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 2i6u_1_C DATA FIRST_RESID 1 DATA SEQUENCE VIRHFLRDDD LSPAEQAEVL ELAAELKKDP VSRRPLQGPR GVAVIFDKNS DATA SEQUENCE TRTRFSFELG IAQLGGHAVV VDSGSTQLGR DETLQDTAKV LSRYVDAIVW DATA SEQUENCE RTFGQERLDA MASVATVPVI NALSDEFHPC QVLADLQTIA ERKGALRGLR DATA SEQUENCE LSYFGDGANN MAHSLLLGGV TAGIHVTVAA PEGFLPDPSV RAAAERRAQD DATA SEQUENCE TGASVTVTAD AHAAAAGADV LVTDTWTSMG QENDGLDRVK PFRPFQLNSR DATA SEQUENCE LLALADSDAI VLHCLPAHRG DEITDAVMDG PASAVWDEAE NRLHAQKALL DATA SEQUENCE VWLLERS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.057 176.094 -0.062 0.000 1.182 1 V CA 0.000 62.272 62.300 -0.047 0.000 1.235 1 V CB 0.000 31.804 31.823 -0.031 0.000 1.184 2 I N 2.966 123.477 120.570 -0.097 0.000 8.444 2 I HA -0.159 4.012 4.170 0.000 0.000 0.126 2 I C -0.049 175.926 176.117 -0.236 0.000 1.836 2 I CA 0.435 61.631 61.300 -0.174 0.000 2.074 2 I CB -0.218 37.671 38.000 -0.185 0.000 3.795 2 I HN 0.654 nan 8.210 nan 0.000 0.181 3 R N 6.028 126.399 120.500 -0.215 0.000 2.229 3 R HA 0.492 4.832 4.340 0.000 0.000 0.332 3 R C -0.008 176.198 176.300 -0.156 0.000 0.989 3 R CA -0.717 55.324 56.100 -0.097 0.000 0.842 3 R CB 0.982 31.312 30.300 0.051 0.000 1.119 3 R HN 0.415 nan 8.270 nan 0.000 0.456 4 H N 1.536 120.701 119.070 0.159 0.000 2.495 4 H HA 0.311 4.867 4.556 0.000 0.000 0.350 4 H C -0.595 174.897 175.328 0.274 0.000 1.202 4 H CA -0.402 55.751 56.048 0.175 0.000 1.322 4 H CB 1.422 31.250 29.762 0.110 0.000 1.544 4 H HN 0.355 nan 8.280 nan 0.000 0.565 5 F N 2.361 122.434 119.950 0.205 0.000 2.686 5 F HA 0.234 4.762 4.527 0.000 0.000 0.365 5 F C -0.336 175.514 175.800 0.083 0.000 1.196 5 F CA -0.349 57.721 58.000 0.116 0.000 1.198 5 F CB -0.137 38.931 39.000 0.113 0.000 1.454 5 F HN 0.323 nan 8.300 nan 0.000 0.539 6 L N 3.794 124.904 121.223 -0.190 0.000 2.609 6 L HA 0.355 4.695 4.340 0.000 0.000 0.230 6 L C 0.347 176.977 176.870 -0.399 0.000 1.087 6 L CA 0.064 54.783 54.840 -0.201 0.000 0.874 6 L CB 0.014 42.015 42.059 -0.096 0.000 1.114 6 L HN 0.402 nan 8.230 nan 0.000 0.488 7 R N -2.166 117.935 120.500 -0.664 0.000 2.712 7 R HA 0.274 4.614 4.340 0.000 0.000 0.272 7 R C -0.854 174.967 176.300 -0.797 0.000 1.032 7 R CA -0.746 54.823 56.100 -0.884 0.000 0.874 7 R CB 0.716 30.198 30.300 -1.363 0.000 1.256 7 R HN -0.264 nan 8.270 nan 0.000 0.468 8 D N 0.537 120.578 120.400 -0.599 0.000 2.144 8 D HA -0.160 4.481 4.640 0.000 0.000 0.199 8 D C 0.675 176.889 176.300 -0.144 0.000 0.984 8 D CA 1.837 55.663 54.000 -0.291 0.000 0.834 8 D CB -0.010 40.715 40.800 -0.124 0.000 0.955 8 D HN 0.679 nan 8.370 nan 0.000 0.465 9 D N 0.023 120.302 120.400 -0.202 0.000 2.336 9 D HA -0.084 4.556 4.640 0.000 0.000 0.229 9 D C 0.640 176.899 176.300 -0.069 0.000 1.061 9 D CA 0.226 54.161 54.000 -0.108 0.000 0.875 9 D CB -0.196 40.540 40.800 -0.107 0.000 0.904 9 D HN 0.032 nan 8.370 nan 0.000 0.525 10 D N 0.194 120.548 120.400 -0.078 0.000 2.350 10 D HA 0.025 4.665 4.640 0.000 0.000 0.216 10 D C 0.478 176.855 176.300 0.127 0.000 0.968 10 D CA 0.425 54.446 54.000 0.034 0.000 0.894 10 D CB 0.319 41.153 40.800 0.057 0.000 0.909 10 D HN 0.341 nan 8.370 nan 0.000 0.520 11 L N 0.587 121.876 121.223 0.109 0.000 2.317 11 L HA 0.240 4.580 4.340 0.000 0.000 0.281 11 L C 0.850 177.722 176.870 0.003 0.000 1.024 11 L CA -0.740 54.113 54.840 0.021 0.000 0.810 11 L CB 1.815 43.813 42.059 -0.101 0.000 1.240 11 L HN -0.146 nan 8.230 nan 0.000 0.427 12 S N 1.942 117.649 115.700 0.011 0.000 2.624 12 S HA 0.306 4.776 4.470 0.000 0.000 0.263 12 S C -1.944 172.643 174.600 -0.022 0.000 1.287 12 S CA -1.017 57.187 58.200 0.008 0.000 0.990 12 S CB 0.851 64.073 63.200 0.036 0.000 0.950 12 S HN 0.409 nan 8.310 nan 0.000 0.561 13 P HA -0.079 nan 4.420 nan 0.000 0.215 13 P C 1.581 178.863 177.300 -0.031 0.000 1.157 13 P CA 2.091 65.174 63.100 -0.029 0.000 0.874 13 P CB -0.323 31.365 31.700 -0.020 0.000 0.790 14 A N -0.358 122.458 122.820 -0.007 0.000 1.969 14 A HA -0.217 4.103 4.320 0.000 0.000 0.218 14 A C 2.113 179.694 177.584 -0.005 0.000 1.169 14 A CA 1.615 53.655 52.037 0.005 0.000 0.635 14 A CB -1.092 17.928 19.000 0.033 0.000 0.810 14 A HN 0.200 nan 8.150 nan 0.000 0.445 15 E N -0.825 119.363 120.200 -0.020 0.000 2.072 15 E HA -0.204 4.146 4.350 0.000 0.000 0.190 15 E C 2.242 178.627 176.600 -0.358 0.000 0.982 15 E CA 1.037 57.371 56.400 -0.111 0.000 0.803 15 E CB -0.194 29.462 29.700 -0.074 0.000 0.755 15 E HN 0.763 nan 8.360 nan 0.000 0.453 16 Q N 0.664 120.305 119.800 -0.266 0.000 2.112 16 Q HA -0.226 4.114 4.340 0.000 0.000 0.206 16 Q C 2.156 178.034 176.000 -0.204 0.000 0.987 16 Q CA 1.584 57.232 55.803 -0.258 0.000 0.858 16 Q CB -0.142 28.512 28.738 -0.140 0.000 0.905 16 Q HN 0.253 nan 8.270 nan 0.000 0.420 17 A N 0.668 123.411 122.820 -0.128 0.000 1.933 17 A HA -0.231 4.089 4.320 0.000 0.000 0.218 17 A C 1.752 179.286 177.584 -0.084 0.000 1.175 17 A CA 1.681 53.668 52.037 -0.083 0.000 0.628 17 A CB -0.476 18.498 19.000 -0.044 0.000 0.814 17 A HN 0.535 nan 8.150 nan 0.000 0.444 18 E N -0.463 119.680 120.200 -0.095 0.000 2.047 18 E HA -0.118 4.233 4.350 0.000 0.000 0.191 18 E C 2.006 178.538 176.600 -0.114 0.000 0.987 18 E CA 1.270 57.646 56.400 -0.041 0.000 0.799 18 E CB -0.270 29.492 29.700 0.104 0.000 0.752 18 E HN 0.392 nan 8.360 nan 0.000 0.449 19 V N 1.560 121.276 119.914 -0.331 0.000 2.295 19 V HA -0.268 3.853 4.120 0.000 0.000 0.246 19 V C 2.316 178.310 176.094 -0.166 0.000 1.049 19 V CA 1.571 63.675 62.300 -0.327 0.000 1.024 19 V CB -0.459 31.030 31.823 -0.556 0.000 0.648 19 V HN 0.265 nan 8.190 nan 0.000 0.447 20 L N -0.208 120.927 121.223 -0.145 0.000 2.131 20 L HA -0.186 4.154 4.340 0.000 0.000 0.210 20 L C 2.581 179.420 176.870 -0.052 0.000 1.092 20 L CA 1.835 56.624 54.840 -0.084 0.000 0.759 20 L CB -0.585 41.430 42.059 -0.073 0.000 0.903 20 L HN 0.438 nan 8.230 nan 0.000 0.435 21 E N 0.531 120.704 120.200 -0.044 0.000 2.106 21 E HA -0.246 4.104 4.350 0.000 0.000 0.192 21 E C 2.200 178.793 176.600 -0.012 0.000 0.984 21 E CA 0.949 57.337 56.400 -0.021 0.000 0.806 21 E CB 0.070 29.765 29.700 -0.008 0.000 0.750 21 E HN 0.303 nan 8.360 nan 0.000 0.458 22 L N 0.797 122.016 121.223 -0.006 0.000 2.109 22 L HA 0.012 4.353 4.340 0.000 0.000 0.207 22 L C 2.217 179.089 176.870 0.003 0.000 1.086 22 L CA 1.893 56.740 54.840 0.012 0.000 0.760 22 L CB -0.662 41.423 42.059 0.044 0.000 0.910 22 L HN 0.138 nan 8.230 nan 0.000 0.437 23 A N -0.111 122.702 122.820 -0.011 0.000 1.883 23 A HA -0.198 4.122 4.320 0.000 0.000 0.217 23 A C 2.500 180.073 177.584 -0.019 0.000 1.186 23 A CA 2.186 54.224 52.037 0.002 0.000 0.624 23 A CB -1.323 17.672 19.000 -0.009 0.000 0.822 23 A HN 0.574 nan 8.150 nan 0.000 0.444 24 A N -0.282 122.519 122.820 -0.032 0.000 1.873 24 A HA -0.256 4.064 4.320 0.000 0.000 0.218 24 A C 1.942 179.489 177.584 -0.060 0.000 1.193 24 A CA 1.947 53.953 52.037 -0.051 0.000 0.629 24 A CB -0.700 18.279 19.000 -0.035 0.000 0.826 24 A HN 0.669 nan 8.150 nan 0.000 0.447 25 E N -0.442 119.738 120.200 -0.034 0.000 2.077 25 E HA -0.122 4.228 4.350 0.000 0.000 0.193 25 E C 1.946 178.528 176.600 -0.030 0.000 0.989 25 E CA 1.134 57.518 56.400 -0.026 0.000 0.800 25 E CB -0.263 29.434 29.700 -0.005 0.000 0.746 25 E HN 0.637 nan 8.360 nan 0.000 0.452 26 L N 0.830 122.041 121.223 -0.020 0.000 2.217 26 L HA -0.125 4.215 4.340 0.000 0.000 0.211 26 L C 2.530 179.364 176.870 -0.061 0.000 1.107 26 L CA 0.822 55.660 54.840 -0.002 0.000 0.783 26 L CB -0.221 41.867 42.059 0.048 0.000 0.919 26 L HN 0.037 nan 8.230 nan 0.000 0.442 27 K N 0.921 121.189 120.400 -0.219 0.000 2.063 27 K HA -0.262 4.059 4.320 0.000 0.000 0.208 27 K C 2.247 178.691 176.600 -0.259 0.000 1.048 27 K CA 1.665 57.620 56.287 -0.554 0.000 0.928 27 K CB 0.015 32.131 32.500 -0.640 0.000 0.713 27 K HN 0.141 nan 8.250 nan 0.000 0.442 28 K N -0.037 120.275 120.400 -0.145 0.000 2.025 28 K HA -0.110 4.211 4.320 0.000 0.000 0.207 28 K C -0.286 176.287 176.600 -0.044 0.000 1.049 28 K CA 1.544 57.784 56.287 -0.079 0.000 0.933 28 K CB 0.217 32.684 32.500 -0.055 0.000 0.714 28 K HN 0.048 nan 8.250 nan 0.000 0.438 29 D N 1.256 121.638 120.400 -0.029 0.000 2.404 29 D HA 0.134 4.774 4.640 0.000 0.000 0.267 29 D C -2.029 174.279 176.300 0.013 0.000 1.194 29 D CA -1.581 52.416 54.000 -0.004 0.000 0.910 29 D CB 1.835 42.635 40.800 0.000 0.000 1.090 29 D HN 0.172 nan 8.370 nan 0.000 0.511 30 P HA -0.084 nan 4.420 nan 0.000 0.223 30 P C 1.109 178.442 177.300 0.056 0.000 1.151 30 P CA 0.673 63.811 63.100 0.063 0.000 0.787 30 P CB 0.481 32.235 31.700 0.090 0.000 0.788 31 V N -3.448 116.491 119.914 0.041 0.000 3.276 31 V HA 0.239 4.359 4.120 0.000 0.000 0.319 31 V C 1.925 178.038 176.094 0.030 0.000 1.427 31 V CA 0.568 62.890 62.300 0.037 0.000 1.102 31 V CB -0.628 31.215 31.823 0.035 0.000 1.020 31 V HN 0.081 nan 8.190 nan 0.000 0.456 32 S N -0.066 115.650 115.700 0.027 0.000 2.496 32 S HA 0.218 4.688 4.470 0.000 0.000 0.224 32 S C 0.958 175.572 174.600 0.024 0.000 0.996 32 S CA -0.120 58.093 58.200 0.022 0.000 0.927 32 S CB -0.102 63.109 63.200 0.017 0.000 0.774 32 S HN 0.525 nan 8.310 nan 0.000 0.524 33 R N 1.969 122.487 120.500 0.029 0.000 2.255 33 R HA 0.429 4.770 4.340 0.000 0.000 0.326 33 R C -0.341 175.979 176.300 0.033 0.000 0.986 33 R CA -0.158 55.960 56.100 0.030 0.000 0.847 33 R CB 0.665 30.986 30.300 0.036 0.000 1.111 33 R HN 0.329 nan 8.270 nan 0.000 0.452 34 R N 3.323 123.840 120.500 0.029 0.000 2.886 34 R HA 0.197 4.538 4.340 0.000 0.000 0.306 34 R C -1.826 174.492 176.300 0.030 0.000 1.300 34 R CA -1.349 54.770 56.100 0.032 0.000 1.441 34 R CB 1.329 31.646 30.300 0.029 0.000 1.328 34 R HN 0.386 nan 8.270 nan 0.000 0.629 35 P HA -0.042 nan 4.420 nan 0.000 0.237 35 P C 0.661 177.979 177.300 0.031 0.000 1.178 35 P CA 0.718 63.834 63.100 0.026 0.000 0.766 35 P CB 0.411 32.127 31.700 0.027 0.000 0.876 36 L N -0.190 121.057 121.223 0.040 0.000 2.910 36 L HA 0.168 4.508 4.340 0.000 0.000 0.252 36 L C 1.415 178.313 176.870 0.046 0.000 1.195 36 L CA -0.454 54.414 54.840 0.046 0.000 1.003 36 L CB -0.201 41.894 42.059 0.059 0.000 1.328 36 L HN 0.030 nan 8.230 nan 0.000 0.540 37 Q N -0.053 119.769 119.800 0.037 0.000 2.474 37 Q HA 0.354 4.695 4.340 0.000 0.000 0.256 37 Q C 0.590 176.609 176.000 0.031 0.000 1.048 37 Q CA 0.888 56.712 55.803 0.035 0.000 0.922 37 Q CB 1.296 30.051 28.738 0.028 0.000 1.288 37 Q HN 0.193 nan 8.270 nan 0.000 0.484 38 G N 1.478 110.295 108.800 0.029 0.000 3.826 38 G HA2 -0.094 3.866 3.960 0.000 0.000 0.194 38 G HA3 -0.094 3.866 3.960 0.000 0.000 0.194 38 G C -2.159 172.754 174.900 0.021 0.000 2.087 38 G CA -0.108 45.006 