605 54.000 0.147 0.000 0.890 369 D CB 0.431 41.231 40.800 -0.001 0.000 0.906 369 D HN 0.108 nan 8.370 nan 0.000 0.530 370 L N -0.552 120.833 121.223 0.269 0.000 2.857 370 L HA 0.255 4.595 4.340 0.001 0.000 0.249 370 L C 1.342 178.306 176.870 0.157 0.000 1.172 370 L CA 0.232 55.207 54.840 0.224 0.000 0.980 370 L CB -0.216 41.943 42.059 0.166 0.000 1.299 370 L HN 0.029 nan 8.230 nan 0.000 0.535 371 G N 0.769 109.655 108.800 0.144 0.000 2.160 371 G HA2 -0.319 3.642 3.960 0.001 0.000 0.251 371 G HA3 -0.319 3.642 3.960 0.001 0.000 0.251 371 G C 0.328 175.282 174.900 0.091 0.000 1.008 371 G CA 0.392 45.554 45.100 0.102 0.000 0.724 371 G HN 0.340 nan 8.290 nan 0.000 0.514 372 M N 0.389 120.066 119.600 0.127 0.000 2.363 372 M HA 0.516 4.996 4.480 0.001 0.000 0.343 372 M C 0.234 176.577 176.300 0.072 0.000 1.165 372 M CA -0.599 54.767 55.300 0.111 0.000 1.046 372 M CB 1.476 34.200 32.600 0.207 0.000 1.648 372 M HN 0.407 nan 8.290 nan 0.000 0.452 373 E N 1.396 121.598 120.200 0.004 0.000 2.171 373 E HA 0.505 4.855 4.350 0.001 0.000 0.271 373 E C -1.378 175.163 176.600 -0.098 0.000 0.916 373 E CA -1.004 55.377 56.400 -0.032 0.000 0.774 373 E CB 1.530 31.214 29.700 -0.027 0.000 1.128 373 E HN 0.378 nan 8.360 nan 0.000 0.403 374 V N 4.451 124.287 119.914 -0.130 0.000 2.387 374 V HA 0.000 4.121 4.120 0.001 0.000 0.260 374 V C 1.107 177.127 176.094 -0.124 0.000 1.054 374 V CA -0.236 61.952 62.300 -0.187 0.000 0.967 374 V CB 0.622 32.314 31.823 -0.219 0.000 1.036 374 V HN 0.774 nan 8.190 nan 0.000 0.481 375 V N 1.961 121.810 119.914 -0.108 0.000 3.623 375 V HA 0.589 4.709 4.120 0.001 0.000 0.271 375 V C 0.825 176.884 176.094 -0.058 0.000 1.248 375 V CA 0.721 62.977 62.300 -0.074 0.000 1.156 375 V CB -0.364 31.422 31.823 -0.063 0.000 0.870 375 V HN 0.867 nan 8.190 nan 0.000 0.453 376 G N -1.438 107.325 108.800 -0.062 0.000 2.716 376 G HA2 0.512 4.472 3.960 0.001 0.000 0.299 376 G HA3 0.512 4.472 3.960 0.001 0.000 0.299 376 G C -1.219 173.617 174.900 -0.108 0.000 1.450 376 G CA 0.219 45.291 45.100 -0.047 0.000 0.968 376 G HN 0.231 nan 8.290 nan 0.000 0.566 377 T N -0.785 113.550 114.554 -0.365 0.000 2.868 377 T HA 0.902 5.252 4.350 0.001 0.000 0.306 377 T C -0.254 174.054 174.700 -0.653 0.000 1.224 377 T CA 0.363 62.248 62.100 -0.359 0.000 1.012 377 T CB 1.897 70.601 68.868 -0.274 0.000 1.221 377 T HN 1.928 nan 8.240 nan 0.000 0.499 378 G N 1.173 109.791 108.800 -0.304 0.000 2.632 378 G HA2 0.598 4.558 3.960 0.001 0.000 0.292 378 G HA3 0.598 4.558 3.960 0.001 0.000 0.292 378 G C -2.467 172.414 174.900 -0.031 0.000 1.465 378 G CA -0.536 44.572 45.100 0.013 0.000 0.824 378 G HN 0.555 nan 8.290 nan 0.000 0.509 379 Y N -0.250 120.058 120.300 0.013 0.000 2.549 379 Y HA 0.482 5.033 4.550 0.001 0.000 0.339 379 Y C 1.469 177.275 175.900 -0.157 0.000 1.053 379 Y CA -0.759 57.176 58.100 -0.275 0.000 1.105 379 Y CB 2.407 40.703 38.460 -0.272 0.000 1.258 379 Y HN 0.663 nan 8.280 nan 0.000 0.478 380 E N 0.997 121.050 120.200 -0.245 0.000 2.060 380 E HA -0.059 4.292 4.350 0.001 0.000 0.189 380 E C 0.297 177.032 176.600 0.225 0.000 0.974 380 E CA 1.168 57.585 56.400 0.027 0.000 0.808 380 E CB 0.078 29.803 29.700 0.041 0.000 0.768 380 E HN 0.663 nan 8.360 nan 0.000 0.453 381 F N -1.567 118.495 119.950 0.187 0.000 2.825 381 F HA 0.587 5.114 4.527 0.000 0.000 0.322 381 F C 0.149 176.073 175.800 0.206 0.000 1.127 381 F CA -1.046 57.065 58.000 0.185 0.000 1.164 381 F CB -0.229 38.841 39.000 0.115 0.000 1.101 381 F HN -0.211 nan 8.300 nan 0.000 0.529 382 A N 0.958 123.835 122.820 0.096 0.000 2.386 382 A HA 0.510 4.830 4.320 0.001 0.000 0.246 382 A C -0.211 177.573 177.584 0.333 0.000 1.089 382 A CA -0.044 51.987 52.037 -0.009 0.000 0.790 382 A CB 0.085 18.644 19.000 -0.734 0.000 1.042 382 A HN 0.503 nan 8.150 nan 0.000 0.497 383 H N -0.317 118.813 119.070 0.100 0.000 2.585 383 H HA 0.293 4.849 4.556 0.001 