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 3mmp_1_G DATA FIRST_RESID 7 DATA SEQUENCE SRNSLSAQLR RAANTRIEVE GNLALSIAND LLLAYGQSPF NSEAECISFS DATA SEQUENCE PRFDGTPDDF RINYLKAEIM SKYDDFSLGI DTEAVAWEKF LAAEAECALT DATA SEQUENCE NARLYRPXXX XXFNFSLGES CIHMARRKIA KLIGDVPSVE GMLRHCRFSG DATA SEQUENCE GATTTNNRSY GHPSFKFALP QACTPRALKY VLALRASTHF DTRISDISPF DATA SEQUENCE NKAVTVPKNS KTDRCIAIEP GWNMFFQLGI GGILRDRLRC WGIDLNDQTI DATA SEQUENCE NQRRAHEGSV TNNLATVDLS AASDSISLAL CELLLPPGWF EVLMDLRSPK DATA SEQUENCE GRLPDGSVVT YEKISSMGNG YTFELESLIF ASLARSVCEI LDLDSSEVTV DATA SEQUENCE YGDDIILPSC AVPALREVFK YVGFTTNTKK TFSEGPFRES CGKHYYSGVD DATA SEQUENCE VTPFYIRHRI VSPADLILVL NNLYRWATID GVWDPRAHSV YLKYRKLLPK DATA SEQUENCE QLQRNTIPDG YGDGALVGSV LINPFAKNRG WIRYVPVITD HTRDRERAEL DATA SEQUENCE GSYLYDLFSR CLSXXXXXXX XXXXXXCDSA DLFAIDQLIC RSNPTKISRS DATA SEQUENCE TGKFDIQYIA CSSRVLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 S HA 0.000 nan 4.470 nan 0.000 0.327 7 S C 0.000 174.603 174.600 0.005 0.000 1.055 7 S CA 0.000 58.202 58.200 0.004 0.000 1.107 7 S CB 0.000 63.201 63.200 0.002 0.000 0.593 8 R N 0.163 120.667 120.500 0.007 0.000 2.928 8 R HA 0.441 4.783 4.340 0.004 0.000 0.248 8 R C -1.541 174.768 176.300 0.015 0.000 1.796 8 R CA -0.629 55.477 56.100 0.010 0.000 1.477 8 R CB -0.431 29.874 30.300 0.008 0.000 1.484 8 R HN -0.013 nan 8.270 nan 0.000 0.623 9 N N 2.072 120.783 118.700 0.018 0.000 3.245 9 N HA 0.012 4.754 4.740 0.004 0.000 0.296 9 N C -0.166 175.366 175.510 0.037 0.000 1.254 9 N CA 0.049 53.113 53.050 0.024 0.000 1.190 9 N CB 1.094 39.594 38.487 0.023 0.000 1.460 9 N HN 0.694 nan 8.380 nan 0.000 0.538 10 S N -0.495 115.229 115.700 0.039 0.000 2.572 10 S HA 0.084 4.557 4.470 0.004 0.000 0.267 10 S C 1.768 176.416 174.600 0.080 0.000 1.361 10 S CA -0.496 57.738 58.200 0.056 0.000 1.009 10 S CB 0.817 64.047 63.200 0.051 0.000 0.888 10 S HN 0.378 nan 8.310 nan 0.000 0.553 11 L N 1.179 122.476 121.223 0.123 0.000 2.081 11 L HA -0.127 4.215 4.340 0.004 0.000 0.212 11 L C 3.039 179.965 176.870 0.092 0.000 1.080 11 L CA 1.696 56.636 54.840 0.167 0.000 0.754 11 L CB -0.987 41.264 42.059 0.318 0.000 0.893 11 L HN 0.899 nan 8.230 nan 0.000 0.433 12 S N -0.430 115.348 115.700 0.130 0.000 2.383 12 S HA -0.139 4.334 4.470 0.004 0.000 0.227 12 S C 2.100 176.723 174.600 0.039 0.000 1.026 12 S CA 1.198 59.468 58.200 0.116 0.000 0.981 12 S CB -0.043 63.290 63.200 0.222 0.000 0.818 12 S HN 0.450 nan 8.310 nan 0.000 0.472 13 A N 0.730 123.573 122.820 0.039 0.000 1.897 13 A HA -0.044 4.278 4.320 0.004 0.000 0.215 13 A C 2.094 179.676 177.584 -0.003 0.000 1.181 13 A CA 1.342 53.389 52.037 0.016 0.000 0.620 13 A CB -0.758 18.255 19.000 0.020 0.000 0.821 13 A HN 0.653 nan 8.150 nan 0.000 0.443 14 Q N -0.332 119.469 119.800 0.001 0.000 2.077 14 Q HA -0.167 4.175 4.340 0.004 0.000 0.206 14 Q C 2.071 178.032 176.000 -0.065 0.000 0.989 14 Q CA 1.677 57.471 55.803 -0.015 0.000 0.853 14 Q CB -0.370 28.377 28.738 0.015 0.000 0.907 14 Q HN 0.676 nan 8.270 nan 0.000 0.418 15 L N -0.077 121.079 121.223 -0.112 0.000 2.056 15 L HA -0.178 4.164 4.340 0.004 0.000 0.207 15 L C 2.662 179.458 176.870 -0.122 0.000 1.078 15 L CA 1.135 55.863 54.840 -0.186 0.000 0.749 15 L CB -0.401 41.492 42.059 -0.276 0.000 0.901 15 L HN 0.206 nan 8.230 nan 0.000 0.433 16 R N 0.572 121.028 120.500 -0.072 0.000 2.081 16 R HA -0.213 4.129 4.340 0.004 0.000 0.235 16 R C 2.476 178.758 176.300 -0.029 0.000 1.131 16 R CA 1.603 57.682 56.100 -0.035 0.000 0.960 16 R CB -0.166 30.128 30.300 -0.010 0.000 0.856 16 R HN 0.204 nan 8.270 nan 0.000 0.436 17 R N 0.169 120.649 120.500 -0.033 0.000 2.070 17 R HA -0.131 4.211 4.340 0.004 0.000 0.233 17 R C 2.149 178.425 176.300 -0.040 0.000 1.137 17 R CA 1.740 57.824 56.100 -0.028 0.000 0.945 17 R CB -0.460 29.827 30.300 -0.022 0.000 0.845 17 R HN 0.311 nan 8.270 nan 0.000 0.430 18 A N 0.891 123.675 122.820 -0.061 0.000 1.892 18 A HA -0.164 4.158 4.320 0.004 0.000 0.218 18 A C 2.424 179.946 177.584 -0.104 0.000 1.188 18 A CA 1.966 53.956 52.037 -0.079 0.000 0.631 18 A CB -1.034 17.907 19.000 -0.099 0.000 0.822 18 A HN 0.596 nan 8.150 nan 0.000 0.447 19 A N -0.451 122.297 122.820 -0.119 0.000 2.019 19 A HA -0.141 4.181 4.320 0.004 0.000 0.219 19 A C 1.704 179.188 177.584 -0.166 0.000 1.164 19 A CA 1.502 53.428 52.037 -0.186 0.000 0.644 19 A CB -0.470 18.443 19.000 -0.145 0.000 0.805 19 A HN 0.572 nan 8.150 nan 0.000 0.449 20 N N 0.170 118.854 118.700 -0.028 0.000 2.322 20 N HA 0.000 4.742 4.740 0.004 0.000 0.194 20 N C 0.490 176.014 175.510 0.023 0.000 1.126 20 N CA 0.844 53.933 53.050 0.065 0.000 0.845 20 N CB 0.102 38.638 38.487 0.080 0.000 0.976 20 N HN 0.678 nan 8.380 nan 0.000 0.475 21 T N -1.435 113.102 114.554 -0.029 0.000 2.816 21 T HA 0.360 4.712 4.350 0.004 0.000 0.282 21 T C 0.499 175.182 174.700 -0.028 0.000 0.993 21 T CA -0.542 61.543 62.100 -0.024 0.000 0.994 21 T CB 1.725 70.573 68.868 -0.035 0.000 1.025 21 T HN -0.088 nan 8.240 nan 0.000 0.529 22 R N 0.640 121.132 120.500 -0.013 0.000 2.474 22 R HA 0.423 4.765 4.340 0.004 0.000 0.295 22 R C -0.143 176.147 176.300 -0.016 0.000 0.980 22 R CA -0.985 55.109 56.100 -0.009 0.000 0.934 22 R CB 1.080 31.385 30.300 0.009 0.000 1.101 22 R HN 0.583 nan 8.270 nan 0.000 0.469 23 I N 2.749 123.310 120.570 -0.015 0.000 2.505 23 I HA 0.032 4.204 4.170 0.004 0.000 0.287 23 I C 0.291 176.412 176.117 0.006 0.000 1.104 23 I CA 0.287 61.582 61.300 -0.007 0.000 1.387 23 I CB 0.485 38.484 38.000 -0.002 0.000 1.404 23 I HN 0.450 nan 8.210 nan 0.000 0.528 24 E N 5.404 125.607 120.200 0.004 0.000 2.081 24 E HA 0.573 4.925 4.350 0.004 0.000 0.276 24 E C -1.200 175.408 176.600 0.014 0.000 0.950 24 E CA -0.199 56.206 56.400 0.008 0.000 0.776 24 E CB 1.216 30.917 29.700 0.002 0.000 1.094 24 E HN 0.361 nan 8.360 nan 0.000 0.402 25 V N 3.839 123.766 119.914 0.022 0.000 3.048 25 V HA 0.212 4.335 4.120 0.004 0.000 0.303 25 V C -1.149 174.963 176.094 0.029 0.000 1.214 25 V CA -1.003 61.314 62.300 0.029 0.000 0.984 25 V CB 2.262 34.113 31.823 0.047 0.000 1.054 25 V HN 0.720 nan 8.190 nan 0.000 0.430 26 E N 3.838 124.054 120.200 0.027 0.000 2.316 26 E HA 0.585 4.938 4.350 0.004 0.000 0.275 26 E C 0.335 176.955 176.600 0.034 0.000 1.029 26 E CA 0.727 57.143 56.400 0.027 0.000 0.871 26 E CB 0.975 30.687 29.700 0.020 0.000 1.022 26 E HN 1.543 nan 8.360 nan 0.000 0.418 27 G N 3.157 111.977 108.800 0.034 0.000 2.632 27 G HA2 -0.281 3.681 3.960 0.004 0.000 0.224 27 G HA3 -0.281 3.681 3.960 0.004 0.000 0.224 27 G C -0.461 174.463 174.900 0.039 0.000 1.341 27 G CA -0.232 44.891 45.100 0.037 0.000 0.880 27 G HN 0.787 nan 8.290 nan 0.000 0.566 28 N N 0.813 119.531 118.700 0.030 0.000 2.439 28 N HA 0.294 5.036 4.740 0.004 0.000 0.243 28 N C 1.466 176.958 175.510 -0.030 0.000 1.088 28 N CA -0.247 52.806 53.050 0.005 0.000 0.940 28 N CB 0.987 39.462 38.487 -0.020 0.000 1.180 28 N HN 0.718 nan 8.380 nan 0.000 0.505 29 L N 5.331 126.549 121.223 -0.008 0.000 2.012 29 L HA -0.081 4.261 4.340 0.004 0.000 0.210 29 L C 2.053 178.851 176.870 -0.120 0.000 1.073 29 L CA 2.152 56.981 54.840 -0.018 0.000 0.748 29 L CB -1.086 40.985 42.059 0.020 0.000 0.891 29 L HN 0.597 nan 8.230 nan 0.000 0.431 30 A N -0.523 122.205 122.820 -0.154 0.000 1.873 30 A HA -0.269 4.053 4.320 0.004 0.000 0.218 30 A C 2.278 179.695 177.584 -0.279 0.000 1.193 30 A CA 2.250 54.138 52.037 -0.249 0.000 0.629 30 A CB -1.226 17.530 19.000 -0.406 0.000 0.826 30 A HN 0.493 nan 8.150 nan 0.000 0.447 31 L N 0.027 121.077 121.223 -0.288 0.000 2.042 31 L HA -0.110 4.232 4.340 0.004 0.000 0.210 31 L C 2.551 179.372 176.870 -0.081 0.000 1.076 31 L CA 2.546 57.288 54.840 -0.162 0.000 0.749 31 L CB -0.822 41.176 42.059 -0.103 0.000 0.893 31 L HN 0.327 nan 8.230 nan 0.000 0.432 32 S N -0.498 115.154 115.700 -0.080 0.000 2.368 32 S HA -0.101 4.372 4.470 0.004 0.000 0.224 32 S C 1.977 176.510 174.600 -0.112 0.000 1.029 32 S CA 1.554 59.741 58.200 -0.021 0.000 0.988 32 S CB -0.342 62.901 63.200 0.072 0.000 0.838 32 S HN 0.466 nan 8.310 nan 0.000 0.462 33 I N 1.637 121.990 120.570 -0.361 0.000 2.179 33 I HA -0.226 3.946 4.170 0.004 0.000 0.242 33 I C 2.685 178.669 176.117 -0.221 0.000 1.088 33 I CA 1.197 62.161 61.300 -0.560 0.000 1.357 33 I CB -0.468 37.166 38.000 -0.610 0.000 1.051 33 I HN 0.271 nan 8.210 nan 0.000 0.409 34 A N 0.674 123.398 122.820 -0.161 0.000 1.930 34 A HA -0.189 4.134 4.320 0.004 0.000 0.217 34 A C 2.048 179.574 177.584 -0.097 0.000 1.175 34 A CA 1.744 53.711 52.037 -0.118 0.000 0.627 34 A CB -0.579 18.386 19.000 -0.058 0.000 0.815 34 A HN 0.381 nan 8.150 nan 0.000 0.443 35 N N 0.404 119.075 118.700 -0.050 0.000 2.188 35 N HA -0.102 4.641 4.740 0.004 0.000 0.184 35 N C 1.030 176.517 175.510 -0.038 0.000 1.018 35 N CA 1.331 54.343 53.050 -0.064 0.000 0.858 35 N CB -0.345 38.136 38.487 -0.010 0.000 0.989 35 N HN 0.391 nan 8.380 nan 0.000 0.426 36 D N 0.170 120.581 120.400 0.019 0.000 2.178 36 D HA -0.071 4.571 4.640 0.004 0.000 0.202 36 D C 1.913 178.265 176.300 0.087 0.000 0.974 36 D CA 0.227 54.277 54.000 0.083 0.000 0.841 36 D CB -0.041 40.887 40.800 0.213 0.000 0.953 36 D HN 0.110 nan 8.370 nan 0.000 0.478 37 L N 0.496 121.753 121.223 0.056 0.000 2.027 37 L HA -0.054 4.289 4.340 0.004 0.000 0.206 37 L C 2.221 179.155 176.870 0.106 0.000 1.074 37 L CA 1.256 56.161 54.840 0.108 0.000 0.745 37 L CB -0.552 41.509 42.059 0.003 0.000 0.898 37 L HN 0.003 nan 8.230 nan 0.000 0.433 38 L N -1.414 119.770 121.223 -0.065 0.000 2.042 38 L HA -0.267 4.075 4.340 0.004 0.000 0.210 38 L C 2.508 179.367 176.870 -0.019 0.000 1.076 38 L CA 1.293 56.060 54.840 -0.121 0.000 0.749 38 L CB -0.662 41.201 42.059 -0.326 0.000 0.893 38 L HN 0.277 nan 8.230 nan 0.000 0.432 39 L N -0.287 120.925 121.223 -0.018 0.000 2.046 39 L HA -0.211 4.131 4.340 0.004 0.000 0.208 39 L C 2.836 179.729 176.870 0.038 0.000 1.077 39 L CA 1.217 56.056 54.840 -0.001 0.000 0.747 39 L CB -0.711 41.347 42.059 -0.003 0.000 0.896 39 L HN 0.267 nan 8.230 nan 0.000 0.432 40 A N -1.246 121.625 122.820 0.084 0.000 2.070 40 A HA -0.196 4.126 4.320 0.004 0.000 0.220 40 A C 1.711 179.287 177.584 -0.013 0.000 1.159 40 A CA 1.251 53.319 52.037 0.052 0.000 0.656 40 A CB -0.584 18.471 19.000 0.093 0.000 0.800 40 A HN 0.480 nan 8.150 nan 0.000 0.453 41 Y N -1.108 119.201 120.300 0.015 0.000 2.458 41 Y HA 0.352 4.904 4.550 0.004 0.000 0.256 41 Y C 1.678 177.573 175.900 -0.008 0.000 1.159 41 Y CA 0.323 58.437 58.100 0.023 0.000 1.261 41 Y CB 0.359 38.844 38.460 0.042 0.000 1.119 41 Y HN 0.425 nan 8.280 nan 0.000 0.524 42 G N 0.380 109.227 108.800 0.078 0.000 2.147 42 G HA2 -0.224 3.738 3.960 0.004 0.000 0.244 42 G HA3 -0.224 3.738 3.960 0.004 0.000 0.244 42 G C -0.141 174.763 174.900 0.008 0.000 1.005 42 G CA -0.214 44.903 45.100 0.028 0.000 0.713 42 G HN 0.204 nan 8.290 nan 0.000 0.515 43 Q N 0.401 120.191 119.800 -0.015 0.000 2.215 43 Q HA 0.616 4.959 4.340 0.004 0.000 0.256 43 Q C 0.744 176.661 176.000 -0.138 0.000 0.972 43 Q CA 0.051 55.799 55.803 -0.091 0.000 0.889 43 Q CB 1.512 30.152 28.738 -0.163 0.000 1.281 43 Q HN 0.773 nan 8.270 nan 0.000 0.456 44 S N 0.990 116.592 115.700 -0.163 0.000 2.562 44 S HA 0.406 4.879 4.470 0.004 0.000 0.281 44 S C -2.266 172.156 174.600 -0.297 0.000 1.333 44 S CA -0.922 57.175 58.200 -0.172 0.000 1.052 44 S CB 0.119 63.244 63.200 -0.125 0.000 0.884 44 S HN 0.281 nan 8.310 nan 0.000 0.506 45 P HA 0.344 nan 4.420 nan 0.000 0.276 45 P C -0.727 176.389 177.300 -0.307 0.000 1.261 45 P CA -0.818 62.100 63.100 -0.304 0.000 0.800 45 P CB 0.179 31.797 31.700 -0.137 0.000 1.066 46 F N 1.125 120.980 119.950 -0.157 0.000 2.506 46 F HA 0.056 4.585 4.527 0.004 0.000 0.371 46 F C 1.787 177.530 175.800 -0.094 0.000 1.078 46 F CA 0.226 58.139 58.000 -0.144 0.000 1.195 46 F CB -0.511 38.397 39.000 -0.153 0.000 1.099 46 F HN 0.286 nan 8.300 nan 0.000 0.548 47 N N 0.406 119.171 118.700 0.107 0.000 2.244 47 N HA -0.098 4.644 4.740 0.004 0.000 0.183 47 N C 0.093 175.625 175.510 0.036 0.000 1.016 47 N CA 1.050 54.130 53.050 0.050 0.000 0.866 47 N CB -0.246 38.261 38.487 0.033 0.000 0.980 47 N HN 0.460 nan 8.380 nan 0.000 0.430 48 S N -2.145 113.571 115.700 0.026 0.000 2.596 48 S HA 0.341 4.813 4.470 0.004 0.000 0.270 48 S C 0.172 174.698 174.600 -0.123 0.000 1.155 48 S CA -0.952 57.229 58.200 -0.032 0.000 0.827 48 S CB 1.630 64.805 63.200 -0.042 0.000 1.130 48 S HN 0.021 nan 8.310 nan 0.000 0.467 49 E N 0.725 120.821 120.200 -0.174 0.000 2.130 49 E HA -0.191 4.161 4.350 0.004 0.000 0.196 49 E C 2.210 178.457 176.600 -0.589 0.000 0.998 49 E CA 1.453 57.600 56.400 -0.422 0.000 0.806 49 E CB -0.416 29.087 29.700 -0.330 0.000 0.738 49 E HN 0.739 nan 8.360 nan 0.000 0.459 50 A N 1.452 124.070 122.820 -0.338 0.000 1.933 50 A HA -0.265 4.057 4.320 0.004 0.000 0.218 50 A C 2.054 179.500 177.584 -0.230 0.000 1.175 50 A CA 1.819 53.694 52.037 -0.271 0.000 0.628 50 A CB -0.446 18.468 19.000 -0.143 0.000 0.814 50 A HN 0.275 nan 8.150 nan 0.000 0.444 51 E N -0.485 119.613 120.200 -0.170 0.000 2.106 51 E HA -0.175 4.177 4.350 0.004 0.000 0.192 51 E C 1.784 178.265 176.600 -0.199 0.000 0.984 51 E CA 1.532 57.903 56.400 -0.050 0.000 0.806 51 E CB -0.639 29.131 29.700 0.116 0.000 0.750 51 E HN 0.543 nan 8.360 nan 0.000 0.458 52 C N 0.838 119.750 119.300 -0.646 0.000 2.391 52 C HA -0.177 4.285 4.460 0.004 0.000 0.276 52 C C 2.495 177.197 174.990 -0.479 0.000 1.217 52 C CA 1.334 59.709 59.018 -1.073 0.000 1.766 52 C CB -1.209 26.005 27.740 -0.877 0.000 2.046 52 C HN 0.720 nan 8.230 nan 0.000 0.475 53 I N -0.461 119.920 120.570 -0.316 0.000 3.860 53 I HA 0.151 4.324 4.170 0.004 0.000 0.319 53 I C 1.200 177.289 176.117 -0.047 0.000 1.279 53 I CA 0.909 62.127 61.300 -0.137 0.000 1.220 53 I CB -0.267 37.655 38.000 -0.131 0.000 1.027 53 I HN 0.289 nan 8.210 nan 0.000 0.428 54 S N 0.050 115.736 115.700 -0.023 0.000 2.751 54 S HA 0.363 4.835 4.470 0.004 0.000 0.247 54 S C -0.421 174.244 174.600 0.108 0.000 1.103 54 S CA -0.648 57.569 58.200 0.028 0.000 1.090 54 S CB -0.637 62.562 63.200 -0.001 0.000 0.928 54 S HN 0.371 nan 8.310 nan 0.000 0.502 55 F N 2.388 122.341 119.950 0.005 0.000 2.427 55 F HA 0.705 5.234 4.527 0.004 0.000 0.346 55 F C -0.331 175.477 175.800 0.013 0.000 1.120 55 F CA -0.290 57.732 58.000 0.037 0.000 1.033 55 F CB 1.626 40.702 39.000 0.126 0.000 1.126 55 F HN 0.121 nan 8.300 nan 0.000 0.462 56 S N 7.644 122.913 115.700 -0.719 0.000 2.475 56 S HA 0.516 4.988 4.470 0.004 0.000 0.298 56 S C -2.461 171.660 174.600 -0.799 0.000 1.119 56 S CA -1.116 56.783 58.200 -0.501 0.000 1.085 56 S CB 1.440 64.496 63.200 -0.240 0.000 1.028 56 S HN 0.499 nan 8.310 nan 0.000 0.489 57 P HA 0.403 nan 4.420 nan 0.000 0.280 57 P C -1.247 175.830 177.300 -0.370 0.000 1.272 57 P CA -0.921 61.947 63.100 -0.386 0.000 0.819 57 P CB 0.657 32.133 31.700 -0.375 0.000 1.122 58 R N 0.041 120.398 120.500 -0.239 0.000 2.393 58 R HA 0.496 4.838 4.340 0.004 0.000 0.310 58 R C -0.668 175.645 176.300 0.022 0.000 0.968 58 R CA -0.624 55.435 56.100 -0.068 0.000 0.867 58 R CB 0.287 30.601 30.300 0.022 0.000 1.124 58 R HN 0.189 nan 8.270 nan 0.000 0.450 59 F N 2.670 122.776 119.950 0.261 0.000 2.833 59 F HA 0.141 4.670 4.527 0.004 0.000 0.327 59 F C -0.213 175.725 175.800 0.230 0.000 1.184 59 F CA -0.185 57.962 58.000 0.244 0.000 1.328 59 F CB -0.433 38.642 39.000 0.125 0.000 1.440 59 F HN 0.686 nan 8.300 nan 0.000 0.569 60 D N -1.835 118.782 120.400 0.361 0.000 2.677 60 D HA 0.735 5.377 4.640 0.004 0.000 0.298 60 D C 0.038 176.496 176.300 0.263 0.000 1.250 60 D CA -0.612 53.574 54.000 0.310 0.000 0.888 60 D CB 1.280 42.199 40.800 0.199 0.000 1.397 60 D HN 0.325 nan 8.370 nan 0.000 0.461 61 G N -0.822 108.110 108.800 0.219 0.000 2.661 61 G HA2 0.388 4.350 3.960 0.004 0.000 0.685 61 G HA3 0.388 4.350 3.960 0.004 0.000 0.685 61 G C 0.074 175.075 174.900 0.169 0.000 1.298 61 G CA -0.294 44.896 45.100 0.150 0.000 0.855 61 G HN 1.404 nan 8.290 nan 0.000 0.560 62 T N -0.740 113.883 114.554 0.114 0.000 2.855 62 T HA 0.489 4.842 4.350 0.004 0.000 0.314 62 T C -0.827 173.907 174.700 0.056 0.000 1.077 62 T CA -0.089 62.082 62.100 0.118 0.000 1.095 62 T CB 1.314 70.232 68.868 0.083 0.000 0.987 62 T HN 0.340 nan 8.240 nan 0.000 0.546 63 P HA -0.076 nan 4.420 nan 0.000 0.216 63 P C 1.141 178.453 177.300 0.021 0.000 1.150 63 P CA 1.191 64.312 63.100 0.035 0.000 0.837 63 P CB -0.044 31.765 31.700 0.182 0.000 0.786 64 D N -0.795 119.634 120.400 0.049 0.000 2.104 64 D HA -0.189 4.453 4.640 0.004 0.000 0.194 64 D C 1.627 177.962 176.300 0.059 0.000 0.994 64 D CA 1.357 55.392 54.000 0.059 0.000 0.830 64 D CB -0.457 40.386 40.800 0.072 0.000 0.959 64 D HN -0.013 nan 8.370 nan 0.000 0.452 65 D N -0.773 119.654 120.400 0.045 0.000 2.097 65 D HA -0.174 4.468 4.640 0.004 0.000 0.195 65 D C 1.819 178.107 176.300 -0.019 0.000 0.989 65 D CA 0.648 54.667 54.000 0.032 0.000 0.827 65 D CB -0.466 40.358 40.800 0.040 0.000 0.966 65 D HN 0.295 nan 8.370 nan 0.000 0.456 66 F N 1.573 121.383 119.950 -0.233 0.000 2.186 66 F HA -0.077 4.452 4.527 0.004 0.000 0.299 66 F C 2.451 178.153 175.800 -0.162 0.000 1.090 66 F CA 1.100 58.895 58.000 -0.342 0.000 1.307 66 F CB -0.005 38.455 39.000 -0.899 0.000 1.019 66 F HN -0.235 nan 8.300 nan 0.000 0.489 67 R N 0.041 120.523 120.500 -0.029 0.000 2.081 67 R HA -0.187 4.155 4.340 0.004 0.000 0.235 67 R C 2.197 178.537 176.300 0.067 0.000 1.131 67 R CA 1.983 58.120 56.100 0.062 0.000 0.960 67 R CB -0.608 29.739 30.300 0.077 0.000 0.856 67 R HN 0.451 nan 8.270 nan 0.000 0.436 68 I N 1.000 121.568 120.570 -0.003 0.000 2.406 68 I HA -0.124 4.048 4.170 0.004 0.000 0.249 68 I C 1.638 177.627 176.117 -0.213 0.000 1.122 68 I CA 1.362 62.603 61.300 -0.097 0.000 1.431 68 I CB -0.340 37.560 38.000 -0.166 0.000 1.087 68 I HN 0.163 nan 8.210 nan 0.000 0.424 69 N N -0.665 117.905 118.700 -0.217 0.000 2.205 69 N HA -0.289 4.454 4.740 0.004 0.000 0.186 69 N C 1.830 177.193 175.510 -0.245 0.000 1.015 69 N CA 1.517 54.438 53.050 -0.214 0.000 0.862 69 N CB -0.311 38.048 38.487 -0.213 0.000 0.986 69 N HN 0.523 nan 8.380 nan 0.000 0.429 70 Y N -0.053 119.886 120.300 -0.602 0.000 2.314 70 Y HA 0.121 4.673 4.550 0.004 0.000 0.294 70 Y C 1.898 177.590 175.900 -0.348 0.000 1.119 70 Y CA 0.442 58.195 58.100 -0.578 0.000 1.179 70 Y CB -0.549 37.438 38.460 -0.788 0.000 1.025 70 Y HN 0.075 nan 8.280 nan 0.000 0.541 71 L N 1.237 122.274 121.223 -0.310 0.000 2.043 71 L HA -0.217 4.125 4.340 0.004 0.000 0.212 71 L C 2.409 178.974 176.870 -0.508 0.000 1.075 71 L CA 2.167 56.691 54.840 -0.526 0.000 0.752 71 L CB -0.861 40.808 42.059 -0.651 0.000 0.891 71 L HN 0.218 nan 8.230 nan 0.000 0.432 72 K N -0.782 119.379 120.400 -0.398 0.000 2.026 72 K HA -0.165 4.157 4.320 0.004 0.000 0.208 72 K C 1.981 178.524 176.600 -0.096 0.000 1.048 72 K CA 1.400 57.472 56.287 -0.358 0.000 0.929 72 K CB -0.300 31.830 32.500 -0.617 0.000 0.713 72 K HN 0.440 nan 8.250 nan 0.000 0.439 73 A N 0.890 123.707 122.820 -0.004 0.000 2.019 73 A HA -0.134 4.188 4.320 0.004 0.000 0.219 73 A C 1.672 179.216 177.584 -0.067 0.000 1.164 73 A CA 1.495 53.623 52.037 