45.100 0.024 0.000 1.230 38 G HN 0.764 nan 8.290 nan 0.000 0.393 39 P HA 0.629 nan 4.420 nan 0.000 0.279 39 P C -0.477 176.854 177.300 0.050 0.000 1.239 39 P CA -0.332 62.800 63.100 0.053 0.000 0.789 39 P CB 0.952 32.705 31.700 0.089 0.000 0.933 40 R N 0.753 121.288 120.500 0.059 0.000 2.560 40 R HA 0.569 4.909 4.340 0.000 0.000 0.270 40 R C 0.745 177.097 176.300 0.086 0.000 1.074 40 R CA -0.362 55.775 56.100 0.061 0.000 1.140 40 R CB 0.360 30.692 30.300 0.053 0.000 1.073 40 R HN 0.692 nan 8.270 nan 0.000 0.527 41 G N -0.330 108.522 108.800 0.088 0.000 2.462 41 G HA2 0.518 4.479 3.960 0.000 0.000 0.319 41 G HA3 0.518 4.479 3.960 0.000 0.000 0.319 41 G C -1.029 173.922 174.900 0.086 0.000 1.171 41 G CA -0.456 44.709 45.100 0.108 0.000 0.920 41 G HN 0.262 nan 8.290 nan 0.000 0.499 42 V N 0.107 120.066 119.914 0.075 0.000 2.760 42 V HA 0.668 4.788 4.120 0.000 0.000 0.309 42 V C 0.257 176.358 176.094 0.012 0.000 1.077 42 V CA -0.907 61.418 62.300 0.042 0.000 0.910 42 V CB 1.631 33.480 31.823 0.043 0.000 1.008 42 V HN 1.150 nan 8.190 nan 0.000 0.424 43 A N 4.022 126.831 122.820 -0.018 0.000 2.328 43 A HA 0.765 5.085 4.320 0.000 0.000 0.284 43 A C -0.528 176.979 177.584 -0.129 0.000 1.160 43 A CA -0.345 51.656 52.037 -0.060 0.000 0.818 43 A CB 0.764 19.719 19.000 -0.075 0.000 1.087 43 A HN 0.867 nan 8.150 nan 0.000 0.504 44 V N 4.367 124.193 119.914 -0.145 0.000 2.349 44 V HA 0.398 4.518 4.120 0.000 0.000 0.284 44 V C -0.452 175.456 176.094 -0.310 0.000 1.014 44 V CA -0.048 62.092 62.300 -0.267 0.000 0.826 44 V CB 0.630 32.344 31.823 -0.182 0.000 1.009 44 V HN 0.716 nan 8.190 nan 0.000 0.431 45 I N 4.816 125.142 120.570 -0.405 0.000 2.406 45 I HA 0.540 4.710 4.170 0.000 0.000 0.290 45 I C -1.063 174.895 176.117 -0.265 0.000 0.999 45 I CA -0.340 60.806 61.300 -0.258 0.000 1.124 45 I CB 1.945 39.740 38.000 -0.341 0.000 1.289 45 I HN 0.369 nan 8.210 nan 0.000 0.441 46 F N 4.051 124.098 119.950 0.163 0.000 2.402 46 F HA 0.324 4.851 4.527 0.000 0.000 0.355 46 F C 0.837 176.758 175.800 0.202 0.000 1.123 46 F CA -0.537 57.563 58.000 0.167 0.000 1.021 46 F CB 1.210 40.266 39.000 0.093 0.000 1.160 46 F HN 0.433 nan 8.300 nan 0.000 0.451 47 D N 1.692 122.311 120.400 0.365 0.000 2.354 47 D HA 0.069 4.709 4.640 0.000 0.000 0.209 47 D C 0.410 176.855 176.300 0.242 0.000 1.015 47 D CA 0.787 54.989 54.000 0.337 0.000 0.867 47 D CB 0.400 41.444 40.800 0.405 0.000 0.933 47 D HN 0.424 nan 8.370 nan 0.000 0.520 48 K N 0.082 120.570 120.400 0.147 0.000 2.346 48 K HA 0.320 4.641 4.320 0.000 0.000 0.238 48 K C -0.043 176.600 176.600 0.072 0.000 1.039 48 K CA -0.816 55.497 56.287 0.043 0.000 0.861 48 K CB 1.802 34.212 32.500 -0.151 0.000 1.278 48 K HN -0.191 nan 8.250 nan 0.000 0.460 49 N N 0.836 119.546 118.700 0.017 0.000 2.441 49 N HA 0.024 4.764 4.740 0.000 0.000 0.251 49 N C -0.667 174.800 175.510 -0.070 0.000 1.242 49 N CA 0.603 53.635 53.050 -0.030 0.000 0.898 49 N CB 1.130 39.613 38.487 -0.007 0.000 1.100 49 N HN 0.401 nan 8.380 nan 0.000 0.443 50 S N -0.205 115.395 115.700 -0.168 0.000 2.547 50 S HA 0.404 4.874 4.470 0.000 0.000 0.270 50 S C -0.062 174.497 174.600 -0.068 0.000 1.150 50 S CA -0.593 57.531 58.200 -0.126 0.000 0.850 50 S CB 1.641 64.724 63.200 -0.195 0.000 1.118 50 S HN 0.480 nan 8.310 nan 0.000 0.461 51 T N 2.881 117.464 114.554 0.048 0.000 3.138 51 T HA 0.239 4.589 4.350 0.000 0.000 0.245 51 T C 1.726 176.564 174.700 0.229 0.000 0.982 51 T CA 0.086 62.272 62.100 0.143 0.000 1.134 51 T CB -0.210 68.681 68.868 0.040 0.000 1.032 51 T HN 0.539 nan 8.240 nan 0.000 0.442 52 R N 1.083 121.676 120.500 0.155 0.000 2.066 52 R HA 0.017 4.357 4.340 0.000 0.000 0.232 52 R C 2.615 179.057 176.300 0.236 0.000 1.131 52 R CA 1.786 57.984 56.100 0.164 0.000 0.955 52 R CB -0.577 29.796 30.300 0.122 0.000 0.851 52 R HN 0.255 nan 8.270 nan 0.000 0.432 53 T N 0.669 115.396 114.554 0.288 0.000 2.674 53 T HA -0.194 4.157 4.350 0.000 0.000 0.265 53 T C 1.704 176.728 174.700 0.540 0.000 1.039 53 T CA 1.660 64.032 62.100 0.453 0.000 1.150 53 T CB -0.262 68.946 68.868 0.566 0.000 0.864 53 T HN 0.150 nan 8.240 nan 0.000 0.427 54 R N 0.958 121.683 120.500 0.376 0.000 2.115 54 R HA -0.111 4.230 4.340 0.000 0.000 0.239 54 R C 1.968 178.373 176.300 0.174 0.000 1.133 54 R CA 1.874 58.114 56.100 0.233 0.000 0.935 54 R CB -1.213 28.987 30.300 -0.167 0.000 0.853 54 R HN 0.395 nan 8.270 nan 0.000 0.433 55 F N 0.611 120.622 119.950 0.101 0.000 2.146 55 F HA -0.121 4.406 4.527 0.000 0.000 0.298 55 F C 2.741 178.576 175.800 0.059 0.000 1.096 55 F CA 1.797 59.835 58.000 0.064 0.000 1.275 55 F CB -0.665 38.349 39.000 0.024 0.000 1.008 55 F HN 0.274 nan 8.300 nan 0.000 0.480 56 S N -0.365 115.463 115.700 0.213 0.000 2.368 56 S HA -0.189 4.281 4.470 0.000 0.000 0.224 56 S C 2.004 176.597 174.600 -0.012 0.000 1.029 56 S CA 0.944 59.165 58.200 0.035 0.000 0.988 56 S CB -1.241 61.915 63.200 -0.074 0.000 0.838 56 S HN 0.192 nan 8.310 nan 0.000 0.462 57 F N 2.335 122.353 119.950 0.113 0.000 2.113 57 F HA 0.081 4.608 4.527 0.000 0.000 0.297 57 F C 2.785 178.611 175.800 0.044 0.000 1.103 57 F CA 1.402 59.454 58.000 0.086 0.000 1.248 57 F CB -0.675 38.394 39.000 0.114 0.000 0.999 57 F HN 0.325 nan 8.300 nan 0.000 0.475 58 E N 0.373 120.704 120.200 0.219 0.000 2.058 58 E HA -0.222 4.128 4.350 0.000 0.000 0.194 58 E C 2.186 178.802 176.600 0.027 0.000 0.997 58 E CA 1.445 57.886 56.400 0.068 0.000 0.801 58 E CB -0.295 29.383 29.700 -0.036 0.000 0.746 58 E HN 0.396 nan 8.360 nan 0.000 0.450 59 L N -0.146 121.099 121.223 0.036 0.000 2.131 59 L HA 0.016 4.357 4.340 0.000 0.000 0.206 59 L C 2.578 179.467 176.870 0.032 0.000 1.087 59 L CA 0.944 55.802 54.840 0.030 0.000 0.767 59 L CB -0.396 41.694 42.059 0.051 0.000 0.917 59 L HN 0.299 nan 8.230 nan 0.000 0.441 60 G N 0.168 108.986 108.800 0.029 0.000 2.422 60 G HA2 -0.228 3.733 3.960 0.000 0.000 0.218 60 G HA3 -0.228 3.733 3.960 0.000 0.000 0.218 60 G C 1.582 176.517 174.900 0.058 0.000 1.146 60 G CA 0.695 45.807 45.100 0.019 0.000 0.769 60 G HN 0.276 nan 8.290 nan 0.000 0.547 61 I N 1.203 121.825 120.570 0.088 0.000 2.252 61 I HA -0.092 4.078 4.170 0.000 0.000 0.245 61 I C 3.232 179.383 176.117 0.056 0.000 1.102 61 I CA 0.895 62.248 61.300 0.088 0.000 1.385 61 I CB -0.114 37.946 38.000 0.100 0.000 1.064 61 I HN 0.225 nan 8.210 nan 0.000 0.414 62 A N -0.025 122.814 122.820 0.032 0.000 1.972 62 A HA -0.246 4.075 4.320 0.000 0.000 0.219 62 A C 2.192 179.801 177.584 0.042 0.000 1.169 62 A CA 1.520 53.575 52.037 0.029 0.000 0.635 62 A CB -0.510 18.495 19.000 0.008 0.000 0.810 62 A HN 0.500 nan 8.150 nan 0.000 0.446 63 Q N -0.812 119.014 119.800 0.043 0.000 2.389 63 Q HA 0.198 4.538 4.340 0.000 0.000 0.204 63 Q C 1.251 177.279 176.000 0.048 0.000 0.944 63 Q CA 0.330 56.160 55.803 0.045 0.000 0.908 63 Q CB -0.035 28.731 28.738 0.046 0.000 1.002 63 Q HN 0.633 nan 8.270 nan 0.000 0.493 64 L N -0.806 120.448 121.223 0.052 0.000 2.612 64 L HA 0.156 4.496 4.340 0.000 0.000 0.230 64 L C 1.090 177.991 176.870 0.051 0.000 1.140 64 L CA 0.454 55.326 54.840 0.053 0.000 0.896 64 L CB 0.066 42.162 42.059 0.062 0.000 1.065 64 L HN 0.424 nan 8.230 nan 0.000 0.447 65 G N -0.668 108.163 108.800 0.051 0.000 2.213 65 G HA2 -0.226 3.734 3.960 0.000 0.000 0.236 65 G HA3 -0.226 3.734 3.960 0.000 0.000 0.236 65 G C 0.589 175.527 174.900 0.064 0.000 0.991 65 G CA -0.176 44.954 45.100 0.051 0.000 0.629 65 G HN 0.496 nan 8.290 nan 0.000 0.517 66 G N -1.017 107.826 108.800 0.072 0.000 2.543 66 G HA2 0.594 4.555 3.960 0.000 0.000 0.267 66 G HA3 0.594 4.555 3.960 0.000 0.000 0.267 66 G C -0.556 174.423 174.900 0.132 0.000 1.406 66 G CA 0.114 45.271 45.100 0.094 0.000 1.048 66 G HN 1.086 nan 8.290 nan 0.000 0.548 67 H N -1.529 117.560 119.070 0.033 0.000 2.934 67 H HA 0.590 5.146 4.556 0.001 0.000 0.340 67 H C -0.295 175.049 175.328 0.027 0.000 1.008 67 H CA -0.321 55.743 56.048 0.026 0.000 1.317 67 H CB 1.330 31.100 29.762 0.014 0.000 1.670 67 H HN 0.649 nan 8.280 nan 0.000 0.516 68 A N 4.343 126.987 122.820 -0.293 0.000 2.328 68 A HA 0.494 4.814 4.320 0.000 0.000 0.284 68 A C -0.644 176.857 177.584 -0.137 0.000 1.160 68 A CA -0.581 51.373 52.037 -0.139 0.000 0.818 68 A CB 0.482 19.425 19.000 -0.095 0.000 1.087 68 A HN 0.493 nan 8.150 nan 0.000 0.504 69 V N 4.421 124.348 119.914 0.021 0.000 2.318 69 V HA 0.282 4.403 4.120 0.000 0.000 0.271 69 V C -0.147 175.950 176.094 0.005 0.000 1.030 69 V CA -0.373 61.957 62.300 0.049 0.000 0.844 69 V CB 0.912 32.770 31.823 0.057 0.000 1.015 69 V HN 0.598 nan 8.190 nan 0.000 0.460 70 V N 6.392 126.316 119.914 0.017 0.000 2.394 70 V HA 0.715 4.835 4.120 0.000 0.000 0.282 70 V C -0.084 176.057 176.094 0.078 0.000 1.031 70 V CA -0.445 61.891 62.300 0.060 0.000 0.881 70 V CB 1.662 33.542 31.823 0.095 0.000 0.982 70 V HN 0.728 nan 8.190 nan 0.000 0.451 71 V N 0.772 120.745 119.914 0.099 0.000 3.087 71 V HA 0.630 4.750 4.120 0.000 0.000 0.306 71 V C -0.908 175.282 176.094 0.159 0.000 1.187 71 V CA -1.022 61.333 62.300 0.090 0.000 0.999 71 V CB 2.126 33.962 31.823 0.023 0.000 1.049 71 V HN 0.755 nan 8.190 nan 0.000 0.431 72 D N 2.278 122.768 120.400 0.150 0.000 2.343 72 D HA 0.290 4.930 4.640 0.000 0.000 0.255 72 D C 1.434 177.806 176.300 0.119 0.000 1.187 72 D CA 0.637 54.739 54.000 0.171 0.000 0.875 72 D CB 1.940 42.820 40.800 0.133 0.000 1.136 72 D HN 0.842 nan 8.370 nan 0.000 0.469 73 S N 2.220 118.004 115.700 0.140 0.000 2.419 73 S HA -0.139 4.331 4.470 0.000 0.000 0.235 73 S C 2.083 176.733 174.600 0.084 0.000 1.019 73 S CA 0.725 58.980 58.200 0.092 0.000 0.982 73 S CB -0.641 62.659 63.200 0.166 0.000 0.789 73 S HN 0.591 nan 8.310 nan 0.000 0.490 74 G N 1.425 110.288 108.800 0.106 0.000 2.509 74 G HA2 -0.047 3.913 3.960 0.000 0.000 0.218 74 G HA3 -0.047 3.913 3.960 0.000 0.000 0.218 74 G C 1.401 176.334 174.900 0.055 0.000 1.124 74 G CA 0.820 45.969 45.100 0.082 0.000 0.776 74 G HN 0.794 nan 8.290 nan 0.000 0.547 75 S N -0.319 115.411 115.700 0.050 0.000 2.539 75 S HA 0.191 4.661 4.470 0.000 0.000 0.221 75 S C 1.075 175.686 174.600 0.019 0.000 0.987 75 S CA 0.445 58.665 58.200 0.033 0.000 0.929 75 S CB -0.031 63.189 63.200 0.033 0.000 0.832 75 S HN 0.401 nan 8.310 nan 0.000 0.492 76 T N -0.781 113.782 114.554 0.015 0.000 2.849 76 T HA 0.345 4.696 4.350 0.000 0.000 0.276 76 T C 0.826 175.526 174.700 0.001 0.000 0.971 76 T CA -0.631 61.467 62.100 -0.003 0.000 0.949 76 T CB 0.653 69.505 68.868 -0.026 0.000 1.093 76 T HN -0.014 nan 8.240 nan 0.000 0.545 77 Q N -0.113 119.683 119.800 -0.006 0.000 2.488 77 Q HA 0.131 4.471 4.340 0.000 0.000 0.211 77 Q C 2.138 178.138 