0.000 0.338 383 H C 0.772 176.204 175.328 0.172 0.000 1.295 383 H CA -0.982 55.148 56.048 0.137 0.000 1.356 383 H CB 0.276 30.107 29.762 0.114 0.000 1.736 383 H HN 0.746 nan 8.280 nan 0.000 0.629 384 N N 0.193 119.055 118.700 0.269 0.000 2.381 384 N HA -0.144 4.596 4.740 0.001 0.000 0.182 384 N C 0.777 176.390 175.510 0.171 0.000 1.025 384 N CA 1.137 54.301 53.050 0.190 0.000 0.888 384 N CB 0.059 38.590 38.487 0.074 0.000 0.965 384 N HN 0.567 nan 8.380 nan 0.000 0.438 385 D N 0.270 120.771 120.400 0.168 0.000 2.219 385 D HA -0.144 4.497 4.640 0.001 0.000 0.205 385 D C 0.876 177.196 176.300 0.034 0.000 0.970 385 D CA 1.017 55.087 54.000 0.115 0.000 0.851 385 D CB -0.332 40.584 40.800 0.193 0.000 0.943 385 D HN 0.254 nan 8.370 nan 0.000 0.488 386 D N -0.351 120.054 120.400 0.009 0.000 2.162 386 D HA -0.115 4.525 4.640 0.001 0.000 0.203 386 D C 1.638 177.779 176.300 -0.266 0.000 0.967 386 D CA 0.707 54.591 54.000 -0.193 0.000 0.840 386 D CB -0.278 40.243 40.800 -0.466 0.000 0.972 386 D HN 0.294 nan 8.370 nan 0.000 0.482 387 Y N 1.733 121.925 120.300 -0.180 0.000 2.439 387 Y HA -0.107 4.444 4.550 0.001 0.000 0.292 387 Y C 2.012 177.879 175.900 -0.055 0.000 1.130 387 Y CA 0.727 58.762 58.100 -0.108 0.000 1.254 387 Y CB 0.080 38.492 38.460 -0.081 0.000 1.000 387 Y HN -0.124 nan 8.280 nan 0.000 0.554 388 D N -0.217 120.228 120.400 0.075 0.000 2.117 388 D HA -0.115 4.526 4.640 0.001 0.000 0.198 388 D C 1.997 178.290 176.300 -0.013 0.000 0.982 388 D CA 1.165 55.182 54.000 0.029 0.000 0.828 388 D CB -0.222 40.583 40.800 0.009 0.000 0.967 388 D HN 0.325 nan 8.370 nan 0.000 0.464 389 R N -0.025 120.444 120.500 -0.051 0.000 2.189 389 R HA 0.030 4.370 4.340 0.001 0.000 0.218 389 R C 2.095 178.371 176.300 -0.040 0.000 1.074 389 R CA 0.888 56.948 56.100 -0.067 0.000 0.991 389 R CB -0.124 30.108 30.300 -0.113 0.000 0.883 389 R HN 0.077 nan 8.270 nan 0.000 0.457 390 T N 1.022 115.556 114.554 -0.034 0.000 2.857 390 T HA -0.052 4.298 4.350 0.001 0.000 0.266 390 T C 1.774 176.471 174.700 -0.006 0.000 1.048 390 T CA 0.875 62.964 62.100 -0.018 0.000 1.139 390 T CB 0.023 68.865 68.868 -0.044 0.000 0.874 390 T HN 0.052 nan 8.240 nan 0.000 0.455 391 M N 1.914 121.521 119.600 0.011 0.000 2.073 391 M HA -0.101 4.380 4.480 0.001 0.000 0.258 391 M C 1.999 178.292 176.300 -0.012 0.000 1.070 391 M CA 1.717 57.022 55.300 0.008 0.000 1.103 391 M CB -1.296 31.312 32.600 0.014 0.000 1.321 391 M HN 0.251 nan 8.290 nan 0.000 0.405 392 K N 0.019 120.407 120.400 -0.019 0.000 2.032 392 K HA -0.152 4.168 4.320 0.001 0.000 0.209 392 K C 1.995 178.576 176.600 -0.033 0.000 1.048 392 K CA 1.168 57.438 56.287 -0.027 0.000 0.927 392 K CB -0.271 32.209 32.500 -0.034 0.000 0.712 392 K HN 0.298 nan 8.250 nan 0.000 0.441 393 E N 0.495 120.673 120.200 -0.037 0.000 2.051 393 E HA -0.091 4.259 4.350 0.001 0.000 0.192 393 E C 1.148 177.720 176.600 -0.047 0.000 0.991 393 E CA 0.966 57.339 56.400 -0.045 0.000 0.799 393 E CB -0.057 29.615 29.700 -0.047 0.000 0.748 393 E HN 0.255 nan 8.360 nan 0.000 0.449 394 M N 0.033 119.605 119.600 -0.046 0.000 2.159 394 M HA 0.260 4.740 4.480 0.001 0.000 0.293 394 M C 1.093 177.367 176.300 -0.042 0.000 1.186 394 M CA -0.098 55.170 55.300 -0.053 0.000 1.073 394 M CB 0.160 32.724 32.600 -0.060 0.000 1.419 394 M HN -0.058 nan 8.290 nan 0.000 0.490 395 G N -0.061 108.712 108.800 -0.045 0.000 2.563 395 G HA2 0.161 4.121 3.960 0.001 0.000 0.283 395 G HA3 0.161 4.121 3.960 0.001 0.000 0.283 395 G C 0.151 175.031 174.900 -0.032 0.000 1.309 395 G CA -0.246 44.832 45.100 -0.036 0.000 1.022 395 G HN 0.777 nan 8.290 nan 0.000 0.501 396 D N -0.720 119.664 120.400 -0.027 0.000 2.036 396 D HA -0.075 4.565 4.640 0.001 0.000 0.236 396 D C 1.612 177.896 176.300 -0.027 0.000 0.976 396 D CA 1.162 55.148 54.000 -0.024 0.000 0.918 396 D CB -0.033 40.755 40.800 -0.019 0.000 1.094 396 D HN 0.237 nan 8.370 nan 0.000 