0.151 0.000 0.644 73 A CB -0.194 18.868 19.000 0.103 0.000 0.805 73 A HN 0.361 nan 8.150 nan 0.000 0.449 74 E N -0.993 119.033 120.200 -0.290 0.000 2.244 74 E HA 0.088 4.441 4.350 0.004 0.000 0.196 74 E C 1.909 178.350 176.600 -0.265 0.000 0.939 74 E CA 0.307 56.534 56.400 -0.289 0.000 0.884 74 E CB -0.397 28.944 29.700 -0.599 0.000 0.850 74 E HN 0.659 nan 8.360 nan 0.000 0.481 75 I N 0.756 121.070 120.570 -0.426 0.000 2.194 75 I HA -0.231 3.941 4.170 0.004 0.000 0.246 75 I C 1.451 177.431 176.117 -0.228 0.000 1.093 75 I CA 1.229 62.221 61.300 -0.514 0.000 1.355 75 I CB 0.202 37.812 38.000 -0.649 0.000 1.046 75 I HN 0.002 nan 8.210 nan 0.000 0.413 76 M N -0.311 119.202 119.600 -0.145 0.000 2.419 76 M HA 0.121 4.603 4.480 0.004 0.000 0.252 76 M C 1.899 178.250 176.300 0.085 0.000 1.143 76 M CA 0.286 55.553 55.300 -0.055 0.000 0.985 76 M CB -0.263 32.250 32.600 -0.145 0.000 1.489 76 M HN 0.086 nan 8.290 nan 0.000 0.484 77 S N 1.627 117.373 115.700 0.076 0.000 2.400 77 S HA -0.106 4.366 4.470 0.004 0.000 0.232 77 S C 1.546 176.209 174.600 0.105 0.000 1.025 77 S CA 1.360 59.620 58.200 0.099 0.000 0.993 77 S CB -0.005 63.272 63.200 0.129 0.000 0.808 77 S HN 0.545 nan 8.310 nan 0.000 0.478 78 K N -0.391 120.065 120.400 0.093 0.000 2.413 78 K HA 0.173 4.495 4.320 0.004 0.000 0.204 78 K C -0.489 176.095 176.600 -0.027 0.000 1.041 78 K CA -0.346 55.938 56.287 -0.004 0.000 1.082 78 K CB 0.345 32.769 32.500 -0.127 0.000 0.871 78 K HN 0.268 nan 8.250 nan 0.000 0.535 79 Y N 3.732 123.951 120.300 -0.135 0.000 2.721 79 Y HA -0.112 4.440 4.550 0.004 0.000 0.329 79 Y C 0.869 176.559 175.900 -0.349 0.000 1.211 79 Y CA -0.136 57.756 58.100 -0.347 0.000 1.512 79 Y CB 0.446 38.511 38.460 -0.659 0.000 1.249 79 Y HN 0.192 nan 8.280 nan 0.000 0.549 80 D N 1.626 121.582 120.400 -0.739 0.000 2.368 80 D HA 0.001 4.643 4.640 0.004 0.000 0.218 80 D C 0.104 176.112 176.300 -0.487 0.000 1.112 80 D CA 0.208 53.944 54.000 -0.439 0.000 0.834 80 D CB -0.031 40.615 40.800 -0.257 0.000 0.953 80 D HN 0.558 nan 8.370 nan 0.000 0.505 81 D N -0.546 119.323 120.400 -0.886 0.000 2.696 81 D HA 0.178 4.820 4.640 0.004 0.000 0.269 81 D C -0.654 175.552 176.300 -0.156 0.000 1.319 81 D CA -0.530 53.167 54.000 -0.505 0.000 0.826 81 D CB -0.298 40.162 40.800 -0.566 0.000 1.086 81 D HN 0.019 nan 8.370 nan 0.000 0.481 82 F N 0.147 120.135 119.950 0.063 0.000 2.403 82 F HA 0.280 4.810 4.527 0.004 0.000 0.320 82 F C 1.306 177.132 175.800 0.043 0.000 1.176 82 F CA -0.395 57.671 58.000 0.109 0.000 1.206 82 F CB 1.188 40.238 39.000 0.084 0.000 1.235 82 F HN -0.188 nan 8.300 nan 0.000 0.565 83 S N 2.420 118.284 115.700 0.274 0.000 2.514 83 S HA 0.321 4.793 4.470 0.004 0.000 0.179 83 S C 0.483 175.137 174.600 0.090 0.000 1.409 83 S CA -0.407 57.875 58.200 0.137 0.000 1.138 83 S CB -0.132 63.128 63.200 0.101 0.000 1.217 83 S HN 0.476 nan 8.310 nan 0.000 0.493 84 L N 0.834 122.107 121.223 0.083 0.000 2.693 84 L HA 0.313 4.656 4.340 0.004 0.000 0.235 84 L C 1.625 178.508 176.870 0.022 0.000 1.127 84 L CA -0.052 54.801 54.840 0.023 0.000 0.914 84 L CB 0.027 42.074 42.059 -0.021 0.000 1.193 84 L HN 0.676 nan 8.230 nan 0.000 0.502 85 G N 1.259 110.081 108.800 0.037 0.000 2.155 85 G HA2 -0.301 3.661 3.960 0.004 0.000 0.257 85 G HA3 -0.301 3.661 3.960 0.004 0.000 0.257 85 G C 0.292 175.208 174.900 0.025 0.000 0.983 85 G CA -0.039 45.078 45.100 0.028 0.000 0.676 85 G HN 0.314 nan 8.290 nan 0.000 0.528 86 I N 1.125 121.713 120.570 0.030 0.000 2.471 86 I HA 0.149 4.322 4.170 0.004 0.000 0.286 86 I C 0.217 176.349 176.117 0.024 0.000 1.079 86 I CA -0.251 61.064 61.300 0.025 0.000 1.398 86 I CB 0.840 38.857 38.000 0.028 0.000 1.403 86 I HN 0.007 nan 8.210 nan 0.000 0.530 87 D N 5.636 126.050 120.400 0.022 0.000 2.468 87 D HA 0.046 4.688 4.640 0.004 0.000 0.218 87 D C 1.329 177.634 176.300 0.008 0.000 1.155 87 D CA -0.291 53.721 54.000 0.020 0.000 0.924 87 D CB 0.852 41.671 40.800 0.032 0.000 1.029 87 D HN 0.643 nan 8.370 nan 0.000 0.515 88 T N 0.307 114.857 114.554 -0.007 0.000 3.007 88 T HA -0.140 4.213 4.350 0.004 0.000 0.270 88 T C 1.469 176.123 174.700 -0.076 0.000 1.107 88 T CA 0.875 62.956 62.100 -0.032 0.000 1.118 88 T CB 0.163 69.010 68.868 -0.034 0.000 0.889 88 T HN 0.439 nan 8.240 nan 0.000 0.506 89 E N 1.600 121.761 120.200 -0.066 0.000 2.033 89 E HA 0.138 4.490 4.350 0.004 0.000 0.189 89 E C 2.485 179.029 176.600 -0.093 0.000 0.979 89 E CA 0.772 57.093 56.400 -0.132 0.000 0.802 89 E CB -0.574 29.107 29.700 -0.031 0.000 0.763 89 E HN 0.493 nan 8.360 nan 0.000 0.449 90 A N 0.634 123.487 122.820 0.056 0.000 1.940 90 A HA -0.171 4.151 4.320 0.004 0.000 0.219 90 A C 2.423 180.063 177.584 0.094 0.000 1.176 90 A CA 1.648 53.767 52.037 0.138 0.000 0.631 90 A CB -0.856 18.211 19.000 0.112 0.000 0.814 90 A HN 0.248 nan 8.150 nan 0.000 0.446 91 V N -0.241 119.690 119.914 0.029 0.000 2.295 91 V HA -0.275 3.847 4.120 0.004 0.000 0.246 91 V C 3.058 179.155 176.094 0.006 0.000 1.049 91 V CA 2.013 64.327 62.300 0.024 0.000 1.024 91 V CB -1.286 30.540 31.823 0.004 0.000 0.648 91 V HN 0.646 nan 8.190 nan 0.000 0.447 92 A N -0.905 121.857 122.820 -0.098 0.000 1.865 92 A HA -0.266 4.056 4.320 0.004 0.000 0.217 92 A C 1.994 179.526 177.584 -0.086 0.000 1.191 92 A CA 2.048 53.973 52.037 -0.188 0.000 0.623 92 A CB -1.023 17.721 19.000 -0.426 0.000 0.826 92 A HN 0.676 nan 8.150 nan 0.000 0.444 93 W N -0.309 121.030 121.300 0.067 0.000 2.350 93 W HA -0.153 4.509 4.660 0.004 0.000 0.289 93 W C 2.287 178.910 176.519 0.173 0.000 1.215 93 W CA 1.040 58.442 57.345 0.095 0.000 1.236 93 W CB -0.054 29.416 29.460 0.017 0.000 1.130 93 W HN 0.550 nan 8.180 nan 0.000 0.541 94 E N 1.035 121.430 120.200 0.325 0.000 2.058 94 E HA -0.243 4.109 4.350 0.004 0.000 0.194 94 E C 1.919 178.647 176.600 0.214 0.000 0.997 94 E CA 1.598 58.135 56.400 0.227 0.000 0.801 94 E CB -0.048 29.738 29.700 0.143 0.000 0.746 94 E HN 0.213 nan 8.360 nan 0.000 0.450 95 K N -0.370 120.143 120.400 0.189 0.000 2.097 95 K HA -0.122 4.200 4.320 0.004 0.000 0.205 95 K C 2.014 178.739 176.600 0.209 0.000 1.050 95 K CA 1.139 57.517 56.287 0.152 0.000 0.938 95 K CB -0.269 32.293 32.500 0.104 0.000 0.718 95 K HN 0.171 nan 8.250 nan 0.000 0.442 96 F N 1.958 122.004 119.950 0.161 0.000 2.102 96 F HA -0.184 4.345 4.527 0.004 0.000 0.298 96 F C 1.698 177.625 175.800 0.211 0.000 1.105 96 F CA 1.331 59.469 58.000 0.230 0.000 1.239 96 F CB -0.119 39.140 39.000 0.431 0.000 0.991 96 F HN -0.120 nan 8.300 nan 0.000 0.474 97 L N 0.076 121.496 121.223 0.328 0.000 2.083 97 L HA -0.192 4.150 4.340 0.004 0.000 0.209 97 L C 2.846 179.731 176.870 0.025 0.000 1.083 97 L CA 1.109 56.029 54.840 0.133 0.000 0.752 97 L CB -1.335 40.848 42.059 0.206 0.000 0.899 97 L HN 0.314 nan 8.230 nan 0.000 0.433 98 A N 0.208 123.065 122.820 0.061 0.000 1.877 98 A HA -0.152 4.170 4.320 0.004 0.000 0.216 98 A C 2.564 180.148 177.584 -0.000 0.000 1.186 98 A CA 1.707 53.765 52.037 0.035 0.000 0.620 98 A CB -0.658 18.374 19.000 0.054 0.000 0.822 98 A HN 0.390 nan 8.150 nan 0.000 0.443 99 A N -0.388 122.423 122.820 -0.016 0.000 1.877 99 A HA -0.176 4.146 4.320 0.004 0.000 0.216 99 A C 1.968 179.510 177.584 -0.070 0.000 1.186 99 A CA 2.195 54.213 52.037 -0.031 0.000 0.620 99 A CB -0.548 18.437 19.000 -0.026 0.000 0.822 99 A HN 0.527 nan 8.150 nan 0.000 0.443 100 E N 0.129 120.233 120.200 -0.160 0.000 2.085 100 E HA -0.107 4.245 4.350 0.004 0.000 0.194 100 E C 2.036 178.600 176.600 -0.060 0.000 0.994 100 E CA 1.624 57.937 56.400 -0.145 0.000 0.801 100 E CB -0.445 29.097 29.700 -0.263 0.000 0.743 100 E HN 0.499 nan 8.360 nan 0.000 0.453 101 A N 0.281 123.075 122.820 -0.043 0.000 1.933 101 A HA -0.194 4.128 4.320 0.004 0.000 0.218 101 A C 2.155 179.730 177.584 -0.016 0.000 1.175 101 A CA 1.807 53.834 52.037 -0.017 0.000 0.628 101 A CB -0.670 18.328 19.000 -0.003 0.000 0.814 101 A HN 0.311 nan 8.150 nan 0.000 0.444 102 E N -0.130 120.060 120.200 -0.016 0.000 2.038 102 E HA -0.197 4.155 4.350 0.004 0.000 0.195 102 E C 1.908 178.492 176.600 -0.026 0.000 1.000 102 E CA 1.964 58.355 56.400 -0.016 0.000 0.803 102 E CB -0.768 28.931 29.700 -0.001 0.000 0.750 102 E HN 0.569 nan 8.360 nan 0.000 0.448 103 C N 0.402 119.691 119.300 -0.019 0.000 2.413 103 C HA -0.061 4.401 4.460 0.004 0.000 0.277 103 C C 2.753 177.730 174.990 -0.021 0.000 1.265 103 C CA 0.753 59.759 59.018 -0.020 0.000 1.752 103 C CB -1.420 26.323 27.740 0.005 0.000 1.998 103 C HN 0.615 nan 8.230 nan 0.000 0.489 104 A N 0.771 123.586 122.820 -0.009 0.000 1.873 104 A HA -0.191 4.132 4.320 0.004 0.000 0.218 104 A C 2.117 179.693 177.584 -0.013 0.000 1.193 104 A CA 1.839 53.877 52.037 0.002 0.000 0.629 104 A CB -0.729 18.273 19.000 0.003 0.000 0.826 104 A HN 0.621 nan 8.150 nan 0.000 0.447 105 L N -0.916 120.289 121.223 -0.029 0.000 2.046 105 L HA -0.182 4.160 4.340 0.004 0.000 0.208 105 L C 2.826 179.646 176.870 -0.084 0.000 1.077 105 L CA 1.857 56.669 54.840 -0.046 0.000 0.747 105 L CB -1.056 40.974 42.059 -0.048 0.000 0.896 105 L HN 0.389 nan 8.230 nan 0.000 0.432 106 T N -0.657 113.833 114.554 -0.107 0.000 2.708 106 T HA -0.132 4.220 4.350 0.004 0.000 0.266 106 T C 1.739 176.318 174.700 -0.201 0.000 1.037 106 T CA 1.292 63.286 62.100 -0.177 0.000 1.146 106 T CB -0.263 68.495 68.868 -0.183 0.000 0.865 106 T HN 0.277 nan 8.240 nan 0.000 0.435 107 N N 1.409 120.026 118.700 -0.138 0.000 2.149 107 N HA -0.047 4.695 4.740 0.004 0.000 0.188 107 N C 2.029 177.504 175.510 -0.058 0.000 1.019 107 N CA 1.419 54.383 53.050 -0.143 0.000 0.857 107 N CB -0.474 38.037 38.487 0.039 0.000 0.997 107 N HN 0.457 nan 8.380 nan 0.000 0.426 108 A N 0.945 123.764 122.820 -0.002 0.000 1.874 108 A HA -0.049 4.273 4.320 0.004 0.000 0.214 108 A C 2.260 179.836 177.584 -0.014 0.000 1.189 108 A CA 0.879 52.942 52.037 0.043 0.000 0.615 108 A CB -0.374 18.642 19.000 0.026 0.000 0.830 108 A HN 0.174 nan 8.150 nan 0.000 0.443 109 R N -0.821 119.626 120.500 -0.089 0.000 2.096 109 R HA -0.101 4.241 4.340 0.004 0.000 0.235 109 R C 1.602 177.805 176.300 -0.163 0.000 1.127 109 R CA 1.419 57.442 56.100 -0.128 0.000 0.968 109 R CB -0.283 29.903 30.300 -0.190 0.000 0.861 109 R HN 0.388 nan 8.270 nan 0.000 0.440 110 L N -0.284 120.795 121.223 -0.241 0.000 2.240 110 L HA -0.055 4.287 4.340 0.004 0.000 0.211 110 L C 1.153 177.906 176.870 -0.195 0.000 1.106 110 L CA 1.379 56.049 54.840 -0.284 0.000 0.793 110 L CB -0.491 41.322 42.059 -0.411 0.000 0.927 110 L HN 0.189 nan 8.230 nan 0.000 0.446 111 Y N -0.879 119.385 120.300 -0.060 0.000 2.496 111 Y HA 0.189 4.741 4.550 0.004 0.000 0.313 111 Y C 0.843 176.726 175.900 -0.027 0.000 1.184 111 Y CA -0.375 57.703 58.100 -0.037 0.000 1.275 111 Y CB 0.065 38.509 38.460 -0.027 0.000 1.103 111 Y HN -0.034 nan 8.280 nan 0.000 0.513 112 R N 0.590 121.139 120.500 0.083 0.000 2.562 112 R HA 0.375 4.717 4.340 0.004 0.000 0.298 112 R C -2.194 174.127 176.300 0.036 0.000 0.961 112 R CA -1.744 54.386 56.100 0.050 0.000 0.881 112 R CB 1.068 31.379 30.300 0.019 0.000 1.159 112 R HN 0.065 nan 8.270 nan 0.000 0.450 120 N N 4.615 122.990 118.700 -0.542 0.000 2.443 120 N HA 0.516 5.258 4.740 0.004 0.000 0.295 120 N C -1.743 173.381 175.510 -0.644 0.000 1.076 120 N CA -0.166 52.629 53.050 -0.424 0.000 0.919 120 N CB 1.407 39.770 38.487 -0.206 0.000 1.176 120 N HN 0.521 nan 8.380 nan 0.000 0.487 121 F N 1.646 121.315 119.950 -0.469 0.000 2.532 121 F HA 0.633 5.162 4.527 0.004 0.000 0.321 121 F C -0.550 175.143 175.800 -0.179 0.000 1.089 121 F CA -0.690 57.114 58.000 -0.328 0.000 0.926 121 F CB 1.521 40.465 39.000 -0.093 0.000 1.168 121 F HN 0.351 nan 8.300 nan 0.000 0.459 122 S N 6.098 121.117 115.700 -1.135 0.000 2.543 122 S HA 0.361 4.834 4.470 0.004 0.000 0.271 122 S C -0.292 173.746 174.600 -0.937 0.000 1.148 122 S CA -0.694 56.974 58.200 -0.887 0.000 0.914 122 S CB 1.349 64.230 63.200 -0.532 0.000 1.096 122 S HN 0.926 nan 8.310 nan 0.000 0.471 123 L N 5.696 126.484 121.223 -0.725 0.000 2.044 123 L HA 0.310 4.652 4.340 0.004 0.000 0.205 123 L C 2.243 178.842 176.870 -0.452 0.000 1.075 123 L CA 2.776 57.332 54.840 -0.474 0.000 0.747 123 L CB -1.228 40.645 42.059 -0.309 0.000 0.903 123 L HN 0.955 nan 8.230 nan 0.000 0.435 124 G N -0.793 107.609 108.800 -0.663 0.000 2.514 124 G HA2 -0.307 3.655 3.960 0.004 0.000 0.217 124 G HA3 -0.307 3.655 3.960 0.004 0.000 0.217 124 G C 1.431 175.837 174.900 -0.822 0.000 1.198 124 G CA 0.971 45.504 45.100 -0.946 0.000 0.780 124 G HN 0.546 nan 8.290 nan 0.000 0.565 125 E N 0.362 120.023 120.200 -0.898 0.000 2.085 125 E HA -0.103 4.250 4.350 0.004 0.000 0.194 125 E C 2.960 179.323 176.600 -0.396 0.000 0.994 125 E CA 1.193 57.280 56.400 -0.522 0.000 0.801 125 E CB -0.129 29.356 29.700 -0.358 0.000 0.743 125 E HN 0.386 nan 8.360 nan 0.000 0.453 126 S N 0.403 115.973 115.700 -0.217 0.000 2.368 126 S HA -0.170 4.302 4.470 0.004 0.000 0.225 126 S C 2.162 176.755 174.600 -0.012 0.000 1.030 126 S CA 0.951 59.161 58.200 0.015 0.000 0.999 126 S CB -0.280 62.970 63.200 0.084 0.000 0.844 126 S HN 0.394 nan 8.310 nan 0.000 0.459 127 C N 1.153 120.397 119.300 -0.094 0.000 2.440 127 C HA 0.109 4.571 4.460 0.004 0.000 0.278 127 C C 2.430 177.404 174.990 -0.026 0.000 1.295 127 C CA 0.036 59.028 59.018 -0.043 0.000 1.738 127 C CB -1.313 26.400 27.740 -0.046 0.000 1.987 127 C HN 0.544 nan 8.230 nan 0.000 0.492 128 I N 0.129 120.643 120.570 -0.093 0.000 2.226 128 I HA -0.255 3.917 4.170 0.004 0.000 0.245 128 I C 2.363 178.463 176.117 -0.028 0.000 1.100 128 I CA 1.780 63.033 61.300 -0.079 0.000 1.374 128 I CB -0.541 37.375 38.000 -0.140 0.000 1.057 128 I HN 0.509 nan 8.210 nan 0.000 0.413 129 H N -0.227 118.852 119.070 0.014 0.000 2.353 129 H HA -0.163 4.396 4.556 0.004 0.000 0.300 129 H C 2.366 177.710 175.328 0.027 0.000 1.090 129 H CA 1.503 57.566 56.048 0.024 0.000 1.327 129 H CB -0.024 29.758 29.762 0.034 0.000 1.383 129 H HN 0.280 nan 8.280 nan 0.000 0.508 130 M N -0.219 119.467 119.600 0.144 0.000 2.160 130 M HA -0.041 4.442 4.480 0.004 0.000 0.264 130 M C 2.805 179.147 176.300 0.071 0.000 1.073 130 M CA 1.115 56.468 55.300 0.087 0.000 1.142 130 M CB 0.032 32.664 32.600 0.054 0.000 1.358 130 M HN 0.317 nan 8.290 nan 0.000 0.422 131 A N 0.605 123.463 122.820 0.063 0.000 1.908 131 A HA -0.204 4.118 4.320 0.004 0.000 0.218 131 A C 2.240 179.881 177.584 0.096 0.000 1.181 131 A CA 1.709 53.793 52.037 0.079 0.000 0.627 131 A CB -0.709 18.339 19.000 0.080 0.000 0.818 131 A HN 0.340 nan 8.150 nan 0.000 0.445 132 R N 0.448 120.996 120.500 0.079 0.000 2.094 132 R HA -0.190 4.152 4.340 0.004 0.000 0.239 132 R C 2.260 178.604 176.300 0.074 0.000 1.137 132 R CA 2.348 58.489 56.100 0.069 0.000 0.943 132 R CB -0.862 29.485 30.300 0.079 0.000 0.850 132 R HN 0.624 nan 8.270 nan 0.000 0.433 133 R N 0.186 120.735 120.500 0.083 0.000 2.073 133 R HA -0.091 4.251 4.340 0.004 0.000 0.234 133 R C 2.131 178.486 176.300 0.092 0.000 1.134 133 R CA 1.604 57.749 56.100 0.075 0.000 0.952 133 R CB -0.047 30.292 30.300 0.065 0.000 0.850 133 R HN 0.061 nan 8.270 nan 0.000 0.433 134 K N 0.611 121.084 120.400 0.121 0.000 2.057 134 K HA -0.119 4.203 4.320 0.004 0.000 0.207 134 K C 2.125 178.887 176.600 0.270 0.000 1.049 134 K CA 1.338 57.748 56.287 0.205 0.000 0.931 134 K CB -0.420 32.201 32.500 0.200 0.000 0.714 134 K HN 0.316 nan 8.250 nan 0.000 0.440 135 I N 1.360 122.056 120.570 0.211 0.000 2.208 135 I HA -0.300 3.872 4.170 0.004 0.000 0.245 135 I C 2.449 178.530 176.117 -0.061 0.000 1.097 135 I CA 1.313 62.638 61.300 0.042 0.000 1.363 135 I CB -0.392 37.598 38.000 -0.016 0.000 1.051 135 I HN 0.076 nan 8.210 nan 0.000 0.413 136 A N 0.799 123.619 122.820 0.001 0.000 1.902 136 A HA -0.223 4.099 4.320 0.004 0.000 0.217 136 A C 2.296 179.886 177.584 0.010 0.000 1.181 136 A CA 1.655 53.692 52.037 0.000 0.000 0.623 136 A CB -0.428 18.594 19.000 0.037 0.000 0.818 136 A HN 0.340 nan 8.150 nan 0.000 0.443 137 K N -0.840 119.584 120.400 0.040 0.000 2.097 137 K HA -0.101 4.221 4.320 0.004 0.000 0.206 137 K C 1.903 178.506 176.600 0.005 0.000 1.049 137 K CA 1.367 57.681 56.287 0.046 0.000 0.933 137 K CB -0.348 32.203 32.500 0.084 0.000 0.717 137 K HN 0.399 nan 8.250 nan 0.000 0.442 138 L N 1.356 122.549 121.223 -0.050 0.000 2.005 138 L HA -0.066 4.276 4.340 0.004 0.000 0.207 138 L C 1.885 178.624 176.870 -0.218 0.000 1.072 138 L CA 1.561 56.275 54.840 -0.210 0.000 0.744 138 L CB -0.105 41.633 42.059 -0.536 0.000 0.895 138 L HN 0.258 nan 8.230 nan 0.000 0.433 139 I N -3.626 116.796 120.570 -0.248 0.000 4.018 139 I HA 0.499 4.671 4.170 0.004 0.000 0.337 139 I C 1.039 177.207 176.117 0.086 0.000 1.327 139 I CA 0.166 61.325 61.300 -0.235 0.000 1.100 139 I CB -0.516 37.029 38.000 -0.758 0.000 1.025 139 I HN 0.303 nan 8.210 nan 0.000 0.396 140 G N 2.126 110.974 108.800 0.082 0.000 2.750 140 G HA2 -0.271 3.691 3.960 0.004 0.000 0.228 140 G HA3 -0.271 3.691 3.960 0.004 0.000 0.228 140 G C -0.079 175.005 174.900 0.307 0.000 1.367 140 G CA 0.290 45.499 45.100 0.182 0.000 0.871 140 G HN 0.315 nan 8.290 nan 0.000 0.560 141 D N -1.121 119.428 120.400 0.248 0.000 2.162 141 D HA 0.232 4.874 4.640 0.004 0.000 0.203 141 D C 1.086 177.536 176.300 0.249 0.000 0.967 141 D CA 1.838 55.974 54.000 0.228 0.000 0.840 141 D CB 0.519 41.389 40.800 0.116 0.000 0.972 141 D HN 0.652 nan 8.370 nan 0.000 0.482 142 V N 0.017 119.981 119.914 0.085 0.000 3.077 142 V HA 0.254 4.376 4.120 0.004 0.000 0.299 142 V C -2.652 173.137 176.094 -0.508 0.000 1.276 142 V CA -1.934 60.158 62.300 -0.346 0.000 0.993 142 V CB 2.501 34.221 31.823 -0.172 0.000 1.076 142 V HN -0.211 nan 8.190 nan 0.000 0.434 143 P HA 0.197 nan 4.420 nan 0.000 0.264 143 P C -0.563 176.578 177.300 -0.265 0.000 1.193 143 P CA 0.312 62.966 63.100 -0.743 0.000 0.763 143 P CB 0.378 31.544 31.700 -0.890 0.000 0.810 144 S N 1.677 117.324 115.700 -0.087 0.000 2.601 144 S HA 0.131 4.604 4.470 0.004 0.000 0.271 144 S C 1.302 175.899 174.600 -0.005 0.000 1.305 144 S CA -0.688 57.498 58.200 -0.024 0.000 1.022 144 S CB 0.572 63.788 63.200 0.027 0.000 0.940 144 S HN 0.155 nan 8.310 nan 0.000 0.525 145 V N 2.060 121.976 119.914 0.003 0.000 2.343 145 V HA -0.156 3.966 4.120 0.004 0.000 0.247 145 V C 2.499 178.616 176.094 0.039 0.000 1.051 145 V CA 2.289 64.603 62.300 0.024 0.000 1.036 145 V CB -1.307 30.525 31.823 0.016 0.000 0.654 145 V HN 0.871 nan 8.190 nan 0.000 0.451 146 E N 0.986 121.204 120.200 0.030 0.000 2.077 146 E HA -0.122 4.230 4.350 0.004 0.000 0.193 146 E C 2.307 178.928 176.600 0.035 0.000 0.989 146 E CA 1.427 57.843 56.400 0.025 0.000 0.800 146 E CB -0.959 28.754 29.700 0.022 0.000 0.746 146 E HN 0.567 nan 8.360 nan 0.000 0.452 147 G N 0.450 109.294 108.800 0.072 0.000 2.402 147 G HA2 -0.215 3.748 3.960 0.004 0.000 0.216 147 G HA3 -0.215 3.748 3.960 0.004 0.000 0.216 147 G C 1.460 176.459 174.900 0.164 0.000 1.162 147 G CA 0.814 46.004 45.100 0.150 0.000 0.777 147 G HN 0.060 nan 8.290 nan 0.000 0.539 148 M N -0.022 119.649 119.600 0.118 0.000 2.159 148 M HA 0.051 4.533 4.480 0.004 0.000 0.263 148 M C 2.468 178.834 176.300 0.110 0.000 1.063 148 M CA 0.735 56.120 55.300 0.140 0.000 1.110 148 M