176.000 -0.001 0.000 0.967 77 Q CA 0.382 56.185 55.803 -0.001 0.000 0.926 77 Q CB -0.588 28.150 28.738 -0.001 0.000 0.992 77 Q HN 0.677 nan 8.270 nan 0.000 0.506 78 L N -0.355 120.863 121.223 -0.009 0.000 2.189 78 L HA -0.159 4.181 4.340 0.000 0.000 0.214 78 L C 2.040 178.928 176.870 0.030 0.000 1.097 78 L CA 1.282 56.124 54.840 0.005 0.000 0.764 78 L CB -0.582 41.474 42.059 -0.006 0.000 0.900 78 L HN 0.250 nan 8.230 nan 0.000 0.436 79 G N -0.735 108.082 108.800 0.029 0.000 2.744 79 G HA2 -0.089 3.872 3.960 0.000 0.000 0.211 79 G HA3 -0.089 3.872 3.960 0.000 0.000 0.211 79 G C 1.363 176.278 174.900 0.024 0.000 1.143 79 G CA -0.132 44.988 45.100 0.034 0.000 0.788 79 G HN 0.320 nan 8.290 nan 0.000 0.534 80 R N 0.199 120.709 120.500 0.018 0.000 2.662 80 R HA 0.178 4.519 4.340 0.000 0.000 0.396 80 R C -0.149 176.158 176.300 0.012 0.000 1.096 80 R CA -0.166 55.942 56.100 0.014 0.000 1.081 80 R CB 0.556 30.862 30.300 0.010 0.000 1.382 80 R HN 0.016 nan 8.270 nan 0.000 0.580 81 D N 0.809 121.219 120.400 0.016 0.000 3.041 81 D HA -0.199 4.442 4.640 0.000 0.000 0.220 81 D C -0.058 176.250 176.300 0.012 0.000 1.157 81 D CA 1.090 55.100 54.000 0.017 0.000 0.876 81 D CB -0.874 39.934 40.800 0.014 0.000 1.107 81 D HN 0.508 nan 8.370 nan 0.000 0.422 82 E N 1.124 121.328 120.200 0.007 0.000 2.481 82 E HA 0.128 4.479 4.350 0.000 0.000 0.263 82 E C 0.693 177.294 176.600 0.002 0.000 0.992 82 E CA 0.516 56.917 56.400 0.000 0.000 0.938 82 E CB 0.639 30.335 29.700 -0.007 0.000 0.933 82 E HN 0.286 nan 8.360 nan 0.000 0.453 83 T N 1.481 116.035 114.554 0.001 0.000 2.828 83 T HA 0.125 4.476 4.350 0.000 0.000 0.290 83 T C 1.454 176.152 174.700 -0.003 0.000 1.019 83 T CA -0.590 61.515 62.100 0.008 0.000 1.031 83 T CB 0.623 69.496 68.868 0.009 0.000 1.001 83 T HN 0.549 nan 8.240 nan 0.000 0.531 84 L N 0.487 121.720 121.223 0.017 0.000 2.156 84 L HA -0.070 4.270 4.340 0.000 0.000 0.208 84 L C 3.027 179.887 176.870 -0.017 0.000 1.095 84 L CA 1.017 55.860 54.840 0.005 0.000 0.770 84 L CB -0.622 41.495 42.059 0.098 0.000 0.914 84 L HN 0.669 nan 8.230 nan 0.000 0.439 85 Q N 0.067 119.868 119.800 0.001 0.000 2.046 85 Q HA -0.179 4.162 4.340 0.000 0.000 0.200 85 Q C 1.859 177.846 176.000 -0.022 0.000 0.975 85 Q CA 1.467 57.266 55.803 -0.007 0.000 0.836 85 Q CB -0.251 28.488 28.738 0.002 0.000 0.896 85 Q HN 0.330 nan 8.270 nan 0.000 0.428 86 D N -0.392 119.996 120.400 -0.020 0.000 2.123 86 D HA -0.126 4.514 4.640 0.000 0.000 0.196 86 D C 1.765 178.040 176.300 -0.040 0.000 0.992 86 D CA 1.569 55.553 54.000 -0.026 0.000 0.833 86 D CB -0.373 40.416 40.800 -0.018 0.000 0.954 86 D HN 0.214 nan 8.370 nan 0.000 0.455 87 T N 0.494 115.017 114.554 -0.053 0.000 2.720 87 T HA -0.140 4.210 4.350 0.000 0.000 0.268 87 T C 1.968 176.614 174.700 -0.089 0.000 1.037 87 T CA 1.610 63.662 62.100 -0.079 0.000 1.144 87 T CB -0.289 68.503 68.868 -0.126 0.000 0.864 87 T HN 0.210 nan 8.240 nan 0.000 0.444 88 A N 1.595 124.362 122.820 -0.089 0.000 1.902 88 A HA -0.107 4.213 4.320 0.000 0.000 0.217 88 A C 2.254 179.804 177.584 -0.057 0.000 1.181 88 A CA 1.546 53.538 52.037 -0.075 0.000 0.623 88 A CB -0.409 18.560 19.000 -0.052 0.000 0.818 88 A HN 0.457 nan 8.150 nan 0.000 0.443 89 K N -0.531 119.838 120.400 -0.052 0.000 2.032 89 K HA -0.086 4.234 4.320 0.000 0.000 0.209 89 K C 1.883 178.427 176.600 -0.093 0.000 1.048 89 K CA 1.459 57.712 56.287 -0.058 0.000 0.927 89 K CB -0.430 32.043 32.500 -0.046 0.000 0.712 89 K HN 0.274 nan 8.250 nan 0.000 0.441 90 V N 1.865 121.722 119.914 -0.095 0.000 2.343 90 V HA -0.222 3.898 4.120 0.000 0.000 0.247 90 V C 2.170 178.145 176.094 -0.198 0.000 1.051 90 V CA 1.554 63.765 62.300 -0.148 0.000 1.036 90 V CB -0.329 31.459 31.823 -0.057 0.000 0.654 90 V HN 0.283 nan 8.190 nan 0.000 0.451 91 L N -0.176 121.004 121.223 -0.072 0.000 2.093 91 L HA -0.123 4.217 4.340 0.000 0.000 0.208 91 L C 2.429 179.270 176.870 -0.048 0.000 1.085 91 L CA 1.466 56.305 54.840 -0.001 0.000 0.755 91 L CB -0.605 41.448 42.059 -0.011 0.000 0.904 91 L HN 0.314 nan 8.230 nan 0.000 0.435 92 S N -0.412 115.243 115.700 -0.075 0.000 2.537 92 S HA -0.069 4.401 4.470 0.000 0.000 0.240 92 S C 1.782 176.318 174.600 -0.108 0.000 0.981 92 S CA 0.704 58.868 58.200 -0.060 0.000 0.948 92 S CB -0.220 62.956 63.200 -0.041 0.000 0.759 92 S HN 0.337 nan 8.310 nan 0.000 0.531 93 R N -0.302 120.056 120.500 -0.237 0.000 2.280 93 R HA 0.212 4.552 4.340 0.000 0.000 0.195 93 R C 0.615 176.732 176.300 -0.304 0.000 0.935 93 R CA 0.580 56.480 56.100 -0.334 0.000 1.033 93 R CB -0.294 29.703 30.300 -0.505 0.000 0.964 93 R HN 0.498 nan 8.270 nan 0.000 0.489 94 Y N -0.876 119.417 120.300 -0.013 0.000 2.607 94 Y HA 0.165 4.716 4.550 0.001 0.000 0.276 94 Y C 1.085 176.983 175.900 -0.003 0.000 1.117 94 Y CA -0.722 57.372 58.100 -0.010 0.000 1.273 94 Y CB 0.319 38.770 38.460 -0.015 0.000 1.282 94 Y HN -0.252 nan 8.280 nan 0.000 0.514 95 V N -2.675 117.322 119.914 0.138 0.000 3.001 95 V HA 0.544 4.665 4.120 0.000 0.000 0.314 95 V C -0.422 175.704 176.094 0.055 0.000 1.099 95 V CA -0.802 61.553 62.300 0.092 0.000 0.989 95 V CB 2.238 34.109 31.823 0.081 0.000 1.040 95 V HN -0.107 nan 8.190 nan 0.000 0.434 96 D N 1.417 121.848 120.400 0.051 0.000 2.339 96 D HA 0.613 5.254 4.640 0.000 0.000 0.217 96 D C 0.471 176.798 176.300 0.045 0.000 1.050 96 D CA 1.434 55.459 54.000 0.041 0.000 0.856 96 D CB 0.898 41.722 40.800 0.040 0.000 0.922 96 D HN 1.116 nan 8.370 nan 0.000 0.518 97 A N -0.062 122.786 122.820 0.047 0.000 2.599 97 A HA 0.616 4.936 4.320 0.000 0.000 0.294 97 A C -1.627 175.975 177.584 0.029 0.000 1.055 97 A CA -0.663 51.407 52.037 0.055 0.000 0.683 97 A CB 0.881 19.923 19.000 0.070 0.000 1.278 97 A HN 0.020 nan 8.150 nan 0.000 0.412 98 I N 1.510 122.100 120.570 0.032 0.000 2.418 98 I HA 0.460 4.630 4.170 0.000 0.000 0.287 98 I C -0.793 175.304 176.117 -0.032 0.000 1.008 98 I CA -0.926 60.363 61.300 -0.020 0.000 1.104 98 I CB 1.941 39.925 38.000 -0.025 0.000 1.264 98 I HN 0.325 nan 8.210 nan 0.000 0.438 99 V N 5.871 125.703 119.914 -0.136 0.000 2.370 99 V HA 0.378 4.498 4.120 0.000 0.000 0.283 99 V C -1.065 174.928 176.094 -0.168 0.000 1.023 99 V CA -0.422 61.726 62.300 -0.254 0.000 0.857 99 V CB 1.525 32.964 31.823 -0.641 0.000 0.985 99 V HN 0.626 nan 8.190 nan 0.000 0.443 100 W N 6.173 127.296 121.300 -0.295 0.000 2.957 100 W HA 0.650 5.310 4.660 0.001 0.000 0.336 100 W C -0.546 175.832 176.519 -0.235 0.000 1.087 100 W CA -1.624 55.558 57.345 -0.271 0.000 1.235 100 W CB 1.757 31.126 29.460 -0.152 0.000 1.399 100 W HN 0.516 nan 8.180 nan 0.000 0.480 101 R N 4.020 124.463 120.500 -0.095 0.000 2.229 101 R HA 0.629 4.969 4.340 0.000 0.000 0.332 101 R C -0.427 175.644 176.300 -0.382 0.000 0.989 101 R CA 0.363 56.345 56.100 -0.197 0.000 0.842 101 R CB 1.314 31.616 30.300 0.002 0.000 1.119 101 R HN 0.510 nan 8.270 nan 0.000 0.456 102 T N 2.258 116.473 114.554 -0.565 0.000 2.618 102 T HA 0.438 4.788 4.350 0.000 0.000 0.293 102 T C -0.370 173.973 174.700 -0.594 0.000 1.093 102 T CA -0.557 61.135 62.100 -0.681 0.000 1.061 102 T CB 0.338 68.381 68.868 -1.375 0.000 1.498 102 T HN 0.275 nan 8.240 nan 0.000 0.494 103 F N 0.943 120.714 119.950 -0.299 0.000 2.435 103 F HA 0.536 5.063 4.527 0.000 0.000 0.233 103 F C 1.971 177.659 175.800 -0.186 0.000 1.206 103 F CA 0.383 58.275 58.000 -0.180 0.000 0.972 103 F CB -0.811 38.122 39.000 -0.112 0.000 1.024 103 F HN 0.655 nan 8.300 nan 0.000 0.623 104 G N 0.064 108.914 108.800 0.083 0.000 2.414 104 G HA2 0.044 4.004 3.960 0.000 0.000 0.236 104 G HA3 0.044 4.004 3.960 0.000 0.000 0.236 104 G C 0.416 175.271 174.900 -0.075 0.000 1.293 104 G CA -0.223 44.873 45.100 -0.006 0.000 0.869 104 G HN 0.394 nan 8.290 nan 0.000 0.556 105 Q N 0.688 120.457 119.800 -0.052 0.000 2.135 105 Q HA -0.189 4.151 4.340 0.000 0.000 0.204 105 Q C 2.569 178.553 176.000 -0.028 0.000 0.981 105 Q CA 2.235 58.021 55.803 -0.027 0.000 0.856 105 Q CB -0.090 28.678 28.738 0.050 0.000 0.902 105 Q HN 0.842 nan 8.270 nan 0.000 0.425 106 E N 0.298 120.489 120.200 -0.016 0.000 2.171 106 E HA -0.275 4.075 4.350 0.000 0.000 0.197 106 E C 1.668 178.274 176.600 0.010 0.000 0.997 106 E CA 1.532 57.932 56.400 0.000 0.000 0.810 106 E CB -0.366 29.337 29.700 0.005 0.000 0.738 106 E HN 0.463 nan 8.360 nan 0.000 0.467 107 R N 0.203 120.691 120.500 -0.021 0.000 2.092 107 R HA 0.075 4.415 4.340 0.000 0.000 0.231 107 R C 2.726 179.091 176.300 0.107 0.000 1.119 107 R CA 1.200 57.316 56.100 0.027 0.000 0.970 107 R CB -0.303 29.917 30.300 -0.134 0.000 0.864 107 R HN 0.185 nan 8.270 nan 0.000 0.440 108 L N 0.446 121.647 121.223 -0.035 0.000 2.156 108 L HA -0.129 4.212 4.340 0.000 0.000 0.208 108 L C 1.539 178.434 176.870 0.041 0.000 1.095 108 L CA 0.970 55.842 54.840 0.054 0.000 0.770 108 L CB -0.217 41.819 42.059 -0.039 0.000 0.914 108 L HN 0.095 nan 8.230 nan 0.000 0.439 109 D N 0.191 120.598 120.400 0.011 0.000 2.117 109 D HA -0.132 4.508 4.640 0.000 0.000 0.198 109 D C 2.268 178.571 176.300 0.005 0.000 0.982 109 D CA 1.407 55.402 54.000 -0.009 0.000 0.828 109 D CB -0.075 40.724 40.800 -0.001 0.000 0.967 109 D HN 0.277 nan 8.370 nan 0.000 0.464 110 A N 0.970 123.817 122.820 0.046 0.000 1.883 110 A HA -0.201 4.119 4.320 0.000 0.000 0.217 110 A C 2.277 179.890 177.584 0.048 0.000 1.186 110 A CA 1.559 53.628 52.037 0.055 0.000 0.624 110 A CB -0.584 18.468 19.000 0.086 0.000 0.822 110 A HN 0.152 nan 8.150 nan 0.000 0.444 111 M N -0.856 118.798 119.600 0.091 0.000 2.175 111 M HA -0.128 4.352 4.480 0.000 0.000 0.264 111 M C 2.441 178.714 176.300 -0.046 0.000 1.063 111 M CA 1.426 56.751 55.300 0.042 0.000 1.119 111 M CB -0.467 32.190 32.600 0.096 0.000 1.377 111 M HN 0.498 nan 8.290 nan 0.000 0.415 112 A N 0.102 122.843 122.820 -0.132 0.000 2.119 112 A HA -0.083 4.237 4.320 0.000 0.000 0.217 112 A C 2.227 179.695 177.584 -0.194 0.000 1.153 112 A CA 1.644 53.438 52.037 -0.406 0.000 0.692 112 A CB -0.624 17.987 19.000 -0.648 0.000 0.799 112 A HN 0.587 nan 8.150 nan 0.000 0.458 113 S N -0.307 115.351 115.700 -0.070 0.000 2.414 113 S HA -0.055 4.415 4.470 0.000 0.000 0.227 113 S C 1.508 176.116 174.600 0.013 0.000 1.022 113 S CA 1.303 59.497 58.200 -0.010 0.000 0.958 113 S CB -0.571 62.628 63.200 -0.001 0.000 0.797 113 S HN 1.045 nan 8.310 nan 0.000 0.493 114 V N -1.996 117.922 119.914 0.007 0.000 3.645 114 V HA 0.678 4.798 4.120 0.000 0.000 0.275 114 V C 0.851 176.961 176.094 0.025 0.000 1.356 114 V CA -0.239 62.070 62.300 0.015 0.000 1.051 114 V CB -0.698 31.127 31.823 0.003 0.000 0.828 114 V HN 0.574 nan 8.190 nan 0.000 0.441 115 A N 1.668 124.510 122.820 0.038 0.000 2.386 115 A