0.459 397 S N 0.246 115.930 115.700 -0.026 0.000 4.120 397 S HA 0.202 4.673 4.470 0.001 0.000 0.215 397 S C -0.350 174.227 174.600 -0.040 0.000 1.347 397 S CA -0.234 57.949 58.200 -0.030 0.000 0.889 397 S CB -0.749 62.436 63.200 -0.025 0.000 1.585 397 S HN 0.381 nan 8.310 nan 0.000 0.447 398 T N -0.378 114.148 114.554 -0.047 0.000 2.932 398 T HA 0.665 5.015 4.350 0.001 0.000 0.289 398 T C -0.333 174.321 174.700 -0.077 0.000 1.039 398 T CA -1.002 61.061 62.100 -0.062 0.000 1.024 398 T CB 1.148 69.975 68.868 -0.069 0.000 1.090 398 T HN 0.114 nan 8.240 nan 0.000 0.496 399 L N 1.615 122.782 121.223 -0.092 0.000 2.349 399 L HA 0.575 4.916 4.340 0.001 0.000 0.275 399 L C -0.987 175.744 176.870 -0.232 0.000 1.115 399 L CA -0.573 54.196 54.840 -0.119 0.000 0.820 399 L CB 0.631 42.636 42.059 -0.090 0.000 1.135 399 L HN 0.600 nan 8.230 nan 0.000 0.445 400 L N 5.995 127.113 121.223 -0.175 0.000 2.341 400 L HA 0.535 4.875 4.340 0.001 0.000 0.278 400 L C -1.315 175.536 176.870 -0.033 0.000 1.005 400 L CA -0.265 54.465 54.840 -0.184 0.000 0.818 400 L CB 1.481 43.551 42.059 0.019 0.000 1.259 400 L HN 0.521 nan 8.230 nan 0.000 0.418 401 Y N -0.115 120.335 120.300 0.250 0.000 2.332 401 Y HA 0.602 5.153 4.550 0.001 0.000 0.325 401 Y C -0.931 175.212 175.900 0.405 0.000 1.054 401 Y CA -1.457 56.818 58.100 0.291 0.000 1.119 401 Y CB 1.117 39.751 38.460 0.290 0.000 1.168 401 Y HN 0.557 nan 8.280 nan 0.000 0.439 402 D N 2.615 123.326 120.400 0.519 0.000 2.193 402 D HA 0.269 4.910 4.640 0.001 0.000 0.244 402 D C -0.401 176.143 176.300 0.407 0.000 1.064 402 D CA -0.067 54.248 54.000 0.525 0.000 0.845 402 D CB 1.010 42.062 40.800 0.421 0.000 1.148 402 D HN 0.758 nan 8.370 nan 0.000 0.464 403 D N 2.339 122.993 120.400 0.424 0.000 2.737 403 D HA -0.200 4.440 4.640 0.001 0.000 0.238 403 D C -0.904 175.517 176.300 0.202 0.000 1.157 403 D CA 0.263 54.441 54.000 0.296 0.000 0.694 403 D CB -0.661 40.199 40.800 0.100 0.000 1.021 403 D HN 0.146 nan 8.370 nan 0.000 0.420 404 V N 1.248 121.252 119.914 0.150 0.000 2.740 404 V HA 0.361 4.482 4.120 0.001 0.000 0.303 404 V C 1.319 177.359 176.094 -0.090 0.000 1.054 404 V CA 0.697 62.930 62.300 -0.111 0.000 1.106 404 V CB 1.154 32.619 31.823 -0.597 0.000 0.957 404 V HN 0.526 nan 8.190 nan 0.000 0.486 405 T N 3.280 117.826 114.554 -0.013 0.000 2.847 405 T HA 0.425 4.775 4.350 0.001 0.000 0.279 405 T C 1.340 176.067 174.700 0.046 0.000 0.984 405 T CA -0.041 62.091 62.100 0.053 0.000 0.988 405 T CB 1.363 70.317 68.868 0.142 0.000 1.040 405 T HN 0.849 nan 8.240 nan 0.000 0.528 406 G N -0.640 108.218 108.800 0.096 0.000 2.422 406 G HA2 -0.187 3.773 3.960 0.001 0.000 0.218 406 G HA3 -0.187 3.773 3.960 0.001 0.000 0.218 406 G C 1.154 176.112 174.900 0.097 0.000 1.146 406 G CA 0.717 45.884 45.100 0.111 0.000 0.769 406 G HN 0.837 nan 8.290 nan 0.000 0.547 407 Y N 1.362 121.654 120.300 -0.013 0.000 2.114 407 Y HA -0.097 4.454 4.550 0.001 0.000 0.284 407 Y C 2.815 178.602 175.900 -0.187 0.000 1.143 407 Y CA 2.261 60.320 58.100 -0.069 0.000 1.135 407 Y CB -0.202 38.231 38.460 -0.045 0.000 0.980 407 Y HN 0.344 nan 8.280 nan 0.000 0.499 408 E N -0.304 119.821 120.200 -0.125 0.000 2.049 408 E HA -0.290 4.060 4.350 0.001 0.000 0.198 408 E C 2.202 178.273 176.600 -0.882 0.000 1.007 408 E CA 1.762 57.776 56.400 -0.644 0.000 0.809 408 E CB -0.639 28.761 29.700 -0.500 0.000 0.749 408 E HN 0.591 nan 8.360 nan 0.000 0.450 409 F N 1.552 121.149 119.950 -0.590 0.000 2.126 409 F HA -0.249 4.278 4.527 0.001 0.000 0.299 409 F C 2.603 178.309 175.800 -0.156 0.000 1.096 409 F CA 1.213 58.981 58.000 -0.388 0.000 1.255 409 F CB 0.165 39.036 39.000 -0.215 0.000 0.997 409 F HN 0.044 nan 8.300 nan 0.000 0.479 410 E N 0.185 120.367 120.200 -0.030 0.000 2.058 410 E HA -0.244 4.106 4.350 0.001 0.000 0.194 410 E C 1.959 178.456 176.600 -0.171 0.000 0.997 410 E CA 1.503 57.885 56.400 -0.030 0.000 