CB -1.004 31.695 32.600 0.166 0.000 1.374 148 M HN 0.144 nan 8.290 nan 0.000 0.411 149 L N 0.093 121.361 121.223 0.074 0.000 2.083 149 L HA -0.158 4.184 4.340 0.004 0.000 0.209 149 L C 2.593 179.427 176.870 -0.059 0.000 1.083 149 L CA 1.817 56.679 54.840 0.035 0.000 0.752 149 L CB -0.994 41.075 42.059 0.017 0.000 0.899 149 L HN 0.329 nan 8.230 nan 0.000 0.433 150 R N -2.274 118.159 120.500 -0.112 0.000 2.161 150 R HA -0.078 4.264 4.340 0.004 0.000 0.213 150 R C 1.711 177.787 176.300 -0.373 0.000 1.055 150 R CA 0.906 56.835 56.100 -0.284 0.000 0.996 150 R CB 0.012 30.085 30.300 -0.379 0.000 0.901 150 R HN 0.442 nan 8.270 nan 0.000 0.456 151 H N -1.310 117.747 119.070 -0.022 0.000 2.885 151 H HA 0.192 4.750 4.556 0.004 0.000 0.260 151 H C 0.269 175.536 175.328 -0.101 0.000 0.985 151 H CA -0.201 55.829 56.048 -0.030 0.000 1.210 151 H CB 0.223 29.988 29.762 0.005 0.000 1.466 151 H HN 0.119 nan 8.280 nan 0.000 0.493 152 C N 3.570 122.822 119.300 -0.079 0.000 2.662 152 C HA 0.369 4.832 4.460 0.004 0.000 0.420 152 C C 1.090 175.727 174.990 -0.590 0.000 1.314 152 C CA 0.046 58.773 59.018 -0.484 0.000 1.963 152 C CB -0.635 26.711 27.740 -0.655 0.000 2.686 152 C HN 0.644 nan 8.230 nan 0.000 0.609 153 R N 1.288 121.211 120.500 -0.962 0.000 2.774 153 R HA 0.500 4.842 4.340 0.004 0.000 0.279 153 R C -1.931 174.070 176.300 -0.499 0.000 1.022 153 R CA -0.788 55.000 56.100 -0.520 0.000 0.855 153 R CB 0.308 30.628 30.300 0.033 0.000 1.279 153 R HN 0.342 nan 8.270 nan 0.000 0.485 154 F N 1.294 121.219 119.950 -0.041 0.000 2.379 154 F HA 0.468 4.997 4.527 0.003 0.000 0.332 154 F C 1.209 176.952 175.800 -0.095 0.000 1.096 154 F CA 0.037 57.976 58.000 -0.102 0.000 1.105 154 F CB 1.875 40.718 39.000 -0.262 0.000 1.189 154 F HN 0.742 nan 8.300 nan 0.000 0.515 155 S N 0.471 116.239 115.700 0.113 0.000 2.666 155 S HA 0.598 5.070 4.470 0.004 0.000 0.279 155 S C 0.874 175.443 174.600 -0.053 0.000 1.149 155 S CA -0.164 58.046 58.200 0.018 0.000 1.020 155 S CB 1.112 64.316 63.200 0.007 0.000 1.127 155 S HN 0.781 nan 8.310 nan 0.000 0.537 156 G N -0.977 107.785 108.800 -0.064 0.000 3.189 156 G HA2 0.506 4.468 3.960 0.004 0.000 0.225 156 G HA3 0.506 4.468 3.960 0.004 0.000 0.225 156 G C 0.464 175.339 174.900 -0.043 0.000 1.159 156 G CA -0.063 44.988 45.100 -0.083 0.000 0.763 156 G HN 0.939 nan 8.290 nan 0.000 0.549 157 G N -0.420 108.357 108.800 -0.038 0.000 2.535 157 G HA2 0.584 4.546 3.960 0.004 0.000 0.303 157 G HA3 0.584 4.546 3.960 0.004 0.000 0.303 157 G C 0.210 175.087 174.900 -0.038 0.000 1.237 157 G CA 0.038 45.119 45.100 -0.031 0.000 0.986 157 G HN 0.445 nan 8.290 nan 0.000 0.494 158 A N -0.665 122.136 122.820 -0.033 0.000 2.425 158 A HA 0.640 4.962 4.320 0.004 0.000 0.242 158 A C 0.867 178.426 177.584 -0.041 0.000 1.077 158 A CA 0.668 52.683 52.037 -0.036 0.000 0.781 158 A CB 0.082 19.067 19.000 -0.026 0.000 1.020 158 A HN 1.486 nan 8.150 nan 0.000 0.494 159 T N -3.010 111.511 114.554 -0.056 0.000 2.831 159 T HA 0.507 4.859 4.350 0.004 0.000 0.287 159 T C 1.084 175.759 174.700 -0.042 0.000 1.070 159 T CA 0.198 62.265 62.100 -0.054 0.000 1.010 159 T CB 0.634 69.441 68.868 -0.103 0.000 1.264 159 T HN 1.067 nan 8.240 nan 0.000 0.532 160 T N -1.495 113.044 114.554 -0.024 0.000 2.897 160 T HA -0.094 4.259 4.350 0.004 0.000 0.271 160 T C 1.696 176.374 174.700 -0.037 0.000 1.084 160 T CA 1.805 63.899 62.100 -0.010 0.000 1.123 160 T CB -1.154 67.728 68.868 0.023 0.000 0.865 160 T HN 0.918 nan 8.240 nan 0.000 0.496 161 T N -1.829 112.683 114.554 -0.070 0.000 2.990 161 T HA 0.244 4.596 4.350 0.004 0.000 0.250 161 T C 0.554 175.183 174.700 -0.119 0.000 1.041 161 T CA -0.511 61.532 62.100 -0.095 0.000 1.010 161 T CB -0.112 68.685 68.868 -0.119 0.000 1.003 161 T HN 0.398 nan 8.240 nan 0.000 0.499 162 N N 3.150 121.786 118.700 -0.106 0.000 2.483 162 N HA 0.308 5.050 4.740 0.004 0.000 0.267 162 N C -1.091 174.400 175.510 -0.033 0.000 0.998 162 N CA -0.629 52.373 53.050 -0.081 0.000 0.918 162 N CB 1.421 39.848 38.487 -0.100 0.000 1.215 162 N HN 0.424 nan 8.380 nan 0.000 0.500 163 N N 1.550 120.254 118.700 0.007 0.000 2.294 163 N HA 0.128 4.870 4.740 0.004 0.000 0.248 163 N C 1.169 176.667 175.510 -0.020 0.000 1.300 163 N CA -0.278 52.771 53.050 -0.002 0.000 0.925 163 N CB 0.731 39.222 38.487 0.007 0.000 1.188 163 N HN 0.280 nan 8.380 nan 0.000 0.512 164 R N -0.366 120.108 120.500 -0.044 0.000 2.103 164 R HA -0.131 4.211 4.340 0.004 0.000 0.242 164 R C 1.842 178.079 176.300 -0.105 0.000 1.142 164 R CA 1.823 57.888 56.100 -0.059 0.000 0.960 164 R CB -1.686 28.579 30.300 -0.057 0.000 0.858 164 R HN 0.844 nan 8.270 nan 0.000 0.439 165 S N -0.275 115.313 115.700 -0.188 0.000 2.474 165 S HA -0.084 4.388 4.470 0.004 0.000 0.235 165 S C 0.960 175.169 174.600 -0.652 0.000 0.997 165 S CA 0.492 58.468 58.200 -0.372 0.000 0.949 165 S CB -0.213 62.719 63.200 -0.446 0.000 0.766 165 S HN 0.359 nan 8.310 nan 0.000 0.517 166 Y N 1.522 121.676 120.300 -0.243 0.000 2.751 166 Y HA 0.529 5.082 4.550 0.004 0.000 0.289 166 Y C 1.887 177.738 175.900 -0.083 0.000 1.110 166 Y CA -0.705 57.150 58.100 -0.407 0.000 1.251 166 Y CB 0.002 38.116 38.460 -0.575 0.000 1.178 166 Y HN 0.339 nan 8.280 nan 0.000 0.540 167 G N -1.470 107.371 108.800 0.069 0.000 2.551 167 G HA2 -0.138 3.824 3.960 0.004 0.000 0.216 167 G HA3 -0.138 3.824 3.960 0.004 0.000 0.216 167 G C 0.522 175.463 174.900 0.068 0.000 1.137 167 G CA -0.056 45.069 45.100 0.043 0.000 0.798 167 G HN 0.356 nan 8.290 nan 0.000 0.536 168 H N 1.538 120.658 119.070 0.083 0.000 3.001 168 H HA 0.035 4.593 4.556 0.003 0.000 0.334 168 H C -1.326 173.902 175.328 -0.168 0.000 1.034 168 H CA -0.975 55.050 56.048 -0.038 0.000 1.420 168 H CB 1.735 31.477 29.762 -0.034 0.000 1.405 168 H HN -0.046 nan 8.280 nan 0.000 0.593 169 P HA -0.221 nan 4.420 nan 0.000 0.217 169 P C 1.647 178.741 177.300 -0.342 0.000 1.151 169 P CA 2.328 65.071 63.100 -0.596 0.000 0.849 169 P CB 0.019 31.072 31.700 -1.078 0.000 0.787 170 S N -1.711 113.857 115.700 -0.219 0.000 2.400 170 S HA -0.193 4.280 4.470 0.004 0.000 0.232 170 S C 1.675 176.207 174.600 -0.114 0.000 1.025 170 S CA 1.273 59.454 58.200 -0.031 0.000 0.993 170 S CB -1.708 61.447 63.200 -0.074 0.000 0.808 170 S HN 0.009 nan 8.310 nan 0.000 0.478 171 F N 2.022 121.969 119.950 -0.005 0.000 2.558 171 F HA 0.303 4.832 4.527 0.004 0.000 0.298 171 F C 2.344 177.977 175.800 -0.279 0.000 1.119 171 F CA 0.215 58.175 58.000 -0.068 0.000 1.451 171 F CB -0.131 38.887 39.000 0.030 0.000 1.091 171 F HN 0.104 nan 8.300 nan 0.000 0.563 172 K N -0.615 119.567 120.400 -0.364 0.000 2.167 172 K HA -0.019 4.303 4.320 0.004 0.000 0.203 172 K C 1.842 177.789 176.600 -1.090 0.000 1.052 172 K CA 1.009 56.666 56.287 -1.049 0.000 0.956 172 K CB -0.694 30.657 32.500 -1.915 0.000 0.735 172 K HN 0.247 nan 8.250 nan 0.000 0.451 173 F N 1.150 120.822 119.950 -0.464 0.000 2.367 173 F HA 0.010 4.539 4.527 0.004 0.000 0.298 173 F C 2.350 178.084 175.800 -0.110 0.000 1.094 173 F CA 0.727 58.615 58.000 -0.186 0.000 1.409 173 F CB -0.365 38.597 39.000 -0.062 0.000 1.064 173 F HN -0.024 nan 8.300 nan 0.000 0.528 174 A N -0.060 122.797 122.820 0.062 0.000 1.898 174 A HA 0.134 4.456 4.320 0.004 0.000 0.214 174 A C 1.002 178.603 177.584 0.029 0.000 1.183 174 A CA 0.573 52.657 52.037 0.079 0.000 0.622 174 A CB -0.606 18.472 19.000 0.130 0.000 0.824 174 A HN 0.161 nan 8.150 nan 0.000 0.444 175 L N 0.555 121.749 121.223 -0.049 0.000 2.307 175 L HA 0.370 4.712 4.340 0.004 0.000 0.282 175 L C -2.617 174.177 176.870 -0.127 0.000 1.051 175 L CA -2.322 52.462 54.840 -0.092 0.000 0.804 175 L CB 1.123 43.092 42.059 -0.150 0.000 1.197 175 L HN -0.017 nan 8.230 nan 0.000 0.431 176 P HA 0.041 nan 4.420 nan 0.000 0.264 176 P C -0.908 176.349 177.300 -0.071 0.000 1.193 176 P CA -0.090 63.023 63.100 0.021 0.000 0.763 176 P CB 0.461 32.205 31.700 0.073 0.000 0.810 177 Q N 1.453 121.170 119.800 -0.139 0.000 2.205 177 Q HA 0.618 4.960 4.340 0.004 0.000 0.249 177 Q C 0.109 176.154 176.000 0.076 0.000 0.948 177 Q CA -0.774 54.868 55.803 -0.268 0.000 0.895 177 Q CB 1.674 29.924 28.738 -0.813 0.000 1.249 177 Q HN 0.458 nan 8.270 nan 0.000 0.458 178 A N 0.591 123.449 122.820 0.064 0.000 2.287 178 A HA 0.596 4.918 4.320 0.004 0.000 0.273 178 A C 0.152 177.902 177.584 0.277 0.000 1.091 178 A CA -0.216 51.918 52.037 0.162 0.000 0.817 178 A CB 0.251 19.310 19.000 0.098 0.000 1.069 178 A HN 0.911 nan 8.150 nan 0.000 0.492 179 C N -0.698 118.749 119.300 0.244 0.000 3.239 179 C HA 0.843 5.305 4.460 0.004 0.000 0.317 179 C C 0.233 175.311 174.990 0.148 0.000 1.310 179 C CA 0.021 59.180 59.018 0.235 0.000 1.371 179 C CB 0.759 28.672 27.740 0.287 0.000 1.714 179 C HN 1.392 nan 8.230 nan 0.000 0.473 180 T N -0.721 113.905 114.554 0.120 0.000 2.828 180 T HA 0.501 4.853 4.350 0.004 0.000 0.290 180 T C -1.703 173.033 174.700 0.059 0.000 1.019 180 T CA -0.674 61.469 62.100 0.072 0.000 1.031 180 T CB 0.672 69.568 68.868 0.046 0.000 1.001 180 T HN 0.606 nan 8.240 nan 0.000 0.531 181 P HA -0.070 nan 4.420 nan 0.000 0.215 181 P C 1.544 178.863 177.300 0.031 0.000 1.157 181 P CA 1.195 64.311 63.100 0.028 0.000 0.874 181 P CB 0.049 31.756 31.700 0.011 0.000 0.790 182 R N -0.779 119.739 120.500 0.029 0.000 2.235 182 R HA 0.088 4.431 4.340 0.004 0.000 0.213 182 R C 1.970 178.327 176.300 0.096 0.000 1.059 182 R CA 1.104 57.232 56.100 0.046 0.000 0.997 182 R CB -0.570 29.745 30.300 0.026 0.000 0.884 182 R HN 0.152 nan 8.270 nan 0.000 0.462 183 A N 0.780 123.643 122.820 0.072 0.000 2.238 183 A HA 0.007 4.329 4.320 0.004 0.000 0.210 183 A C 1.867 179.528 177.584 0.128 0.000 1.179 183 A CA 0.017 52.104 52.037 0.084 0.000 0.827 183 A CB -0.052 18.965 19.000 0.029 0.000 0.856 183 A HN 0.203 nan 8.150 nan 0.000 0.488 184 L N 1.157 122.426 121.223 0.076 0.000 2.042 184 L HA -0.220 4.122 4.340 0.004 0.000 0.210 184 L C 2.393 179.246 176.870 -0.027 0.000 1.076 184 L CA 2.808 57.660 54.840 0.019 0.000 0.749 184 L CB -0.498 41.566 42.059 0.009 0.000 0.893 184 L HN 0.546 nan 8.230 nan 0.000 0.432 185 K N -2.103 118.274 120.400 -0.040 0.000 2.211 185 K HA -0.209 4.113 4.320 0.004 0.000 0.203 185 K C 2.027 178.472 176.600 -0.258 0.000 1.050 185 K CA 1.796 57.989 56.287 -0.157 0.000 0.945 185 K CB -0.892 31.479 32.500 -0.215 0.000 0.732 185 K HN 0.394 nan 8.250 nan 0.000 0.451 186 Y N 1.943 122.056 120.300 -0.312 0.000 2.114 186 Y HA -0.203 4.349 4.550 0.004 0.000 0.284 186 Y C 2.617 178.322 175.900 -0.326 0.000 1.143 186 Y CA 1.049 58.817 58.100 -0.552 0.000 1.135 186 Y CB -0.495 37.215 38.460 -1.250 0.000 0.980 186 Y HN -0.196 nan 8.280 nan 0.000 0.499 187 V N 0.527 120.401 119.914 -0.067 0.000 2.332 187 V HA -0.326 3.796 4.120 0.004 0.000 0.248 187 V C 2.263 178.239 176.094 -0.195 0.000 1.055 187 V CA 1.790 63.970 62.300 -0.199 0.000 1.038 187 V CB -0.859 30.708 31.823 -0.426 0.000 0.651 187 V HN 0.426 nan 8.190 nan 0.000 0.450 188 L N -0.043 121.094 121.223 -0.143 0.000 2.083 188 L HA -0.142 4.200 4.340 0.004 0.000 0.209 188 L C 2.734 179.556 176.870 -0.080 0.000 1.083 188 L CA 1.515 56.289 54.840 -0.111 0.000 0.752 188 L CB -0.855 41.148 42.059 -0.093 0.000 0.899 188 L HN 0.389 nan 8.230 nan 0.000 0.433 189 A N -0.007 122.763 122.820 -0.083 0.000 1.898 189 A HA -0.174 4.148 4.320 0.004 0.000 0.216 189 A C 2.312 179.912 177.584 0.026 0.000 1.181 189 A CA 1.109 53.118 52.037 -0.046 0.000 0.620 189 A CB -0.596 18.351 19.000 -0.087 0.000 0.819 189 A HN 0.352 nan 8.150 nan 0.000 0.442 190 L N -0.548 120.718 121.223 0.071 0.000 2.012 190 L HA -0.217 4.125 4.340 0.004 0.000 0.210 190 L C 2.800 179.688 176.870 0.031 0.000 1.073 190 L CA 2.238 57.141 54.840 0.105 0.000 0.748 190 L CB -0.428 41.678 42.059 0.078 0.000 0.891 190 L HN 0.553 nan 8.230 nan 0.000 0.431 191 R N -0.115 120.358 120.500 -0.045 0.000 2.096 191 R HA -0.172 4.171 4.340 0.004 0.000 0.235 191 R C 2.086 178.392 176.300 0.011 0.000 1.127 191 R CA 1.450 57.531 56.100 -0.030 0.000 0.968 191 R CB -0.250 30.009 30.300 -0.068 0.000 0.861 191 R HN 0.447 nan 8.270 nan 0.000 0.440 192 A N 0.351 123.175 122.820 0.005 0.000 2.067 192 A HA -0.106 4.216 4.320 0.004 0.000 0.219 192 A C 1.988 179.594 177.584 0.037 0.000 1.158 192 A CA 1.532 53.578 52.037 0.014 0.000 0.661 192 A CB -0.334 18.665 19.000 -0.002 0.000 0.801 192 A HN 0.580 nan 8.150 nan 0.000 0.452 193 S N -2.218 113.516 115.700 0.058 0.000 2.575 193 S HA 0.178 4.650 4.470 0.004 0.000 0.215 193 S C 0.622 175.283 174.600 0.102 0.000 0.966 193 S CA 0.658 58.905 58.200 0.079 0.000 0.911 193 S CB -0.279 62.981 63.200 0.100 0.000 0.780 193 S HN 0.420 nan 8.310 nan 0.000 0.514 194 T N 1.011 115.623 114.554 0.097 0.000 2.903 194 T HA 0.390 4.742 4.350 0.004 0.000 0.299 194 T C 0.731 175.448 174.700 0.028 0.000 1.093 194 T CA -0.592 61.561 62.100 0.088 0.000 1.002 194 T CB 1.270 70.219 68.868 0.134 0.000 1.127 194 T HN 0.419 nan 8.240 nan 0.000 0.488 195 H N 2.247 121.257 119.070 -0.100 0.000 2.482 195 H HA 0.174 4.732 4.556 0.004 0.000 0.286 195 H C 0.219 175.458 175.328 -0.148 0.000 1.017 195 H CA 0.013 55.962 56.048 -0.165 0.000 1.322 195 H CB -0.458 29.143 29.762 -0.269 0.000 1.426 195 H HN 0.370 nan 8.280 nan 0.000 0.546 196 F N 3.586 123.304 119.950 -0.386 0.000 2.539 196 F HA 0.105 4.634 4.527 0.003 0.000 0.340 196 F C 0.878 176.668 175.800 -0.018 0.000 1.185 196 F CA -0.287 57.619 58.000 -0.157 0.000 1.333 196 F CB 0.398 39.300 39.000 -0.164 0.000 1.152 196 F HN 0.192 nan 8.300 nan 0.000 0.602 197 D N -0.717 119.833 120.400 0.249 0.000 2.192 197 D HA 0.318 4.960 4.640 0.004 0.000 0.246 197 D C -0.505 175.908 176.300 0.189 0.000 1.042 197 D CA -0.758 53.342 54.000 0.166 0.000 0.847 197 D CB 1.355 42.229 40.800 0.124 0.000 1.186 197 D HN 0.494 nan 8.370 nan 0.000 0.461 198 T N 0.018 114.655 114.554 0.137 0.000 2.779 198 T HA 0.626 4.979 4.350 0.004 0.000 0.280 198 T C -0.145 174.634 174.700 0.132 0.000 0.987 198 T CA -0.981 61.223 62.100 0.174 0.000 0.966 198 T CB 0.983 69.863 68.868 0.019 0.000 0.933 198 T HN 0.394 nan 8.240 nan 0.000 0.442 199 R N 2.994 123.655 120.500 0.268 0.000 2.664 199 R HA 0.675 5.017 4.340 0.004 0.000 0.286 199 R C -0.479 176.024 176.300 0.338 0.000 0.967 199 R CA -0.940 55.287 56.100 0.210 0.000 0.933 199 R CB 1.898 32.298 30.300 0.166 0.000 1.146 199 R HN 0.633 nan 8.270 nan 0.000 0.468 200 I N 1.341 122.042 120.570 0.217 0.000 2.404 200 I HA 0.089 4.261 4.170 0.004 0.000 0.293 200 I C 1.336 177.551 176.117 0.165 0.000 0.992 200 I CA -0.243 61.214 61.300 0.260 0.000 1.149 200 I CB 2.160 40.246 38.000 0.143 0.000 1.315 200 I HN 0.810 nan 8.210 nan 0.000 0.446 201 S N 3.671 119.462 115.700 0.151 0.000 2.348 201 S HA 0.120 4.592 4.470 0.004 0.000 0.219 201 S C 0.405 175.047 174.600 0.070 0.000 1.033 201 S CA 0.459 58.706 58.200 0.079 0.000 0.974 201 S CB 0.172 63.395 63.200 0.038 0.000 0.868 201 S HN 0.650 nan 8.310 nan 0.000 0.459 202 D N -0.193 120.258 120.400 0.086 0.000 2.602 202 D HA 0.448 5.091 4.640 0.004 0.000 0.236 202 D C -1.339 175.021 176.300 0.100 0.000 1.209 202 D CA -0.512 53.535 54.000 0.079 0.000 0.831 202 D CB 2.038 42.877 40.800 0.064 0.000 1.478 202 D HN 0.207 nan 8.370 nan 0.000 0.438 203 I N 1.331 121.953 120.570 0.087 0.000 2.328 203 I HA 0.290 4.462 4.170 0.004 0.000 0.287 203 I C -0.022 176.153 176.117 0.097 0.000 1.012 203 I CA -0.167 61.187 61.300 0.090 0.000 1.195 203 I CB 1.402 39.442 38.000 0.067 0.000 1.350 203 I HN 0.048 nan 8.210 nan 0.000 0.464 204 S N 7.844 123.613 115.700 0.115 0.000 2.541 204 S HA 0.569 5.042 4.470 0.004 0.000 0.271 204 S C -2.459 172.203 174.600 0.103 0.000 1.133 204 S CA -1.114 57.178 58.200 0.154 0.000 0.876 204 S CB 2.258 65.595 63.200 0.228 0.000 1.105 204 S HN 0.379 nan 8.310 nan 0.000 0.470 205 P HA 0.294 nan 4.420 nan 0.000 0.262 205 P C -0.581 176.566 177.300 -0.254 0.000 1.304 205 P CA -0.051 62.943 63.100 -0.177 0.000 0.859 205 P CB -0.369 31.136 31.700 -0.326 0.000 1.310 206 F N 1.932 121.919 119.950 0.062 0.000 2.408 206 F HA 0.294 4.823 4.527 0.004 0.000 0.344 206 F C 1.240 177.093 175.800 0.088 0.000 1.112 206 F CA -0.812 57.229 58.000 0.068 0.000 1.096 206 F CB 0.608 39.627 39.000 0.031 0.000 1.129 206 F HN -0.125 nan 8.300 nan 0.000 0.486 207 N N 2.021 120.899 118.700 0.296 0.000 2.491 207 N HA 0.395 5.138 4.740 0.004 0.000 0.279 207 N C -1.496 174.147 175.510 0.220 0.000 1.236 207 N CA -0.909 52.276 53.050 0.225 0.000 0.982 207 N CB 0.686 39.285 38.487 0.187 0.000 1.194 207 N HN 0.462 nan 8.380 nan 0.000 0.582 208 K N -0.480 120.009 120.400 0.149 0.000 2.307 208 K HA 0.629 4.951 4.320 0.004 0.000 0.263 208 K C -1.029 175.647 176.600 0.126 0.000 0.973 208 K CA -0.847 55.505 56.287 0.109 0.000 0.846 208 K CB 1.826 34.361 32.500 0.059 0.000 1.100 208 K HN 0.695 nan 8.250 nan 0.000 0.438 209 A N 2.757 125.652 122.820 0.124 0.000 2.301 209 A HA 0.648 4.970 4.320 0.004 0.000 0.298 209 A C -0.144 177.594 177.584 0.257 0.000 1.185 209 A CA -0.491 51.657 52.037 0.185 0.000 0.830 209 A CB 0.394 19.468 19.000 0.123 0.000 1.112 209 A HN 0.564 nan 8.150 nan 0.000 0.508 210 V N -0.498 119.596 119.914 0.301 0.000 3.202 210 V HA 0.916 5.038 4.120 0.004 0.000 0.306 210 V C -0.293 175.827 176.094 0.042 0.000 1.283 210 V CA -0.241 62.218 62.300 0.264 0.000 1.065 210 V CB 1.480 33.375 31.823 0.120 0.000 1.079 210 V HN 1.249 nan 8.190 nan 0.000 0.448 211 T N 0.150 114.676 114.554 -0.047 0.000 2.823 211 T HA 0.836 5.189 4.350 0.004 0.000 0.279 211 T C -0.227 174.409 174.700 -0.108 0.000 0.998 211 T CA -0.159 61.814 62.100 -0.211 0.000 0.994 211 T CB 1.198 69.873 68.868 -0.322 0.000 0.960 211 T HN 2.064 nan 8.240 nan 0.000 0.448 212 V N -0.411 119.437 119.914 -0.110 0.000 3.019 212 V HA 0.861 4.983 4.120 0.004 0.000 0.317 212 V C -3.061 172.986 176.094 -0.078 0.000 1.094 212 V CA -3.267 58.990 62.300 -0.071 0.000 1.000 212 V CB 1.314 33.108 31.823 -0.049 0.000 1.060 212 V HN 0.683 nan 8.190 nan 0.000 0.443 213 P HA 0.374 nan 4.420 nan 0.000 0.272 213 P C -0.314 176.948 177.300 -0.063 0.000 1.223 213 P CA -0.171 62.894 63.100 -0.058 0.000 0.784 213 P CB 1.181 32.860 31.700 -0.035 0.000 0.923 214 K N 1.204 121.563 120.400 -0.069 0.000 2.755 214 K HA 0.102 4.425 4.320 0.004 0.000 0.214 214 K C -0.041 176.513 176.600 -0.077 0.000 1.572 214 K CA 0.170 56.417 56.287 -0.068 0.000 1.020 214 K CB 0.274 32.741 32.500 -0.055 0.000 1.905 214 K HN 0.602 nan 8.250 nan 0.000 0.467 215 N N -1.632 117.034 118.700 -0.056 0.000 3.157 215 N HA 0.187 4.930 4.740 0.004 0.000 0.291 215 N C -0.155 175.350 175.510 -0.007 0.000 1.515 215 N CA -0.500 52.526 53.050 -0.039 0.000 0.807 215 N CB 1.177 39.651 38.487 -0.021 0.000 1.672 215 N HN -0.124 nan 8.380 nan 0.000 0.592 216 S N -0.820 114.906 115.700 0.043 0.000 2.474 216 S HA -0.019 4.453 4.470 0.004 0.000 0.235 216 S C 1.031 175.672 174.600 0.068 0.000 0.997 216 S CA 0.765 59.027 58.200 0.103 0.000 0.949 216 S CB -0.329 63.030 63.200 0.264 0.000 0.766 216 S HN 0.490 nan 8.310 nan 0.000 0.517 217 K N 0.229 120.650 120.400 0.034 0.000 2.211 217 K HA 0.132 4.455 4.320 0.004 0.000 0.201 217 K C 0.710 177.311 176.600 0.002 0.000 1.052 217 K CA 0.658 