HA 0.514 4.834 4.320 0.000 0.000 0.248 115 A C 1.116 178.757 177.584 0.095 0.000 1.082 115 A CA 0.653 52.726 52.037 0.059 0.000 0.789 115 A CB 0.267 19.318 19.000 0.084 0.000 1.025 115 A HN 0.881 nan 8.150 nan 0.000 0.490 116 T N -1.454 113.135 114.554 0.057 0.000 3.176 116 T HA 0.430 4.780 4.350 0.000 0.000 0.263 116 T C 0.090 174.812 174.700 0.036 0.000 1.021 116 T CA 0.385 62.511 62.100 0.042 0.000 0.905 116 T CB -1.338 67.535 68.868 0.008 0.000 1.057 116 T HN 1.526 nan 8.240 nan 0.000 0.558 117 V N -3.202 116.756 119.914 0.073 0.000 3.078 117 V HA 0.769 4.889 4.120 0.000 0.000 0.311 117 V C -3.348 172.822 176.094 0.126 0.000 1.138 117 V CA -3.381 58.955 62.300 0.060 0.000 1.007 117 V CB 1.747 33.599 31.823 0.048 0.000 1.045 117 V HN -0.174 nan 8.190 nan 0.000 0.432 118 P HA 0.237 nan 4.420 nan 0.000 0.264 118 P C -0.522 176.952 177.300 0.289 0.000 1.193 118 P CA 0.197 63.391 63.100 0.157 0.000 0.763 118 P CB 0.675 32.434 31.700 0.100 0.000 0.810 119 V N 5.714 125.940 119.914 0.519 0.000 2.481 119 V HA 0.377 4.498 4.120 0.000 0.000 0.286 119 V C 0.482 176.737 176.094 0.268 0.000 1.042 119 V CA -0.240 62.219 62.300 0.264 0.000 0.928 119 V CB 1.018 32.890 31.823 0.081 0.000 0.986 119 V HN 0.385 nan 8.190 nan 0.000 0.462 120 I N 3.656 124.339 120.570 0.189 0.000 2.499 120 I HA 0.335 4.505 4.170 0.000 0.000 0.288 120 I C -0.267 175.933 176.117 0.139 0.000 1.048 120 I CA -0.641 60.791 61.300 0.220 0.000 1.062 120 I CB 1.977 40.106 38.000 0.214 0.000 1.238 120 I HN 0.515 nan 8.210 nan 0.000 0.426 121 N N 5.143 123.920 118.700 0.129 0.000 2.406 121 N HA 0.198 4.939 4.740 0.000 0.000 0.265 121 N C 0.340 175.926 175.510 0.128 0.000 1.203 121 N CA 0.058 53.144 53.050 0.060 0.000 0.945 121 N CB 1.352 39.837 38.487 -0.004 0.000 1.165 121 N HN 0.741 nan 8.380 nan 0.000 0.485 122 A N 3.975 126.832 122.820 0.061 0.000 2.415 122 A HA 0.390 4.710 4.320 0.000 0.000 0.248 122 A C 0.261 177.894 177.584 0.082 0.000 1.299 122 A CA -0.265 51.874 52.037 0.169 0.000 0.899 122 A CB -0.617 18.398 19.000 0.026 0.000 0.997 122 A HN 0.777 nan 8.150 nan 0.000 0.506 123 L N -1.249 119.935 121.223 -0.065 0.000 5.660 123 L HA 0.096 4.437 4.340 0.000 0.000 0.233 123 L C -0.735 175.987 176.870 -0.246 0.000 1.136 123 L CA 0.325 54.981 54.840 -0.307 0.000 0.683 123 L CB -0.399 41.317 42.059 -0.572 0.000 1.392 123 L HN 0.477 nan 8.230 nan 0.000 0.147 124 S N 1.489 117.069 115.700 -0.199 0.000 2.697 124 S HA 0.625 5.095 4.470 0.000 0.000 0.289 124 S C 0.252 174.742 174.600 -0.184 0.000 1.149 124 S CA -0.239 57.831 58.200 -0.217 0.000 0.850 124 S CB 1.848 64.962 63.200 -0.144 0.000 1.151 124 S HN 0.673 nan 8.310 nan 0.000 0.491 125 D N 1.310 121.612 120.400 -0.163 0.000 2.172 125 D HA -0.132 4.508 4.640 0.000 0.000 0.196 125 D C 1.697 177.920 176.300 -0.129 0.000 0.999 125 D CA 1.914 55.849 54.000 -0.108 0.000 0.856 125 D CB -0.044 40.736 40.800 -0.033 0.000 0.934 125 D HN 0.787 nan 8.370 nan 0.000 0.453 126 E N -0.888 119.197 120.200 -0.192 0.000 2.364 126 E HA 0.051 4.402 4.350 0.000 0.000 0.196 126 E C 0.184 176.376 176.600 -0.680 0.000 0.990 126 E CA 0.254 56.397 56.400 -0.428 0.000 0.886 126 E CB 0.267 29.579 29.700 -0.645 0.000 0.866 126 E HN 0.227 nan 8.360 nan 0.000 0.493 127 F N -0.292 119.664 119.950 0.009 0.000 2.631 127 F HA 0.392 4.919 4.527 0.000 0.000 0.308 127 F C -0.362 175.459 175.800 0.034 0.000 1.097 127 F CA -1.125 56.882 58.000 0.012 0.000 0.952 127 F CB 1.508 40.476 39.000 -0.054 0.000 1.307 127 F HN -0.119 nan 8.300 nan 0.000 0.450 128 H N 3.057 122.220 119.070 0.154 0.000 2.490 128 H HA 0.379 4.936 4.556 0.000 0.000 0.230 128 H C -2.450 172.932 175.328 0.090 0.000 1.417 128 H CA -2.849 53.252 56.048 0.089 0.000 1.449 128 H CB 1.096 30.891 29.762 0.054 0.000 1.649 128 H HN 0.152 nan 8.280 nan 0.000 0.519 129 P HA -0.010 nan 4.420 nan 0.000 0.227 129 P C 1.188 178.644 177.300 0.259 0.000 1.161 129 P CA 0.429 63.575 63.100 0.077 0.000 0.788 129 P CB 0.348 31.835 31.700 -0.354 0.000 0.822 130 C N -0.665 118.829 119.300 0.323 0.000 2.446 130 C HA -0.016 4.445 4.460 0.000 0.000 0.279 130 C C 2.871 177.870 174.990 0.015 0.000 1.366 130 C CA 0.738 59.918 59.018 0.271 0.000 1.763 130 C CB -1.644 26.313 27.740 0.361 0.000 1.929 130 C HN 0.215 nan 8.230 nan 0.000 0.509 131 Q N 1.204 120.865 119.800 -0.232 0.000 2.046 131 Q HA -0.102 4.239 4.340 0.000 0.000 0.200 131 Q C 2.062 177.971 176.000 -0.152 0.000 0.975 131 Q CA 1.901 57.487 55.803 -0.362 0.000 0.836 131 Q CB -0.435 27.811 28.738 -0.820 0.000 0.896 131 Q HN 0.436 nan 8.270 nan 0.000 0.428 132 V N 0.641 120.502 119.914 -0.089 0.000 2.594 132 V HA -0.215 3.905 4.120 0.000 0.000 0.253 132 V C 2.207 178.299 176.094 -0.004 0.000 1.069 132 V CA 1.355 63.639 62.300 -0.028 0.000 1.082 132 V CB -0.518 31.305 31.823 -0.000 0.000 0.680 132 V HN 0.359 nan 8.190 nan 0.000 0.469 133 L N -0.109 121.124 121.223 0.016 0.000 2.056 133 L HA -0.103 4.237 4.340 0.000 0.000 0.207 133 L C 2.759 179.615 176.870 -0.025 0.000 1.078 133 L CA 1.430 56.266 54.840 -0.006 0.000 0.749 133 L CB -0.782 41.264 42.059 -0.020 0.000 0.901 133 L HN 0.354 nan 8.230 nan 0.000 0.433 134 A N 0.227 123.029 122.820 -0.030 0.000 1.883 134 A HA -0.261 4.059 4.320 0.000 0.000 0.217 134 A C 1.875 179.450 177.584 -0.015 0.000 1.186 134 A CA 2.123 54.145 52.037 -0.025 0.000 0.624 134 A CB -0.650 18.326 19.000 -0.040 0.000 0.822 134 A HN 0.362 nan 8.150 nan 0.000 0.444 135 D N 0.193 120.580 120.400 -0.022 0.000 2.133 135 D HA -0.185 4.455 4.640 0.000 0.000 0.192 135 D C 1.874 178.171 176.300 -0.004 0.000 1.001 135 D CA 1.465 55.458 54.000 -0.011 0.000 0.844 135 D CB -0.479 40.314 40.800 -0.011 0.000 0.944 135 D HN 0.480 nan 8.370 nan 0.000 0.447 136 L N 0.145 121.363 121.223 -0.008 0.000 2.093 136 L HA -0.147 4.193 4.340 0.000 0.000 0.208 136 L C 2.603 179.468 176.870 -0.009 0.000 1.085 136 L CA 0.881 55.715 54.840 -0.009 0.000 0.755 136 L CB -0.407 41.642 42.059 -0.017 0.000 0.904 136 L HN 0.069 nan 8.230 nan 0.000 0.435 137 Q N -0.345 119.449 119.800 -0.010 0.000 2.124 137 Q HA -0.237 4.103 4.340 0.000 0.000 0.202 137 Q C 2.247 178.250 176.000 0.005 0.000 0.977 137 Q CA 2.227 58.027 55.803 -0.004 0.000 0.850 137 Q CB -0.002 28.740 28.738 0.006 0.000 0.901 137 Q HN 0.449 nan 8.270 nan 0.000 0.429 138 T N -0.413 114.146 114.554 0.010 0.000 2.812 138 T HA -0.068 4.283 4.350 0.000 0.000 0.264 138 T C 1.841 176.547 174.700 0.011 0.000 1.042 138 T CA 1.090 63.199 62.100 0.014 0.000 1.140 138 T CB -0.271 68.608 68.868 0.018 0.000 0.870 138 T HN 0.352 nan 8.240 nan 0.000 0.445 139 I N 1.857 122.433 120.570 0.009 0.000 2.118 139 I HA -0.175 3.995 4.170 0.000 0.000 0.241 139 I C 3.141 179.263 176.117 0.008 0.000 1.070 139 I CA 1.565 62.871 61.300 0.011 0.000 1.327 139 I CB -0.737 37.271 38.000 0.012 0.000 1.034 139 I HN 0.368 nan 8.210 nan 0.000 0.405 140 A N 1.166 123.987 122.820 0.002 0.000 1.933 140 A HA -0.233 4.088 4.320 0.000 0.000 0.218 140 A C 2.236 179.820 177.584 -0.000 0.000 1.175 140 A CA 1.899 53.935 52.037 -0.001 0.000 0.628 140 A CB -0.762 18.233 19.000 -0.008 0.000 0.814 140 A HN 0.683 nan 8.150 nan 0.000 0.444 141 E N -0.654 119.546 120.200 -0.000 0.000 2.347 141 E HA -0.114 4.236 4.350 0.000 0.000 0.196 141 E C 1.867 178.469 176.600 0.004 0.000 1.008 141 E CA 0.779 57.178 56.400 -0.001 0.000 0.852 141 E CB -0.167 29.530 29.700 -0.004 0.000 0.783 141 E HN 0.602 nan 8.360 nan 0.000 0.505 142 R N 0.316 120.820 120.500 0.008 0.000 2.175 142 R HA 0.177 4.517 4.340 0.000 0.000 0.202 142 R C 1.527 177.833 176.300 0.010 0.000 1.018 142 R CA 0.654 56.760 56.100 0.010 0.000 1.029 142 R CB 0.377 30.685 30.300 0.013 0.000 0.959 142 R HN 0.016 nan 8.270 nan 0.000 0.480 143 K N -0.664 119.742 120.400 0.010 0.000 2.438 143 K HA 0.240 4.560 4.320 0.000 0.000 0.206 143 K C 0.558 177.164 176.600 0.010 0.000 1.081 143 K CA 0.434 56.728 56.287 0.012 0.000 1.053 143 K CB 1.872 34.382 32.500 0.017 0.000 0.908 143 K HN 0.246 nan 8.250 nan 0.000 0.556 144 G N 2.301 111.105 108.800 0.006 0.000 2.523 144 G HA2 -0.355 3.605 3.960 0.000 0.000 0.271 144 G HA3 -0.355 3.605 3.960 0.000 0.000 0.271 144 G C -0.023 174.879 174.900 0.004 0.000 1.146 144 G CA -0.251 44.852 45.100 0.004 0.000 0.961 144 G HN 0.407 nan 8.290 nan 0.000 0.549 145 A N -0.389 122.434 122.820 0.005 0.000 2.531 145 A HA 0.532 4.852 4.320 0.000 0.000 0.236 145 A C 1.381 178.969 177.584 0.006 0.000 1.062 145 A CA 0.887 52.926 52.037 0.004 0.000 0.760 145 A CB 0.435 19.439 19.000 0.007 0.000 0.995 145 A HN 1.313 nan 8.150 nan 0.000 0.501 146 L N 1.509 122.732 121.223 -0.000 0.000 2.202 146 L HA 0.146 4.486 4.340 0.000 0.000 0.205 146 L C 1.715 178.584 176.870 -0.001 0.000 1.083 146 L CA 1.064 55.903 54.840 -0.001 0.000 0.790 146 L CB -0.928 41.124 42.059 -0.012 0.000 0.942 146 L HN 0.772 nan 8.230 nan 0.000 0.452 147 R N -0.183 120.313 120.500 -0.006 0.000 2.504 147 R HA 0.205 4.545 4.340 0.000 0.000 0.291 147 R C 1.138 177.448 176.300 0.018 0.000 0.974 147 R CA 1.074 57.167 56.100 -0.012 0.000 1.077 147 R CB -0.149 30.146 30.300 -0.008 0.000 0.926 147 R HN 0.476 nan 8.270 nan 0.000 0.407 148 G N 3.077 111.890 108.800 0.021 0.000 2.217 148 G HA2 -0.279 3.681 3.960 0.000 0.000 0.246 148 G HA3 -0.279 3.681 3.960 0.000 0.000 0.246 148 G C 0.328 175.339 174.900 0.184 0.000 0.990 148 G CA -0.113 45.074 45.100 0.144 0.000 0.627 148 G HN 0.493 nan 8.290 nan 0.000 0.522 149 L N -0.103 121.183 121.223 0.104 0.000 2.483 149 L HA 0.423 4.763 4.340 0.000 0.000 0.277 149 L C 1.145 178.104 176.870 0.149 0.000 1.248 149 L CA 0.040 54.939 54.840 0.098 0.000 0.825 149 L CB 0.334 42.427 42.059 0.057 0.000 1.096 149 L HN 0.183 nan 8.230 nan 0.000 0.512 150 R N 1.561 122.130 120.500 0.115 0.000 2.360 150 R HA 0.539 4.879 4.340 0.000 0.000 0.318 150 R C -1.151 175.204 176.300 0.092 0.000 0.950 150 R CA -0.315 55.855 56.100 0.117 0.000 0.837 150 R CB 1.291 31.639 30.300 0.079 0.000 1.165 150 R HN 0.425 nan 8.270 nan 0.000 0.458 151 L N 1.926 123.202 121.223 0.088 0.000 2.346 151 L HA 0.642 4.983 4.340 0.000 0.000 0.276 151 L C -1.054 175.853 176.870 0.062 0.000 1.006 151 L CA -0.187 54.699 54.840 0.077 0.000 0.817 151 L CB 2.031 44.128 42.059 0.063 0.000 1.272 151 L HN 0.579 nan 8.230 nan 0.000 0.421 152 S N 3.046 118.784 115.700 0.063 0.000 2.521 152 S HA 0.474 4.945 4.470 0.000 0.000 0.295 152 S C -1.547 173.001 174.600 -0.088 0.000 1.098 152 S CA -0.381 57.778 58.200 -0.069 0.000 0.999 152 S CB 1.498 64.602 63.200 -0.160 0.000 1.034 152 S HN 0.534 nan 8.310 nan 0.000 0.483 153 Y N 2.202 122.299 120.300 -0.338 0.000 2.446 153 Y HA 0.743 5.293 4.550 