0.801 410 E CB -0.052 29.579 29.700 -0.116 0.000 0.746 410 E HN 0.394 nan 8.360 nan 0.000 0.450 411 E N -0.164 119.817 120.200 -0.365 0.000 2.208 411 E HA -0.133 4.218 4.350 0.001 0.000 0.193 411 E C 1.891 178.438 176.600 -0.088 0.000 0.988 411 E CA 0.541 56.748 56.400 -0.321 0.000 0.828 411 E CB -0.192 29.187 29.700 -0.536 0.000 0.763 411 E HN 0.329 nan 8.360 nan 0.000 0.478 412 F N 0.569 120.428 119.950 -0.151 0.000 2.163 412 F HA -0.099 4.429 4.527 0.001 0.000 0.297 412 F C 2.473 178.188 175.800 -0.143 0.000 1.094 412 F CA 0.199 58.135 58.000 -0.107 0.000 1.290 412 F CB -1.149 37.799 39.000 -0.086 0.000 1.017 412 F HN -0.163 nan 8.300 nan 0.000 0.483 413 V N 0.132 120.020 119.914 -0.043 0.000 2.343 413 V HA -0.290 3.830 4.120 0.001 0.000 0.247 413 V C 2.321 178.352 176.094 -0.105 0.000 1.051 413 V CA 1.750 63.929 62.300 -0.202 0.000 1.036 413 V CB -0.583 30.936 31.823 -0.508 0.000 0.654 413 V HN 0.256 nan 8.190 nan 0.000 0.451 414 K N -0.708 119.653 120.400 -0.065 0.000 2.209 414 K HA -0.193 4.127 4.320 0.001 0.000 0.204 414 K C 2.345 178.927 176.600 -0.030 0.000 1.048 414 K CA 1.285 57.545 56.287 -0.045 0.000 0.940 414 K CB -0.082 32.386 32.500 -0.054 0.000 0.729 414 K HN 0.206 nan 8.250 nan 0.000 0.451 415 R N 0.751 121.245 120.500 -0.010 0.000 2.064 415 R HA 0.149 4.489 4.340 0.001 0.000 0.221 415 R C 1.965 178.257 176.300 -0.013 0.000 1.136 415 R CA 0.807 56.908 56.100 0.001 0.000 0.980 415 R CB -0.123 30.196 30.300 0.032 0.000 0.876 415 R HN 0.042 nan 8.270 nan 0.000 0.437 416 I N 1.048 121.608 120.570 -0.016 0.000 2.226 416 I HA -0.211 3.960 4.170 0.001 0.000 0.245 416 I C 0.172 176.257 176.117 -0.052 0.000 1.100 416 I CA 1.067 62.347 61.300 -0.033 0.000 1.374 416 I CB -0.170 37.811 38.000 -0.031 0.000 1.057 416 I HN 0.190 nan 8.210 nan 0.000 0.413 417 K N 0.202 120.560 120.400 -0.069 0.000 3.393 417 K HA -0.134 4.187 4.320 0.001 0.000 0.272 417 K C -2.221 174.320 176.600 -0.099 0.000 1.004 417 K CA -0.238 56.000 56.287 -0.081 0.000 0.764 417 K CB -1.610 30.857 32.500 -0.056 0.000 1.373 417 K HN 0.329 nan 8.250 nan 0.000 0.458 418 P HA -0.020 nan 4.420 nan 0.000 0.270 418 P C -0.120 177.086 177.300 -0.157 0.000 1.223 418 P CA 0.092 63.107 63.100 -0.142 0.000 0.785 418 P CB 0.615 32.210 31.700 -0.175 0.000 0.923 419 D N -0.024 120.289 120.400 -0.144 0.000 2.333 419 D HA 0.072 4.712 4.640 0.001 0.000 0.208 419 D C 0.399 176.578 176.300 -0.203 0.000 0.984 419 D CA 0.768 54.676 54.000 -0.154 0.000 0.873 419 D CB 0.449 41.185 40.800 -0.106 0.000 0.935 419 D HN 0.155 nan 8.370 nan 0.000 0.521 420 L N 0.984 122.086 121.223 -0.201 0.000 2.506 420 L HA 0.456 4.796 4.340 0.001 0.000 0.257 420 L C -1.761 174.958 176.870 -0.250 0.000 0.964 420 L CA -0.513 54.198 54.840 -0.216 0.000 0.836 420 L CB 2.777 44.751 42.059 -0.142 0.000 1.384 420 L HN -0.235 nan 8.230 nan 0.000 0.410 421 I N 1.786 122.169 120.570 -0.312 0.000 2.689 421 I HA 0.597 4.767 4.170 0.001 0.000 0.299 421 I C 0.125 175.910 176.117 -0.554 0.000 1.059 421 I CA -0.664 60.407 61.300 -0.381 0.000 1.055 421 I CB 2.393 40.138 38.000 -0.424 0.000 1.243 421 I HN 0.733 nan 8.210 nan 0.000 0.425 422 G N 2.811 111.390 108.800 -0.367 0.000 2.782 422 G HA2 0.596 4.556 3.960 0.001 0.000 0.289 422 G HA3 0.596 4.556 3.960 0.001 0.000 0.289 422 G C -0.992 173.827 174.900 -0.136 0.000 1.463 422 G CA -0.140 44.770 45.100 -0.316 0.000 1.019 422 G HN 0.550 nan 8.290 nan 0.000 0.536 423 S N 0.633 116.262 115.700 -0.119 0.000 3.070 423 S HA 0.853 5.323 4.470 0.001 0.000 0.320 423 S C 0.608 175.560 174.600 0.588 0.000 1.215 423 S CA 0.181 58.584 58.200 0.338 0.000 0.956 423 S CB 0.704 64.311 63.200 0.677 0.000 1.337 423 S HN 1.039 nan 8.310 nan 0.000 0.639 424 G N 0.596 109.797 108.800 0.669 0.000 2.532 424 G HA2 0.482 4.443 3.960 0.001 0.000 0.291 424 G HA3 0.482 4.443 3.960 0.001 0.000 0.291 424 G C 0.565 175.653 174.900 0.313 0.000 