56.956 56.287 0.018 0.000 0.973 217 K CB 0.318 32.827 32.500 0.014 0.000 0.766 217 K HN 0.218 nan 8.250 nan 0.000 0.466 218 T N 0.377 114.924 114.554 -0.012 0.000 2.957 218 T HA 0.143 4.496 4.350 0.004 0.000 0.336 218 T C -1.753 172.909 174.700 -0.064 0.000 1.462 218 T CA -0.939 61.139 62.100 -0.037 0.000 1.073 218 T CB 1.487 70.338 68.868 -0.029 0.000 1.319 218 T HN -0.140 nan 8.240 nan 0.000 0.485 219 D N 1.457 121.793 120.400 -0.107 0.000 2.414 219 D HA 0.408 5.050 4.640 0.004 0.000 0.259 219 D C 0.207 176.420 176.300 -0.146 0.000 1.269 219 D CA -0.365 53.552 54.000 -0.138 0.000 1.028 219 D CB 0.476 41.156 40.800 -0.200 0.000 1.093 219 D HN 0.505 nan 8.370 nan 0.000 0.545 220 R N -0.430 119.978 120.500 -0.154 0.000 2.534 220 R HA 0.452 4.795 4.340 0.004 0.000 0.301 220 R C -1.286 174.897 176.300 -0.196 0.000 0.961 220 R CA -0.589 55.433 56.100 -0.130 0.000 0.871 220 R CB 0.793 31.050 30.300 -0.071 0.000 1.170 220 R HN 0.395 nan 8.270 nan 0.000 0.446 221 C N 6.184 125.370 119.300 -0.190 0.000 2.452 221 C HA 0.545 5.008 4.460 0.004 0.000 0.379 221 C C 0.501 175.476 174.990 -0.024 0.000 1.275 221 C CA -0.479 58.408 59.018 -0.217 0.000 2.056 221 C CB -0.708 26.932 27.740 -0.166 0.000 2.506 221 C HN 0.796 nan 8.230 nan 0.000 0.560 222 I N 0.302 120.874 120.570 0.003 0.000 3.264 222 I HA 0.975 5.147 4.170 0.004 0.000 0.315 222 I C -0.517 175.656 176.117 0.093 0.000 1.154 222 I CA -0.863 60.465 61.300 0.046 0.000 0.962 222 I CB 1.970 39.976 38.000 0.010 0.000 1.265 222 I HN 0.580 nan 8.210 nan 0.000 0.463 223 A N 2.390 125.250 122.820 0.068 0.000 2.401 223 A HA 0.849 5.171 4.320 0.004 0.000 0.310 223 A C -0.982 176.629 177.584 0.044 0.000 1.075 223 A CA -0.653 51.433 52.037 0.082 0.000 0.746 223 A CB 1.353 20.391 19.000 0.064 0.000 1.277 223 A HN 0.660 nan 8.150 nan 0.000 0.425 224 I N 2.332 122.936 120.570 0.056 0.000 2.330 224 I HA 0.257 4.430 4.170 0.004 0.000 0.289 224 I C -0.131 176.011 176.117 0.041 0.000 1.001 224 I CA -0.406 60.913 61.300 0.033 0.000 1.193 224 I CB 1.403 39.419 38.000 0.028 0.000 1.345 224 I HN 0.625 nan 8.210 nan 0.000 0.461 225 E N 7.347 127.561 120.200 0.023 0.000 2.318 225 E HA 0.335 4.687 4.350 0.004 0.000 0.265 225 E C -2.355 174.270 176.600 0.041 0.000 1.069 225 E CA -1.921 54.499 56.400 0.033 0.000 0.893 225 E CB 0.487 30.192 29.700 0.009 0.000 1.076 225 E HN 0.216 nan 8.360 nan 0.000 0.414 226 P HA -0.010 nan 4.420 nan 0.000 0.264 226 P C 0.916 178.256 177.300 0.068 0.000 1.193 226 P CA 0.271 63.416 63.100 0.073 0.000 0.763 226 P CB 0.443 32.216 31.700 0.121 0.000 0.810 227 G N 1.445 110.238 108.800 -0.012 0.000 2.442 227 G HA2 -0.240 3.722 3.960 0.004 0.000 0.219 227 G HA3 -0.240 3.722 3.960 0.004 0.000 0.219 227 G C 1.026 175.982 174.900 0.092 0.000 1.141 227 G CA 0.215 45.284 45.100 -0.052 0.000 0.763 227 G HN 0.494 nan 8.290 nan 0.000 0.554 228 W N 0.904 122.321 121.300 0.195 0.000 2.418 228 W HA 0.040 4.702 4.660 0.003 0.000 0.292 228 W C 2.651 179.334 176.519 0.274 0.000 1.213 228 W CA 0.393 57.852 57.345 0.189 0.000 1.283 228 W CB -0.046 29.516 29.460 0.169 0.000 1.119 228 W HN 0.137 nan 8.180 nan 0.000 0.542 229 N N 0.361 119.314 118.700 0.421 0.000 2.069 229 N HA -0.227 4.516 4.740 0.004 0.000 0.191 229 N C 1.664 177.308 175.510 0.224 0.000 1.031 229 N CA 1.931 55.156 53.050 0.291 0.000 0.852 229 N CB -0.549 38.031 38.487 0.156 0.000 1.018 229 N HN 0.121 nan 8.380 nan 0.000 0.423 230 M N 1.044 120.739 119.600 0.158 0.000 2.080 230 M HA -0.150 4.332 4.480 0.004 0.000 0.260 230 M C 1.883 178.226 176.300 0.071 0.000 1.068 230 M CA 1.347 56.698 55.300 0.085 0.000 1.109 230 M CB -1.033 31.611 32.600 0.074 0.000 1.342 230 M HN 0.133 nan 8.290 nan 0.000 0.405 231 F N -0.091 119.777 119.950 -0.138 0.000 2.087 231 F HA -0.299 4.230 4.527 0.004 0.000 0.299 231 F C 1.511 177.087 175.800 -0.374 0.000 1.100 231 F CA 2.155 59.872 58.000 -0.472 0.000 1.226 231 F CB -0.456 38.036 39.000 -0.847 0.000 0.983 231 F HN 0.227 nan 8.300 nan 0.000 0.479 232 F N -0.029 120.020 119.950 0.165 0.000 2.335 232 F HA -0.064 4.465 4.527 0.004 0.000 0.296 232 F C 2.426 178.238 175.800 0.020 0.000 1.091 232 F CA 0.859 58.897 58.000 0.064 0.000 1.399 232 F CB -0.745 38.282 39.000 0.045 0.000 1.067 232 F HN -0.078 nan 8.300 nan 0.000 0.520 233 Q N 0.023 119.937 119.800 0.191 0.000 2.077 233 Q HA -0.216 4.126 4.340 0.004 0.000 0.206 233 Q C 2.081 178.166 176.000 0.142 0.000 0.989 233 Q CA 1.292 57.200 55.803 0.175 0.000 0.853 233 Q CB -0.376 28.333 28.738 -0.048 0.000 0.907 233 Q HN 0.281 nan 8.270 nan 0.000 0.418 234 L N 0.182 121.421 121.223 0.027 0.000 2.131 234 L HA -0.096 4.246 4.340 0.004 0.000 0.210 234 L C 2.265 179.147 176.870 0.021 0.000 1.092 234 L CA 1.928 56.768 54.840 0.000 0.000 0.759 234 L CB -1.618 40.395 42.059 -0.078 0.000 0.903 234 L HN 0.298 nan 8.230 nan 0.000 0.435 235 G N -0.179 108.626 108.800 0.009 0.000 2.433 235 G HA2 -0.227 3.735 3.960 0.004 0.000 0.216 235 G HA3 -0.227 3.735 3.960 0.004 0.000 0.216 235 G C 1.582 176.551 174.900 0.115 0.000 1.186 235 G CA 0.623 45.772 45.100 0.082 0.000 0.779 235 G HN 0.248 nan 8.290 nan 0.000 0.543 236 I N 1.958 122.618 120.570 0.149 0.000 2.163 236 I HA -0.141 4.031 4.170 0.004 0.000 0.243 236 I C 3.093 179.304 176.117 0.157 0.000 1.085 236 I CA 1.544 62.952 61.300 0.179 0.000 1.347 236 I CB -1.681 36.451 38.000 0.221 0.000 1.044 236 I HN 0.245 nan 8.210 nan 0.000 0.408 237 G N 0.840 109.736 108.800 0.160 0.000 2.491 237 G HA2 -0.235 3.727 3.960 0.004 0.000 0.218 237 G HA3 -0.235 3.727 3.960 0.004 0.000 0.218 237 G C 1.762 176.644 174.900 -0.029 0.000 1.180 237 G CA 1.054 46.216 45.100 0.104 0.000 0.774 237 G HN 0.490 nan 8.290 nan 0.000 0.562 238 G N 0.848 109.572 108.800 -0.126 0.000 2.440 238 G HA2 -0.184 3.778 3.960 0.004 0.000 0.218 238 G HA3 -0.184 3.778 3.960 0.004 0.000 0.218 238 G C 1.792 176.233 174.900 -0.766 0.000 1.154 238 G CA 0.887 45.673 45.100 -0.522 0.000 0.767 238 G HN 0.463 nan 8.290 nan 0.000 0.552 239 I N -0.150 120.196 120.570 -0.373 0.000 2.202 239 I HA -0.092 4.080 4.170 0.004 0.000 0.242 239 I C 2.554 178.638 176.117 -0.054 0.000 1.091 239 I CA 0.289 61.525 61.300 -0.107 0.000 1.368 239 I CB -0.187 37.916 38.000 0.172 0.000 1.058 239 I HN 0.065 nan 8.210 nan 0.000 0.410 240 L N 0.699 121.897 121.223 -0.040 0.000 2.042 240 L HA -0.212 4.131 4.340 0.004 0.000 0.210 240 L C 2.597 179.379 176.870 -0.147 0.000 1.076 240 L CA 1.735 56.496 54.840 -0.131 0.000 0.749 240 L CB -1.136 40.847 42.059 -0.127 0.000 0.893 240 L HN 0.185 nan 8.230 nan 0.000 0.432 241 R N -0.583 119.845 120.500 -0.121 0.000 2.081 241 R HA -0.174 4.168 4.340 0.004 0.000 0.235 241 R C 1.907 178.167 176.300 -0.067 0.000 1.131 241 R CA 1.627 57.678 56.100 -0.082 0.000 0.960 241 R CB -0.075 30.197 30.300 -0.046 0.000 0.856 241 R HN 0.326 nan 8.270 nan 0.000 0.436 242 D N -0.116 120.235 120.400 -0.082 0.000 2.084 242 D HA -0.144 4.498 4.640 0.004 0.000 0.194 242 D C 2.017 178.286 176.300 -0.050 0.000 0.990 242 D CA 1.048 55.033 54.000 -0.024 0.000 0.826 242 D CB -0.083 40.734 40.800 0.029 0.000 0.971 242 D HN 0.099 nan 8.370 nan 0.000 0.453 243 R N 0.257 120.696 120.500 -0.101 0.000 2.092 243 R HA 0.011 4.353 4.340 0.004 0.000 0.231 243 R C 2.524 178.672 176.300 -0.254 0.000 1.119 243 R CA 0.242 56.238 56.100 -0.173 0.000 0.970 243 R CB -0.954 29.207 30.300 -0.232 0.000 0.864 243 R HN 0.314 nan 8.270 nan 0.000 0.440 244 L N 0.425 121.507 121.223 -0.234 0.000 2.265 244 L HA -0.123 4.219 4.340 0.004 0.000 0.215 244 L C 2.515 179.349 176.870 -0.059 0.000 1.117 244 L CA 1.038 55.753 54.840 -0.209 0.000 0.782 244 L CB -0.292 41.690 42.059 -0.130 0.000 0.914 244 L HN 0.122 nan 8.230 nan 0.000 0.441 245 R N -0.961 119.519 120.500 -0.032 0.000 2.159 245 R HA -0.172 4.170 4.340 0.004 0.000 0.237 245 R C 2.206 178.536 176.300 0.050 0.000 1.131 245 R CA 1.505 57.622 56.100 0.028 0.000 0.982 245 R CB -0.614 29.704 30.300 0.029 0.000 0.868 245 R HN 0.434 nan 8.270 nan 0.000 0.453 246 C N -1.063 118.238 119.300 0.003 0.000 2.449 246 C HA -0.050 4.412 4.460 0.004 0.000 0.283 246 C C 1.066 176.204 174.990 0.248 0.000 1.453 246 C CA -0.133 58.920 59.018 0.058 0.000 1.779 246 C CB -0.894 26.832 27.740 -0.023 0.000 1.779 246 C HN 0.574 nan 8.230 nan 0.000 0.546 247 W N 0.230 121.531 121.300 0.001 0.000 3.102 247 W HA 0.383 5.045 4.660 0.004 0.000 0.401 247 W C 1.504 178.029 176.519 0.011 0.000 1.070 247 W CA -0.096 57.250 57.345 0.002 0.000 1.921 247 W CB -1.138 28.318 29.460 -0.006 0.000 1.118 247 W HN 0.418 nan 8.180 nan 0.000 0.647 248 G N 1.372 110.301 108.800 0.214 0.000 2.179 248 G HA2 -0.325 3.637 3.960 0.004 0.000 0.257 248 G HA3 -0.325 3.637 3.960 0.004 0.000 0.257 248 G C 0.021 175.002 174.900 0.134 0.000 1.010 248 G CA -0.008 45.175 45.100 0.138 0.000 0.736 248 G HN 0.241 nan 8.290 nan 0.000 0.513 249 I N 0.810 121.473 120.570 0.154 0.000 2.330 249 I HA 0.318 4.490 4.170 0.004 0.000 0.289 249 I C -0.680 175.504 176.117 0.113 0.000 1.001 249 I CA -0.686 60.697 61.300 0.140 0.000 1.193 249 I CB 1.615 39.708 38.000 0.155 0.000 1.345 249 I HN -0.005 nan 8.210 nan 0.000 0.461 250 D N 7.274 127.755 120.400 0.135 0.000 2.472 250 D HA 0.257 4.899 4.640 0.004 0.000 0.234 250 D C 0.718 177.151 176.300 0.221 0.000 1.088 250 D CA -0.330 53.755 54.000 0.141 0.000 0.882 250 D CB 1.185 42.059 40.800 0.124 0.000 1.037 250 D HN 0.435 nan 8.370 nan 0.000 0.520 251 L N 2.679 124.020 121.223 0.196 0.000 2.633 251 L HA -0.010 4.332 4.340 0.004 0.000 0.235 251 L C 1.213 178.325 176.870 0.404 0.000 1.163 251 L CA 0.337 55.343 54.840 0.278 0.000 0.859 251 L CB -0.140 41.987 42.059 0.114 0.000 0.973 251 L HN 0.284 nan 8.230 nan 0.000 0.451 252 N N -0.765 118.108 118.700 0.289 0.000 2.299 252 N HA -0.008 4.735 4.740 0.004 0.000 0.187 252 N C -0.029 175.615 175.510 0.225 0.000 1.099 252 N CA 0.417 53.613 53.050 0.243 0.000 0.867 252 N CB 0.402 38.983 38.487 0.157 0.000 0.974 252 N HN 0.151 nan 8.380 nan 0.000 0.477 253 D N 0.448 120.989 120.400 0.236 0.000 2.420 253 D HA 0.183 4.825 4.640 0.004 0.000 0.255 253 D C 0.459 176.787 176.300 0.047 0.000 1.185 253 D CA -0.242 53.833 54.000 0.125 0.000 0.904 253 D CB 0.880 41.740 40.800 0.099 0.000 1.102 253 D HN -0.125 nan 8.370 nan 0.000 0.534 254 Q N 0.843 120.578 119.800 -0.108 0.000 2.436 254 Q HA -0.056 4.286 4.340 0.004 0.000 0.209 254 Q C 1.594 177.502 176.000 -0.153 0.000 0.965 254 Q CA 1.188 56.774 55.803 -0.362 0.000 0.910 254 Q CB 0.305 28.784 28.738 -0.432 0.000 0.980 254 Q HN 0.609 nan 8.270 nan 0.000 0.491 255 T N -1.954 112.569 114.554 -0.053 0.000 3.023 255 T HA -0.019 4.334 4.350 0.004 0.000 0.266 255 T C 1.763 176.461 174.700 -0.003 0.000 1.093 255 T CA 0.310 62.402 62.100 -0.015 0.000 1.129 255 T CB -0.148 68.722 68.868 0.003 0.000 0.899 255 T HN 0.139 nan 8.240 nan 0.000 0.491 256 I N 2.060 122.633 120.570 0.005 0.000 2.127 256 I HA -0.203 3.969 4.170 0.004 0.000 0.241 256 I C 2.837 178.965 176.117 0.018 0.000 1.075 256 I CA 1.601 62.913 61.300 0.022 0.000 1.334 256 I CB -0.488 37.542 38.000 0.050 0.000 1.040 256 I HN 0.362 nan 8.210 nan 0.000 0.405 257 N N 0.003 118.712 118.700 0.015 0.000 2.166 257 N HA -0.211 4.531 4.740 0.004 0.000 0.186 257 N C 1.877 177.404 175.510 0.028 0.000 1.019 257 N CA 1.063 54.128 53.050 0.025 0.000 0.856 257 N CB -0.008 38.497 38.487 0.031 0.000 0.993 257 N HN 0.469 nan 8.380 nan 0.000 0.426 258 Q N 0.654 120.473 119.800 0.030 0.000 2.050 258 Q HA -0.100 4.243 4.340 0.004 0.000 0.202 258 Q C 2.061 178.107 176.000 0.077 0.000 0.980 258 Q CA 1.217 57.086 55.803 0.109 0.000 0.840 258 Q CB -0.048 28.759 28.738 0.116 0.000 0.898 258 Q HN 0.312 nan 8.270 nan 0.000 0.424 259 R N 0.285 120.786 120.500 0.002 0.000 2.081 259 R HA -0.065 4.277 4.340 0.004 0.000 0.235 259 R C 2.293 178.560 176.300 -0.055 0.000 1.131 259 R CA 1.017 57.080 56.100 -0.062 0.000 0.960 259 R CB -0.173 30.098 30.300 -0.049 0.000 0.856 259 R HN 0.199 nan 8.270 nan 0.000 0.436 260 R N 0.331 120.815 120.500 -0.027 0.000 2.115 260 R HA -0.029 4.314 4.340 0.004 0.000 0.230 260 R C 2.258 178.522 176.300 -0.059 0.000 1.111 260 R CA 1.176 57.257 56.100 -0.032 0.000 0.976 260 R CB -0.365 29.930 30.300 -0.008 0.000 0.870 260 R HN 0.209 nan 8.270 nan 0.000 0.445 261 A N 0.820 123.615 122.820 -0.040 0.000 1.902 261 A HA -0.248 4.074 4.320 0.004 0.000 0.217 261 A C 2.021 179.498 177.584 -0.178 0.000 1.181 261 A CA 1.908 53.917 52.037 -0.046 0.000 0.623 261 A CB -0.760 18.287 19.000 0.078 0.000 0.818 261 A HN 0.486 nan 8.150 nan 0.000 0.443 262 H N -0.307 118.433 119.070 -0.550 0.000 2.321 262 H HA -0.146 4.412 4.556 0.004 0.000 0.300 262 H C 2.020 177.096 175.328 -0.421 0.000 1.087 262 H CA 2.071 57.566 56.048 -0.920 0.000 1.319 262 H CB -0.228 28.780 29.762 -1.256 0.000 1.379 262 H HN 0.602 nan 8.280 nan 0.000 0.501 263 E N -0.306 119.719 120.200 -0.293 0.000 2.058 263 E HA -0.166 4.186 4.350 0.004 0.000 0.194 263 E C 2.452 178.907 176.600 -0.241 0.000 0.997 263 E CA 1.211 57.471 56.400 -0.235 0.000 0.801 263 E CB -0.590 29.053 29.700 -0.095 0.000 0.746 263 E HN 0.677 nan 8.360 nan 0.000 0.450 264 G N 0.325 109.009 108.800 -0.194 0.000 2.432 264 G HA2 -0.293 3.670 3.960 0.004 0.000 0.219 264 G HA3 -0.293 3.670 3.960 0.004 0.000 0.219 264 G C 1.692 176.470 174.900 -0.202 0.000 1.135 264 G CA 1.115 46.119 45.100 -0.160 0.000 0.767 264 G HN 0.444 nan 8.290 nan 0.000 0.550 265 S N -0.221 115.315 115.700 -0.273 0.000 2.453 265 S HA 0.026 4.498 4.470 0.004 0.000 0.231 265 S C 2.116 176.540 174.600 -0.293 0.000 1.005 265 S CA 1.187 59.214 58.200 -0.288 0.000 0.949 265 S CB 0.035 63.065 63.200 -0.282 0.000 0.774 265 S HN 0.099 nan 8.310 nan 0.000 0.510 266 V N 2.309 122.028 119.914 -0.324 0.000 2.436 266 V HA -0.022 4.100 4.120 0.004 0.000 0.240 266 V C 3.082 179.067 176.094 -0.183 0.000 1.040 266 V CA 1.773 63.914 62.300 -0.266 0.000 1.052 266 V CB -0.906 30.730 31.823 -0.311 0.000 0.707 266 V HN 0.808 nan 8.190 nan 0.000 0.469 267 T N -3.697 110.758 114.554 -0.165 0.000 3.035 267 T HA -0.041 4.311 4.350 0.004 0.000 0.259 267 T C 1.249 175.887 174.700 -0.103 0.000 1.078 267 T CA 0.770 62.801 62.100 -0.116 0.000 1.132 267 T CB -0.234 68.576 68.868 -0.097 0.000 0.900 267 T HN 0.365 nan 8.240 nan 0.000 0.480 268 N N 1.416 120.048 118.700 -0.115 0.000 2.778 268 N HA -0.188 4.555 4.740 0.004 0.000 0.249 268 N C 0.108 175.576 175.510 -0.070 0.000 1.069 268 N CA 1.133 54.127 53.050 -0.092 0.000 0.831 268 N CB -1.809 36.627 38.487 -0.084 0.000 1.142 268 N HN 0.735 nan 8.380 nan 0.000 0.573 269 N N -0.444 118.214 118.700 -0.070 0.000 2.325 269 N HA 0.190 4.932 4.740 0.004 0.000 0.182 269 N C 0.014 175.493 175.510 -0.052 0.000 1.088 269 N CA 0.212 53.229 53.050 -0.056 0.000 0.879 269 N CB 0.496 38.950 38.487 -0.054 0.000 0.983 269 N HN 0.177 nan 8.380 nan 0.000 0.471 270 L N 0.786 121.975 121.223 -0.057 0.000 2.334 270 L HA 0.680 5.022 4.340 0.004 0.000 0.276 270 L C -0.523 176.325 176.870 -0.036 0.000 1.014 270 L CA -0.965 53.848 54.840 -0.046 0.000 0.815 270 L CB 1.755 43.784 42.059 -0.049 0.000 1.268 270 L HN -0.083 nan 8.230 nan 0.000 0.428 271 A N 1.076 123.883 122.820 -0.022 0.000 2.324 271 A HA 0.732 5.054 4.320 0.004 0.000 0.330 271 A C -0.127 177.470 177.584 0.022 0.000 1.165 271 A CA -0.487 51.551 52.037 0.003 0.000 0.813 271 A CB 1.233 20.227 19.000 -0.010 0.000 1.197 271 A HN 0.675 nan 8.150 nan 0.000 0.484 272 T N -0.467 114.128 114.554 0.069 0.000 2.767 272 T HA 0.597 4.949 4.350 0.004 0.000 0.284 272 T C -0.581 174.181 174.700 0.102 0.000 0.973 272 T CA -0.567 61.586 62.100 0.089 0.000 0.996 272 T CB 0.890 69.821 68.868 0.105 0.000 0.927 272 T HN 0.502 nan 8.240 nan 0.000 0.456 273 V N 3.371 123.320 119.914 0.058 0.000 2.378 273 V HA 0.402 4.524 4.120 0.004 0.000 0.288 273 V C -0.298 175.813 176.094 0.028 0.000 1.016 273 V CA -0.800 61.517 62.300 0.028 0.000 0.840 273 V CB 1.355 33.181 31.823 0.003 0.000 0.994 273 V HN 1.037 nan 8.190 nan 0.000 0.431 274 D N 4.393 124.811 120.400 0.030 0.000 2.232 274 D HA 0.428 5.070 4.640 0.004 0.000 0.242 274 D C -0.503 175.781 176.300 -0.027 0.000 1.093 274 D CA -0.175 53.840 54.000 0.025 0.000 0.845 274 D CB 1.131 41.978 40.800 0.079 0.000 1.124 274 D HN 0.424 nan 8.370 nan 0.000 0.467 275 L N 3.477 124.643 121.223 -0.095 0.000 2.255 275 L HA 0.204 4.546 4.340 0.004 0.000 0.289 275 L C 0.615 177.439 176.870 -0.077 0.000 1.046 275 L CA -0.693 54.051 54.840 -0.159 0.000 0.816 275 L CB 1.308 43.097 42.059 -0.449 0.000 1.197 275 L HN 0.436 nan 8.230 nan 0.000 0.427 276 S N 4.321 120.002 115.700 -0.030 0.000 3.007 276 S HA 0.070 4.542 4.470 0.004 0.000 0.312 276 S C 1.258 175.863 174.600 0.008 0.000 1.068 276 S CA 0.228 58.431 58.200 0.005 0.000 1.597 276 S CB -0.664 62.548 63.200 0.021 0.000 1.495 276 S HN 0.858 nan 8.310 nan 0.000 0.612 277 A N 2.869 125.697 122.820 0.013 0.000 2.550 277 A HA -0.224 4.098 4.320 0.004 0.000 0.298 277 A C 1.316 178.915 177.584 0.025 0.000 1.485 277 A CA 0.922 52.975 52.037 0.028 0.000 0.780 277 A CB -2.013 17.012 19.000 0.041 0.000 1.045 277 A HN 1.661 nan 8.150 nan 0.000 0.423 278 A N 0.077 122.888 122.820 -0.016 0.000 2.276 278 A HA 0.373 4.695 4.320 0.004 0.000 0.212 278 A C 1.802 179.389 177.584 0.007 0.000 1.230 278 A CA 1.162 53.183 52.037 -0.026 0.000 0.844 278 A CB -0.739 18.136 19.000 -0.208 0.000 0.860 278 A HN 1.850 nan 8.150 nan 0.000 0.486 279 S N -0.825 114.900 115.700 0.043 0.000 2.607 279 S HA 0.007 4.479 4.470 0.004 0.000 0.224 279 S C 0.245 174.874 174.600 0.047 0.000 0.969 279 S CA 0.719 58.950 58.200 0.050 0.000 0.927 279 S CB -0.019 63.226 63.200 0.075 0.000 0.772 279 S HN 0.442 nan 8.310 nan 0.000 0.533 280 D N 0.253 120.687 120.400 0.057 0.000 2.527 280 D HA 0.270 4.913 4.640 0.004 0.000 0.224 280 D C 0.298 176.635 176.300 0.062 0.000 1.217 280 D CA 0.052 54.086 54.000 0.058 0.000 0.819 280 D CB 0.748 41.590 40.800 0.071 0.000 1.061 280 D HN 0.315 nan 8.370 nan 0.000 0.515 281 S N -0.115 115.649 115.700 0.107 0.000 2.603 281 S HA 0.288 4.761 4.470 0.004 0.000 0.232 281 S C 0.884 175.647 174.600 0.271 0.000 1.016 281 S CA -0.328 57.976 58.200 0.172 0.000 0.976 281 S CB 1.111 64.453 63.200 0.238 0.000 0.921 281 S HN 0.183 nan 8.310 nan 0.000 0.516 282 I N 4.190 124.895 120.570 0.225 0.000 2.389 282 I HA 0.084 4.256 4.170 0.004 0.000 0.295 282 I C 0.663 176.848 176.117 0.113 0.000 1.117 282 I CA -0.129 61.306 61.300 0.225 0.000 1.317 282 I CB -0.049 38.009 38.000 0.097 0.000 1.431 282 I HN 0.213 nan 8.210 nan 0.000 0.521 283 S N 5.744 121.483 115.700 0.065 0.000 2.592 283 S HA 0.197 4.669 4.470 0.004 0.000 0.271 283 S C 1.139 175.770 174.600 0.051 0.000 1.326 283 S CA -0.825 57.390 58.200 0.024 0.000 1.024 283 S CB 1.850 65.014 63.200 -0.061 0.000 0.921 283 S HN 0.426 nan 8.310 nan 0.000 0.527 284 L N 2.061 123.346 121.223 0.103 0.000 2.051 284 L HA -0.131 4.211 4.340 0.004 0.000 0.214 284 L C 2.878 179.832 176.870 0.140 0.000 1.076 284 L CA 2.319 57.288 54.840 0.216 0.000 0.758 284 L CB -2.120 40.104 42.059 0.276 0.000 0.890 284 L HN 1.003 nan 8.230 nan 0.000 0.433 285 A N -1.145 121.611 122.820 -0.106 0.000 