0.000 0.000 0.338 153 Y C -1.771 173.854 175.900 -0.458 0.000 1.055 153 Y CA -1.178 56.783 58.100 -0.231 0.000 1.101 153 Y CB 0.770 39.153 38.460 -0.129 0.000 1.221 153 Y HN 0.584 nan 8.280 nan 0.000 0.460 154 F N 3.915 123.404 119.950 -0.768 0.000 2.540 154 F HA 0.726 5.253 4.527 0.000 0.000 0.317 154 F C 0.618 176.043 175.800 -0.624 0.000 1.104 154 F CA 0.194 57.957 58.000 -0.394 0.000 0.913 154 F CB 2.079 41.039 39.000 -0.067 0.000 1.170 154 F HN 0.832 nan 8.300 nan 0.000 0.450 155 G N 2.000 110.687 108.800 -0.189 0.000 2.254 155 G HA2 -0.123 3.837 3.960 0.000 0.000 0.193 155 G HA3 -0.123 3.837 3.960 0.000 0.000 0.193 155 G C -1.300 173.398 174.900 -0.337 0.000 1.233 155 G CA -0.788 44.183 45.100 -0.216 0.000 1.290 155 G HN 0.596 nan 8.290 nan 0.000 0.517 156 D N 2.268 122.411 120.400 -0.429 0.000 2.398 156 D HA 0.438 5.078 4.640 0.000 0.000 0.250 156 D C 1.527 177.889 176.300 0.102 0.000 1.287 156 D CA 0.858 54.712 54.000 -0.242 0.000 0.992 156 D CB 0.238 40.843 40.800 -0.325 0.000 1.071 156 D HN 0.851 nan 8.370 nan 0.000 0.514 157 G N 2.472 111.354 108.800 0.136 0.000 2.920 157 G HA2 0.105 4.065 3.960 0.000 0.000 0.208 157 G HA3 0.105 4.065 3.960 0.000 0.000 0.208 157 G C 1.010 175.862 174.900 -0.080 0.000 1.159 157 G CA 0.349 45.501 45.100 0.086 0.000 0.784 157 G HN 0.519 nan 8.290 nan 0.000 0.535 158 A N 0.481 123.277 122.820 -0.040 0.000 2.387 158 A HA 0.276 4.597 4.320 0.000 0.000 0.234 158 A C 1.129 178.511 177.584 -0.337 0.000 1.253 158 A CA -0.108 51.844 52.037 -0.142 0.000 0.894 158 A CB -0.175 18.864 19.000 0.066 0.000 0.963 158 A HN 0.453 nan 8.150 nan 0.000 0.508 159 N N -0.105 118.390 118.700 -0.342 0.000 2.538 159 N HA 0.078 4.819 4.740 0.000 0.000 0.292 159 N C 0.396 175.678 175.510 -0.380 0.000 1.262 159 N CA -0.005 52.888 53.050 -0.260 0.000 0.976 159 N CB -0.077 38.345 38.487 -0.107 0.000 1.161 159 N HN 0.067 nan 8.380 nan 0.000 0.598 160 N N -0.169 118.416 118.700 -0.192 0.000 2.166 160 N HA -0.137 4.603 4.740 0.000 0.000 0.186 160 N C 1.255 176.715 175.510 -0.083 0.000 1.019 160 N CA 1.466 54.447 53.050 -0.116 0.000 0.856 160 N CB -0.397 38.063 38.487 -0.044 0.000 0.993 160 N HN 0.393 nan 8.380 nan 0.000 0.426 161 M N 0.554 120.074 119.600 -0.132 0.000 2.132 161 M HA 0.149 4.629 4.480 0.000 0.000 0.263 161 M C 2.183 178.222 176.300 -0.435 0.000 1.065 161 M CA 1.274 56.463 55.300 -0.184 0.000 1.122 161 M CB -1.287 31.234 32.600 -0.131 0.000 1.365 161 M HN 0.367 nan 8.290 nan 0.000 0.411 162 A N -0.246 122.167 122.820 -0.678 0.000 1.858 162 A HA -0.198 4.123 4.320 0.000 0.000 0.216 162 A C 1.944 179.328 177.584 -0.332 0.000 1.190 162 A CA 1.633 53.198 52.037 -0.786 0.000 0.617 162 A CB -1.049 17.540 19.000 -0.686 0.000 0.827 162 A HN 0.463 nan 8.150 nan 0.000 0.443 163 H N 0.125 119.084 119.070 -0.186 0.000 2.289 163 H HA -0.093 4.463 4.556 0.000 0.000 0.296 163 H C 2.598 177.979 175.328 0.088 0.000 1.091 163 H CA 1.708 57.724 56.048 -0.053 0.000 1.274 163 H CB -0.816 28.834 29.762 -0.186 0.000 1.364 163 H HN 0.448 nan 8.280 nan 0.000 0.490 164 S N 0.346 116.184 115.700 0.230 0.000 2.368 164 S HA -0.058 4.412 4.470 0.000 0.000 0.225 164 S C 2.518 177.144 174.600 0.043 0.000 1.030 164 S CA 0.597 58.900 58.200 0.173 0.000 0.999 164 S CB -0.272 63.021 63.200 0.155 0.000 0.844 164 S HN 0.210 nan 8.310 nan 0.000 0.459 165 L N 0.989 122.186 121.223 -0.043 0.000 2.083 165 L HA -0.115 4.225 4.340 0.000 0.000 0.209 165 L C 2.194 179.048 176.870 -0.027 0.000 1.083 165 L CA 1.000 55.804 54.840 -0.058 0.000 0.752 165 L CB -0.511 41.469 42.059 -0.131 0.000 0.899 165 L HN 0.296 nan 8.230 nan 0.000 0.433 166 L N -0.852 120.361 121.223 -0.017 0.000 2.083 166 L HA -0.239 4.101 4.340 0.000 0.000 0.209 166 L C 2.353 179.235 176.870 0.020 0.000 1.083 166 L CA 1.273 56.120 54.840 0.013 0.000 0.752 166 L CB -0.260 41.825 42.059 0.044 0.000 0.899 166 L HN 0.277 nan 8.230 nan 0.000 0.433 167 L N -1.522 119.722 121.223 0.035 0.000 2.145 167 L HA 0.044 4.385 4.340 0.000 0.000 0.201 167 L C 2.595 179.457 176.870 -0.014 0.000 1.075 167 L CA 0.959 55.803 54.840 0.006 0.000 0.773 167 L CB -0.864 41.187 42.059 -0.014 0.000 0.936 167 L HN 0.231 nan 8.230 nan 0.000 0.451 168 G N -0.316 108.480 108.800 -0.006 0.000 2.422 168 G HA2 -0.140 3.820 3.960 0.000 0.000 0.218 168 G HA3 -0.140 3.820 3.960 0.000 0.000 0.218 168 G C 1.529 176.422 174.900 -0.012 0.000 1.140 168 G CA 0.713 45.812 45.100 -0.003 0.000 0.775 168 G HN 0.460 nan 8.290 nan 0.000 0.545 169 G N 0.930 109.723 108.800 -0.012 0.000 2.434 169 G HA2 -0.146 3.814 3.960 0.000 0.000 0.214 169 G HA3 -0.146 3.814 3.960 0.000 0.000 0.214 169 G C 1.962 176.841 174.900 -0.035 0.000 1.202 169 G CA 2.067 47.156 45.100 -0.017 0.000 0.788 169 G HN 0.772 nan 8.290 nan 0.000 0.539 170 V N -1.174 118.719 119.914 -0.035 0.000 2.720 170 V HA -0.079 4.041 4.120 0.000 0.000 0.256 170 V C 2.491 178.553 176.094 -0.053 0.000 1.082 170 V CA 2.483 64.750 62.300 -0.055 0.000 1.101 170 V CB -1.168 30.631 31.823 -0.041 0.000 0.693 170 V HN 0.244 nan 8.190 nan 0.000 0.479 171 T N 1.142 115.672 114.554 -0.040 0.000 2.951 171 T HA 0.133 4.483 4.350 0.000 0.000 0.268 171 T C 1.866 176.541 174.700 -0.043 0.000 1.073 171 T CA 1.583 63.660 62.100 -0.037 0.000 1.134 171 T CB -0.312 68.537 68.868 -0.031 0.000 0.884 171 T HN 0.757 nan 8.240 nan 0.000 0.479 172 A N 0.315 123.109 122.820 -0.044 0.000 2.251 172 A HA 0.534 4.854 4.320 0.000 0.000 0.209 172 A C 1.840 179.391 177.584 -0.055 0.000 1.187 172 A CA 0.674 52.684 52.037 -0.044 0.000 0.823 172 A CB -0.644 18.335 19.000 -0.036 0.000 0.846 172 A HN 0.658 nan 8.150 nan 0.000 0.486 173 G N -0.732 108.021 108.800 -0.077 0.000 2.136 173 G HA2 -0.216 3.745 3.960 0.000 0.000 0.242 173 G HA3 -0.216 3.745 3.960 0.000 0.000 0.242 173 G C 0.021 174.814 174.900 -0.179 0.000 0.989 173 G CA 0.300 45.330 45.100 -0.117 0.000 0.682 173 G HN 0.474 nan 8.290 nan 0.000 0.522 174 I N 0.819 121.303 120.570 -0.143 0.000 2.353 174 I HA 0.300 4.470 4.170 0.000 0.000 0.293 174 I C 0.572 176.591 176.117 -0.163 0.000 0.992 174 I CA -1.073 60.159 61.300 -0.113 0.000 1.268 174 I CB 0.807 38.790 38.000 -0.028 0.000 1.387 174 I HN 0.088 nan 8.210 nan 0.000 0.478 175 H N 4.773 123.850 119.070 0.013 0.000 3.017 175 H HA 0.240 4.796 4.556 0.001 0.000 0.276 175 H C -0.483 174.853 175.328 0.013 0.000 1.062 175 H CA -0.048 56.008 56.048 0.013 0.000 1.486 175 H CB 0.435 30.206 29.762 0.015 0.000 1.507 175 H HN 0.217 nan 8.280 nan 0.000 0.508 176 V N 4.220 124.189 119.914 0.091 0.000 2.483 176 V HA 0.336 4.456 4.120 0.000 0.000 0.295 176 V C 0.329 176.451 176.094 0.047 0.000 1.035 176 V CA -0.591 61.741 62.300 0.053 0.000 0.896 176 V CB 2.009 33.846 31.823 0.022 0.000 0.986 176 V HN 0.785 nan 8.190 nan 0.000 0.447 177 T N 3.599 118.166 114.554 0.022 0.000 2.861 177 T HA 0.596 4.947 4.350 0.000 0.000 0.287 177 T C -0.708 173.971 174.700 -0.035 0.000 1.003 177 T CA -0.406 61.691 62.100 -0.005 0.000 0.977 177 T CB 1.812 70.668 68.868 -0.021 0.000 0.996 177 T HN 0.336 nan 8.240 nan 0.000 0.448 178 V N 2.517 122.422 119.914 -0.016 0.000 2.409 178 V HA 0.763 4.883 4.120 0.000 0.000 0.291 178 V C -0.117 175.963 176.094 -0.023 0.000 1.020 178 V CA -0.837 61.469 62.300 0.010 0.000 0.848 178 V CB 1.424 33.272 31.823 0.042 0.000 0.990 178 V HN 1.077 nan 8.190 nan 0.000 0.430 179 A N 4.369 127.133 122.820 -0.093 0.000 2.267 179 A HA 0.965 5.285 4.320 0.000 0.000 0.315 179 A C -0.095 177.450 177.584 -0.065 0.000 1.297 179 A CA -0.011 52.039 52.037 0.023 0.000 0.865 179 A CB 0.985 19.969 19.000 -0.026 0.000 1.165 179 A HN 1.451 nan 8.150 nan 0.000 0.513 180 A N 3.803 126.492 122.820 -0.218 0.000 2.612 180 A HA 0.919 5.240 4.320 0.000 0.000 0.293 180 A C -3.283 173.948 177.584 -0.588 0.000 1.075 180 A CA -1.484 50.101 52.037 -0.754 0.000 0.680 180 A CB 1.116 19.988 19.000 -0.214 0.000 1.279 180 A HN 0.498 nan 8.150 nan 0.000 0.411 181 P HA 0.211 nan 4.420 nan 0.000 0.272 181 P C 0.339 177.658 177.300 0.031 0.000 1.230 181 P CA 0.102 63.168 63.100 -0.057 0.000 0.788 181 P CB 0.507 32.196 31.700 -0.018 0.000 0.949 182 E N 0.632 120.851 120.200 0.032 0.000 2.209 182 E HA -0.145 4.205 4.350 0.000 0.000 0.196 182 E C 1.690 178.240 176.600 -0.082 0.000 0.993 182 E CA 1.916 58.309 56.400 -0.012 0.000 0.819 182 E CB -1.465 28.225 29.700 -0.017 0.000 0.745 182 E HN 0.556 nan 8.360 nan 0.000 0.477 183 G N -1.111 107.593 108.800 -0.159 0.000 3.233 183 G HA2 0.173 4.133 3.960 0.000 0.000 0.227 183 G HA3 0.173 4.133 3.960 0.000 0.000 0.227 183 G C -0.281 174.129 174.900 -0.818 0.000 1.175 183 G CA -0.287 44.530 45.100 -0.472 0.000 0.781 183 G HN 0.226 nan 8.290 nan 0.000 0.542 184 F N 0.323 120.241 119.950 -0.053 0.000 2.520 184 F HA 0.412 4.939 4.527 0.000 0.000 0.371 184 F C 0.048 175.831 175.800 -0.028 0.000 1.540 184 F CA -0.822 57.174 58.000 -0.008 0.000 1.091 184 F CB 0.278 39.336 39.000 0.097 0.000 1.488 184 F HN -0.186 nan 8.300 nan 0.000 0.538 185 L N 1.313 122.573 121.223 0.061 0.000 2.399 185 L HA 0.564 4.904 4.340 0.000 0.000 0.265 185 L C -2.161 174.737 176.870 0.046 0.000 1.089 185 L CA -2.143 52.721 54.840 0.041 0.000 0.802 185 L CB 0.638 42.707 42.059 0.016 0.000 1.180 185 L HN -0.090 nan 8.230 nan 0.000 0.454 186 P HA -0.082 nan 4.420 nan 0.000 0.266 186 P C -0.669 176.733 177.300 0.171 0.000 1.195 186 P CA -0.111 63.075 63.100 0.143 0.000 0.768 186 P CB 0.285 32.062 31.700 0.129 0.000 0.838 187 D N 4.896 125.478 120.400 0.304 0.000 2.581 187 D HA -0.089 4.551 4.640 0.000 0.000 0.238 187 D C -1.332 174.972 176.300 0.008 0.000 1.145 187 D CA -0.810 53.228 54.000 0.064 0.000 0.866 187 D CB 0.592 41.333 40.800 -0.100 0.000 1.151 187 D HN 0.166 nan 8.370 nan 0.000 0.500 188 P HA -0.134 nan 4.420 nan 0.000 0.220 188 P C 1.335 178.628 177.300 -0.012 0.000 1.148 188 P CA 1.001 64.101 63.100 -0.000 0.000 0.803 188 P CB 0.113 31.810 31.700 -0.004 0.000 0.782 189 S N -1.704 113.978 115.700 -0.031 0.000 2.425 189 S HA -0.051 4.419 4.470 0.000 0.000 0.225 189 S C 1.953 176.535 174.600 -0.029 0.000 1.024 189 S CA 0.697 58.881 58.200 -0.027 0.000 0.951 189 S CB -1.606 61.578 63.200 -0.027 0.000 0.796 189 S HN -0.055 nan 8.310 nan 0.000 0.498 190 V N 2.625 122.494 119.914 -0.075 0.000 2.332 190 V HA -0.189 3.931 4.120 0.000 0.000 0.248 190 V C 2.927 179.025 176.094 0.007 0.000 1.055 190 V CA 2.268 64.535 62.300 -0.055 0.000 1.038 190 V CB -0.901 30.774 31.823 -0.246 0.000 0.651 190 V HN 0.507 nan 8.190 nan 0.000 0.450 191 R N 0.070 120.578 120.500 0.013 0.000 2.081 191 R HA -0.164 4.176 4.340 0.000 0.000 0.235 191 R C 2.348 178.659 176.300 0.018 0.000 1.131 191 