1.349 424 G CA -0.290 45.109 45.100 0.497 0.000 1.038 424 G HN 0.596 nan 8.290 nan 0.000 0.518 425 I N -0.914 119.739 120.570 0.138 0.000 2.546 425 I HA 0.036 4.206 4.170 0.001 0.000 0.255 425 I C 2.374 178.537 176.117 0.077 0.000 1.163 425 I CA 1.144 62.488 61.300 0.072 0.000 1.457 425 I CB 0.040 38.131 38.000 0.153 0.000 1.092 425 I HN 0.429 nan 8.210 nan 0.000 0.434 426 K N 0.404 120.869 120.400 0.108 0.000 2.486 426 K HA -0.049 4.271 4.320 0.001 0.000 0.194 426 K C 1.184 177.843 176.600 0.098 0.000 1.033 426 K CA 0.949 57.304 56.287 0.114 0.000 1.004 426 K CB 0.081 32.649 32.500 0.114 0.000 0.798 426 K HN 0.476 nan 8.250 nan 0.000 0.495 427 E N -0.071 120.184 120.200 0.091 0.000 2.508 427 E HA -0.025 4.326 4.350 0.001 0.000 0.217 427 E C 1.373 177.766 176.600 -0.345 0.000 0.896 427 E CA -0.005 56.446 56.400 0.084 0.000 1.118 427 E CB 0.043 30.111 29.700 0.613 0.000 1.133 427 E HN 0.062 nan 8.360 nan 0.000 0.526 428 K N 1.282 121.175 120.400 -0.845 0.000 2.000 428 K HA -0.161 4.159 4.320 0.001 0.000 0.218 428 K C 1.624 177.573 176.600 -1.085 0.000 1.053 428 K CA 2.248 57.443 56.287 -1.821 0.000 0.946 428 K CB -0.347 31.288 32.500 -1.441 0.000 0.723 428 K HN 0.053 nan 8.250 nan 0.000 0.446 429 F N 0.719 120.479 119.950 -0.317 0.000 2.604 429 F HA 0.000 4.528 4.527 0.001 0.000 0.298 429 F C 1.950 177.636 175.800 -0.190 0.000 1.131 429 F CA 0.325 58.225 58.000 -0.167 0.000 1.457 429 F CB -0.146 38.797 39.000 -0.094 0.000 1.095 429 F HN 0.044 nan 8.300 nan 0.000 0.574 430 I N -0.819 119.607 120.570 -0.240 0.000 2.193 430 I HA -0.256 3.914 4.170 0.001 0.000 0.240 430 I C 1.897 177.751 176.117 -0.438 0.000 1.084 430 I CA 1.536 62.583 61.300 -0.422 0.000 1.365 430 I CB -0.439 37.095 38.000 -0.776 0.000 1.064 430 I HN 0.036 nan 8.210 nan 0.000 0.410 431 F N 0.507 120.421 119.950 -0.060 0.000 2.456 431 F HA -0.081 4.447 4.527 0.001 0.000 0.298 431 F C 2.569 178.394 175.800 0.043 0.000 1.104 431 F CA 0.500 58.489 58.000 -0.017 0.000 1.435 431 F CB -0.288 38.742 39.000 0.051 0.000 1.078 431 F HN 0.061 nan 8.300 nan 0.000 0.546 432 Q N 0.151 120.074 119.800 0.204 0.000 2.172 432 Q HA -0.148 4.192 4.340 0.001 0.000 0.200 432 Q C 1.904 178.110 176.000 0.343 0.000 0.964 432 Q CA 0.910 56.944 55.803 0.386 0.000 0.855 432 Q CB -0.080 28.888 28.738 0.384 0.000 0.918 432 Q HN 0.140 nan 8.270 nan 0.000 0.444 433 K N 0.600 121.108 120.400 0.180 0.000 2.148 433 K HA -0.015 4.305 4.320 0.001 0.000 0.204 433 K C 1.535 178.207 176.600 0.120 0.000 1.050 433 K CA 1.134 57.495 56.287 0.124 0.000 0.942 433 K CB 0.077 32.606 32.500 0.049 0.000 0.724 433 K HN 0.156 nan 8.250 nan 0.000 0.446 434 M N -1.026 118.644 119.600 0.116 0.000 2.618 434 M HA 0.087 4.567 4.480 0.001 0.000 0.240 434 M C 0.673 177.044 176.300 0.118 0.000 1.123 434 M CA 0.721 56.081 55.300 0.100 0.000 1.060 434 M CB 0.349 33.016 32.600 0.111 0.000 1.535 434 M HN 0.385 nan 8.290 nan 0.000 0.507 435 G N 1.476 110.400 108.800 0.206 0.000 2.159 435 G HA2 -0.248 3.713 3.960 0.001 0.000 0.256 435 G HA3 -0.248 3.713 3.960 0.001 0.000 0.256 435 G C 0.078 174.956 174.900 -0.036 0.000 0.977 435 G CA -0.246 45.004 45.100 0.250 0.000 0.652 435 G HN 0.488 nan 8.290 nan 0.000 0.531 436 I N 1.593 122.066 120.570 -0.161 0.000 2.321 436 I HA 0.297 4.467 4.170 0.001 0.000 0.291 436 I C -2.064 173.631 176.117 -0.703 0.000 0.998 436 I CA -2.455 58.612 61.300 -0.387 0.000 1.227 436 I CB 1.641 39.543 38.000 -0.163 0.000 1.368 436 I HN -0.196 nan 8.210 nan 0.000 0.466 437 P HA -0.051 nan 4.420 nan 0.000 0.261 437 P C -1.037 176.118 177.300 -0.241 0.000 1.173 437 P CA 0.598 63.126 63.100 -0.952 0.000 0.760 437 P CB 0.196 31.456 31.700 -0.732 0.000 0.783 438 F N 4.110 124.000 119.950 -0.100 0.000 2.540 438 F HA 0.548 5.076 4.527 0.001 0.000 0.317 438 F C -0.163 175.677 175.800 0.066 0.000 1.104 438 F CA -0.796 57.208 58.000 0.006 0.000 0.913 438 F CB 