1.877 285 A HA -0.203 4.119 4.320 0.004 0.000 0.216 285 A C 2.274 179.667 177.584 -0.318 0.000 1.186 285 A CA 1.688 53.426 52.037 -0.499 0.000 0.620 285 A CB -0.826 17.603 19.000 -0.952 0.000 0.822 285 A HN 0.356 nan 8.150 nan 0.000 0.443 286 L N -0.045 121.049 121.223 -0.214 0.000 2.042 286 L HA -0.183 4.159 4.340 0.004 0.000 0.210 286 L C 2.435 179.251 176.870 -0.091 0.000 1.076 286 L CA 2.182 56.927 54.840 -0.159 0.000 0.749 286 L CB -0.836 41.135 42.059 -0.147 0.000 0.893 286 L HN 0.489 nan 8.230 nan 0.000 0.432 287 C N -0.652 118.641 119.300 -0.012 0.000 2.440 287 C HA -0.132 4.330 4.460 0.004 0.000 0.278 287 C C 2.671 177.611 174.990 -0.083 0.000 1.295 287 C CA 0.927 59.983 59.018 0.063 0.000 1.738 287 C CB -0.925 26.976 27.740 0.268 0.000 1.987 287 C HN 0.655 nan 8.230 nan 0.000 0.492 288 E N 0.642 120.616 120.200 -0.376 0.000 2.106 288 E HA -0.128 4.225 4.350 0.004 0.000 0.192 288 E C 2.003 178.366 176.600 -0.395 0.000 0.984 288 E CA 0.841 56.681 56.400 -0.933 0.000 0.806 288 E CB -0.078 29.014 29.700 -1.013 0.000 0.750 288 E HN 0.614 nan 8.360 nan 0.000 0.458 289 L N 0.312 121.399 121.223 -0.226 0.000 2.141 289 L HA -0.137 4.206 4.340 0.004 0.000 0.209 289 L C 2.316 179.144 176.870 -0.070 0.000 1.094 289 L CA 0.717 55.485 54.840 -0.120 0.000 0.763 289 L CB -0.151 41.842 42.059 -0.110 0.000 0.908 289 L HN 0.245 nan 8.230 nan 0.000 0.437 290 L N -0.954 120.229 121.223 -0.066 0.000 2.249 290 L HA 0.076 4.418 4.340 0.004 0.000 0.207 290 L C 0.775 177.632 176.870 -0.022 0.000 1.090 290 L CA 0.087 54.913 54.840 -0.024 0.000 0.802 290 L CB 0.164 42.215 42.059 -0.013 0.000 0.947 290 L HN 0.123 nan 8.230 nan 0.000 0.453 291 L N 0.244 121.453 121.223 -0.023 0.000 2.357 291 L HA 0.326 4.668 4.340 0.004 0.000 0.273 291 L C -2.118 174.790 176.870 0.063 0.000 1.080 291 L CA -2.097 52.751 54.840 0.013 0.000 0.803 291 L CB 0.524 42.651 42.059 0.114 0.000 1.174 291 L HN -0.222 nan 8.230 nan 0.000 0.443 292 P HA 0.070 nan 4.420 nan 0.000 0.266 292 P C -2.148 175.293 177.300 0.236 0.000 1.195 292 P CA -1.020 62.182 63.100 0.169 0.000 0.768 292 P CB 0.088 31.936 31.700 0.246 0.000 0.838 293 P HA -0.188 nan 4.420 nan 0.000 0.216 293 P C 1.589 179.023 177.300 0.223 0.000 1.153 293 P CA 1.964 65.185 63.100 0.201 0.000 0.858 293 P CB -0.398 31.380 31.700 0.130 0.000 0.789 294 G N -1.553 107.350 108.800 0.173 0.000 2.440 294 G HA2 -0.246 3.716 3.960 0.004 0.000 0.218 294 G HA3 -0.246 3.716 3.960 0.004 0.000 0.218 294 G C 1.271 176.212 174.900 0.067 0.000 1.154 294 G CA 0.606 45.761 45.100 0.092 0.000 0.767 294 G HN 0.242 nan 8.290 nan 0.000 0.552 295 W N -0.294 121.046 121.300 0.066 0.000 2.379 295 W HA 0.131 4.793 4.660 0.003 0.000 0.307 295 W C 2.229 178.783 176.519 0.058 0.000 1.200 295 W CA 0.603 57.970 57.345 0.036 0.000 1.297 295 W CB -0.640 28.827 29.460 0.013 0.000 1.140 295 W HN 0.148 nan 8.180 nan 0.000 0.507 296 F N 1.711 121.783 119.950 0.204 0.000 2.095 296 F HA -0.245 4.284 4.527 0.004 0.000 0.298 296 F C 2.327 178.174 175.800 0.079 0.000 1.104 296 F CA 1.983 60.052 58.000 0.116 0.000 1.232 296 F CB -0.649 38.412 39.000 0.102 0.000 0.987 296 F HN -0.220 nan 8.300 nan 0.000 0.475 297 E N 0.220 120.465 120.200 0.075 0.000 2.086 297 E HA -0.208 4.145 4.350 0.004 0.000 0.200 297 E C 2.486 179.039 176.600 -0.078 0.000 1.012 297 E CA 1.762 58.141 56.400 -0.037 0.000 0.812 297 E CB -0.882 28.849 29.700 0.051 0.000 0.743 297 E HN 0.365 nan 8.360 nan 0.000 0.453 298 V N 1.091 120.977 119.914 -0.046 0.000 2.358 298 V HA -0.227 3.896 4.120 0.004 0.000 0.246 298 V C 2.443 178.473 176.094 -0.107 0.000 1.047 298 V CA 1.072 63.339 62.300 -0.055 0.000 1.035 298 V CB -0.418 31.344 31.823 -0.103 0.000 0.658 298 V HN 0.158 nan 8.190 nan 0.000 0.452 299 L N -0.834 120.311 121.223 -0.131 0.000 2.079 299 L HA -0.174 4.168 4.340 0.004 0.000 0.210 299 L C 2.362 179.180 176.870 -0.087 0.000 1.081 299 L CA 1.963 56.709 54.840 -0.158 0.000 0.752 299 L CB -0.838 41.079 42.059 -0.236 0.000 0.896 299 L HN 0.256 nan 8.230 nan 0.000 0.433 300 M N -1.390 118.056 119.600 -0.256 0.000 2.200 300 M HA -0.137 4.345 4.480 0.004 0.000 0.265 300 M C 1.752 177.987 176.300 -0.108 0.000 1.066 300 M CA 1.107 56.259 55.300 -0.246 0.000 1.127 300 M CB -0.937 31.407 32.600 -0.427 0.000 1.379 300 M HN 0.195 nan 8.290 nan 0.000 0.420 301 D N 0.579 120.926 120.400 -0.089 0.000 2.144 301 D HA -0.075 4.567 4.640 0.004 0.000 0.199 301 D C 2.070 178.308 176.300 -0.102 0.000 0.984 301 D CA 1.185 55.153 54.000 -0.053 0.000 0.834 301 D CB -0.011 40.801 40.800 0.020 0.000 0.955 301 D HN 0.348 nan 8.370 nan 0.000 0.465 302 L N 0.175 121.339 121.223 -0.099 0.000 2.513 302 L HA 0.145 4.487 4.340 0.004 0.000 0.222 302 L C 1.281 178.166 176.870 0.025 0.000 1.096 302 L CA -0.213 54.590 54.840 -0.063 0.000 0.857 302 L CB 0.001 42.042 42.059 -0.030 0.000 1.026 302 L HN -0.045 nan 8.230 nan 0.000 0.469 303 R N 0.273 120.808 120.500 0.058 0.000 2.801 303 R HA 0.213 4.555 4.340 0.004 0.000 0.273 303 R C -0.363 175.944 176.300 0.011 0.000 1.080 303 R CA -0.297 55.812 56.100 0.015 0.000 1.197 303 R CB 0.320 30.655 30.300 0.058 0.000 1.109 303 R HN -0.158 nan 8.270 nan 0.000 0.535 304 S N 2.080 117.788 115.700 0.013 0.000 2.422 304 S HA 0.198 4.670 4.470 0.004 0.000 0.298 304 S C -1.855 172.835 174.600 0.150 0.000 1.118 304 S CA -1.357 56.886 58.200 0.072 0.000 1.083 304 S CB 1.804 65.072 63.200 0.113 0.000 0.971 304 S HN 0.558 nan 8.310 nan 0.000 0.478 305 P HA 0.028 nan 4.420 nan 0.000 0.222 305 P C -0.159 177.222 177.300 0.136 0.000 1.153 305 P CA 0.935 64.102 63.100 0.111 0.000 0.798 305 P CB 0.288 31.982 31.700 -0.010 0.000 0.796 306 K N -0.933 119.469 120.400 0.004 0.000 2.444 306 K HA 0.686 5.008 4.320 0.004 0.000 0.252 306 K C -0.162 176.436 176.600 -0.003 0.000 0.993 306 K CA -0.908 55.247 56.287 -0.219 0.000 0.847 306 K CB 2.449 34.603 32.500 -0.576 0.000 1.340 306 K HN -0.147 nan 8.250 nan 0.000 0.446 307 G N 0.631 109.360 108.800 -0.119 0.000 2.563 307 G HA2 0.522 4.484 3.960 0.004 0.000 0.302 307 G HA3 0.522 4.484 3.960 0.004 0.000 0.302 307 G C -1.472 173.560 174.900 0.219 0.000 1.301 307 G CA -0.638 44.563 45.100 0.169 0.000 0.965 307 G HN 0.402 nan 8.290 nan 0.000 0.480 308 R N 1.603 122.201 120.500 0.163 0.000 2.343 308 R HA 0.432 4.774 4.340 0.004 0.000 0.320 308 R C -0.192 176.047 176.300 -0.102 0.000 0.956 308 R CA -0.707 55.376 56.100 -0.028 0.000 0.836 308 R CB 0.838 31.055 30.300 -0.139 0.000 1.151 308 R HN 0.288 nan 8.270 nan 0.000 0.450 309 L N 5.628 126.723 121.223 -0.214 0.000 2.456 309 L HA 0.277 4.619 4.340 0.004 0.000 0.257 309 L C -1.378 175.324 176.870 -0.279 0.000 1.162 309 L CA -1.878 52.727 54.840 -0.391 0.000 0.808 309 L CB 0.949 42.641 42.059 -0.612 0.000 1.136 309 L HN 0.544 nan 8.230 nan 0.000 0.466 310 P HA -0.145 nan 4.420 nan 0.000 0.218 310 P C 0.543 177.765 177.300 -0.130 0.000 1.148 310 P CA 1.024 64.054 63.100 -0.116 0.000 0.822 310 P CB 0.100 31.800 31.700 -0.000 0.000 0.784 311 D N -2.195 118.090 120.400 -0.191 0.000 2.336 311 D HA 0.120 4.762 4.640 0.004 0.000 0.229 311 D C 1.434 177.653 176.300 -0.136 0.000 1.061 311 D CA 0.631 54.545 54.000 -0.144 0.000 0.875 311 D CB -0.894 39.817 40.800 -0.149 0.000 0.904 311 D HN 0.234 nan 8.370 nan 0.000 0.525 312 G N -0.003 108.705 108.800 -0.154 0.000 2.241 312 G HA2 -0.311 3.651 3.960 0.004 0.000 0.244 312 G HA3 -0.311 3.651 3.960 0.004 0.000 0.244 312 G C 0.519 175.330 174.900 -0.149 0.000 0.998 312 G CA 0.274 45.288 45.100 -0.143 0.000 0.621 312 G HN 0.845 nan 8.290 nan 0.000 0.519 313 S N 0.122 115.732 115.700 -0.151 0.000 2.572 313 S HA 0.623 5.095 4.470 0.004 0.000 0.279 313 S C 0.540 175.070 174.600 -0.117 0.000 1.341 313 S CA 0.055 58.180 58.200 -0.124 0.000 1.043 313 S CB 1.974 65.100 63.200 -0.123 0.000 0.887 313 S HN 1.868 nan 8.310 nan 0.000 0.516 314 V N 0.067 119.947 119.914 -0.058 0.000 2.850 314 V HA 0.907 5.030 4.120 0.004 0.000 0.315 314 V C -0.074 176.015 176.094 -0.009 0.000 1.064 314 V CA -0.909 61.398 62.300 0.012 0.000 0.979 314 V CB 1.364 33.281 31.823 0.157 0.000 1.039 314 V HN 0.935 nan 8.190 nan 0.000 0.452 315 V N 2.103 121.986 119.914 -0.051 0.000 2.789 315 V HA 0.648 4.770 4.120 0.004 0.000 0.311 315 V C -0.041 175.889 176.094 -0.273 0.000 1.073 315 V CA 0.072 62.286 62.300 -0.144 0.000 0.921 315 V CB 2.494 34.236 31.823 -0.134 0.000 1.009 315 V HN 1.151 nan 8.190 nan 0.000 0.426 316 T N 6.867 121.312 114.554 -0.182 0.000 2.753 316 T HA 0.453 4.805 4.350 0.004 0.000 0.297 316 T C -0.834 173.802 174.700 -0.106 0.000 0.981 316 T CA 0.166 62.171 62.100 -0.159 0.000 0.956 316 T CB 0.008 68.837 68.868 -0.066 0.000 0.936 316 T HN 0.522 nan 8.240 nan 0.000 0.463 317 Y N 2.911 123.235 120.300 0.040 0.000 2.632 317 Y HA 0.043 4.596 4.550 0.004 0.000 0.329 317 Y C 1.809 177.729 175.900 0.034 0.000 1.174 317 Y CA -0.333 57.792 58.100 0.043 0.000 1.469 317 Y CB 0.434 38.930 38.460 0.060 0.000 1.242 317 Y HN 0.630 nan 8.280 nan 0.000 0.540 318 E N 2.712 123.020 120.200 0.180 0.000 2.122 318 E HA -0.082 4.271 4.350 0.004 0.000 0.190 318 E C 0.548 177.220 176.600 0.119 0.000 0.977 318 E CA 0.438 56.909 56.400 0.119 0.000 0.820 318 E CB 0.018 29.755 29.700 0.062 0.000 0.770 318 E HN 0.664 nan 8.360 nan 0.000 0.462 319 K N 0.785 121.254 120.400 0.115 0.000 2.230 319 K HA 0.080 4.402 4.320 0.004 0.000 0.253 319 K C 1.250 177.902 176.600 0.087 0.000 1.008 319 K CA -0.185 56.151 56.287 0.083 0.000 0.910 319 K CB 1.149 33.676 32.500 0.045 0.000 0.994 319 K HN -0.132 nan 8.250 nan 0.000 0.495 320 I N 0.567 121.186 120.570 0.083 0.000 2.286 320 I HA -0.196 3.976 4.170 0.004 0.000 0.245 320 I C 0.154 176.292 176.117 0.036 0.000 1.104 320 I CA 1.531 62.889 61.300 0.098 0.000 1.397 320 I CB 0.188 38.274 38.000 0.143 0.000 1.072 320 I HN 0.969 nan 8.210 nan 0.000 0.417 321 S N -1.814 113.874 115.700 -0.021 0.000 2.656 321 S HA 0.637 5.109 4.470 0.004 0.000 0.265 321 S C -0.565 173.965 174.600 -0.117 0.000 1.132 321 S CA -0.286 57.836 58.200 -0.129 0.000 0.819 321 S CB 0.680 63.820 63.200 -0.100 0.000 1.119 321 S HN 0.342 nan 8.310 nan 0.000 0.476 322 S N 0.190 115.807 115.700 -0.139 0.000 2.740 322 S HA 0.561 5.033 4.470 0.004 0.000 0.300 322 S C 1.066 175.647 174.600 -0.031 0.000 1.147 322 S CA -0.415 57.753 58.200 -0.053 0.000 0.871 322 S CB 0.945 64.133 63.200 -0.020 0.000 1.173 322 S HN 1.072 nan 8.310 nan 0.000 0.510 323 M N 1.310 120.917 119.600 0.013 0.000 2.089 323 M HA -0.089 4.393 4.480 0.004 0.000 0.257 323 M C 1.810 178.103 176.300 -0.012 0.000 1.071 323 M CA 2.560 57.869 55.300 0.016 0.000 1.096 323 M CB -1.139 31.477 32.600 0.027 0.000 1.330 323 M HN 0.952 nan 8.290 nan 0.000 0.403 324 G N 0.811 109.600 108.800 -0.018 0.000 2.498 324 G HA2 -0.204 3.758 3.960 0.004 0.000 0.219 324 G HA3 -0.204 3.758 3.960 0.004 0.000 0.219 324 G C 0.655 175.514 174.900 -0.068 0.000 1.119 324 G CA 0.257 45.337 45.100 -0.032 0.000 0.766 324 G HN 0.584 nan 8.290 nan 0.000 0.552 325 N N 1.012 119.641 118.700 -0.117 0.000 2.492 325 N HA 0.128 4.871 4.740 0.004 0.000 0.262 325 N C 1.486 176.875 175.510 -0.201 0.000 1.202 325 N CA 0.503 53.419 53.050 -0.222 0.000 0.926 325 N CB 1.300 39.558 38.487 -0.382 0.000 1.078 325 N HN -0.052 nan 8.380 nan 0.000 0.454 326 G N 2.182 110.865 108.800 -0.195 0.000 2.776 326 G HA2 -0.161 3.801 3.960 0.004 0.000 0.209 326 G HA3 -0.161 3.801 3.960 0.004 0.000 0.209 326 G C 0.737 175.643 174.900 0.010 0.000 1.145 326 G CA 0.683 45.736 45.100 -0.077 0.000 0.791 326 G HN 0.846 nan 8.290 nan 0.000 0.530 327 Y N -3.865 116.457 120.300 0.035 0.000 2.527 327 Y HA 0.336 4.888 4.550 0.004 0.000 0.247 327 Y C 2.133 178.046 175.900 0.023 0.000 1.138 327 Y CA 0.211 58.332 58.100 0.035 0.000 1.228 327 Y CB 0.023 38.509 38.460 0.043 0.000 1.252 327 Y HN -0.041 nan 8.280 nan 0.000 0.531 328 T N 1.859 116.493 114.554 0.132 0.000 2.684 328 T HA -0.231 4.121 4.350 0.004 0.000 0.267 328 T C 1.370 176.143 174.700 0.123 0.000 1.036 328 T CA 2.337 64.516 62.100 0.132 0.000 1.148 328 T CB -0.517 68.363 68.868 0.020 0.000 0.863 328 T HN 0.524 nan 8.240 nan 0.000 0.436 329 F N 2.145 122.085 119.950 -0.018 0.000 2.134 329 F HA -0.094 4.435 4.527 0.004 0.000 0.299 329 F C 2.094 177.850 175.800 -0.074 0.000 1.097 329 F CA 1.411 59.375 58.000 -0.060 0.000 1.264 329 F CB -0.264 38.684 39.000 -0.086 0.000 1.001 329 F HN 0.119 nan 8.300 nan 0.000 0.479 330 E N 0.200 120.337 120.200 -0.104 0.000 2.112 330 E HA -0.120 4.232 4.350 0.004 0.000 0.190 330 E C 1.970 178.448 176.600 -0.202 0.000 0.979 330 E CA 1.102 57.373 56.400 -0.215 0.000 0.814 330 E CB -0.621 29.044 29.700 -0.058 0.000 0.762 330 E HN 0.397 nan 8.360 nan 0.000 0.460 331 L N 1.660 122.826 121.223 -0.095 0.000 2.046 331 L HA -0.177 4.165 4.340 0.004 0.000 0.208 331 L C 2.093 178.817 176.870 -0.243 0.000 1.077 331 L CA 2.053 56.813 54.840 -0.133 0.000 0.747 331 L CB -0.512 41.537 42.059 -0.017 0.000 0.896 331 L HN 0.248 nan 8.230 nan 0.000 0.432 332 E N -1.776 118.247 120.200 -0.295 0.000 2.152 332 E HA -0.137 4.215 4.350 0.004 0.000 0.192 332 E C 1.931 178.180 176.600 -0.586 0.000 0.983 332 E CA 1.189 57.236 56.400 -0.590 0.000 0.818 332 E CB -0.470 28.942 29.700 -0.481 0.000 0.758 332 E HN 0.429 nan 8.360 nan 0.000 0.467 333 S N 1.100 116.586 115.700 -0.357 0.000 2.356 333 S HA -0.148 4.324 4.470 0.004 0.000 0.223 333 S C 1.864 176.402 174.600 -0.102 0.000 1.032 333 S CA 1.252 59.321 58.200 -0.217 0.000 1.005 333 S CB -0.383 62.588 63.200 -0.382 0.000 0.867 333 S HN 0.311 nan 8.310 nan 0.000 0.449 334 L N 1.757 122.882 121.223 -0.164 0.000 2.017 334 L HA -0.014 4.328 4.340 0.004 0.000 0.208 334 L C 1.961 178.829 176.870 -0.003 0.000 1.073 334 L CA 1.649 56.433 54.840 -0.092 0.000 0.745 334 L CB -0.469 41.457 42.059 -0.220 0.000 0.894 334 L HN 0.284 nan 8.230 nan 0.000 0.432 335 I N -1.363 119.117 120.570 -0.149 0.000 2.202 335 I HA -0.278 3.894 4.170 0.004 0.000 0.242 335 I C 2.213 178.361 176.117 0.052 0.000 1.091 335 I CA 1.109 62.346 61.300 -0.105 0.000 1.368 335 I CB -0.368 37.490 38.000 -0.236 0.000 1.058 335 I HN 0.185 nan 8.210 nan 0.000 0.410 336 F N 1.154 121.151 119.950 0.078 0.000 2.102 336 F HA -0.174 4.355 4.527 0.004 0.000 0.298 336 F C 2.690 178.602 175.800 0.187 0.000 1.105 336 F CA 1.035 59.118 58.000 0.138 0.000 1.239 336 F CB -1.506 37.513 39.000 0.032 0.000 0.991 336 F HN 0.008 nan 8.300 nan 0.000 0.474 337 A N 0.217 123.235 122.820 0.331 0.000 1.892 337 A HA -0.245 4.077 4.320 0.004 0.000 0.218 337 A C 2.442 180.100 177.584 0.124 0.000 1.188 337 A CA 2.668 54.849 52.037 0.241 0.000 0.631 337 A CB -1.314 17.891 19.000 0.341 0.000 0.822 337 A HN 0.439 nan 8.150 nan 0.000 0.447 338 S N -0.858 114.982 115.700 0.233 0.000 2.383 338 S HA -0.074 4.398 4.470 0.004 0.000 0.227 338 S C 1.762 176.395 174.600 0.054 0.000 1.026 338 S CA 1.423 59.687 58.200 0.107 0.000 0.981 338 S CB -0.420 62.973 63.200 0.322 0.000 0.818 338 S HN 0.205 nan 8.310 nan 0.000 0.472 339 L N 2.133 123.458 121.223 0.170 0.000 2.027 339 L HA 0.253 4.595 4.340 0.004 0.000 0.206 339 L C 3.082 180.011 176.870 0.097 0.000 1.074 339 L CA 1.490 56.442 54.840 0.186 0.000 0.745 339 L CB -1.908 40.396 42.059 0.408 0.000 0.898 339 L HN 0.463 nan 8.230 nan 0.000 0.433 340 A N -0.502 122.386 122.820 0.114 0.000 1.902 340 A HA -0.220 4.102 4.320 0.004 0.000 0.217 340 A C 2.455 179.998 177.584 -0.067 0.000 1.181 340 A CA 1.542 53.583 52.037 0.005 0.000 0.623 340 A CB -0.439 18.587 19.000 0.043 0.000 0.818 340 A HN 0.354 nan 8.150 nan 0.000 0.443 341 R N -0.403 120.024 120.500 -0.122 0.000 2.115 341 R HA -0.043 4.299 4.340 0.004 0.000 0.230 341 R C 2.443 178.650 176.300 -0.156 0.000 1.111 341 R CA 1.461 57.435 56.100 -0.210 0.000 0.976 341 R CB -0.287 29.750 30.300 -0.439 0.000 0.870 341 R HN 0.485 nan 8.270 nan 0.000 0.445 342 S N 0.116 115.751 115.700 -0.109 0.000 2.387 342 S HA -0.063 4.409 4.470 0.004 0.000 0.226 342 S C 2.043 176.610 174.600 -0.055 0.000 1.026 342 S CA 0.835 58.996 58.200 -0.066 0.000 0.972 342 S CB -0.012 63.172 63.200 -0.027 0.000 0.814 342 S HN 0.054 nan 8.310 nan 0.000 0.477 343 V N 1.274 121.152 119.914 -0.060 0.000 2.332 343 V HA -0.273 3.849 4.120 0.004 0.000 0.248 343 V C 2.455 178.507 176.094 -0.069 0.000 1.055 343 V CA 1.583 63.840 62.300 -0.071 0.000 1.038 343 V CB -0.848 30.915 31.823 -0.101 0.000 0.651 343 V HN 0.595 nan 8.190 nan 0.000 0.450 344 C N -0.537 118.716 119.300 -0.078 0.000 2.413 344 C HA -0.185 4.277 4.460 0.004 0.000 0.277 344 C C 2.760 177.713 174.990 -0.061 0.000 1.228 344 C CA 1.377 60.351 59.018 -0.073 0.000 1.731 344 C CB -0.892 26.797 27.740 -0.086 0.000 2.042 344 C HN 0.643 nan 8.230 nan 0.000 0.468 345 E N 0.798 120.959 120.200 -0.065 0.000 2.070 345 E HA -0.178 4.174 4.350 0.004 0.000 0.197 345 E C 1.959 178.542 176.600 -0.028 0.000 1.004 345 E CA 1.277 57.649 56.400 -0.048 0.000 0.805 345 E CB -0.317 29.354 29.700 -0.048 0.000 0.744 345 E HN 0.471 nan 8.360 nan 0.000 0.451 346 I N 0.169 120.725 120.570 -0.023 0.000 2.423 346 I HA -0.240 3.932 4.170 0.004 0.000 0.254 346 I C 1.717 177.829 176.117 -0.008 0.000 1.151 346 I CA 1.245 62.543 61.300 -0.004 0.000 1.421 346 I CB -0.324 37.674 38.000 -0.003 0.000 1.079 346 I HN 0.249 nan 8.210 nan 0.000 0.431 347 L N -0.567 120.642 121.223 -0.024 0.000 2.640 347 L HA 0.072 4.414 4.340 0.004 0.000 0.230 347 L C 0.477 177.332 176.870 -0.026 0.000 1.123 347 L CA 0.060 54.884 54.840 -0.025 0.000 0.900 347 L CB 0.009 42.046 42.059 -0.037 0.000 1.146 347 L HN 0.159 nan 8.230 nan 0.000 0.484 348 D N 0.805 121.188 120.400 -0.027 0.000 2.907 348 D HA -0.167 4.475 4.640 0.004 0.000 0.226 348 D C -0.301 175.979 176.300 -0.033 0.000 1.141 348 D CA 0.674 54.658 54.000 -0.027 0.000 0.779 348 D CB -1.081 39.706 40.800 -0.022 0.000 1.095 348 D HN 0.148 nan 8.370 nan 0.000 0.430 349 L N -0.037 121.162 121.223 -0.040 0.000 2.375 349 L HA 0.429 4.771 4.340 0.004 0.000 0.268 349 L C 0.826 177.667 176.870 -0.049 0.000 1.058 349 L CA -0.979 53.835 54.840 -0.044 0.000 0.803 349 L CB 0.904 42.934 42.059 -0.049 0.000 1.212 349 L HN -0.071 nan 8.230 nan 0.000 0.451 350 D N -0.010 120.361 120.400 -0.047 0.000 2.343 350 D HA 0.028 4.670 4.640 0.004 0.000 0.255 350 D C 0.986 177.246 176.300 -0.067 0.000 1.187 350 D CA -0.074 53.895 54.000 -0.051 0.000 0.875 350 D CB 1.312 42.088 40.800 -0.040 0.000 1.136 350 D HN 0.523 nan 8.370 nan 0.000 0.469 351 S N 1.581 117.227 115.700 -0.090 0.000 2.515 351 S HA -0.133 4.339 4.470 0.004 0.000 0.231 351 S C 1.607 176.130 174.600 -0.129 0.000 0.987 351 S CA 0.627 58.750 58.200 -0.130 0.000 0.936 351 S CB -0.357 62.732 63.200 -0.186 0.000 0.766 351 S HN 0.385 nan 8.310 nan 0.000 0.528 352 S N 0.354 116.002 115.700 -0.088 0.000 2.607 352 S HA 0.170 4.642 4.470 0.004 0.000 0.224 352 S C 1.203 175.783 174.600 -0.034 0.000 0.969 352 S CA 0.266 58.433 58.200 -0.055 0.000 0.927 352 S CB -0.275 62.908 63.200 -0.028 0.000 0.772 352 S HN 0.409 nan 8.310 nan 0.000 0.533 353 E N 1.006 121.179 120.200 -0.044 0.000 2.511 353 E HA 0.186 4.538 4.350 0.004 0.000 0.196 353 E C -0.436 176.148 176.600 -0.026 0.000 1.066 353 E CA -0.018 56.363 56.400 -0.032 0.000 0.871 353 E CB 0.168 29.845 29.700 -0.039 0.000 0.863 353 E HN 0.406 nan 8.360 nan 0.000 0.520 354 V N 1.272 121.167 119.914 -0.032 0.000 2.394 354 V HA 0.360 4.482 4.120 0.004 0.000 0.282 354 V C 0.111 176.222 176.094 0.029 0.000 1.031 354 V CA -0.311 61.981 62.300 -0.013 0.000 0.881 354 V CB 1.435 33.231 31.823 -0.045 0.000 0.982 354 V HN 0.215 nan 8.190 nan 0.000 0.451 355 T N 2.203 116.789 114.554 0.053 0.000 2.893 355 T HA 0.840 5.192 4.350 0.004 0.000 0.293 355 T C -0.956 173.814 174.700 0.117 0.000 1.027 355 T CA -0.702 61.453 62.100 0.091 0.000 0.988 355 T CB 1.860 70.779 68.868 0.086 0.000 1.043 355 T HN 0.293 nan 8.240 nan 0.000 0.461 356 V N 2.455 122.458 119.914 0.148 0.000 2.876 356 V HA 0.630 4.753 4.120 0.004 0.000 0.312 356 V C -1.654 174.565 176.094 0.207 0.000 1.085 356 V CA -1.024 61.375 62.300 0.164 0.000 0.945 356 V CB 2.175 34.094 31.823 0.160 0.000 1.017 356 V HN 0.994 nan 8.190 nan 0.000 0.428 357 Y N 2.811 123.153 120.300 0.071 0.000 2.475 357 Y HA 0.561 5.114 4.550 0.004 0.000 0.343 357 Y C 0.683 176.645 175.900 0.102 0.000 1.068 357 Y CA 0.548 58.701 58.100 0.088 0.000 1.307 357 Y CB 1.025 39.592 38.460 0.179 0.000 1.097 357 Y HN 1.040 nan 8.280 nan 0.000 0.530 358 G N 4.108 112.651 108.800 -0.430 0.000 2.665 358 G HA2 -0.454 3.508 3.960 0.004 0.000 0.326 358 G HA3 -0.454 3.508 3.960 0.004 0.000 0.326 358 G C 0.910 175.902 174.900 0.153 0.000 1.231 358 G CA 0.962 45.923 45.100 -0.232 0.000 0.992 358 G HN 0.552 nan 8.290 nan 0.000 0.549 359 D N 1.392 121.919 120.400 0.212 0.000 2.264 359 D HA 0.054 4.696 4.640 0.004 0.000 0.208 359 D C 0.530 176.851 176.300 0.035 0.000 0.966 359 D CA 0.872 54.940 54.000 0.113 0.000 0.864 359 D CB -0.159 40.715 40.800 0.124 0.000 0.933 359 D HN 0.292 nan 8.370 nan 0.000 0.499 360 D N 0.038 120.530 120.400 0.153 0.000 2.347 360 D HA 0.271 4.913 4.640 0.004 0.000 0.235 360 D C -0.104 176.267 176.300 0.119 0.000 1.149 360 D CA -0.195 53.890 54.000 0.142 0.000 0.850 360 D CB 0.667 41.597 40.800 0.217 0.000 1.061 360 D HN 0.081 nan 8.370 nan 0.000 0.487 361 I N 3.623 124.228 120.570 0.059 0.000 2.404 361 I HA 0.407 4.579 4.170 0.004 0.000 0.293 361 I C 0.036 176.185 176.117 0.053 0.000 0.992 361 I CA -0.676 60.661 61.300 0.062 0.000 1.149 361 I CB 1.747 39.769 38.000 0.037 0.000 1.315 361 I HN 0.089 nan 8.210 nan 0.000 0.446 362 I N 7.461 128.063 120.570 0.054 0.000 2.466 362 I HA 0.556 4.728 4.170 0.004 0.000 0.289 362 I C -0.588 175.536 176.117 0.012 0.000 1.026 362 I CA -0.627 60.691 61.300 0.030 0.000 1.078 362 I CB 1.767 39.786 38.000 0.032 0.000 1.249 362 I HN 0.481 nan 8.210 nan 0.000 0.429 363 L N 4.701 125.918 121.223 -0.009 0.000 2.630 363 L HA 0.778 5.120 4.340 0.004 0.000 0.258 363 L C -3.060 173.788 176.870 -0.037 0.000 1.072 363 L CA -2.198 52.626 54.840 -0.027 0.000 0.885 363 L CB 1.870 43.904 42.059 -0.042 0.000 1.502 363 L HN 0.114 nan 8.230 nan 0.000 0.406 364 P HA 0.218 nan 4.420 nan 0.000 0.268 364 P C 0.159 177.430 177.300 -0.048 0.000 1.205 364 P CA -0.011 63.062 63.100 -0.045 0.000 0.771 364 P CB 1.155 32.827 31.700 -0.047 0.000 0.858 365 S N 0.981 116.655 115.700 -0.044 0.000 2.400 365 S HA -0.174 4.298 4.470 0.004 0.000 0.232 365 S C 1.604 176.175 174.600 -0.048 0.000 1.025 365 S CA 1.307 59.481 58.200 -0.042 0.000 0.993 365 S CB -1.010 62.167 63.200 -0.038 0.000 0.808 365 S HN 0.575 nan 8.310 nan 0.000 0.478 366 C N 1.647 120.919 119.300 -0.047 0.000 2.419 366 C HA 0.128 4.591 4.460 0.004 0.000 0.283 366 C C 2.844 177.800 174.990 -0.057 0.000 1.373 366 C CA 0.294 59.283 59.018 -0.048 0.000 1.781 366 C CB -1.624 26.091 27.740 -0.042 0.000 1.886 366 C HN 0.688 nan 8.230 nan 0.000 0.520 367 A N -0.033 122.747 122.820 -0.067 0.000 2.123 367 A HA 0.090 4.412 4.320 0.004 0.000 0.214 367 A C 2.162 179.682 177.584 -0.108 0.000 1.152 367 A CA 0.931 52.918 52.037 -0.085 0.000 0.728 367 A CB -0.380 18.567 19.000 -0.090 0.000 0.814 367 A HN 0.336 nan 8.150 nan 0.000 0.464 368 V N 0.955 120.809 119.914 -0.099 0.000 2.252 368 V HA -0.196 3.927 4.120 0.004 0.000 0.249 368 V C -0.092 175.928 176.094 -0.123 0.000 1.056 368 V CA 2.728 64.958 62.300 -0.117 0.000 1.022 368 V CB -1.437 30.334 31.823 -0.087 0.000 0.641 368 V HN 0.378 nan 8.190 nan 0.000 0.445 369 P HA -0.153 nan 4.420 nan 0.000 0.215 369 P C 1.668 178.912 177.300 -0.093 0.000 1.153 369 P CA 2.070 65.122 63.100 -0.080 0.000 0.853 369 P CB -0.167 31.497 31.700 -0.060 0.000 0.788 370 A N -0.772 121.987 122.820 -0.101 0.000 1.898 370 A HA -0.164 4.159 4.320 0.004 0.000 0.216 370 A C 2.151 179.638 177.584 -0.163 0.000 1.181 370 A CA 1.343 53.314 52.037 -0.111 0.000 0.620 370 A CB -1.671 17.272 19.000 -0.096 0.000 0.819 370 A HN 0.142 nan 8.150 nan 0.000 0.442 371 L N -0.131 120.953 121.223 -0.231 0.000 2.079 371 L HA -0.149 4.193 4.340 0.004 0.000 0.210 371 L C 2.491 179.088 176.870 -0.455 0.000 1.081 371 L CA 1.835 56.413 54.840 -0.437 0.000 0.752 371 L CB -0.438 41.309 42.059 -0.520 0.000 0.896 371 L HN 0.329 nan 8.230 nan 0.000 0.433 372 R N -0.804 119.553 120.500 -0.240 0.000 2.096 372 R HA -0.128 4.214 4.340 0.004 0.000 0.235 372 R C 2.100 178.394 176.300 -0.011 0.000 1.127 372 R CA 1.286 57.331 56.100 -0.092 0.000 0.968 372 R CB -0.266 30.004 30.300 -0.050 0.000 0.861 372 R HN 0.421 nan 8.270 nan 0.000 0.440 373 E N 0.318 120.490 120.200 -0.047 0.000 2.047 373 E HA -0.123 4.230 4.350 0.004 0.000 0.191 373 E C 2.202 178.821 176.600 0.032 0.000 0.987 373 E CA 0.952 57.344 56.400 -0.013 0.000 0.799 373 E CB -0.347 29.320 29.700 -0.054 0.000 0.752 373 E HN 0.089 nan 8.360 nan 0.000 0.449 374 V N 1.497 121.407 119.914 -0.007 0.000 2.287 374 V HA -0.249 3.873 4.120 0.004 0.000 0.248 374 V C 2.270 178.540 176.094 0.292 0.000 1.053 374 V CA 1.629 63.973 62.300 0.074 0.000 1.027 374 V CB -0.598 31.233 31.823 0.014 0.000 0.646 374 V HN 0.104 nan 8.190 nan 0.000 0.447 375 F N 0.489 120.490 119.950 0.085 0.000 2.134 375 F HA -0.122 4.407 4.527 0.004 0.000 0.299 375 F C 2.314 178.142 175.800 0.046 0.000 1.097 375 F CA 1.467 59.548 58.000 0.136 0.000 1.264 375 F CB -1.019 38.111 39.000 0.217 0.000 1.001 375 F HN 0.114 nan 8.300 nan 0.000 0.479 376 K N -0.508 120.034 120.400 0.236 0.000 2.063 376 K HA -0.234 4.088 4.320 0.004 0.000 0.208 376 K C 2.025 178.651 176.600 0.044 0.000 1.048 376 K CA 1.308 57.662 56.287 0.112 0.000 0.928 376 K CB -1.060 31.492 32.500 0.085 0.000 0.713 376 K HN 0.320 nan 8.250 nan 0.000 0.442 377 Y N 0.069 120.344 120.300 -0.041 0.000 2.293 377 Y HA -0.116 4.436 4.550 0.004 0.000 0.291 377 Y C 1.343 177.147 175.900 -0.160 0.000 1.137 377 Y CA 1.128 59.171 58.100 -0.094 0.000 1.202 377 Y CB 0.278 38.680 38.460 -0.096 0.000 0.990 377 Y HN -0.060 nan 8.280 nan 0.000 0.537 378 V N -2.365 117.459 119.914 -0.150 0.000 3.514 378 V HA 0.507 4.629 4.120 0.004 0.000 0.301 378 V C 1.250 176.968 176.094 -0.627 0.000 1.346 378 V CA 0.603 62.660 62.300 -0.404 0.000 1.156 378 V CB -0.411 31.181 31.823 -0.385 0.000 1.029 378 V HN 0.546 nan 8.190 nan 0.000 0.428 379 G N -0.133 108.411 108.800 -0.427 0.000 2.141 379 G HA2 -0.228 3.734 3.960 0.004 0.000 0.242 379 G HA3 -0.228 3.734 3.960 0.004 0.000 0.242 379 G C -0.408 174.416 174.900 -0.127 0.000 0.982 379 G CA 0.117 45.047 45.100 -0.282 0.000 0.662 379 G HN 0.468 nan 8.290 nan 0.000 0.527 380 F N 0.521 120.453 119.950 -0.029 0.000 2.377 380 F HA 0.746 5.275 4.527 0.004 0.000 0.328 380 F C 0.834 176.635 175.800 0.002 0.000 1.094 380 F CA -1.174 56.793 58.000 -0.056 0.000 1.093 380 F CB 1.796 40.655 39.000 -0.234 0.000 1.214 380 F HN -0.078 nan 8.300 nan 0.000 0.518 381 T N 1.105 115.784 114.554 0.208 0.000 2.809 381 T HA 0.266 4.619 4.350 0.004 0.000 0.296 381 T C -0.398 174.364 174.700 0.104 0.000 1.015 381 T CA -0.453 61.724 62.100 0.128 0.000 0.954 381 T CB 0.319 69.237 68.868 0.084 0.000 0.950 381 T HN 0.764 nan 8.240 nan 0.000 0.450 382 T N 4.189 118.817 114.554 0.123 0.000 2.780 382 T HA 0.286 4.638 4.350 0.004 0.000 0.294 382 T C 0.296 175.017 174.700 0.035 0.000 0.949 382 T CA -0.663 61.494 62.100 0.095 0.000 1.074 382 T CB 0.222 69.173 68.868 0.138 0.000 0.910 382 T HN 0.533 nan 8.240 nan 0.000 0.501 383 N N 4.064 122.771 118.700 0.011 0.000 2.448 383 N HA 0.150 4.893 4.740 0.004 0.000 0.250 383 N C 1.299 176.775 175.510 -0.056 0.000 1.136 383 N CA -0.028 53.016 53.050 -0.009 0.000 0.953 383 N CB 0.352 38.841 38.487 0.003 0.000 1.251 383 N HN 0.689 nan 8.380 nan 0.000 0.502 384 T N 2.762 117.279 114.554 -0.062 0.000 2.778 384 T HA -0.167 4.185 4.350 0.004 0.000 0.269 384 T C 1.376 175.957 174.700 -0.200 0.000 1.050 384 T CA 1.397 63.428 62.100 -0.114 0.000 1.137 384 T CB 0.047 68.868 68.868 -0.077 0.000 0.860 384 T HN 0.547 nan 8.240 nan 0.000 0.468 385 K N 0.388 120.701 120.400 -0.145 0.000 2.217 385 K HA 0.034 4.357 4.320 0.004 0.000 0.202 385 K C 1.671 178.089 176.600 -0.303 0.000 1.051 385 K CA 0.659 56.846 56.287 -0.166 0.000 0.952 385 K CB 0.145 32.634 32.500 -0.019 0.000 0.736 385 K HN 0.039 nan 8.250 nan 0.000 0.453 386 K N 0.582 120.844 120.400 -0.231 0.000 2.399 386 K HA 0.132 4.454 4.320 0.004 0.000 0.204 386 K C -0.207 176.216 176.600 -0.295 0.000 1.023 386 K CA 0.215 56.414 56.287 -0.146 0.000 1.127 386 K CB 1.230 33.798 32.500 0.113 0.000 0.856 386 K HN -0.083 nan 8.250 nan 0.000 0.514 387 T N 1.255 115.505 114.554 -0.506 0.000 2.767 387 T HA 0.491 4.844 4.350 0.004 0.000 0.284 387 T C -0.726 173.620 174.700 -0.589 0.000 0.973 387 T CA -0.240 61.651 62.100 -0.348 0.000 0.996 387 T CB 0.369 69.125 68.868 -0.186 0.000 0.927 387 T HN -0.129 nan 8.240 nan 0.000 0.456 388 F N 2.205 122.151 119.950 -0.007 0.000 2.496 388 F HA 0.370 4.899 4.527 0.004 0.000 0.341 388 F C 1.090 176.860 175.800 -0.050 0.000 1.134 388 F CA -0.906 57.074 58.000 -0.033 0.000 0.968 388 F CB 1.804 40.812 39.000 0.014 0.000 1.205 388 F HN 0.605 nan 8.300 nan 0.000 0.436 389 S N 0.249 115.996 115.700 0.078 0.000 2.733 389 S HA 0.319 4.791 4.470 0.004 0.000 0.247 389 S C -0.169 174.435 174.600 0.007 0.000 1.043 389 S CA -0.326 57.887 58.200 0.021 0.000 1.066 389 S CB -0.227 62.961 63.200 -0.020 0.000 1.045 389 S HN 0.692 nan 8.310 nan 0.000 0.586 390 E N -0.176 120.040 120.200 0.027 0.000 2.456 390 E HA 0.661 5.013 4.350 0.004 0.000 0.278 390 E C 0.037 176.643 176.600 0.009 0.000 1.034 390 E CA -1.022 55.377 56.400 -0.001 0.000 0.846 390 E CB 0.631 30.324 29.700 -0.011 0.000 1.460 390 E HN 0.650 nan 8.360 nan 0.000 0.463 391 G N 0.557 109.339 108.800 -0.029 0.000 2.795 391 G HA2 -0.145 3.817 3.960 0.004 0.000 0.664 391 G HA3 -0.145 3.817 3.960 0.004 0.000 0.664 391 G C -2.144 172.672 174.900 -0.140 0.000 1.381 391 G CA -0.293 44.776 45.100 -0.053 0.000 0.853 391 G HN 0.515 nan 8.290 nan 0.000 0.545 392 P HA 0.190 nan 4.420 nan 0.000 0.245 392 P C 0.324 177.340 177.300 -0.473 0.000 1.206 392 P CA 0.671 63.472 63.100 -0.497 0.000 0.781 392 P CB 0.173 31.284 31.700 -0.981 0.000 0.994 393 F N 1.556 121.220 119.950 -0.476 0.000 2.443 393 F HA 0.593 5.123 4.527 0.004 0.000 0.335 393 F C 0.140 175.643 175.800 -0.495 0.000 1.104 393 F CA -0.838 56.880 58.000 -0.470 0.000 1.013 393 F CB 1.079 39.797 39.000 -0.471 0.000 1.136 393 F HN -0.370 nan 8.300 nan 0.000 0.470 394 R N 3.724 123.556 120.500 -1.113 0.000 2.836 394 R HA 0.451 4.793 4.340 0.004 0.000 0.269 394 R C -1.488 174.222 176.300 -0.982 0.000 1.010 394 R CA -0.922 54.709 56.100 -0.781 0.000 0.930 394 R CB 1.942 32.057 30.300 -0.309 0.000 1.218 394 R HN 0.738 nan 8.270 nan 0.000 0.473 395 E N 0.888 120.830 120.200 -0.429 0.000 2.321 395 E HA 0.380 4.732 4.350 0.004 0.000 0.281 395 E C -1.783 174.761 176.600 -0.093 0.000 0.910 395 E CA -0.194 56.017 56.400 -0.315 0.000 0.770 395 E CB 2.123 31.679 29.700 -0.240 0.000 1.225 395 E HN 0.412 nan 8.360 nan 0.000 0.417 396 S N 2.481 118.130 115.700 -0.084 0.000 2.543 396 S HA 0.373 4.846 4.470 0.004 0.000 0.271 396 S C -0.581 174.017 174.600 -0.002 0.000 1.148 396 S CA 0.100 58.300 58.200 0.001 0.000 0.914 396 S CB 0.634 63.857 63.200 0.039 0.000 1.096 396 S HN 0.813 nan 8.310 nan 0.000 0.471 397 C N 3.458 122.773 119.300 0.026 0.000 4.235 397 C HA -0.063 4.400 4.460 0.004 0.000 0.301 397 C C 1.722 176.724 174.990 0.019 0.000 1.409 397 C CA 1.214 60.229 59.018 -0.005 0.000 2.024 397 C CB -2.383 25.276 27.740 -0.134 0.000 1.286 397 C HN 2.103 nan 8.230 nan 0.000 0.746 398 G N -0.969 107.870 108.800 0.065 0.000 2.225 398 G HA2 -0.234 3.728 3.960 0.004 0.000 0.254 398 G HA3 -0.234 3.728 3.960 0.004 0.000 0.254 398 G C -0.019 174.998 174.900 0.194 0.000 0.988 398 G CA 0.763 45.959 45.100 0.160 0.000 0.625 398 G HN 0.532 nan 8.290 nan 0.000 0.527 399 K N 0.826 121.251 120.400 0.041 0.000 2.164 399 K HA 0.732 5.054 4.320 0.004 0.000 0.258 399 K C -0.742 175.702 176.600 -0.259 0.000 0.951 399 K CA -0.620 55.662 56.287 -0.008 0.000 0.844 399 K CB 1.326 33.837 32.500 0.018 0.000 1.099 399 K HN 0.457 nan 8.250 nan 0.000 0.435 400 H N 0.880 119.706 119.070 -0.406 0.000 2.667 400 H HA 0.456 5.014 4.556 0.004 0.000 0.353 400 H C -1.103 173.858 175.328 -0.612 0.000 1.072 400 H CA -0.418 55.438 56.048 -0.320 0.000 1.214 400 H CB 0.944 30.815 29.762 0.183 0.000 1.600 400 H HN 0.396 nan 8.280 nan 0.000 0.527 401 Y N 1.068 121.249 120.300 -0.199 0.000 2.477 401 Y HA 0.352 4.904 4.550 0.004 0.000 0.347 401 Y C -1.121 174.683 175.900 -0.160 0.000 0.981 401 Y CA -1.054 56.990 58.100 -0.093 0.000 1.033 401 Y CB 2.001 40.414 38.460 -0.079 0.000 1.245 401 Y HN 0.636 nan 8.280 nan 0.000 0.455 402 Y N 1.176 121.504 120.300 0.047 0.000 2.349 402 Y HA 0.397 4.949 4.550 0.004 0.000 0.324 402 Y C 0.164 176.041 175.900 -0.039 0.000 1.005 402 Y CA -0.877 57.183 58.100 -0.067 0.000 1.240 402 Y CB 1.254 39.643 38.460 -0.118 0.000 1.117 402 Y HN 0.744 nan 8.280 nan 0.000 0.463 403 S N 4.181 119.706 115.700 -0.292 0.000 3.559 403 S HA -0.221 4.252 4.470 0.004 0.000 0.369 403 S C 1.214 175.762 174.600 -0.087 0.000 0.987 403 S CA 1.483 59.559 58.200 -0.207 0.000 1.187 403 S CB -1.658 61.439 63.200 -0.173 0.000 0.914 403 S HN 1.905 nan 8.310 nan 0.000 0.480 404 G N -1.969 106.752 108.800 -0.131 0.000 2.225 404 G HA2 -0.300 3.662 3.960 0.004 0.000 0.254 404 G HA3 -0.300 3.662 3.960 0.004 0.000 0.254 404 G C 0.149 175.197 174.900 0.248 0.000 0.988 404 G CA -0.023 45.006 45.100 -0.118 0.000 0.625 404 G HN 1.202 nan 8.290 nan 0.000 0.527 405 V N 2.077 122.142 119.914 0.252 0.000 2.461 405 V HA 0.389 4.511 4.120 0.004 0.000 0.275 405 V C 0.437 176.733 176.094 0.338 0.000 1.047 405 V CA -0.657 61.806 62.300 0.272 0.000 0.955 405 V CB 1.690 33.639 31.823 0.210 0.000 0.988 405 V HN 0.356 nan 8.190 nan 0.000 0.471 406 D N 4.342 124.912 120.400 0.283 0.000 2.389 406 D HA 0.044 4.686 4.640 0.004 0.000 0.263 406 D C 0.553 176.885 176.300 0.054 0.000 1.255 406 D CA 0.186 54.248 54.000 0.103 0.000 0.914 406 D CB 1.346 42.190 40.800 0.072 0.000 1.116 406 D HN 0.468 nan 8.370 nan 0.000 0.502 407 V N 1.220 121.186 119.914 0.087 0.000 2.988 407 V HA 0.241 4.364 4.120 0.004 0.000 0.356 407 V C 0.500 176.772 176.094 0.296 0.000 1.380 407 V CA -0.622 61.813 62.300 0.225 0.000 1.184 407 V CB -0.330 31.726 31.823 0.388 0.000 1.204 407 V HN 0.349 nan 8.190 nan 0.000 0.530 408 T N 5.610 120.266 114.554 0.170 0.000 2.866 408 T HA 0.176 4.529 4.350 0.004 0.000 0.293 408 T C -1.724 173.104 174.700 0.214 0.000 1.005 408 T CA 0.467 62.660 62.100 0.155 0.000 1.162 408 T CB 0.590 69.562 68.868 0.174 0.000 0.968 408 T HN 0.576 nan 8.240 nan 0.000 0.530 409 P HA 0.500 nan 4.420 nan 0.000 0.293 409 P C -0.688 176.485 177.300 -0.212 0.000 1.304 409 P CA -0.732 62.239 63.100 -0.216 0.000 0.767 409 P CB 0.692 31.989 31.700 -0.673 0.000 1.247 410 F N -2.338 117.274 119.950 -0.563 0.000 2.631 410 F HA 0.754 5.283 4.527 0.004 0.000 0.328 410 F C -1.214 174.195 175.800 -0.651 0.000 1.067 410 F CA -1.344 56.395 58.000 -0.435 0.000 0.969 410 F CB 0.998 39.888 39.000 -0.183 0.000 1.332 410 F HN 0.128 nan 8.300 nan 0.000 0.490 411 Y N 1.250 121.578 120.300 0.047 0.000 2.442 411 Y HA 0.601 5.153 4.550 0.004 0.000 0.344 411 Y C -0.532 175.382 175.900 0.023 0.000 0.976 411 Y CA -1.190 56.867 58.100 -0.072 0.000 1.040 411 Y CB 2.053 40.483 38.460 -0.051 0.000 1.228 411 Y HN 0.466 nan 8.280 nan 0.000 0.451 412 I N 3.903 124.537 120.570 0.108 0.000 2.307 412 I HA 0.377 4.549 4.170 0.004 0.000 0.289 412 I C 0.746 176.918 176.117 0.090 0.000 1.021 412 I CA -0.250 61.116 61.300 0.110 0.000 1.224 412 I CB 1.233 39.268 38.000 0.058 0.000 1.376 412 I HN 0.719 nan 8.210 nan 0.000 0.470 413 R N 3.583 124.033 120.500 -0.084 0.000 2.189 413 R HA 0.187 4.529 4.340 0.004 0.000 0.203 413 R C 0.106 175.985 176.300 -0.701 0.000 1.012 413 R CA 0.488 56.327 56.100 -0.436 0.000 1.015 413 R CB 0.288 30.166 30.300 -0.703 0.000 0.938 413 R HN 0.587 nan 8.270 nan 0.000 0.472 414 H N -0.323 118.707 119.070 -0.067 0.000 2.865 414 H HA 0.219 4.777 4.556 0.004 0.000 0.372 414 H C -0.786 174.493 175.328 -0.082 0.000 1.173 414 H CA -1.160 54.765 56.048 -0.205 0.000 1.147 414 H CB 1.501 31.201 29.762 -0.102 0.000 1.805 414 H HN -0.124 nan 8.280 nan 0.000 0.553 415 R N 1.604 122.071 120.500 -0.055 0.000 2.504 415 R HA 0.053 4.395 4.340 0.004 0.000 0.291 415 R C -0.383 175.990 176.300 0.122 0.000 0.974 415 R CA 0.000 56.160 56.100 0.100 0.000 1.077 415 R CB -0.302 30.008 30.300 0.018 0.000 0.926 415 R HN 0.459 nan 8.270 nan 0.000 0.407 416 I N 6.420 127.070 120.570 0.134 0.000 2.406 416 I HA -0.028 4.144 4.170 0.004 0.000 0.293 416 I C 0.569 176.719 176.117 0.056 0.000 1.101 416 I CA -0.208 61.143 61.300 0.086 0.000 1.334 416 I CB 1.022 39.060 38.000 0.064 0.000 1.421 416 I HN 0.615 nan 8.210 nan 0.000 0.513 417 V N 3.808 123.749 119.914 0.045 0.000 2.948 417 V HA 0.033 4.155 4.120 0.004 0.000 0.234 417 V C 0.923 177.024 176.094 0.012 0.000 1.205 417 V CA 0.542 62.863 62.300 0.034 0.000 1.234 417 V CB 0.645 32.494 31.823 0.043 0.000 1.020 417 V HN 0.778 nan 8.190 nan 0.000 0.491 418 S N 0.230 115.927 115.700 -0.005 0.000 2.722 418 S HA 0.420 4.892 4.470 0.004 0.000 0.292 418 S C -1.899 172.608 174.600 -0.155 0.000 1.135 418 S CA -1.211 56.931 58.200 -0.098 0.000 1.003 418 S CB 1.472 64.576 63.200 -0.160 0.000 1.067 418 S HN 0.054 nan 8.310 nan 0.000 0.546 419 P HA -0.015 nan 4.420 nan 0.000 0.216 419 P C 1.524 178.701 177.300 -0.204 0.000 1.150 419 P CA 1.846 64.829 63.100 -0.196 0.000 0.837 419 P CB -0.256 31.311 31.700 -0.221 0.000 0.786 420 A N 0.031 122.650 122.820 -0.335 0.000 1.933 420 A HA -0.226 4.096 4.320 0.004 0.000 0.218 420 A C 1.969 179.510 177.584 -0.072 0.000 1.175 420 A CA 2.008 53.915 52.037 -0.216 0.000 0.628 420 A CB -1.359 17.479 19.000 -0.270 0.000 0.814 420 A HN 0.108 nan 8.150 nan 0.000 0.444 421 D N -0.359 120.012 120.400 -0.048 0.000 2.097 421 D HA -0.146 4.496 4.640 0.004 0.000 0.195 421 D C 1.845 178.158 176.300 0.022 0.000 0.989 421 D CA 1.461 55.476 54.000 0.026 0.000 0.827 421 D CB -0.447 40.382 40.800 0.047 0.000 0.966 421 D HN 0.387 nan 8.370 nan 0.000 0.456 422 L N 0.862 122.080 121.223 -0.009 0.000 2.056 422 L HA -0.028 4.314 4.340 0.004 0.000 0.207 422 L C 2.147 