R CA 1.642 57.760 56.100 0.030 0.000 0.960 191 R CB -0.442 29.878 30.300 0.033 0.000 0.856 191 R HN 0.500 nan 8.270 nan 0.000 0.436 192 A N 0.845 123.670 122.820 0.009 0.000 1.877 192 A HA -0.140 4.181 4.320 0.000 0.000 0.216 192 A C 2.377 179.964 177.584 0.005 0.000 1.186 192 A CA 1.799 53.840 52.037 0.006 0.000 0.620 192 A CB -0.865 18.136 19.000 0.002 0.000 0.822 192 A HN 0.536 nan 8.150 nan 0.000 0.443 193 A N -0.083 122.740 122.820 0.004 0.000 1.892 193 A HA 0.060 4.381 4.320 0.000 0.000 0.218 193 A C 2.540 180.124 177.584 0.000 0.000 1.188 193 A CA 2.508 54.545 52.037 -0.000 0.000 0.631 193 A CB -1.159 17.840 19.000 -0.001 0.000 0.822 193 A HN 1.175 nan 8.150 nan 0.000 0.447 194 A N -0.352 122.474 122.820 0.010 0.000 1.908 194 A HA -0.206 4.114 4.320 0.000 0.000 0.218 194 A C 1.902 179.489 177.584 0.005 0.000 1.181 194 A CA 1.850 53.893 52.037 0.009 0.000 0.627 194 A CB -0.590 18.424 19.000 0.024 0.000 0.818 194 A HN 0.649 nan 8.150 nan 0.000 0.445 195 E N -0.890 119.315 120.200 0.010 0.000 2.110 195 E HA -0.176 4.174 4.350 0.000 0.000 0.193 195 E C 2.321 178.924 176.600 0.005 0.000 0.988 195 E CA 1.109 57.515 56.400 0.010 0.000 0.804 195 E CB -0.127 29.581 29.700 0.013 0.000 0.745 195 E HN 0.551 nan 8.360 nan 0.000 0.458 196 R N 0.427 120.928 120.500 0.002 0.000 2.066 196 R HA -0.111 4.229 4.340 0.000 0.000 0.232 196 R C 2.390 178.688 176.300 -0.005 0.000 1.131 196 R CA 1.346 57.446 56.100 -0.000 0.000 0.955 196 R CB -0.019 30.280 30.300 -0.002 0.000 0.851 196 R HN -0.092 nan 8.270 nan 0.000 0.432 197 R N 0.650 121.145 120.500 -0.009 0.000 2.120 197 R HA -0.045 4.295 4.340 0.000 0.000 0.234 197 R C 1.794 178.083 176.300 -0.018 0.000 1.123 197 R CA 1.789 57.880 56.100 -0.014 0.000 0.975 197 R CB -0.587 29.701 30.300 -0.020 0.000 0.866 197 R HN 0.282 nan 8.270 nan 0.000 0.446 198 A N 0.385 123.194 122.820 -0.017 0.000 1.972 198 A HA -0.183 4.138 4.320 0.000 0.000 0.219 198 A C 1.997 179.569 177.584 -0.019 0.000 1.169 198 A CA 1.476 53.497 52.037 -0.027 0.000 0.635 198 A CB -0.448 18.542 19.000 -0.017 0.000 0.810 198 A HN 0.546 nan 8.150 nan 0.000 0.446 199 Q N -0.322 119.474 119.800 -0.006 0.000 2.124 199 Q HA -0.190 4.150 4.340 0.000 0.000 0.202 199 Q C 1.103 177.101 176.000 -0.003 0.000 0.977 199 Q CA 1.424 57.227 55.803 -0.000 0.000 0.850 199 Q CB -0.289 28.451 28.738 0.004 0.000 0.901 199 Q HN 0.609 nan 8.270 nan 0.000 0.429 200 D N -0.190 120.205 120.400 -0.008 0.000 2.269 200 D HA -0.090 4.550 4.640 0.000 0.000 0.208 200 D C 1.793 178.085 176.300 -0.014 0.000 0.963 200 D CA 1.683 55.679 54.000 -0.008 0.000 0.864 200 D CB 0.005 40.801 40.800 -0.007 0.000 0.936 200 D HN 0.396 nan 8.370 nan 0.000 0.505 201 T N -4.580 109.959 114.554 -0.026 0.000 3.010 201 T HA 0.399 4.750 4.350 0.000 0.000 0.257 201 T C 1.593 176.264 174.700 -0.049 0.000 1.020 201 T CA 0.531 62.608 62.100 -0.038 0.000 0.938 201 T CB 0.920 69.756 68.868 -0.053 0.000 1.049 201 T HN 0.145 nan 8.240 nan 0.000 0.522 202 G N 1.293 110.069 108.800 -0.040 0.000 2.157 202 G HA2 -0.021 3.939 3.960 0.000 0.000 0.248 202 G HA3 -0.021 3.939 3.960 0.000 0.000 0.248 202 G C 0.439 175.279 174.900 -0.099 0.000 0.979 202 G CA 0.003 45.086 45.100 -0.028 0.000 0.650 202 G HN 1.120 nan 8.290 nan 0.000 0.529 203 A N -0.410 122.307 122.820 -0.172 0.000 2.275 203 A HA 0.953 5.274 4.320 0.000 0.000 0.282 203 A C 0.890 178.403 177.584 -0.119 0.000 1.275 203 A CA 0.946 52.774 52.037 -0.349 0.000 0.842 203 A CB 0.706 19.557 19.000 -0.248 0.000 1.280 203 A HN 2.146 nan 8.150 nan 0.000 0.508 204 S N -2.769 112.911 115.700 -0.032 0.000 2.596 204 S HA 0.646 5.117 4.470 0.000 0.000 0.270 204 S C -1.379 173.267 174.600 0.077 0.000 1.155 204 S CA -0.592 57.678 58.200 0.118 0.000 0.827 204 S CB 1.205 64.580 63.200 0.291 0.000 1.130 204 S HN 1.088 nan 8.310 nan 0.000 0.467 205 V N 1.382 121.335 119.914 0.065 0.000 2.588 205 V HA 0.738 4.859 4.120 0.000 0.000 0.304 205 V C -0.655 175.468 176.094 0.048 0.000 1.042 205 V CA -0.299 62.029 62.300 0.047 0.000 0.877 205 V CB 1.870 33.713 31.823 0.033 0.000 0.996 205 V HN 1.077 nan 8.190 nan 0.000 0.425 206 T N 3.880 118.460 114.554 0.043 0.000 2.881 206 T HA 0.604 4.955 4.350 0.000 0.000 0.290 206 T C -0.715 174.002 174.700 0.029 0.000 1.000 206 T CA -0.445 61.677 62.100 0.036 0.000 0.978 206 T CB 1.822 70.713 68.868 0.037 0.000 0.997 206 T HN 0.333 nan 8.240 nan 0.000 0.443 207 V N 2.910 122.842 119.914 0.030 0.000 2.409 207 V HA 0.750 4.870 4.120 0.000 0.000 0.291 207 V C 0.197 176.315 176.094 0.039 0.000 1.020 207 V CA -0.544 61.774 62.300 0.031 0.000 0.848 207 V CB 1.646 33.486 31.823 0.030 0.000 0.990 207 V HN 0.958 nan 8.190 nan 0.000 0.430 208 T N 3.038 117.623 114.554 0.052 0.000 2.909 208 T HA 0.651 5.002 4.350 0.000 0.000 0.299 208 T C 0.465 175.251 174.700 0.144 0.000 1.073 208 T CA 0.333 62.482 62.100 0.081 0.000 0.999 208 T CB 1.912 70.828 68.868 0.079 0.000 1.098 208 T HN 0.786 nan 8.240 nan 0.000 0.477 209 A N 2.411 125.330 122.820 0.166 0.000 2.345 209 A HA 0.318 4.638 4.320 0.000 0.000 0.225 209 A C 0.469 178.226 177.584 0.289 0.000 1.243 209 A CA -0.055 52.158 52.037 0.293 0.000 0.875 209 A CB -0.060 19.059 19.000 0.199 0.000 0.929 209 A HN 0.671 nan 8.150 nan 0.000 0.502 210 D N 0.317 120.817 120.400 0.167 0.000 2.473 210 D HA 0.554 5.194 4.640 0.000 0.000 0.226 210 D C 1.167 177.508 176.300 0.068 0.000 1.089 210 D CA 0.332 54.344 54.000 0.020 0.000 0.883 210 D CB 1.159 41.969 40.800 0.017 0.000 1.029 210 D HN 0.084 nan 8.370 nan 0.000 0.517 211 A N 3.773 126.563 122.820 -0.050 0.000 1.948 211 A HA -0.240 4.080 4.320 0.000 0.000 0.220 211 A C 1.643 179.424 177.584 0.329 0.000 1.177 211 A CA 1.528 53.700 52.037 0.226 0.000 0.636 211 A CB -0.783 18.206 19.000 -0.018 0.000 0.815 211 A HN 0.808 nan 8.150 nan 0.000 0.449 212 H N -1.069 118.039 119.070 0.064 0.000 2.357 212 H HA 0.068 4.625 4.556 0.000 0.000 0.301 212 H C 2.519 177.895 175.328 0.081 0.000 1.082 212 H CA 0.559 56.636 56.048 0.049 0.000 1.342 212 H CB -0.008 29.754 29.762 -0.000 0.000 1.389 212 H HN 0.576 nan 8.280 nan 0.000 0.511 213 A N 1.269 124.204 122.820 0.190 0.000 1.933 213 A HA -0.086 4.234 4.320 0.000 0.000 0.218 213 A C 2.510 180.180 177.584 0.142 0.000 1.175 213 A CA 1.294 53.410 52.037 0.132 0.000 0.628 213 A CB -0.694 18.359 19.000 0.088 0.000 0.814 213 A HN 0.462 nan 8.150 nan 0.000 0.444 214 A N -0.376 122.558 122.820 0.189 0.000 1.929 214 A HA 0.291 4.611 4.320 0.000 0.000 0.216 214 A C 2.405 180.155 177.584 0.276 0.000 1.176 214 A CA 1.661 53.794 52.037 0.159 0.000 0.628 214 A CB -0.746 18.276 19.000 0.037 0.000 0.816 214 A HN 0.950 nan 8.150 nan 0.000 0.444 215 A N -0.030 123.037 122.820 0.412 0.000 1.968 215 A HA 0.463 4.783 4.320 0.000 0.000 0.217 215 A C 1.567 179.253 177.584 0.170 0.000 1.169 215 A CA 0.805 53.047 52.037 0.341 0.000 0.638 215 A CB -0.954 18.174 19.000 0.212 0.000 0.812 215 A HN 1.142 nan 8.150 nan 0.000 0.446 216 A N -0.181 122.719 122.820 0.134 0.000 2.540 216 A HA 0.408 4.728 4.320 0.000 0.000 0.264 216 A C 1.625 179.249 177.584 0.065 0.000 1.080 216 A CA 0.693 52.778 52.037 0.079 0.000 0.776 216 A CB -1.319 17.722 19.000 0.069 0.000 1.011 216 A HN 2.055 nan 8.150 nan 0.000 0.514 217 G N 1.326 110.157 108.800 0.051 0.000 2.155 217 G HA2 0.088 4.049 3.960 0.000 0.000 0.257 217 G HA3 0.088 4.049 3.960 0.000 0.000 0.257 217 G C 0.628 175.560 174.900 0.053 0.000 0.983 217 G CA 0.553 45.678 45.100 0.041 0.000 0.676 217 G HN 2.218 nan 8.290 nan 0.000 0.528 218 A N -0.204 122.663 122.820 0.079 0.000 2.483 218 A HA 0.509 4.829 4.320 0.000 0.000 0.238 218 A C 1.206 178.835 177.584 0.075 0.000 1.070 218 A CA 0.840 52.932 52.037 0.092 0.000 0.770 218 A CB 0.335 19.422 19.000 0.145 0.000 1.008 218 A HN 0.230 nan 8.150 nan 0.000 0.497 219 D N 0.039 120.482 120.400 0.071 0.000 2.301 219 D HA 0.145 4.786 4.640 0.000 0.000 0.206 219 D C -0.044 176.293 176.300 0.061 0.000 0.979 219 D CA 1.145 55.180 54.000 0.059 0.000 0.874 219 D CB 0.422 41.254 40.800 0.054 0.000 0.968 219 D HN 0.234 nan 8.370 nan 0.000 0.510 220 V N 1.089 121.051 119.914 0.079 0.000 2.888 220 V HA 0.392 4.512 4.120 0.000 0.000 0.309 220 V C -1.013 175.157 176.094 0.126 0.000 1.114 220 V CA -0.808 61.542 62.300 0.082 0.000 0.940 220 V CB 2.816 34.680 31.823 0.069 0.000 1.021 220 V HN -0.156 nan 8.190 nan 0.000 0.426 221 L N 4.015 125.321 121.223 0.139 0.000 2.410 221 L HA 0.842 5.182 4.340 0.000 0.000 0.270 221 L C -0.737 176.246 176.870 0.188 0.000 0.983 221 L CA -0.280 54.705 54.840 0.241 0.000 0.822 221 L CB 2.237 44.418 42.059 0.204 0.000 1.285 221 L HN 0.469 nan 8.230 nan 0.000 0.409 222 V N 1.131 121.192 119.914 0.245 0.000 2.841 222 V HA 0.840 4.961 4.120 0.000 0.000 0.310 222 V C -0.300 175.833 176.094 0.065 0.000 1.090 222 V CA -0.458 61.932 62.300 0.150 0.000 0.930 222 V CB 2.134 34.083 31.823 0.210 0.000 1.014 222 V HN 0.791 nan 8.190 nan 0.000 0.425 223 T N 1.302 115.793 114.554 -0.106 0.000 2.654 223 T HA 0.690 5.040 4.350 0.000 0.000 0.289 223 T C -2.107 172.280 174.700 -0.521 0.000 1.062 223 T CA -0.196 61.693 62.100 -0.351 0.000 1.041 223 T CB 2.078 70.802 68.868 -0.241 0.000 1.417 223 T HN 0.980 nan 8.240 nan 0.000 0.510 224 D N -0.637 119.435 120.400 -0.547 0.000 2.671 224 D HA 0.339 4.980 4.640 0.000 0.000 0.273 224 D C -0.672 175.444 176.300 -0.305 0.000 1.264 224 D CA -0.170 53.510 54.000 -0.535 0.000 0.788 224 D CB 1.768 42.531 40.800 -0.062 0.000 1.324 224 D HN 0.534 nan 8.370 nan 0.000 0.424 225 T N 0.456 114.947 114.554 -0.104 0.000 2.906 225 T HA -0.042 4.308 4.350 0.000 0.000 0.329 225 T C 0.554 175.190 174.700 -0.105 0.000 1.091 225 T CA 0.513 62.556 62.100 -0.094 0.000 1.127 225 T CB 0.134 69.015 68.868 0.021 0.000 1.035 225 T HN 0.348 nan 8.240 nan 0.000 0.547 226 W N 2.130 123.289 121.300 -0.235 0.000 3.114 226 W HA 0.240 4.900 4.660 0.001 0.000 0.279 226 W C 0.798 177.179 176.519 -0.230 0.000 1.277 226 W CA -0.237 56.827 57.345 -0.469 0.000 1.630 226 W CB -0.709 28.464 29.460 -0.478 0.000 1.087 226 W HN 0.478 nan 8.180 nan 0.000 0.637 227 T N 0.833 115.450 114.554 0.105 0.000 2.912 227 T HA 0.357 4.707 4.350 0.000 0.000 0.326 227 T C 0.125 174.867 174.700 0.071 0.000 1.080 227 T CA -0.171 61.990 62.100 0.101 0.000 1.000 227 T CB 1.754 70.697 68.868 0.124 0.000 1.008 227 T HN -0.384 nan 8.240 nan 0.000 0.473 228 S N 3.114 118.847 115.700 0.054 0.000 2.617 228 S HA 0.374 4.844 4.470 0.000 0.000 0.269 228 S C 0.762 175.388 174.600 0.043 0.000 1.292 228 S CA -0.810 57.411 58.200 0.035 0.000 1.010 228 S CB 0.349 63.556 63.200 0.012 0.000 0.944 228 S HN 0.637 nan 8.310 nan 0.000 