1.547 40.583 39.000 0.061 0.000 1.170 438 F HN 0.035 nan 8.300 nan 0.000 0.450 439 R N 3.855 124.233 120.500 -0.203 0.000 2.561 439 R HA 0.264 4.604 4.340 0.001 0.000 0.297 439 R C -1.092 175.206 176.300 -0.003 0.000 0.969 439 R CA -0.844 55.267 56.100 0.018 0.000 0.879 439 R CB 1.849 32.159 30.300 0.016 0.000 1.178 439 R HN 0.751 nan 8.270 nan 0.000 0.445 440 E N 3.400 123.730 120.200 0.216 0.000 2.217 440 E HA 0.088 4.438 4.350 0.001 0.000 0.279 440 E C 0.615 177.362 176.600 0.244 0.000 1.068 440 E CA -0.057 56.493 56.400 0.250 0.000 0.882 440 E CB 0.789 30.562 29.700 0.121 0.000 1.039 440 E HN 0.196 nan 8.360 nan 0.000 0.418 441 M N 2.400 122.124 119.600 0.207 0.000 2.495 441 M HA 0.032 4.512 4.480 0.001 0.000 0.237 441 M C 0.950 177.188 176.300 -0.103 0.000 1.131 441 M CA 0.669 56.119 55.300 0.250 0.000 1.032 441 M CB -0.391 32.298 32.600 0.148 0.000 1.513 441 M HN 0.552 nan 8.290 nan 0.000 0.488 442 H N -0.813 118.164 119.070 -0.155 0.000 2.332 442 H HA 0.168 4.725 4.556 0.001 0.000 0.316 442 H C 1.762 176.748 175.328 -0.570 0.000 1.069 442 H CA 1.642 57.486 56.048 -0.340 0.000 1.484 442 H CB -0.016 29.661 29.762 -0.142 0.000 1.496 442 H HN 0.342 nan 8.280 nan 0.000 0.623 443 S N -0.469 115.120 115.700 -0.185 0.000 2.593 443 S HA -0.073 4.397 4.470 0.001 0.000 0.217 443 S C 0.277 174.746 174.600 -0.218 0.000 0.966 443 S CA -0.236 57.808 58.200 -0.260 0.000 0.914 443 S CB -0.827 62.304 63.200 -0.114 0.000 0.776 443 S HN 0.650 nan 8.310 nan 0.000 0.523 444 W N 1.052 122.197 121.300 -0.258 0.000 3.834 444 W HA -0.213 4.447 4.660 0.000 0.000 0.320 444 W C -0.072 176.284 176.519 -0.271 0.000 1.201 444 W CA 0.032 57.135 57.345 -0.404 0.000 0.701 444 W CB -2.324 26.733 29.460 -0.671 0.000 2.264 444 W HN 0.331 nan 8.180 nan 0.000 1.413 445 D N -0.655 119.651 120.400 -0.157 0.000 2.708 445 D HA -0.256 4.384 4.640 0.001 0.000 0.236 445 D C 0.236 176.326 176.300 -0.351 0.000 1.146 445 D CA 2.264 56.007 54.000 -0.429 0.000 0.662 445 D CB -1.428 39.346 40.800 -0.042 0.000 1.059 445 D HN 0.675 nan 8.370 nan 0.000 0.428 446 Y N -3.258 117.147 120.300 0.176 0.000 4.409 446 Y HA -0.329 4.222 4.550 0.000 0.000 0.228 446 Y C 1.450 177.451 175.900 0.168 0.000 1.108 446 Y CA 0.766 58.961 58.100 0.159 0.000 1.955 446 Y CB -2.109 36.443 38.460 0.152 0.000 1.615 446 Y HN 0.224 nan 8.280 nan 0.000 0.665 447 S N -0.364 115.460 115.700 0.207 0.000 3.798 447 S HA 0.740 5.210 4.470 0.001 0.000 0.185 447 S C 1.115 175.810 174.600 0.159 0.000 0.882 447 S CA 0.710 59.028 58.200 0.195 0.000 1.488 447 S CB 0.491 63.818 63.200 0.211 0.000 0.639 447 S HN 1.617 nan 8.310 nan 0.000 0.687 448 G N 1.155 110.004 108.800 0.083 0.000 2.846 448 G HA2 -0.114 3.847 3.960 0.001 0.000 0.660 448 G HA3 -0.114 3.847 3.960 0.001 0.000 0.660 448 G C -3.104 171.868 174.900 0.121 0.000 1.464 448 G CA -0.538 44.563 45.100 0.002 0.000 0.891 448 G HN 0.580 nan 8.290 nan 0.000 0.552 449 P HA 0.321 nan 4.420 nan 0.000 0.272 449 P C 0.165 177.548 177.300 0.138 0.000 1.240 449 P CA 0.006 63.147 63.100 0.067 0.000 0.791 449 P CB 0.269 32.028 31.700 0.098 0.000 0.978 450 Y N -2.256 117.833 120.300 -0.351 0.000 2.471 450 Y HA 0.131 4.681 4.550 0.000 0.000 0.249 450 Y C 1.035 176.880 175.900 -0.092 0.000 1.116 450 Y CA -0.296 57.596 58.100 -0.347 0.000 1.240 450 Y CB 0.495 38.457 38.460 -0.830 0.000 1.251 450 Y HN 0.392 nan 8.280 nan 0.000 0.527 451 H N 0.178 119.197 119.070 -0.086 0.000 2.511 451 H HA 0.413 4.969 4.556 0.001 0.000 0.346 451 H C 0.689 175.925 175.328 -0.153 0.000 1.128 451 H CA 0.155 56.065 56.048 -0.231 0.000 1.342 451 H CB 1.223 30.839 29.762 -0.242 0.000 1.470 451 H HN 0.404 nan 8.280 nan 0.000 0.546 452 G N 1.124 109.819 108.800 -0.175 0.000 2.681 452 G HA2 -0.301 3.660 3.960 0.001 0.000 0.220 452 G HA3 -0.301 3.660 3.960 0.001 0.000 0.220 452 G C 0.134 174.823 174.900 -0.351 0.000 1.353 452 G CA 0.071 44.898 