179.018 176.870 0.001 0.000 1.078 422 L CA 1.146 55.986 54.840 -0.000 0.000 0.749 422 L CB -0.469 41.584 42.059 -0.011 0.000 0.901 422 L HN -0.049 nan 8.230 nan 0.000 0.433 423 I N -0.955 119.606 120.570 -0.016 0.000 2.264 423 I HA -0.287 3.885 4.170 0.004 0.000 0.248 423 I C 2.334 178.469 176.117 0.029 0.000 1.111 423 I CA 1.132 62.431 61.300 -0.000 0.000 1.382 423 I CB -0.388 37.597 38.000 -0.024 0.000 1.060 423 I HN 0.352 nan 8.210 nan 0.000 0.418 424 L N 0.405 121.647 121.223 0.030 0.000 2.017 424 L HA -0.149 4.193 4.340 0.004 0.000 0.208 424 L C 2.433 179.330 176.870 0.046 0.000 1.073 424 L CA 1.812 56.680 54.840 0.047 0.000 0.745 424 L CB -0.547 41.552 42.059 0.068 0.000 0.894 424 L HN -0.024 nan 8.230 nan 0.000 0.432 425 V N -0.110 119.837 119.914 0.056 0.000 2.255 425 V HA -0.333 3.789 4.120 0.004 0.000 0.247 425 V C 2.629 178.744 176.094 0.035 0.000 1.051 425 V CA 2.224 64.559 62.300 0.058 0.000 1.018 425 V CB -0.688 31.179 31.823 0.074 0.000 0.641 425 V HN 0.465 nan 8.190 nan 0.000 0.445 426 L N 0.126 121.401 121.223 0.085 0.000 2.083 426 L HA -0.184 4.159 4.340 0.004 0.000 0.209 426 L C 2.469 179.538 176.870 0.331 0.000 1.083 426 L CA 1.524 56.495 54.840 0.218 0.000 0.752 426 L CB -0.763 41.357 42.059 0.101 0.000 0.899 426 L HN 0.381 nan 8.230 nan 0.000 0.433 427 N N 0.069 118.873 118.700 0.173 0.000 2.120 427 N HA -0.153 4.589 4.740 0.004 0.000 0.188 427 N C 1.619 177.143 175.510 0.024 0.000 1.024 427 N CA 1.055 54.169 53.050 0.107 0.000 0.852 427 N CB -0.453 38.051 38.487 0.029 0.000 1.003 427 N HN 0.291 nan 8.380 nan 0.000 0.424 428 N N 1.093 119.726 118.700 -0.113 0.000 2.166 428 N HA -0.093 4.650 4.740 0.004 0.000 0.186 428 N C 1.792 176.892 175.510 -0.683 0.000 1.019 428 N CA 0.289 53.118 53.050 -0.367 0.000 0.856 428 N CB -0.444 37.776 38.487 -0.446 0.000 0.993 428 N HN 0.256 nan 8.380 nan 0.000 0.426 429 L N -0.144 120.716 121.223 -0.604 0.000 2.017 429 L HA -0.226 4.116 4.340 0.004 0.000 0.208 429 L C 2.214 179.123 176.870 0.065 0.000 1.073 429 L CA 1.483 56.170 54.840 -0.255 0.000 0.745 429 L CB -0.458 41.733 42.059 0.219 0.000 0.894 429 L HN 0.183 nan 8.230 nan 0.000 0.432 430 Y N 0.888 121.149 120.300 -0.065 0.000 2.081 430 Y HA -0.334 4.218 4.550 0.004 0.000 0.280 430 Y C 2.793 178.426 175.900 -0.444 0.000 1.163 430 Y CA 1.972 59.775 58.100 -0.494 0.000 1.135 430 Y CB -0.126 38.171 38.460 -0.271 0.000 0.970 430 Y HN 0.086 nan 8.280 nan 0.000 0.498 431 R N -1.350 119.195 120.500 0.076 0.000 2.092 431 R HA -0.217 4.125 4.340 0.004 0.000 0.231 431 R C 2.068 178.351 176.300 -0.029 0.000 1.119 431 R CA 1.627 57.751 56.100 0.041 0.000 0.970 431 R CB -0.834 29.512 30.300 0.077 0.000 0.864 431 R HN 0.578 nan 8.270 nan 0.000 0.440 432 W N 0.720 121.914 121.300 -0.177 0.000 2.436 432 W HA -0.020 4.642 4.660 0.004 0.000 0.284 432 W C 1.702 178.159 176.519 -0.103 0.000 1.225 432 W CA 1.433 58.732 57.345 -0.076 0.000 1.271 432 W CB 0.156 29.648 29.460 0.055 0.000 1.114 432 W HN 0.015 nan 8.180 nan 0.000 0.559 433 A N -0.484 122.309 122.820 -0.044 0.000 2.390 433 A HA 0.254 4.576 4.320 0.004 0.000 0.232 433 A C 0.680 178.008 177.584 -0.426 0.000 1.233 433 A CA 0.723 52.693 52.037 -0.111 0.000 0.907 433 A CB -0.829 18.390 19.000 0.366 0.000 0.967 433 A HN 0.104 nan 8.150 nan 0.000 0.512 434 T N -1.758 112.387 114.554 -0.682 0.000 2.945 434 T HA 0.740 5.093 4.350 0.004 0.000 0.286 434 T C -0.461 173.971 174.700 -0.446 0.000 1.025 434 T CA -0.580 61.067 62.100 -0.754 0.000 1.039 434 T CB 1.540 69.660 68.868 -1.246 0.000 1.068 434 T HN 0.107 nan 8.240 nan 0.000 0.497 435 I N 1.735 122.099 120.570 -0.344 0.000 2.439 435 I HA 0.297 4.469 4.170 0.004 0.000 0.283 435 I C -0.359 175.647 176.117 -0.186 0.000 1.023 435 I CA -0.400 60.768 61.300 -0.220 0.000 1.100 435 I CB 1.423 39.329 38.000 -0.156 0.000 1.238 435 I HN 0.787 nan 8.210 nan 0.000 0.445 436 D N 5.368 125.679 120.400 -0.149 0.000 2.723 436 D HA -0.179 4.463 4.640 0.004 0.000 0.236 436 D C 1.147 177.382 176.300 -0.109 0.000 1.138 436 D CA 1.652 55.595 54.000 -0.096 0.000 0.676 436 D CB -0.697 40.063 40.800 -0.067 0.000 1.069 436 D HN 1.107 nan 8.370 nan 0.000 0.430 437 G N -2.010 106.685 108.800 -0.176 0.000 2.189 437 G HA2 -0.303 3.659 3.960 0.004 0.000 0.267 437 G HA3 -0.303 3.659 3.960 0.004 0.000 0.267 437 G C 0.425 175.168 174.900 -0.263 0.000 0.975 437 G CA 0.439 45.431 45.100 -0.182 0.000 0.644 437 G HN 0.874 nan 8.290 nan 0.000 0.537 438 V N 0.279 120.032 119.914 -0.268 0.000 2.394 438 V HA 0.585 4.707 4.120 0.004 0.000 0.282 438 V C 0.392 176.310 176.094 -0.293 0.000 1.031 438 V CA -0.904 61.279 62.300 -0.195 0.000 0.881 438 V CB 1.087 32.852 31.823 -0.096 0.000 0.982 438 V HN 0.288 nan 8.190 nan 0.000 0.451 439 W N 2.521 123.625 121.300 -0.327 0.000 2.238 439 W HA 0.233 4.895 4.660 0.004 0.000 0.321 439 W C 0.722 177.123 176.519 -0.197 0.000 1.293 439 W CA -0.041 57.082 57.345 -0.370 0.000 1.204 439 W CB 0.413 29.489 29.460 -0.640 0.000 1.167 439 W HN 0.513 nan 8.180 nan 0.000 0.553 440 D N 4.803 125.283 120.400 0.132 0.000 2.382 440 D HA 0.017 4.659 4.640 0.004 0.000 0.259 440 D C -1.369 175.053 176.300 0.204 0.000 1.224 440 D CA -1.421 52.660 54.000 0.134 0.000 0.894 440 D CB 1.466 42.350 40.800 0.141 0.000 1.127 440 D HN 0.052 nan 8.370 nan 0.000 0.487 441 P HA -0.123 nan 4.420 nan 0.000 0.217 441 P C 1.203 178.535 177.300 0.052 0.000 1.148 441 P CA 1.132 64.293 63.100 0.102 0.000 0.828 441 P CB 0.249 31.973 31.700 0.039 0.000 0.783 442 R N -0.415 120.044 120.500 -0.067 0.000 2.091 442 R HA -0.062 4.280 4.340 0.004 0.000 0.238 442 R C 2.267 178.566 176.300 -0.001 0.000 1.136 442 R CA 1.677 57.640 56.100 -0.228 0.000 0.959 442 R CB -0.981 28.833 30.300 -0.810 0.000 0.856 442 R HN 0.173 nan 8.270 nan 0.000 0.437 443 A N -0.272 122.704 122.820 0.261 0.000 1.975 443 A HA -0.103 4.219 4.320 0.004 0.000 0.215 443 A C 1.798 179.582 177.584 0.334 0.000 1.170 443 A CA 0.803 53.153 52.037 0.522 0.000 0.656 443 A CB -0.588 18.909 19.000 0.828 0.000 0.821 443 A HN 0.402 nan 8.150 nan 0.000 0.449 444 H N 0.821 119.899 119.070 0.013 0.000 2.352 444 H HA -0.172 4.387 4.556 0.004 0.000 0.299 444 H C 2.557 177.729 175.328 -0.259 0.000 1.097 444 H CA 1.630 57.362 56.048 -0.526 0.000 1.311 444 H CB 0.256 29.722 29.762 -0.493 0.000 1.377 444 H HN 0.657 nan 8.280 nan 0.000 0.504 445 S N -0.228 115.449 115.700 -0.038 0.000 2.383 445 S HA -0.125 4.347 4.470 0.004 0.000 0.229 445 S C 2.219 176.816 174.600 -0.004 0.000 1.030 445 S CA 1.333 59.483 58.200 -0.082 0.000 1.002 445 S CB -0.756 62.417 63.200 -0.045 0.000 0.829 445 S HN 0.197 nan 8.310 nan 0.000 0.467 446 V N 0.684 120.666 119.914 0.113 0.000 2.379 446 V HA -0.092 4.030 4.120 0.004 0.000 0.245 446 V C 2.211 178.471 176.094 0.276 0.000 1.044 446 V CA 1.776 64.212 62.300 0.226 0.000 1.036 446 V CB -1.062 30.928 31.823 0.278 0.000 0.664 446 V HN 0.596 nan 8.190 nan 0.000 0.453 447 Y N 0.784 121.128 120.300 0.073 0.000 2.097 447 Y HA -0.256 4.297 4.550 0.004 0.000 0.282 447 Y C 2.226 178.126 175.900 -0.000 0.000 1.152 447 Y CA 1.870 60.004 58.100 0.056 0.000 1.136 447 Y CB -0.242 38.130 38.460 -0.146 0.000 0.975 447 Y HN 0.139 nan 8.280 nan 0.000 0.498 448 L N 0.431 121.655 121.223 0.003 0.000 2.083 448 L HA -0.230 4.112 4.340 0.004 0.000 0.209 448 L C 2.608 179.388 176.870 -0.150 0.000 1.083 448 L CA 1.892 56.660 54.840 -0.121 0.000 0.752 448 L CB -0.644 41.288 42.059 -0.213 0.000 0.899 448 L HN 0.207 nan 8.230 nan 0.000 0.433 449 K N -0.011 120.308 120.400 -0.135 0.000 2.009 449 K HA -0.224 4.098 4.320 0.004 0.000 0.210 449 K C 2.101 178.495 176.600 -0.343 0.000 1.049 449 K CA 1.858 57.996 56.287 -0.249 0.000 0.929 449 K CB -0.246 32.076 32.500 -0.298 0.000 0.714 449 K HN 0.169 nan 8.250 nan 0.000 0.440 450 Y N 0.327 120.562 120.300 -0.107 0.000 2.475 450 Y HA 0.057 4.609 4.550 0.004 0.000 0.289 450 Y C 2.384 178.190 175.900 -0.157 0.000 1.121 450 Y CA 0.802 58.839 58.100 -0.105 0.000 1.257 450 Y CB -0.022 38.398 38.460 -0.067 0.000 1.026 450 Y HN 0.092 nan 8.280 nan 0.000 0.555 451 R N 1.179 121.591 120.500 -0.147 0.000 2.127 451 R HA -0.193 4.149 4.340 0.004 0.000 0.238 451 R C 1.717 177.948 176.300 -0.115 0.000 1.134 451 R CA 1.560 57.539 56.100 -0.201 0.000 0.975 451 R CB -0.080 30.031 30.300 -0.315 0.000 0.865 451 R HN 0.234 nan 8.270 nan 0.000 0.447 452 K N 0.187 120.516 120.400 -0.118 0.000 2.360 452 K HA -0.091 4.232 4.320 0.004 0.000 0.201 452 K C 1.741 178.296 176.600 -0.074 0.000 1.046 452 K CA 0.871 57.100 56.287 -0.096 0.000 0.945 452 K CB 0.007 32.436 32.500 -0.118 0.000 0.750 452 K HN 0.283 nan 8.250 nan 0.000 0.464 453 L N 0.928 122.114 121.223 -0.062 0.000 2.376 453 L HA -0.017 4.325 4.340 0.004 0.000 0.219 453 L C 0.790 177.640 176.870 -0.032 0.000 1.133 453 L CA 0.213 55.033 54.840 -0.033 0.000 0.816 453 L CB -0.292 41.775 42.059 0.013 0.000 0.933 453 L HN 0.134 nan 8.230 nan 0.000 0.449 454 L N 0.342 121.540 121.223 -0.042 0.000 2.436 454 L HA 0.201 4.543 4.340 0.004 0.000 0.265 454 L C -1.930 174.915 176.870 -0.042 0.000 1.168 454 L CA -1.965 52.847 54.840 -0.048 0.000 0.815 454 L CB 0.011 42.038 42.059 -0.054 0.000 1.109 454 L HN -0.221 nan 8.230 nan 0.000 0.462 455 P HA -0.004 nan 4.420 nan 0.000 0.265 455 P C -0.048 177.239 177.300 -0.023 0.000 1.187 455 P CA 0.041 63.118 63.100 -0.038 0.000 0.766 455 P CB 0.485 32.153 31.700 -0.054 0.000 0.820 456 K N 1.899 122.297 120.400 -0.004 0.000 2.059 456 K HA -0.274 4.048 4.320 0.004 0.000 0.212 456 K C 1.874 178.509 176.600 0.058 0.000 1.050 456 K CA 1.943 58.243 56.287 0.023 0.000 0.927 456 K CB -0.296 32.223 32.500 0.031 0.000 0.714 456 K HN 0.482 nan 8.250 nan 0.000 0.447 457 Q N 0.645 120.480 119.800 0.059 0.000 2.170 457 Q HA -0.066 4.276 4.340 0.004 0.000 0.203 457 Q C 1.865 177.871 176.000 0.010 0.000 0.976 457 Q CA 1.082 56.949 55.803 0.106 0.000 0.858 457 Q CB -0.049 28.669 28.738 -0.032 0.000 0.907 457 Q HN 0.306 nan 8.270 nan 0.000 0.433 458 L N 0.157 121.349 121.223 -0.052 0.000 2.554 458 L HA -0.059 4.283 4.340 0.004 0.000 0.226 458 L C 1.859 178.727 176.870 -0.004 0.000 1.137 458 L CA 0.447 55.244 54.840 -0.072 0.000 0.863 458 L CB -0.168 41.829 42.059 -0.103 0.000 0.985 458 L HN 0.278 nan 8.230 nan 0.000 0.451 459 Q N -0.104 119.713 119.800 0.029 0.000 2.245 459 Q HA -0.084 4.258 4.340 0.004 0.000 0.201 459 Q C 1.853 177.910 176.000 0.096 0.000 0.955 459 Q CA 0.921 56.749 55.803 0.041 0.000 0.870 459 Q CB 0.202 28.956 28.738 0.026 0.000 0.945 459 Q HN 0.367 nan 8.270 nan 0.000 0.461 460 R N -0.020 120.575 120.500 0.158 0.000 2.308 460 R HA 0.073 4.415 4.340 0.004 0.000 0.202 460 R C 0.062 176.520 176.300 0.263 0.000 0.898 460 R CA -0.057 56.164 56.100 0.202 0.000 1.046 460 R CB 0.395 30.824 30.300 0.215 0.000 1.026 460 R HN -0.001 nan 8.270 nan 0.000 0.512 461 N N 1.369 120.220 118.700 0.253 0.000 2.482 461 N HA 0.011 4.753 4.740 0.004 0.000 0.242 461 N C -1.134 174.439 175.510 0.105 0.000 1.100 461 N CA -0.026 53.158 53.050 0.224 0.000 0.946 461 N CB 0.589 39.067 38.487 -0.015 0.000 1.227 461 N HN 0.022 nan 8.380 nan 0.000 0.508 462 T N 1.196 115.815 114.554 0.108 0.000 2.918 462 T HA 0.689 5.041 4.350 0.004 0.000 0.286 462 T C 0.402 175.111 174.700 0.015 0.000 1.026 462 T CA -0.950 61.186 62.100 0.059 0.000 1.031 462 T CB 0.955 69.868 68.868 0.076 0.000 1.046 462 T HN 0.369 nan 8.240 nan 0.000 0.479 463 I N -1.762 118.796 120.570 -0.019 0.000 2.934 463 I HA 0.754 4.926 4.170 0.004 0.000 0.306 463 I C -3.153 172.937 176.117 -0.044 0.000 1.110 463 I CA -3.499 57.763 61.300 -0.064 0.000 1.019 463 I CB 2.180 40.141 38.000 -0.065 0.000 1.227 463 I HN 0.343 nan 8.210 nan 0.000 0.434 464 P HA 0.155 nan 4.420 nan 0.000 0.274 464 P C -1.045 176.346 177.300 0.151 0.000 1.256 464 P CA -0.118 63.021 63.100 0.065 0.000 0.795 464 P CB 0.442 32.218 31.700 0.125 0.000 1.038 465 D N -0.270 120.182 120.400 0.088 0.000 2.423 465 D HA 0.267 4.910 4.640 0.004 0.000 0.238 465 D C 1.379 177.738 176.300 0.098 0.000 1.142 465 D CA 1.669 55.705 54.000 0.060 0.000 0.884 465 D CB -0.065 40.758 40.800 0.040 0.000 1.199 465 D HN 0.662 nan 8.370 nan 0.000 0.438 466 G N 2.254 111.070 108.800 0.028 0.000 2.157 466 G HA2 -0.291 3.671 3.960 0.004 0.000 0.239 466 G HA3 -0.291 3.671 3.960 0.004 0.000 0.239 466 G C 0.460 175.219 174.900 -0.235 0.000 0.982 466 G CA 0.267 45.308 45.100 -0.099 0.000 0.650 466 G HN 0.513 nan 8.290 nan 0.000 0.527 467 Y N 0.890 121.189 120.300 -0.001 0.000 2.660 467 Y HA 0.464 5.015 4.550 0.003 0.000 0.254 467 Y C 1.637 177.541 175.900 0.007 0.000 1.176 467 Y CA 0.720 58.823 58.100 0.005 0.000 1.195 467 Y CB 0.784 39.246 38.460 0.003 0.000 1.190 467 Y HN 1.099 nan 8.280 nan 0.000 0.535 468 G N 0.433 109.291 108.800 0.096 0.000 2.587 468 G HA2 -0.220 3.742 3.960 0.004 0.000 0.212 468 G HA3 -0.220 3.742 3.960 0.004 0.000 0.212 468 G C -0.406 174.530 174.900 0.061 0.000 1.327 468 G CA -0.128 45.014 45.100 0.071 0.000 0.898 468 G HN 0.211 nan 8.290 nan 0.000 0.551 469 D N 0.637 121.068 120.400 0.051 0.000 2.650 469 D HA 0.325 4.967 4.640 0.004 0.000 0.265 469 D C 1.601 177.917 176.300 0.027 0.000 1.339 469 D CA 0.635 54.658 54.000 0.037 0.000 0.816 469 D CB 0.270 41.095 40.800 0.041 0.000 1.091 469 D HN 0.777 nan 8.370 nan 0.000 0.483 470 G N 0.309 109.126 108.800 0.028 0.000 2.920 470 G HA2 0.371 4.333 3.960 0.004 0.000 0.208 470 G HA3 0.371 4.333 3.960 0.004 0.000 0.208 470 G C 0.582 175.466 174.900 -0.026 0.000 1.159 470 G CA 0.337 45.441 45.100 0.007 0.000 0.784 470 G HN 0.359 nan 8.290 nan 0.000 0.535 471 A N -0.900 121.910 122.820 -0.016 0.000 2.586 471 A HA 0.601 4.924 4.320 0.004 0.000 0.290 471 A C -1.539 176.042 177.584 -0.005 0.000 1.086 471 A CA -0.673 51.349 52.037 -0.025 0.000 0.665 471 A CB 0.769 19.750 19.000 -0.031 0.000 1.279 471 A HN 0.050 nan 8.150 nan 0.000 0.423 472 L N 1.202 122.432 121.223 0.012 0.000 2.410 472 L HA 0.277 4.619 4.340 0.004 0.000 0.273 472 L C 0.351 177.213 176.870 -0.013 0.000 1.144 472 L CA 0.160 55.025 54.840 0.043 0.000 0.863 472 L CB 0.738 42.863 42.059 0.109 0.000 1.140 472 L HN 0.453 nan 8.230 nan 0.000 0.463 473 V N 5.098 124.940 119.914 -0.121 0.000 2.540 473 V HA 0.536 4.658 4.120 0.004 0.000 0.297 473 V C 0.876 176.763 176.094 -0.344 0.000 1.024 473 V CA 0.866 62.975 62.300 -0.317 0.000 1.105 473 V CB 0.143 31.564 31.823 -0.670 0.000 0.938 473 V HN 1.032 nan 8.190 nan 0.000 0.482 474 G N 3.544 112.251 108.800 -0.156 0.000 2.529 474 G HA2 0.406 4.368 3.960 0.004 0.000 0.238 474 G HA3 0.406 4.368 3.960 0.004 0.000 0.238 474 G C -0.690 174.236 174.900 0.045 0.000 1.207 474 G CA 0.163 45.271 45.100 0.013 0.000 0.928 474 G HN 0.778 nan 8.290 nan 0.000 0.495 475 S N -0.372 115.379 115.700 0.084 0.000 2.452 475 S HA 0.371 4.843 4.470 0.004 0.000 0.284 475 S C 1.132 175.759 174.600 0.044 0.000 1.171 475 S CA 0.153 58.392 58.200 0.065 0.000 1.064 475 S CB 1.415 64.661 63.200 0.077 0.000 0.967 475 S HN 1.342 nan 8.310 nan 0.000 0.484 476 V N 6.249 126.174 119.914 0.019 0.000 2.970 476 V HA 0.039 4.161 4.120 0.004 0.000 0.260 476 V C 1.619 177.723 176.094 0.016 0.000 1.100 476 V CA 1.513 63.815 62.300 0.003 0.000 1.122 476 V CB -0.579 31.216 31.823 -0.046 0.000 0.721 476 V HN 0.945 nan 8.190 nan 0.000 0.483 477 L N 0.068 121.305 121.223 0.023 0.000 2.478 477 L HA 0.068 4.410 4.340 0.004 0.000 0.223 477 L C 1.944 178.827 176.870 0.022 0.000 1.140 477 L CA 1.168 56.023 54.840 0.023 0.000 0.842 477 L CB -0.200 41.876 42.059 0.029 0.000 0.953 477 L HN 0.454 nan 8.230 nan 0.000 0.452 478 I N -4.301 116.285 120.570 0.027 0.000 3.976 478 I HA 0.168 4.341 4.170 0.004 0.000 0.337 478 I C 0.637 176.759 176.117 0.009 0.000 1.359 478 I CA -0.297 61.014 61.300 0.019 0.000 1.098 478 I CB -0.116 37.904 38.000 0.034 0.000 1.027 478 I HN 0.034 nan 8.210 nan 0.000 0.394 479 N N 4.604 123.317 118.700 0.022 0.000 2.405 479 N HA 0.145 4.888 4.740 0.004 0.000 0.260 479 N C -1.338 174.147 175.510 -0.041 0.000 1.152 479 N CA -1.936 51.135 53.050 0.034 0.000 0.948 479 N CB 0.954 39.496 38.487 0.092 0.000 1.111 479 N HN 0.142 nan 8.380 nan 0.000 0.485 480 P HA -0.063 nan 4.420 nan 0.000 0.226 480 P C 0.558 177.616 177.300 -0.402 0.000 1.153 480 P CA 1.008 63.891 63.100 -0.362 0.000 0.777 480 P CB 0.003 31.361 31.700 -0.571 0.000 0.794 481 F N 0.213 120.191 119.950 0.047 0.000 2.698 481 F HA 0.305 4.834 4.527 0.003 0.000 0.295 481 F C 1.714 177.585 175.800 0.119 0.000 1.124 481 F CA -0.417 57.631 58.000 0.079 0.000 1.426 481 F CB -1.050 37.988 39.000 0.063 0.000 1.120 481 F HN -0.162 nan 8.300 nan 0.000 0.583 482 A N 1.365 124.310 122.820 0.210 0.000 2.445 482 A HA 0.431 4.753 4.320 0.004 0.000 0.242 482 A C 0.141 177.802 177.584 0.128 0.000 1.075 482 A CA -0.093 52.044 52.037 0.168 0.000 0.777 482 A CB 0.053 19.107 19.000 0.090 0.000 1.013 482 A HN 0.343 nan 8.150 nan 0.000 0.493 483 K N 1.917 122.403 120.400 0.142 0.000 2.565 483 K HA 0.219 4.541 4.320 0.004 0.000 0.249 483 K C -1.335 175.318 176.600 0.088 0.000 0.958 483 K CA -0.671 55.669 56.287 0.088 0.000 0.806 483 K CB 1.651 34.193 32.500 0.070 0.000 1.194 483 K HN 0.628 nan 8.250 nan 0.000 0.434 484 N N 2.937 121.645 118.700 0.014 0.000 2.402 484 N HA 0.095 4.837 4.740 0.004 0.000 0.252 484 N C -1.048 174.416 175.510 -0.077 0.000 1.118 484 N CA -0.223 52.810 53.050 -0.028 0.000 0.945 484 N CB 0.493 38.938 38.487 -0.070 0.000 1.147 484 N HN 0.303 nan 8.380 nan 0.000 0.495 485 R N 2.137 122.657 120.500 0.033 0.000 2.393 485 R HA 0.414 4.756 4.340 0.004 0.000 0.315 485 R C 0.519 176.815 176.300 -0.007 0.000 0.952 485 R CA -0.742 55.355 56.100 -0.005 0.000 0.842 485 R CB 0.759 31.100 30.300 0.068 0.000 1.163 485 R HN 0.702 nan 8.270 nan 0.000 0.450 486 G N 2.223 110.912 108.800 -0.184 0.000 2.341 486 G HA2 -0.295 3.668 3.960 0.004 0.000 0.292 486 G HA3 -0.295 3.668 3.960 0.004 0.000 0.292 486 G C 0.018 174.922 174.900 0.008 0.000 1.021 486 G CA 0.700 45.721 45.100 -0.132 0.000 0.905 486 G HN 0.905 nan 8.290 nan 0.000 0.508 487 W N -3.599 117.727 121.300 0.042 0.000 3.160 487 W HA -0.195 4.467 4.660 0.004 0.000 0.299 487 W C 0.627 177.138 176.519 -0.013 0.000 1.141 487 W CA 0.110 57.465 57.345 0.015 0.000 0.612 487 W CB -2.059 27.409 29.460 0.014 0.000 2.186 487 W HN 0.461 nan 8.180 nan 0.000 1.364 488 I N 0.364 120.983 120.570 0.080 0.000 2.433 488 I HA 0.331 4.503 4.170 0.004 0.000 0.292 488 I C 0.693 176.654 176.117 -0.260 0.000 1.001 488 I CA -1.057 60.177 61.300 -0.109 0.000 1.119 488 I CB 1.576 39.454 38.000 -0.204 0.000 1.289 488 I HN -0.099 nan 8.210 nan 0.000 0.438 489 R N 5.511 125.851 120.500 -0.267 0.000 2.265 489 R HA 0.410 4.752 4.340 0.004 0.000 0.314 489 R C -1.723 174.371 176.300 -0.344 0.000 1.053 489 R CA -0.226 55.761 56.100 -0.188 0.000 0.931 489 R CB 0.588 30.838 30.300 -0.084 0.000 1.024 489 R HN 0.442 nan 8.270 nan 0.000 0.457 490 Y N 2.823 123.153 120.300 0.050 0.000 2.377 490 Y HA 0.437 4.989 4.550 0.003 0.000 0.339 490 Y C -0.245 175.769 175.900 0.190 0.000 1.011 490 Y CA -0.729 57.438 58.100 0.112 0.000 1.093 490 Y CB 2.178 40.704 38.460 0.111 0.000 1.201 490 Y HN 0.189 nan 8.280 nan 0.000 