0.536 229 M N 2.435 122.047 119.600 0.019 0.000 2.408 229 M HA 0.165 4.646 4.480 0.000 0.000 0.363 229 M C 1.377 177.708 176.300 0.051 0.000 1.636 229 M CA 1.010 56.324 55.300 0.022 0.000 1.029 229 M CB -0.641 31.935 32.600 -0.040 0.000 2.068 229 M HN 1.073 nan 8.290 nan 0.000 0.466 230 G N 2.266 111.146 108.800 0.132 0.000 2.201 230 G HA2 -0.223 3.737 3.960 0.000 0.000 0.212 230 G HA3 -0.223 3.737 3.960 0.000 0.000 0.212 230 G C 0.590 175.574 174.900 0.140 0.000 0.994 230 G CA -0.016 45.208 45.100 0.207 0.000 0.644 230 G HN 0.682 nan 8.290 nan 0.000 0.508 231 Q N -0.157 119.710 119.800 0.111 0.000 2.352 231 Q HA 0.249 4.590 4.340 0.000 0.000 0.212 231 Q C 1.954 178.016 176.000 0.103 0.000 0.888 231 Q CA 0.579 56.447 55.803 0.108 0.000 0.934 231 Q CB 0.165 28.971 28.738 0.114 0.000 1.093 231 Q HN 0.598 nan 8.270 nan 0.000 0.523 232 E N 1.324 121.582 120.200 0.098 0.000 2.169 232 E HA -0.223 4.127 4.350 0.000 0.000 0.202 232 E C 0.477 177.125 176.600 0.079 0.000 1.016 232 E CA 1.550 58.003 56.400 0.089 0.000 0.817 232 E CB -0.094 29.656 29.700 0.083 0.000 0.736 232 E HN 0.371 nan 8.360 nan 0.000 0.462 233 N N 0.009 118.753 118.700 0.074 0.000 2.235 233 N HA -0.006 4.734 4.740 0.000 0.000 0.231 233 N C -0.033 175.511 175.510 0.057 0.000 1.177 233 N CA 0.276 53.362 53.050 0.059 0.000 0.874 233 N CB 0.658 39.174 38.487 0.048 0.000 1.097 233 N HN 0.153 nan 8.380 nan 0.000 0.518 234 D N 0.300 120.741 120.400 0.070 0.000 2.378 234 D HA -0.021 4.619 4.640 0.000 0.000 0.222 234 D C 1.552 177.887 176.300 0.058 0.000 0.980 234 D CA 0.949 54.989 54.000 0.066 0.000 0.907 234 D CB -0.390 40.461 40.800 0.085 0.000 0.899 234 D HN 0.223 nan 8.370 nan 0.000 0.527 235 G N -0.157 108.679 108.800 0.059 0.000 2.205 235 G HA2 -0.290 3.670 3.960 0.000 0.000 0.261 235 G HA3 -0.290 3.670 3.960 0.000 0.000 0.261 235 G C 0.230 175.163 174.900 0.054 0.000 0.980 235 G CA 0.385 45.514 45.100 0.049 0.000 0.632 235 G HN 0.437 nan 8.290 nan 0.000 0.533 236 L N 1.073 122.341 121.223 0.075 0.000 2.417 236 L HA 0.311 4.652 4.340 0.000 0.000 0.268 236 L C 0.536 177.455 176.870 0.080 0.000 1.158 236 L CA -0.605 54.287 54.840 0.086 0.000 0.819 236 L CB 0.601 42.748 42.059 0.148 0.000 1.112 236 L HN 0.127 nan 8.230 nan 0.000 0.458 237 D N 2.841 123.273 120.400 0.052 0.000 2.346 237 D HA 0.019 4.660 4.640 0.000 0.000 0.260 237 D C 0.222 176.531 176.300 0.015 0.000 1.252 237 D CA 0.150 54.168 54.000 0.030 0.000 0.895 237 D CB 0.547 41.345 40.800 -0.004 0.000 1.097 237 D HN 0.387 nan 8.370 nan 0.000 0.489 238 R N 3.057 123.602 120.500 0.075 0.000 2.791 238 R HA 0.187 4.528 4.340 0.000 0.000 0.357 238 R C 0.546 176.980 176.300 0.222 0.000 1.173 238 R CA -0.275 55.914 56.100 0.149 0.000 1.060 238 R CB 0.807 31.264 30.300 0.261 0.000 1.406 238 R HN 0.263 nan 8.270 nan 0.000 0.580 239 V N -0.565 119.383 119.914 0.058 0.000 3.001 239 V HA -0.020 4.100 4.120 0.000 0.000 0.228 239 V C 1.916 177.892 176.094 -0.196 0.000 1.204 239 V CA 0.393 62.726 62.300 0.055 0.000 1.247 239 V CB -0.041 31.861 31.823 0.132 0.000 1.093 239 V HN 0.142 nan 8.190 nan 0.000 0.504 240 K N 0.749 121.062 120.400 -0.145 0.000 2.044 240 K HA -0.183 4.138 4.320 0.000 0.000 0.210 240 K C -0.202 176.245 176.600 -0.255 0.000 1.049 240 K CA 2.326 58.521 56.287 -0.154 0.000 0.927 240 K CB -1.258 31.188 32.500 -0.091 0.000 0.713 240 K HN 0.420 nan 8.250 nan 0.000 0.443 241 P HA -0.113 nan 4.420 nan 0.000 0.220 241 P C 0.739 177.747 177.300 -0.487 0.000 1.148 241 P CA 1.144 63.962 63.100 -0.471 0.000 0.803 241 P CB 0.054 31.363 31.700 -0.651 0.000 0.782 242 F N -1.306 118.311 119.950 -0.554 0.000 2.754 242 F HA 0.162 4.689 4.527 0.001 0.000 0.297 242 F C 2.262 177.772 175.800 -0.483 0.000 1.122 242 F CA -0.008 57.513 58.000 -0.798 0.000 1.400 242 F CB -0.515 37.187 39.000 -2.164 0.000 1.117 242 F HN -0.266 nan 8.300 nan 0.000 0.587 243 R N 0.937 121.305 120.500 -0.221 0.000 2.113 243 R HA -0.174 4.167 4.340 0.000 0.000 0.244 243 R C -0.608 175.739 176.300 0.077 0.000 1.142 243 R CA 1.683 57.801 56.100 0.030 0.000 0.953 243 R CB -2.100 28.216 30.300 0.025 0.000 0.860 243 R HN 0.194 nan 8.270 nan 0.000 0.438 244 P HA -0.088 nan 4.420 nan 0.000 0.226 244 P C 0.498 177.580 177.300 -0.362 0.000 1.146 244 P CA 1.089 64.039 63.100 -0.250 0.000 0.773 244 P CB -0.125 31.285 31.700 -0.482 0.000 0.772 245 F N -1.531 118.487 119.950 0.114 0.000 2.695 245 F HA 0.192 4.719 4.527 0.000 0.000 0.303 245 F C 1.364 177.277 175.800 0.188 0.000 1.091 245 F CA -0.412 57.705 58.000 0.194 0.000 1.300 245 F CB -0.425 38.717 39.000 0.237 0.000 1.071 245 F HN -0.135 nan 8.300 nan 0.000 0.578 246 Q N 1.486 121.481 119.800 0.325 0.000 2.349 246 Q HA 0.061 4.402 4.340 0.000 0.000 0.287 246 Q C -0.687 175.309 176.000 -0.007 0.000 1.044 246 Q CA -0.186 55.776 55.803 0.264 0.000 0.918 246 Q CB 0.699 29.589 28.738 0.253 0.000 1.242 246 Q HN 0.146 nan 8.270 nan 0.000 0.405 247 L N 5.639 126.819 121.223 -0.072 0.000 2.302 247 L HA 0.227 4.567 4.340 0.000 0.000 0.285 247 L C -0.714 176.088 176.870 -0.114 0.000 1.090 247 L CA 0.236 54.966 54.840 -0.183 0.000 0.866 247 L CB 0.020 41.983 42.059 -0.160 0.000 1.244 247 L HN 0.690 nan 8.230 nan 0.000 0.435 248 N N -0.270 118.364 118.700 -0.110 0.000 2.701 248 N HA 0.382 5.123 4.740 0.000 0.000 0.290 248 N C 0.576 176.038 175.510 -0.079 0.000 1.338 248 N CA -0.643 52.364 53.050 -0.072 0.000 0.799 248 N CB 0.576 39.037 38.487 -0.043 0.000 1.491 248 N HN 0.055 nan 8.380 nan 0.000 0.540 249 S N -0.580 115.085 115.700 -0.058 0.000 2.399 249 S HA -0.069 4.402 4.470 0.000 0.000 0.231 249 S C 1.518 176.079 174.600 -0.065 0.000 1.022 249 S CA 0.840 59.008 58.200 -0.054 0.000 0.983 249 S CB -0.341 62.836 63.200 -0.039 0.000 0.803 249 S HN 0.451 nan 8.310 nan 0.000 0.480 250 R N 0.144 120.601 120.500 -0.072 0.000 2.093 250 R HA 0.105 4.445 4.340 0.000 0.000 0.224 250 R C 2.236 178.462 176.300 -0.123 0.000 1.101 250 R CA 0.666 56.711 56.100 -0.091 0.000 0.979 250 R CB -0.467 29.779 30.300 -0.090 0.000 0.877 250 R HN 0.266 nan 8.270 nan 0.000 0.441 251 L N 1.045 122.191 121.223 -0.128 0.000 2.027 251 L HA -0.143 4.197 4.340 0.000 0.000 0.206 251 L C 2.143 178.937 176.870 -0.127 0.000 1.074 251 L CA 1.358 56.108 54.840 -0.150 0.000 0.745 251 L CB -0.567 41.365 42.059 -0.212 0.000 0.898 251 L HN 0.092 nan 8.230 nan 0.000 0.433 252 L N 0.076 121.230 121.223 -0.116 0.000 2.042 252 L HA -0.162 4.179 4.340 0.000 0.000 0.210 252 L C 2.506 179.346 176.870 -0.051 0.000 1.076 252 L CA 2.135 56.928 54.840 -0.078 0.000 0.749 252 L CB -1.243 40.777 42.059 -0.066 0.000 0.893 252 L HN 0.287 nan 8.230 nan 0.000 0.432 253 A N -0.627 122.159 122.820 -0.057 0.000 2.042 253 A HA -0.212 4.108 4.320 0.000 0.000 0.222 253 A C 2.205 179.765 177.584 -0.040 0.000 1.167 253 A CA 2.095 54.105 52.037 -0.046 0.000 0.649 253 A CB -0.999 17.969 19.000 -0.053 0.000 0.809 253 A HN 0.579 nan 8.150 nan 0.000 0.457 254 L N -1.179 120.016 121.223 -0.046 0.000 2.395 254 L HA 0.088 4.428 4.340 0.000 0.000 0.218 254 L C 1.733 178.607 176.870 0.007 0.000 1.130 254 L CA 0.129 54.953 54.840 -0.026 0.000 0.826 254 L CB -0.698 41.343 42.059 -0.030 0.000 0.941 254 L HN 0.423 nan 8.230 nan 0.000 0.451 255 A N 0.065 122.892 122.820 0.012 0.000 2.310 255 A HA 0.067 4.388 4.320 0.000 0.000 0.260 255 A C -0.182 177.417 177.584 0.024 0.000 1.112 255 A CA -0.418 51.640 52.037 0.034 0.000 0.804 255 A CB 0.033 19.057 19.000 0.040 0.000 1.081 255 A HN 0.224 nan 8.150 nan 0.000 0.499 256 D N -0.809 119.609 120.400 0.031 0.000 2.449 256 D HA 0.136 4.776 4.640 0.000 0.000 0.236 256 D C 1.557 177.866 176.300 0.016 0.000 1.149 256 D CA 1.040 55.053 54.000 0.023 0.000 0.878 256 D CB 0.676 41.492 40.800 0.027 0.000 1.198 256 D HN 0.491 nan 8.370 nan 0.000 0.446 257 S N 1.289 116.996 115.700 0.011 0.000 2.474 257 S HA -0.156 4.315 4.470 0.000 0.000 0.235 257 S C 0.900 175.506 174.600 0.009 0.000 0.997 257 S CA 0.921 59.125 58.200 0.007 0.000 0.949 257 S CB 0.036 63.239 63.200 0.004 0.000 0.766 257 S HN 0.557 nan 8.310 nan 0.000 0.517 258 D N 1.609 122.017 120.400 0.013 0.000 2.368 258 D HA 0.512 5.152 4.640 0.000 0.000 0.218 258 D C 0.526 176.837 176.300 0.018 0.000 1.112 258 D CA 0.208 54.216 54.000 0.014 0.000 0.834 258 D CB 0.461 41.270 40.800 0.014 0.000 0.953 258 D HN 0.583 nan 8.370 nan 0.000 0.505 259 A N 1.051 123.884 122.820 0.021 0.000 2.483 259 A HA 0.399 4.719 4.320 0.000 0.000 0.238 259 A C 0.407 178.004 177.584 0.023 0.000 1.070 259 A CA -0.146 51.908 52.037 0.029 0.000 0.770 259 A CB -0.053 18.969 19.000 0.037 0.000 1.008 259 A HN 0.414 nan 8.150 nan 0.000 0.497 260 I N -0.784 119.803 120.570 0.027 0.000 2.863 260 I HA 0.809 4.979 4.170 0.000 0.000 0.311 260 I C -0.748 175.382 176.117 0.022 0.000 1.026 260 I CA -1.068 60.242 61.300 0.018 0.000 1.077 260 I CB 2.048 40.057 38.000 0.014 0.000 1.262 260 I HN 0.274 nan 8.210 nan 0.000 0.461 261 V N 4.682 124.598 119.914 0.003 0.000 2.495 261 V HA 0.545 4.666 4.120 0.000 0.000 0.298 261 V C -0.129 175.958 176.094 -0.013 0.000 1.031 261 V CA -0.451 61.850 62.300 0.002 0.000 0.871 261 V CB 1.609 33.419 31.823 -0.022 0.000 0.988 261 V HN 0.555 nan 8.190 nan 0.000 0.432 262 L N 4.409 125.640 121.223 0.013 0.000 2.354 262 L HA 0.727 5.067 4.340 0.000 0.000 0.264 262 L C -0.933 175.965 176.870 0.046 0.000 1.008 262 L CA -0.723 54.121 54.840 0.007 0.000 0.819 262 L CB 2.240 44.310 42.059 0.019 0.000 1.339 262 L HN 0.614 nan 8.230 nan 0.000 0.420 263 H N 0.591 119.606 119.070 -0.091 0.000 3.042 263 H HA 0.141 4.698 4.556 0.000 0.000 0.345 263 H C 0.197 175.473 175.328 -0.085 0.000 1.052 263 H CA -0.968 55.030 56.048 -0.084 0.000 1.311 263 H CB 2.086 31.761 29.762 -0.144 0.000 1.810 263 H HN 0.891 nan 8.280 nan 0.000 0.505 264 C N 3.841 123.252 119.300 0.184 0.000 2.432 264 C HA 0.312 4.773 4.460 0.000 0.000 0.280 264 C C 0.984 176.073 174.990 0.164 0.000 1.353 264 C CA 0.051 59.144 59.018 0.124 0.000 1.766 264 C CB -1.357 26.435 27.740 0.086 0.000 1.924 264 C HN 0.728 nan 8.230 nan 0.000 0.509 265 L N -1.461 119.949 121.223 0.312 0.000 0.584 265 L HA -0.055 4.285 4.340 0.000 0.000 0.356 265 L C -2.418 174.521 176.870 0.115 0.000 1.004 265 L CA -0.155 54.735 54.840 0.085 0.000 1.223 265 L CB -1.165 40.878 42.059 -0.026 0.000 0.012 265 L HN 0.111 nan 8.230 nan 0.000 0.091 266 P HA 0.339 nan 4.420 nan 0.000 0.275 266 P C -0.764 176.490 177.300 -0.077 0.000 1.227 266 P CA -0.199 62.890 63.100 -0.019 0.000 0.781 266 P CB 1.196 32.895 31.700 -0.003 0.000 0.906 267 A N 2.784 125.434 122.820 -0.283 0.000 2.310 267 A HA 0.288 4.608 4.320 0.000 0.000 0.299 267 A C -0.024 