45.100 -0.454 0.000 0.872 452 G HN 0.561 nan 8.290 nan 0.000 0.557 453 F N -0.191 119.616 119.950 -0.237 0.000 2.098 453 F HA 0.048 4.575 4.527 0.000 0.000 0.294 453 F C 2.680 178.558 175.800 0.130 0.000 1.107 453 F CA 1.522 59.484 58.000 -0.064 0.000 1.234 453 F CB -0.166 38.741 39.000 -0.155 0.000 1.002 453 F HN 0.399 nan 8.300 nan 0.000 0.472 454 D N 0.041 120.615 120.400 0.290 0.000 2.178 454 D HA -0.123 4.518 4.640 0.001 0.000 0.201 454 D C 2.395 178.807 176.300 0.187 0.000 0.980 454 D CA 1.347 55.498 54.000 0.251 0.000 0.842 454 D CB -0.854 40.080 40.800 0.223 0.000 0.948 454 D HN 0.318 nan 8.370 nan 0.000 0.472 455 G N -0.227 108.663 108.800 0.150 0.000 2.422 455 G HA2 -0.251 3.709 3.960 0.001 0.000 0.218 455 G HA3 -0.251 3.709 3.960 0.001 0.000 0.218 455 G C 1.399 176.363 174.900 0.106 0.000 1.140 455 G CA 0.057 45.230 45.100 0.123 0.000 0.775 455 G HN 0.238 nan 8.290 nan 0.000 0.545 456 F N 2.510 122.460 119.950 -0.000 0.000 2.234 456 F HA 0.140 4.667 4.527 0.000 0.000 0.299 456 F C 2.604 178.435 175.800 0.052 0.000 1.087 456 F CA 0.808 58.811 58.000 0.005 0.000 1.340 456 F CB -0.203 38.817 39.000 0.034 0.000 1.031 456 F HN 0.212 nan 8.300 nan 0.000 0.500 457 A N 0.609 123.409 122.820 -0.034 0.000 1.898 457 A HA -0.103 4.217 4.320 0.001 0.000 0.216 457 A C 2.272 179.720 177.584 -0.226 0.000 1.181 457 A CA 1.861 53.828 52.037 -0.116 0.000 0.620 457 A CB -1.080 17.970 19.000 0.083 0.000 0.819 457 A HN 0.452 nan 8.150 nan 0.000 0.442 458 I N -1.851 118.632 120.570 -0.144 0.000 2.252 458 I HA -0.174 3.996 4.170 0.001 0.000 0.245 458 I C 2.317 178.182 176.117 -0.420 0.000 1.102 458 I CA 1.313 62.514 61.300 -0.166 0.000 1.385 458 I CB -0.390 37.621 38.000 0.017 0.000 1.064 458 I HN 0.421 nan 8.210 nan 0.000 0.414 459 F N 2.157 121.616 119.950 -0.818 0.000 2.095 459 F HA -0.286 4.242 4.527 0.001 0.000 0.298 459 F C 2.445 177.720 175.800 -0.875 0.000 1.104 459 F CA 1.611 58.846 58.000 -1.274 0.000 1.232 459 F CB -0.362 37.975 39.000 -1.105 0.000 0.987 459 F HN 0.009 nan 8.300 nan 0.000 0.475 460 A N 0.792 123.080 122.820 -0.888 0.000 1.898 460 A HA -0.142 4.178 4.320 0.001 0.000 0.216 460 A C 2.446 179.332 177.584 -1.163 0.000 1.181 460 A CA 1.350 52.800 52.037 -0.978 0.000 0.620 460 A CB -0.821 17.657 19.000 -0.869 0.000 0.819 460 A HN 0.407 nan 8.150 nan 0.000 0.442 461 R N 0.125 119.970 120.500 -1.091 0.000 2.083 461 R HA -0.169 4.172 4.340 0.001 0.000 0.237 461 R C 1.153 177.139 176.300 -0.523 0.000 1.137 461 R CA 2.101 57.656 56.100 -0.909 0.000 0.951 461 R CB -0.523 29.527 30.300 -0.417 0.000 0.851 461 R HN 0.499 nan 8.270 nan 0.000 0.434 462 D N -0.085 120.045 120.400 -0.450 0.000 2.183 462 D HA -0.112 4.528 4.640 0.001 0.000 0.203 462 D C 1.924 178.042 176.300 -0.303 0.000 0.969 462 D CA 0.776 54.611 54.000 -0.275 0.000 0.842 462 D CB -0.071 40.634 40.800 -0.158 0.000 0.957 462 D HN 0.165 nan 8.370 nan 0.000 0.484 463 M N 0.565 119.849 119.600 -0.526 0.000 2.254 463 M HA -0.074 4.406 4.480 0.001 0.000 0.265 463 M C 1.665 177.814 176.300 -0.251 0.000 1.066 463 M CA 1.048 56.086 55.300 -0.438 0.000 1.123 463 M CB -0.747 31.436 32.600 -0.695 0.000 1.388 463 M HN -0.004 nan 8.290 nan 0.000 0.425 464 D N 0.671 120.907 120.400 -0.273 0.000 2.120 464 D HA -0.148 4.493 4.640 0.001 0.000 0.202 464 D C 2.121 178.410 176.300 -0.019 0.000 0.972 464 D CA 1.381 55.318 54.000 -0.106 0.000 0.837 464 D CB -0.120 40.647 40.800 -0.055 0.000 0.989 464 D HN 0.417 nan 8.370 nan 0.000 0.469 465 M N -1.042 118.535 119.600 -0.038 0.000 2.213 465 M HA -0.057 4.423 4.480 0.001 0.000 0.263 465 M C 1.579 177.942 176.300 0.105 0.000 1.062 465 M CA 1.685 57.008 55.300 0.039 0.000 1.105 465 M CB -0.412 32.205 32.600 0.028 0.000 1.385 465 M HN -0.171 nan 8.290 nan 0.000 0.417 466 T N 1.205 115.819 114.554 0.101 0.000 2.939 466 T HA 0.129 4.479 4.350 0.001 0.000 0.254 466 T C 1.791 176.648 