0.455 491 V N 5.135 125.228 119.914 0.299 0.000 2.656 491 V HA 0.480 4.602 4.120 0.004 0.000 0.307 491 V C -2.431 173.664 176.094 0.000 0.000 1.051 491 V CA -2.354 60.045 62.300 0.165 0.000 0.893 491 V CB 2.318 34.146 31.823 0.008 0.000 0.999 491 V HN 0.552 nan 8.190 nan 0.000 0.426 492 P HA 0.388 nan 4.420 nan 0.000 0.285 492 P C -0.963 176.155 177.300 -0.303 0.000 1.259 492 P CA -0.120 62.580 63.100 -0.667 0.000 0.794 492 P CB 1.632 32.832 31.700 -0.835 0.000 0.940 493 V N 1.288 121.061 119.914 -0.235 0.000 2.962 493 V HA 0.538 4.660 4.120 0.004 0.000 0.313 493 V C -0.013 176.024 176.094 -0.095 0.000 1.099 493 V CA -1.340 60.886 62.300 -0.122 0.000 0.971 493 V CB 1.876 33.674 31.823 -0.042 0.000 1.028 493 V HN 0.297 nan 8.190 nan 0.000 0.430 494 I N 3.539 124.074 120.570 -0.060 0.000 2.496 494 I HA 0.489 4.661 4.170 0.004 0.000 0.285 494 I C 0.761 176.918 176.117 0.066 0.000 1.080 494 I CA 0.503 61.800 61.300 -0.006 0.000 1.404 494 I CB 1.386 39.360 38.000 -0.043 0.000 1.403 494 I HN 1.063 nan 8.210 nan 0.000 0.539 495 T N 0.973 115.598 114.554 0.119 0.000 2.887 495 T HA 0.352 4.704 4.350 0.004 0.000 0.292 495 T C -0.657 174.141 174.700 0.163 0.000 1.087 495 T CA -1.100 61.073 62.100 0.123 0.000 1.009 495 T CB 1.813 70.722 68.868 0.068 0.000 1.203 495 T HN 0.287 nan 8.240 nan 0.000 0.518 496 D N 1.575 122.020 120.400 0.075 0.000 2.390 496 D HA 0.182 4.824 4.640 0.004 0.000 0.249 496 D C -0.020 176.266 176.300 -0.024 0.000 1.144 496 D CA 0.326 54.303 54.000 -0.038 0.000 0.880 496 D CB 0.358 41.111 40.800 -0.078 0.000 1.182 496 D HN 0.751 nan 8.370 nan 0.000 0.451 497 H N 0.592 119.577 119.070 -0.142 0.000 2.722 497 H HA 0.322 4.880 4.556 0.004 0.000 0.328 497 H C -0.175 175.096 175.328 -0.094 0.000 1.067 497 H CA -0.087 55.906 56.048 -0.091 0.000 1.447 497 H CB 0.516 30.222 29.762 -0.094 0.000 1.469 497 H HN 0.308 nan 8.280 nan 0.000 0.544 498 T N 3.235 117.398 114.554 -0.652 0.000 2.901 498 T HA 0.612 4.965 4.350 0.004 0.000 0.293 498 T C -0.556 173.857 174.700 -0.477 0.000 1.084 498 T CA -1.358 60.480 62.100 -0.436 0.000 1.008 498 T CB 1.743 70.476 68.868 -0.224 0.000 1.170 498 T HN 0.513 nan 8.240 nan 0.000 0.509 499 R N 1.410 121.758 120.500 -0.253 0.000 2.599 499 R HA 0.454 4.796 4.340 0.004 0.000 0.295 499 R C -1.168 175.068 176.300 -0.106 0.000 0.963 499 R CA -0.761 55.245 56.100 -0.157 0.000 0.883 499 R CB 1.519 31.765 30.300 -0.089 0.000 1.171 499 R HN 0.743 nan 8.270 nan 0.000 0.450 500 D N 2.151 122.504 120.400 -0.078 0.000 2.414 500 D HA 0.148 4.790 4.640 0.004 0.000 0.242 500 D C 0.322 176.599 176.300 -0.039 0.000 1.129 500 D CA 0.395 54.362 54.000 -0.055 0.000 0.885 500 D CB 0.948 41.724 40.800 -0.040 0.000 1.198 500 D HN 0.102 nan 8.370 nan 0.000 0.437 501 R N 0.688 121.170 120.500 -0.030 0.000 2.832 501 R HA 0.297 4.639 4.340 0.004 0.000 0.271 501 R C 0.056 176.366 176.300 0.017 0.000 0.996 501 R CA -0.951 55.147 56.100 -0.003 0.000 0.977 501 R CB 1.537 31.836 30.300 -0.001 0.000 1.168 501 R HN 0.486 nan 8.270 nan 0.000 0.482 502 E N 2.921 123.148 120.200 0.046 0.000 2.313 502 E HA 0.112 4.464 4.350 0.004 0.000 0.276 502 E C -0.613 176.031 176.600 0.073 0.000 1.031 502 E CA -0.728 55.699 56.400 0.045 0.000 0.857 502 E CB 0.973 30.702 29.700 0.048 0.000 1.040 502 E HN 0.469 nan 8.360 nan 0.000 0.408 503 R N 1.931 122.427 120.500 -0.008 0.000 2.490 503 R HA 0.421 4.764 4.340 0.004 0.000 0.278 503 R C -0.449 175.812 176.300 -0.065 0.000 1.069 503 R CA -0.385 55.650 56.100 -0.108 0.000 1.080 503 R CB 0.759 30.955 30.300 -0.173 0.000 1.030 503 R HN 0.529 nan 8.270 nan 0.000 0.491 504 A N 2.506 125.230 122.820 -0.161 0.000 2.484 504 A HA 0.012 4.335 4.320 0.004 0.000 0.268 504 A C 0.811 178.362 177.584 -0.054 0.000 1.114 504 A CA -0.332 51.676 52.037 -0.048 0.000 0.780 504 A CB 0.304 19.279 19.000 -0.042 0.000 1.061 504 A HN 0.974 nan 8.150 nan 0.000 0.505 505 E N 2.204 122.403 120.200 -0.002 0.000 2.028 505 E HA -0.155 4.198 4.350 0.004 0.000 0.191 505 E C 1.664 178.286 176.600 0.036 0.000 0.988 505 E CA 1.579 57.983 56.400 0.006 0.000 0.799 505 E CB -0.191 29.512 29.700 0.005 0.000 0.755 505 E HN 0.709 nan 8.360 nan 0.000 0.447 506 L N -0.096 121.156 121.223 0.048 0.000 2.056 506 L HA 0.078 4.421 4.340 0.004 0.000 0.207 506 L C 2.109 179.019 176.870 0.065 0.000 1.078 506 L CA 2.339 57.230 54.840 0.085 0.000 0.749 506 L CB -1.023 41.087 42.059 0.086 0.000 0.901 506 L HN 0.222 nan 8.230 nan 0.000 0.433 507 G N -1.358 107.470 108.800 0.046 0.000 2.440 507 G HA2 -0.268 3.695 3.960 0.004 0.000 0.218 507 G HA3 -0.268 3.695 3.960 0.004 0.000 0.218 507 G C 1.577 176.502 174.900 0.041 0.000 1.154 507 G CA 0.948 46.081 45.100 0.055 0.000 0.767 507 G HN 0.484 nan 8.290 nan 0.000 0.552 508 S N -0.408 115.306 115.700 0.024 0.000 2.383 508 S HA -0.112 4.360 4.470 0.004 0.000 0.227 508 S C 1.966 176.634 174.600 0.112 0.000 1.026 508 S CA 1.095 59.344 58.200 0.082 0.000 0.981 508 S CB -0.395 62.821 63.200 0.026 0.000 0.818 508 S HN 0.516 nan 8.310 nan 0.000 0.472 509 Y N 2.061 122.324 120.300 -0.062 0.000 2.181 509 Y HA -0.093 4.459 4.550 0.003 0.000 0.288 509 Y C 1.815 177.583 175.900 -0.219 0.000 1.146 509 Y CA 0.973 59.011 58.100 -0.104 0.000 1.164 509 Y CB -0.485 37.919 38.460 -0.093 0.000 0.982 509 Y HN 0.091 nan 8.280 nan 0.000 0.515 510 L N -0.710 120.238 121.223 -0.457 0.000 2.056 510 L HA -0.204 4.138 4.340 0.004 0.000 0.207 510 L C 2.284 178.667 176.870 -0.812 0.000 1.078 510 L CA 1.738 56.060 54.840 -0.863 0.000 0.749 510 L CB -2.016 39.470 42.059 -0.954 0.000 0.901 510 L HN 0.377 nan 8.230 nan 0.000 0.433 511 Y N 1.074 120.978 120.300 -0.660 0.000 2.128 511 Y HA -0.298 4.254 4.550 0.004 0.000 0.284 511 Y C 2.573 178.418 175.900 -0.092 0.000 1.154 511 Y CA 2.016 59.961 58.100 -0.258 0.000 1.149 511 Y CB -0.505 37.989 38.460 0.056 0.000 0.976 511 Y HN 0.403 nan 8.280 nan 0.000 0.505 512 D N -0.120 120.114 120.400 -0.277 0.000 2.097 512 D HA -0.191 4.451 4.640 0.004 0.000 0.195 512 D C 2.193 178.324 176.300 -0.282 0.000 0.989 512 D CA 1.529 55.347 54.000 -0.305 0.000 0.827 512 D CB -0.352 40.373 40.800 -0.125 0.000 0.966 512 D HN 0.417 nan 8.370 nan 0.000 0.456 513 L N -0.023 120.984 121.223 -0.360 0.000 2.056 513 L HA -0.028 4.314 4.340 0.004 0.000 0.207 513 L C 2.383 179.142 176.870 -0.185 0.000 1.078 513 L CA 1.287 55.934 54.840 -0.321 0.000 0.749 513 L CB -1.099 40.631 42.059 -0.549 0.000 0.901 513 L HN 0.044 nan 8.230 nan 0.000 0.433 514 F N -0.433 119.317 119.950 -0.333 0.000 2.095 514 F HA -0.245 4.284 4.527 0.004 0.000 0.298 514 F C 2.496 178.229 175.800 -0.112 0.000 1.104 514 F CA 1.945 59.845 58.000 -0.167 0.000 1.232 514 F CB -0.408 38.517 39.000 -0.126 0.000 0.987 514 F HN 0.073 nan 8.300 nan 0.000 0.475 515 S N 0.877 116.536 115.700 -0.069 0.000 2.368 515 S HA -0.227 4.245 4.470 0.004 0.000 0.225 515 S C 1.916 176.394 174.600 -0.203 0.000 1.030 515 S CA 1.545 59.647 58.200 -0.163 0.000 0.999 515 S CB -0.529 62.500 63.200 -0.284 0.000 0.844 515 S HN 0.570 nan 8.310 nan 0.000 0.459 516 R N 0.230 120.620 120.500 -0.184 0.000 2.236 516 R HA 0.155 4.497 4.340 0.004 0.000 0.208 516 R C 1.488 177.706 176.300 -0.136 0.000 1.036 516 R CA 1.099 57.115 56.100 -0.139 0.000 1.001 516 R CB -0.715 29.521 30.300 -0.106 0.000 0.896 516 R HN 0.329 nan 8.270 nan 0.000 0.464 517 C N 1.048 120.242 119.300 -0.177 0.000 2.735 517 C HA 0.204 4.666 4.460 0.004 0.000 0.271 517 C C 1.982 176.837 174.990 -0.224 0.000 1.281 517 C CA -0.574 58.349 59.018 -0.159 0.000 1.719 517 C CB -0.214 27.457 27.740 -0.115 0.000 2.024 517 C HN 0.635 nan 8.230 nan 0.000 0.566 518 L N 0.546 121.558 121.223 -0.352 0.000 2.465 518 L HA 0.179 4.521 4.340 0.004 0.000 0.224 518 L C 0.790 177.520 176.870 -0.234 0.000 1.145 518 L CA 1.244 55.848 54.840 -0.393 0.000 0.834 518 L CB -1.185 40.530 42.059 -0.575 0.000 0.944 518 L HN 0.040 nan 8.230 nan 0.000 0.451 534 D N 3.330 123.744 120.400 0.023 0.000 2.417 534 D HA 0.285 4.927 4.640 0.004 0.000 0.250 534 D C 0.602 176.920 176.300 0.029 0.000 1.166 534 D CA 0.904 54.932 54.000 0.047 0.000 0.881 534 D CB 1.591 42.429 40.800 0.062 0.000 1.164 534 D HN 0.794 nan 8.370 nan 0.000 0.467 535 S N 1.448 117.179 115.700 0.052 0.000 2.562 535 S HA 0.451 4.924 4.470 0.004 0.000 0.275 535 S C 1.275 175.921 174.600 0.077 0.000 1.281 535 S CA -0.411 57.816 58.200 0.044 0.000 1.045 535 S CB 1.866 65.091 63.200 0.042 0.000 0.962 535 S HN 0.393 nan 8.310 nan 0.000 0.503 536 A N 2.393 125.242 122.820 0.049 0.000 2.032 536 A HA -0.142 4.180 4.320 0.004 0.000 0.221 536 A C 1.810 179.478 177.584 0.139 0.000 1.165 536 A CA 1.742 53.829 52.037 0.082 0.000 0.645 536 A CB -0.826 18.196 19.000 0.036 0.000 0.807 536 A HN 0.938 nan 8.150 nan 0.000 0.453 537 D N 0.220 120.676 120.400 0.093 0.000 2.077 537 D HA -0.139 4.503 4.640 0.004 0.000 0.193 537 D C 1.789 178.141 176.300 0.088 0.000 0.989 537 D CA 1.947 55.993 54.000 0.078 0.000 0.831 537 D CB -0.415 40.415 40.800 0.050 0.000 0.979 537 D HN 0.524 nan 8.370 nan 0.000 0.449 538 L N -1.054 120.221 121.223 0.088 0.000 2.622 538 L HA 0.101 4.443 4.340 0.004 0.000 0.233 538 L C 1.869 178.796 176.870 0.095 0.000 1.156 538 L CA 0.898 55.781 54.840 0.072 0.000 0.866 538 L CB -1.229 40.864 42.059 0.058 0.000 0.980 538 L HN -0.094 nan 8.230 nan 0.000 0.448 539 F N 1.206 121.162 119.950 0.010 0.000 2.179 539 F HA 0.204 4.732 4.527 0.003 0.000 0.292 539 F C 2.421 178.227 175.800 0.010 0.000 1.089 539 F CA 1.055 59.062 58.000 0.010 0.000 1.295 539 F CB -0.238 38.767 39.000 0.010 0.000 1.041 539 F HN 0.103 nan 8.300 nan 0.000 0.487 540 A N 0.791 123.669 122.820 0.096 0.000 1.969 540 A HA -0.100 4.223 4.320 0.004 0.000 0.218 540 A C 2.227 179.763 177.584 -0.080 0.000 1.169 540 A CA 1.759 53.789 52.037 -0.010 0.000 0.635 540 A CB -1.212 17.839 19.000 0.085 0.000 0.810 540 A HN 0.516 nan 8.150 nan 0.000 0.445 541 I N -0.416 120.129 120.570 -0.043 0.000 2.252 541 I HA -0.209 3.963 4.170 0.004 0.000 0.245 541 I C 2.260 178.328 176.117 -0.082 0.000 1.102 541 I CA 1.574 62.849 61.300 -0.042 0.000 1.385 541 I CB -0.366 37.628 38.000 -0.010 0.000 1.064 541 I HN 0.326 nan 8.210 nan 0.000 0.414 542 D N 0.691 121.012 120.400 -0.131 0.000 2.144 542 D HA -0.214 4.429 4.640 0.004 0.000 0.199 542 D C 2.097 178.282 176.300 -0.191 0.000 0.984 542 D CA 1.243 55.152 54.000 -0.151 0.000 0.834 542 D CB 0.080 40.775 40.800 -0.174 0.000 0.955 542 D HN 0.167 nan 8.370 nan 0.000 0.465 543 Q N -0.085 119.544 119.800 -0.284 0.000 2.308 543 Q HA -0.095 4.247 4.340 0.004 0.000 0.209 543 Q C 1.930 177.857 176.000 -0.122 0.000 0.985 543 Q CA 0.360 56.021 55.803 -0.237 0.000 0.881 543 Q CB -0.337 28.242 28.738 -0.264 0.000 0.917 543 Q HN 0.266 nan 8.270 nan 0.000 0.443 544 L N -0.365 120.802 121.223 -0.093 0.000 2.093 544 L HA -0.060 4.282 4.340 0.004 0.000 0.208 544 L C 0.457 177.302 176.870 -0.041 0.000 1.085 544 L CA 0.909 55.717 54.840 -0.052 0.000 0.755 544 L CB -0.427 41.610 42.059 -0.036 0.000 0.904 544 L HN 0.145 nan 8.230 nan 0.000 0.435 545 I N -0.572 119.970 120.570 -0.047 0.000 2.416 545 I HA -0.012 4.161 4.170 0.004 0.000 0.288 545 I C 0.417 176.517 176.117 -0.029 0.000 1.051 545 I CA -0.356 60.926 61.300 -0.030 0.000 1.375 545 I CB 0.156 38.141 38.000 -0.025 0.000 1.407 545 I HN 0.041 nan 8.210 nan 0.000 0.516 546 C N 8.086 127.376 119.300 -0.017 0.000 2.566 546 C HA 0.224 4.686 4.460 0.004 0.000 0.393 546 C C 1.912 176.896 174.990 -0.009 0.000 1.309 546 C CA -0.466 58.543 59.018 -0.015 0.000 1.801 546 C CB -0.201 27.534 27.740 -0.009 0.000 2.493 546 C HN 0.722 nan 8.230 nan 0.000 0.575 547 R N 2.918 123.410 120.500 -0.013 0.000 2.210 547 R HA 0.053 4.395 4.340 0.004 0.000 0.203 547 R C 1.369 177.671 176.300 0.004 0.000 1.010 547 R CA 0.493 56.591 56.100 -0.004 0.000 1.008 547 R CB -0.813 29.482 30.300 -0.008 0.000 0.923 547 R HN 0.839 nan 8.270 nan 0.000 0.469 548 S N 1.599 117.295 115.700 -0.005 0.000 2.572 548 S HA 0.177 4.650 4.470 0.004 0.000 0.279 548 S C 0.043 174.654 174.600 0.019 0.000 1.341 548 S CA -0.434 57.764 58.200 -0.003 0.000 1.043 548 S CB 0.903 64.086 63.200 -0.028 0.000 0.887 548 S HN 0.081 nan 8.310 nan 0.000 0.516 549 N N 2.846 121.571 118.700 0.042 0.000 2.296 549 N HA 0.465 5.207 4.740 0.004 0.000 0.294 549 N C -2.886 172.669 175.510 0.075 0.000 1.033 549 N CA -1.196 51.888 53.050 0.056 0.000 0.839 549 N CB 1.465 39.993 38.487 0.068 0.000 1.395 549 N HN 0.521 nan 8.380 nan 0.000 0.479 550 P HA 0.066 nan 4.420 nan 0.000 0.267 550 P C -0.258 177.081 177.300 0.065 0.000 1.200 550 P CA 0.223 63.357 63.100 0.057 0.000 0.772 550 P CB 0.303 32.022 31.700 0.031 0.000 0.855 551 T N 3.349 117.945 114.554 0.069 0.000 2.888 551 T HA 0.156 4.509 4.350 0.004 0.000 0.301 551 T C 0.168 174.803 174.700 -0.109 0.000 1.001 551 T CA 0.246 62.328 62.100 -0.029 0.000 1.147 551 T CB 0.048 68.867 68.868 -0.081 0.000 0.931 551 T HN 0.317 nan 8.240 nan 0.000 0.541 552 K N 3.575 123.882 120.400 -0.154 0.000 2.565 552 K HA 0.412 4.735 4.320 0.004 0.000 0.249 552 K C -1.301 175.210 176.600 -0.149 0.000 0.958 552 K CA -0.703 55.513 56.287 -0.118 0.000 0.806 552 K CB 0.984 33.453 32.500 -0.053 0.000 1.194 552 K HN 0.358 nan 8.250 nan 0.000 0.434 553 I N 2.247 122.738 120.570 -0.130 0.000 2.460 553 I HA 0.422 4.594 4.170 0.004 0.000 0.298 553 I C -0.003 176.077 176.117 -0.063 0.000 0.989 553 I CA -0.556 60.688 61.300 -0.094 0.000 1.173 553 I CB 1.550 39.531 38.000 -0.032 0.000 1.338 553 I HN 0.527 nan 8.210 nan 0.000 0.456 554 S N 5.197 120.857 115.700 -0.066 0.000 2.588 554 S HA 0.646 5.118 4.470 0.004 0.000 0.275 554 S C -0.588 173.957 174.600 -0.093 0.000 1.130 554 S CA -0.833 57.319 58.200 -0.079 0.000 0.855 554 S CB 3.221 66.371 63.200 -0.082 0.000 1.116 554 S HN 0.606 nan 8.310 nan 0.000 0.472 555 R N 1.108 121.545 120.500 -0.105 0.000 2.621 555 R HA 0.563 4.906 4.340 0.004 0.000 0.292 555 R C -0.789 175.441 176.300 -0.117 0.000 0.969 555 R CA -0.423 55.610 56.100 -0.111 0.000 0.887 555 R CB 1.521 31.756 30.300 -0.107 0.000 1.180 555 R HN 0.786 nan 8.270 nan 0.000 0.450 556 S N 1.534 117.168 115.700 -0.111 0.000 2.525 556 S HA 0.090 4.562 4.470 0.004 0.000 0.278 556 S C 0.976 175.518 174.600 -0.096 0.000 1.234 556 S CA -0.150 57.980 58.200 -0.117 0.000 1.058 556 S CB 1.592 64.722 63.200 -0.117 0.000 0.983 556 S HN 0.742 nan 8.310 nan 0.000 0.495 557 T N -0.234 114.284 114.554 -0.061 0.000 3.081 557 T HA 0.396 4.748 4.350 0.004 0.000 0.255 557 T C 1.549 176.204 174.700 -0.073 0.000 1.113 557 T CA 0.598 62.688 62.100 -0.015 0.000 1.082 557 T CB -0.543 68.410 68.868 0.141 0.000 0.939 557 T HN 1.851 nan 8.240 nan 0.000 0.506 558 G N 1.180 109.886 108.800 -0.157 0.000 2.234 558 G HA2 -0.218 3.744 3.960 0.004 0.000 0.235 558 G HA3 -0.218 3.744 3.960 0.004 0.000 0.235 558 G C 0.121 174.787 174.900 -0.389 0.000 0.997 558 G CA 0.095 45.051 45.100 -0.239 0.000 0.623 558 G HN 0.663 nan 8.290 nan 0.000 0.514 559 K N -0.574 119.651 120.400 -0.292 0.000 2.127 559 K HA 0.708 5.030 4.320 0.004 0.000 0.240 559 K C -0.505 175.814 176.600 -0.469 0.000 1.024 559 K CA -0.482 55.625 56.287 -0.301 0.000 0.918 559 K CB 0.544 32.927 32.500 -0.196 0.000 1.108 559 K HN 0.067 nan 8.250 nan 0.000 0.485 560 F N -0.046 119.901 119.950 -0.005 0.000 2.522 560 F HA 0.297 4.826 4.527 0.003 0.000 0.324 560 F C 0.337 176.148 175.800 0.019 0.000 1.077 560 F CA -0.645 57.365 58.000 0.017 0.000 0.944 560 F CB 1.686 40.678 39.000 -0.014 0.000 1.175 560 F HN 0.405 nan 8.300 nan 0.000 0.468 561 D N 0.609 121.146 120.400 0.229 0.000 2.654 561 D HA 0.572 5.215 4.640 0.004 0.000 0.255 561 D C -1.352 175.000 176.300 0.086 0.000 1.101 561 D CA -0.234 53.855 54.000 0.148 0.000 1.116 561 D CB 2.109 43.011 40.800 0.171 0.000 1.348 561 D HN 0.114 nan 8.370 nan 0.000 0.609 562 I N 1.380 121.971 120.570 0.035 0.000 2.582 562 I HA 0.325 4.497 4.170 0.004 0.000 0.292 562 I C -0.454 175.637 176.117 -0.042 0.000 1.066 562 I CA -0.515 60.756 61.300 -0.048 0.000 1.053 562 I CB 1.611 39.553 38.000 -0.098 0.000 1.241 562 I HN 0.390 nan 8.210 nan 0.000 0.421 563 Q N 4.755 124.497 119.800 -0.096 0.000 2.331 563 Q HA 0.433 4.776 4.340 0.004 0.000 0.272 563 Q C -1.973 173.965 176.000 -0.105 0.000 1.062 563 Q CA -0.635 55.154 55.803 -0.024 0.000 0.806 563 Q CB 2.420 31.178 28.738 0.033 0.000 1.312 563 Q HN 0.466 nan 8.270 nan 0.000 0.431 564 Y N 3.698 124.028 120.300 0.049 0.000 2.336 564 Y HA 0.333 4.885 4.550 0.004 0.000 0.335 564 Y C 0.404 176.392 175.900 0.145 0.000 1.046 564 Y CA -0.298 57.854 58.100 0.087 0.000 1.198 564 Y CB 0.671 39.165 38.460 0.056 0.000 1.182 564 Y HN 0.463 nan 8.280 nan 0.000 0.502 565 I N 0.196 120.932 120.570 0.276 0.000 2.693 565 I HA 0.930 5.102 4.170 0.004 0.000 0.303 565 I C -0.356 175.905 176.117 0.240 0.000 1.025 565 I CA -1.434 60.019 61.300 0.256 0.000 1.086 565 I CB 1.899 39.998 38.000 0.164 0.000 1.268 565 I HN 0.548 nan 8.210 nan 0.000 0.440 566 A N 3.863 126.782 122.820 0.165 0.000 2.440 566 A HA 0.542 4.864 4.320 0.004 0.000 0.251 566 A C -0.482 177.053 177.584 -0.081 0.000 1.089 566 A CA -0.157 51.806 52.037 -0.122 0.000 0.779 566 A CB 0.149 19.085 19.000 -0.107 0.000 1.022 566 A HN 0.841 nan 8.150 nan 0.000 0.492 567 C N 1.254 120.427 119.300 -0.211 0.000 2.547 567 C HA 0.691 5.153 4.460 0.004 0.000 0.313 567 C C 0.383 175.286 174.990 -0.145 0.000 1.191 567 C CA -0.362 58.456 59.018 -0.333 0.000 1.474 567 C CB 1.660 29.126 27.740 -0.456 0.000 2.081 567 C HN 0.895 nan 8.230 nan 0.000 0.476 568 S N 1.913 117.609 115.700 -0.006 0.000 2.454 568 S HA 0.553 5.025 4.470 0.004 0.000 0.306 568 S C -0.005 174.621 174.600 0.042 0.000 1.100 568 S CA -0.375 57.853 58.200 0.047 0.000 1.087 568 S CB 1.390 64.658 63.200 0.114 0.000 1.019 568 S HN 0.942 nan 8.310 nan 0.000 0.480 569 S N 3.136 118.848 115.700 0.020 0.000 2.584 569 S HA 0.265 4.737 4.470 0.004 0.000 0.270 569 S C 0.304 174.939 174.600 0.059 0.000 1.346 569 S CA -0.736 57.481 58.200 0.029 0.000 1.018 569 S CB 0.269 63.483 63.200 0.024 0.000 0.899 569 S HN 0.769 nan 8.310 nan 0.000 0.542 570 R N 0.938 121.475 120.500 0.062 0.000 2.619 570 R HA 0.124 4.466 4.340 0.004 0.000 0.268 570 R C -0.538 175.789 176.300 0.045 0.000 0.990 570 R CA -0.176 55.959 56.100 0.059 0.000 1.092 570 R CB -0.078 30.255 30.300 0.056 0.000 0.935 570 R HN 0.579 nan 8.270 nan 0.000 0.415 571 V N 5.611 125.549 119.914 0.039 0.000 3.003 571 V HA 0.101 4.224 4.120 0.004 0.000 0.305 571 V C 0.873 176.982 176.094 0.025 0.000 1.078 571 V CA -0.337 61.980 62.300 0.030 0.000 1.083 571 V CB 1.146 32.984 31.823 0.026 0.000 1.039 571 V HN 0.630 nan 8.190 nan 0.000 0.481 572 L N 2.614 123.849 121.223 0.020 0.000 2.464 572 L HA 0.454 4.796 4.340 0.004 0.000 0.264 572 L C 0.869 177.746 176.870 0.013 0.000 1.199 572 L CA -0.097 54.753 54.840 0.017 0.000 0.818 572 L CB 0.415 42.483 42.059 0.015 0.000 1.102 572 L HN 0.822 nan 8.230 nan 0.000 0.473 573 A N 0.000 122.826 122.820 0.011 0.000 2.254 573 A HA 0.000 4.322 4.320 0.004 0.000 0.244 573 A CA 0.000 52.041 52.037 0.007 0.000 0.836 573 A CB 0.000 19.003 19.000 0.006 0.000 0.831 573 A HN 0.000 nan 8.150 nan 0.000 0.486