174.700 0.262 0.000 1.041 466 T CA 0.982 63.218 62.100 0.226 0.000 1.142 466 T CB -0.106 68.857 68.868 0.158 0.000 0.874 466 T HN 0.400 nan 8.240 nan 0.000 0.452 467 L N 1.286 122.556 121.223 0.079 0.000 2.044 467 L HA 0.042 4.382 4.340 0.001 0.000 0.205 467 L C 1.407 178.343 176.870 0.110 0.000 1.075 467 L CA 1.205 56.048 54.840 0.004 0.000 0.747 467 L CB -0.103 41.931 42.059 -0.041 0.000 0.903 467 L HN 0.149 nan 8.230 nan 0.000 0.435 468 N N 0.591 119.365 118.700 0.124 0.000 2.362 468 N HA -0.025 4.715 4.740 0.001 0.000 0.211 468 N C -0.149 175.470 175.510 0.181 0.000 1.170 468 N CA 0.064 53.197 53.050 0.138 0.000 0.828 468 N CB -0.460 38.081 38.487 0.090 0.000 1.034 468 N HN 0.375 nan 8.380 nan 0.000 0.475 469 N N 2.175 121.048 118.700 0.288 0.000 2.518 469 N HA 0.039 4.779 4.740 0.001 0.000 0.266 469 N C -1.464 174.118 175.510 0.121 0.000 1.196 469 N CA -1.088 52.076 53.050 0.190 0.000 0.947 469 N CB 1.691 40.275 38.487 0.162 0.000 1.098 469 N HN 0.009 nan 8.380 nan 0.000 0.450 470 P HA -0.059 nan 4.420 nan 0.000 0.226 470 P C 1.529 178.780 177.300 -0.082 0.000 1.153 470 P CA 0.754 63.852 63.100 -0.002 0.000 0.777 470 P CB -0.204 31.492 31.700 -0.007 0.000 0.794 471 C N -3.416 115.732 119.300 -0.254 0.000 2.432 471 C HA 0.040 4.500 4.460 0.001 0.000 0.280 471 C C 2.417 177.167 174.990 -0.400 0.000 1.353 471 C CA -0.481 58.290 59.018 -0.412 0.000 1.766 471 C CB -2.430 24.920 27.740 -0.650 0.000 1.924 471 C HN 0.200 nan 8.230 nan 0.000 0.509 472 W N 1.760 123.077 121.300 0.028 0.000 2.611 472 W HA 0.091 4.751 4.660 0.000 0.000 0.251 472 W C 2.229 178.754 176.519 0.011 0.000 1.265 472 W CA 0.187 57.546 57.345 0.023 0.000 1.295 472 W CB -0.251 29.225 29.460 0.027 0.000 1.129 472 W HN 0.250 nan 8.180 nan 0.000 0.630 473 K N 0.567 121.060 120.400 0.155 0.000 2.404 473 K HA 0.095 4.415 4.320 0.001 0.000 0.194 473 K C 0.765 177.388 176.600 0.038 0.000 1.023 473 K CA 0.553 56.896 56.287 0.093 0.000 1.094 473 K CB 0.126 32.666 32.500 0.067 0.000 0.841 473 K HN 0.247 nan 8.250 nan 0.000 0.523 474 K N 0.843 121.250 120.400 0.011 0.000 2.478 474 K HA 0.275 4.595 4.320 0.001 0.000 0.205 474 K C 1.131 177.709 176.600 -0.036 0.000 1.033 474 K CA -0.159 56.113 56.287 -0.025 0.000 1.091 474 K CB 0.547 33.021 32.500 -0.042 0.000 0.844 474 K HN -0.086 nan 8.250 nan 0.000 0.507 475 L N 0.568 121.790 121.223 -0.001 0.000 2.291 475 L HA -0.005 4.335 4.340 0.001 0.000 0.214 475 L C 0.991 177.833 176.870 -0.048 0.000 1.120 475 L CA 1.262 56.102 54.840 0.001 0.000 0.799 475 L CB -0.260 41.844 42.059 0.076 0.000 0.925 475 L HN 0.361 nan 8.230 nan 0.000 0.446 476 Q N 0.415 120.172 119.800 -0.071 0.000 2.256 476 Q HA 0.508 4.848 4.340 0.001 0.000 0.257 476 Q C -0.514 175.339 176.000 -0.246 0.000 0.936 476 Q CA -0.456 55.265 55.803 -0.136 0.000 0.903 476 Q CB 2.173 30.851 28.738 -0.100 0.000 1.263 476 Q HN 0.217 nan 8.270 nan 0.000 0.440 477 A N 5.324 127.890 122.820 -0.424 0.000 2.450 477 A HA 0.264 4.585 4.320 0.001 0.000 0.255 477 A C -1.729 175.446 177.584 -0.681 0.000 1.096 477 A CA -1.166 50.370 52.037 -0.835 0.000 0.778 477 A CB 0.071 18.201 19.000 -1.451 0.000 1.031 477 A HN 0.732 nan 8.150 nan 0.000 0.494 478 P HA -0.118 nan 4.420 nan 0.000 0.228 478 P C 0.529 177.834 177.300 0.007 0.000 1.151 478 P CA 1.372 64.397 63.100 -0.125 0.000 0.770 478 P CB -0.078 31.655 31.700 0.054 0.000 0.786 479 W N -0.948 120.358 121.300 0.010 0.000 3.127 479 W HA 0.417 5.078 4.660 0.001 0.000 0.344 479 W C -0.401 176.124 176.519 0.010 0.000 1.151 479 W CA -0.370 56.981 57.345 0.009 0.000 1.765 479 W CB -0.170 29.294 29.460 0.007 0.000 1.085 479 W HN -0.264 nan 8.180 nan 0.000 0.596 480 E N 0.000 119.986 120.200 -0.357 0.000 2.725 480 E HA 0.000 4.350 4.350 0.001 0.000 0.291 480 E CA 0.000 56.246 56.400 -0.257 0.000 0.976 480 E CB 0.000 29.666 29.700 -0.057 0.000 0.812 480 E HN 0.000 nan 8.360 nan 0.000 0.440