177.462 177.584 -0.164 0.000 1.147 267 A CA -0.426 51.368 52.037 -0.405 0.000 0.818 267 A CB 0.055 18.622 19.000 -0.721 0.000 1.096 267 A HN 0.674 nan 8.150 nan 0.000 0.495 268 H N 2.953 121.911 119.070 -0.187 0.000 2.821 268 H HA 0.226 4.782 4.556 0.001 0.000 0.262 268 H C -0.020 175.194 175.328 -0.191 0.000 1.402 268 H CA -0.166 55.783 56.048 -0.165 0.000 1.293 268 H CB -0.219 29.441 29.762 -0.171 0.000 1.533 268 H HN 0.644 nan 8.280 nan 0.000 0.528 269 R N 1.427 121.898 120.500 -0.047 0.000 2.502 269 R HA 0.107 4.447 4.340 0.000 0.000 0.292 269 R C 1.167 177.491 176.300 0.041 0.000 0.998 269 R CA 1.266 57.342 56.100 -0.040 0.000 1.056 269 R CB 0.347 30.608 30.300 -0.064 0.000 0.939 269 R HN 0.995 nan 8.270 nan 0.000 0.411 270 G N 2.317 111.111 108.800 -0.010 0.000 2.213 270 G HA2 -0.262 3.699 3.960 0.000 0.000 0.236 270 G HA3 -0.262 3.699 3.960 0.000 0.000 0.236 270 G C 0.247 175.122 174.900 -0.041 0.000 0.991 270 G CA 0.359 45.462 45.100 0.005 0.000 0.629 270 G HN 0.602 nan 8.290 nan 0.000 0.517 271 D N 0.323 120.613 120.400 -0.183 0.000 2.685 271 D HA 0.133 4.773 4.640 0.000 0.000 0.257 271 D C 2.384 178.137 176.300 -0.912 0.000 1.472 271 D CA 0.807 54.479 54.000 -0.546 0.000 1.125 271 D CB -0.417 39.875 40.800 -0.847 0.000 0.969 271 D HN 0.378 nan 8.370 nan 0.000 0.281 272 E N 0.790 120.236 120.200 -1.257 0.000 2.208 272 E HA -0.049 4.302 4.350 0.000 0.000 0.193 272 E C 0.745 177.172 176.600 -0.290 0.000 0.988 272 E CA 0.476 56.316 56.400 -0.933 0.000 0.828 272 E CB 0.619 29.718 29.700 -1.003 0.000 0.763 272 E HN 0.332 nan 8.360 nan 0.000 0.478 273 I N 1.560 122.000 120.570 -0.217 0.000 2.686 273 I HA 0.170 4.341 4.170 0.000 0.000 0.295 273 I C -0.783 175.278 176.117 -0.093 0.000 1.114 273 I CA -0.680 60.559 61.300 -0.101 0.000 1.038 273 I CB 2.247 40.231 38.000 -0.027 0.000 1.238 273 I HN -0.029 nan 8.210 nan 0.000 0.420 274 T N 1.257 115.772 114.554 -0.066 0.000 2.909 274 T HA 0.263 4.614 4.350 0.000 0.000 0.286 274 T C 0.704 175.377 174.700 -0.045 0.000 1.002 274 T CA -0.623 61.449 62.100 -0.047 0.000 1.074 274 T CB 1.321 70.170 68.868 -0.032 0.000 0.984 274 T HN 0.553 nan 8.240 nan 0.000 0.495 275 D N 1.779 122.160 120.400 -0.032 0.000 2.170 275 D HA -0.216 4.424 4.640 0.000 0.000 0.193 275 D C 2.253 178.544 176.300 -0.015 0.000 1.004 275 D CA 1.989 55.977 54.000 -0.019 0.000 0.860 275 D CB -0.687 40.108 40.800 -0.008 0.000 0.931 275 D HN 0.796 nan 8.370 nan 0.000 0.448 276 A N 0.446 123.255 122.820 -0.018 0.000 1.902 276 A HA -0.132 4.188 4.320 0.000 0.000 0.217 276 A C 2.606 180.177 177.584 -0.021 0.000 1.181 276 A CA 1.471 53.499 52.037 -0.015 0.000 0.623 276 A CB -0.680 18.310 19.000 -0.017 0.000 0.818 276 A HN 0.173 nan 8.150 nan 0.000 0.443 277 V N -0.353 119.540 119.914 -0.034 0.000 2.307 277 V HA -0.278 3.842 4.120 0.000 0.000 0.245 277 V C 2.602 178.666 176.094 -0.049 0.000 1.045 277 V CA 2.232 64.506 62.300 -0.043 0.000 1.024 277 V CB -0.689 31.099 31.823 -0.057 0.000 0.651 277 V HN 0.709 nan 8.190 nan 0.000 0.449 278 M N -0.001 119.562 119.600 -0.062 0.000 2.159 278 M HA -0.168 4.313 4.480 0.000 0.000 0.263 278 M C 1.257 177.523 176.300 -0.057 0.000 1.063 278 M CA 1.849 57.088 55.300 -0.101 0.000 1.110 278 M CB -0.163 32.356 32.600 -0.134 0.000 1.374 278 M HN 0.292 nan 8.290 nan 0.000 0.411 279 D N 0.486 120.891 120.400 0.007 0.000 2.349 279 D HA 0.174 4.814 4.640 0.000 0.000 0.214 279 D C 0.894 177.224 176.300 0.051 0.000 1.063 279 D CA 0.305 54.349 54.000 0.074 0.000 0.847 279 D CB -0.038 40.811 40.800 0.081 0.000 0.933 279 D HN 0.438 nan 8.370 nan 0.000 0.513 280 G N 1.586 110.395 108.800 0.015 0.000 2.611 280 G HA2 0.187 4.147 3.960 0.000 0.000 0.273 280 G HA3 0.187 4.147 3.960 0.000 0.000 0.273 280 G C -1.445 173.466 174.900 0.017 0.000 1.305 280 G CA -0.681 44.426 45.100 0.011 0.000 1.010 280 G HN -0.072 nan 8.290 nan 0.000 0.509 281 P HA 0.027 nan 4.420 nan 0.000 0.221 281 P C 1.657 178.964 177.300 0.011 0.000 1.150 281 P CA 1.514 64.623 63.100 0.016 0.000 0.800 281 P CB 0.206 31.912 31.700 0.010 0.000 0.787 282 A N -0.895 121.926 122.820 0.001 0.000 2.169 282 A HA 0.054 4.374 4.320 0.000 0.000 0.212 282 A C 1.416 178.993 177.584 -0.013 0.000 1.153 282 A CA 0.289 52.325 52.037 -0.003 0.000 0.756 282 A CB -0.851 18.145 19.000 -0.006 0.000 0.813 282 A HN 0.199 nan 8.150 nan 0.000 0.471 283 S N 0.109 115.795 115.700 -0.024 0.000 2.505 283 S HA 0.454 4.924 4.470 0.000 0.000 0.276 283 S C 0.701 175.263 174.600 -0.063 0.000 1.274 283 S CA 0.104 58.266 58.200 -0.064 0.000 1.053 283 S CB 0.812 63.955 63.200 -0.095 0.000 0.919 283 S HN 0.682 nan 8.310 nan 0.000 0.490 284 A N 4.976 127.749 122.820 -0.080 0.000 2.500 284 A HA 0.318 4.638 4.320 0.000 0.000 0.267 284 A C 1.544 179.052 177.584 -0.127 0.000 1.290 284 A CA -0.253 51.749 52.037 -0.057 0.000 0.928 284 A CB -0.149 18.839 19.000 -0.020 0.000 1.066 284 A HN 0.710 nan 8.150 nan 0.000 0.516 285 V N -1.220 118.514 119.914 -0.300 0.000 2.380 285 V HA -0.293 3.827 4.120 0.000 0.000 0.251 285 V C 1.971 177.802 176.094 -0.439 0.000 1.063 285 V CA 2.349 64.359 62.300 -0.482 0.000 1.055 285 V CB -0.626 30.717 31.823 -0.800 0.000 0.657 285 V HN 0.913 nan 8.190 nan 0.000 0.455 286 W N -1.030 120.266 121.300 -0.007 0.000 2.576 286 W HA 0.068 4.728 4.660 0.001 0.000 0.275 286 W C 2.173 178.690 176.519 -0.003 0.000 1.241 286 W CA 0.132 57.468 57.345 -0.015 0.000 1.328 286 W CB -0.313 29.133 29.460 -0.023 0.000 1.092 286 W HN 0.179 nan 8.180 nan 0.000 0.586 287 D N 0.728 121.233 120.400 0.175 0.000 2.144 287 D HA -0.197 4.443 4.640 0.000 0.000 0.200 287 D C 1.771 178.120 176.300 0.082 0.000 0.978 287 D CA 1.433 55.506 54.000 0.120 0.000 0.833 287 D CB -0.500 40.352 40.800 0.086 0.000 0.961 287 D HN 0.298 nan 8.370 nan 0.000 0.470 288 E N 0.660 120.882 120.200 0.037 0.000 2.033 288 E HA -0.230 4.120 4.350 0.000 0.000 0.199 288 E C 1.998 178.611 176.600 0.020 0.000 1.011 288 E CA 1.357 57.764 56.400 0.012 0.000 0.815 288 E CB -0.028 29.655 29.700 -0.027 0.000 0.755 288 E HN 0.168 nan 8.360 nan 0.000 0.451 289 A N 1.006 123.848 122.820 0.037 0.000 1.933 289 A HA -0.252 4.068 4.320 0.000 0.000 0.218 289 A C 2.067 179.671 177.584 0.033 0.000 1.175 289 A CA 1.763 53.830 52.037 0.049 0.000 0.628 289 A CB -0.620 18.442 19.000 0.103 0.000 0.814 289 A HN 0.475 nan 8.150 nan 0.000 0.444 290 E N -0.054 120.181 120.200 0.057 0.000 2.077 290 E HA -0.224 4.126 4.350 0.000 0.000 0.193 290 E C 1.415 177.978 176.600 -0.061 0.000 0.989 290 E CA 1.295 57.705 56.400 0.017 0.000 0.800 290 E CB -0.152 29.606 29.700 0.097 0.000 0.746 290 E HN 0.553 nan 8.360 nan 0.000 0.452 291 N N 0.655 119.379 118.700 0.041 0.000 2.453 291 N HA -0.104 4.636 4.740 0.000 0.000 0.183 291 N C 1.546 177.027 175.510 -0.048 0.000 1.041 291 N CA 0.409 53.503 53.050 0.073 0.000 0.900 291 N CB -0.190 38.355 38.487 0.097 0.000 0.961 291 N HN 0.118 nan 8.380 nan 0.000 0.443 292 R N 0.862 121.313 120.500 -0.082 0.000 2.113 292 R HA -0.151 4.189 4.340 0.000 0.000 0.244 292 R C 2.027 178.193 176.300 -0.222 0.000 1.142 292 R CA 0.736 56.758 56.100 -0.131 0.000 0.953 292 R CB -1.265 28.981 30.300 -0.091 0.000 0.860 292 R HN 0.274 nan 8.270 nan 0.000 0.438 293 L N 0.915 121.970 121.223 -0.279 0.000 1.990 293 L HA -0.206 4.134 4.340 0.000 0.000 0.213 293 L C 2.333 179.014 176.870 -0.316 0.000 1.072 293 L CA 1.985 56.615 54.840 -0.351 0.000 0.755 293 L CB -0.736 41.054 42.059 -0.449 0.000 0.889 293 L HN 0.249 nan 8.230 nan 0.000 0.432 294 H N -0.637 118.401 119.070 -0.054 0.000 2.395 294 H HA 0.130 4.686 4.556 0.000 0.000 0.299 294 H C 2.139 177.430 175.328 -0.061 0.000 1.070 294 H CA 1.217 57.239 56.048 -0.043 0.000 1.356 294 H CB -0.580 29.165 29.762 -0.027 0.000 1.401 294 H HN 0.514 nan 8.280 nan 0.000 0.524 295 A N 1.177 124.005 122.820 0.014 0.000 1.930 295 A HA -0.155 4.165 4.320 0.000 0.000 0.217 295 A C 2.347 179.881 177.584 -0.084 0.000 1.175 295 A CA 1.274 53.291 52.037 -0.034 0.000 0.627 295 A CB -0.353 18.618 19.000 -0.048 0.000 0.815 295 A HN 0.386 nan 8.150 nan 0.000 0.443 296 Q N -0.447 119.266 119.800 -0.145 0.000 2.172 296 Q HA -0.095 4.245 4.340 0.000 0.000 0.200 296 Q C 1.988 177.947 176.000 -0.069 0.000 0.964 296 Q CA 1.375 57.069 55.803 -0.183 0.000 0.855 296 Q CB -0.104 28.291 28.738 -0.570 0.000 0.918 296 Q HN 0.631 nan 8.270 nan 0.000 0.444 297 K N 0.598 120.966 120.400 -0.053 0.000 2.026 297 K HA -0.145 4.176 4.320 0.000 0.000 0.208 297 K C 2.126 178.748 176.600 0.037 0.000 1.048 297 K CA 1.295 57.592 56.287 0.018 0.000 0.929 297 K CB -0.230 32.290 32.500 0.035 0.000 0.713 297 K HN 0.143 nan 8.250 nan 0.000 0.439 298 A N 1.348 124.181 122.820 0.021 0.000 1.908 298 A HA -0.191 4.129 4.320 0.000 0.000 0.218 298 A C 2.133 179.734 177.584 0.029 0.000 1.181 298 A CA 1.422 53.473 52.037 0.024 0.000 0.627 298 A CB -0.642 18.351 19.000 -0.012 0.000 0.818 298 A HN 0.268 nan 8.150 nan 0.000 0.445 299 L N -0.652 120.551 121.223 -0.034 0.000 2.017 299 L HA -0.139 4.201 4.340 0.000 0.000 0.208 299 L C 2.227 179.144 176.870 0.077 0.000 1.073 299 L CA 1.591 56.389 54.840 -0.070 0.000 0.745 299 L CB -0.459 41.493 42.059 -0.179 0.000 0.894 299 L HN 0.279 nan 8.230 nan 0.000 0.432 300 L N -0.900 120.384 121.223 0.102 0.000 1.971 300 L HA -0.232 4.109 4.340 0.000 0.000 0.215 300 L C 2.675 179.618 176.870 0.122 0.000 1.072 300 L CA 1.860 56.779 54.840 0.132 0.000 0.758 300 L CB -1.369 40.773 42.059 0.139 0.000 0.889 300 L HN 0.181 nan 8.230 nan 0.000 0.433 301 V N -1.257 118.723 119.914 0.111 0.000 2.250 301 V HA -0.373 3.747 4.120 0.000 0.000 0.250 301 V C 2.204 178.372 176.094 0.123 0.000 1.060 301 V CA 2.411 64.771 62.300 0.100 0.000 1.030 301 V CB -0.831 31.047 31.823 0.092 0.000 0.643 301 V HN 0.631 nan 8.190 nan 0.000 0.445 302 W N 0.024 121.305 121.300 -0.031 0.000 2.355 302 W HA -0.162 4.498 4.660 0.000 0.000 0.309 302 W C 2.297 178.794 176.519 -0.037 0.000 1.206 302 W CA 1.784 59.105 57.345 -0.040 0.000 1.284 302 W CB -0.205 29.215 29.460 -0.066 0.000 1.145 302 W HN 0.135 nan 8.180 nan 0.000 0.502 303 L N -0.181 121.197 121.223 0.258 0.000 2.056 303 L HA -0.230 4.110 4.340 0.000 0.000 0.207 303 L C 2.469 179.322 176.870 -0.029 0.000 1.078 303 L CA 1.170 56.087 54.840 0.129 0.000 0.749 303 L CB -1.043 41.129 42.059 0.188 0.000 0.901 303 L HN 0.051 nan 8.230 nan 0.000 0.433 304 L N 0.035 121.261 121.223 0.004 0.000 2.083 304 L HA -0.218 4.122 4.340 0.000 0.000 0.209 304 L C 2.645 179.470 176.870 -0.075 0.000 1.083 304 L CA 1.538 56.366 54.840 -0.020 0.000 0.752 304 L CB -0.555 41.512 42.059 0.014 0.000 0.899 304 L HN 0.428 nan 8.230 nan 0.000 0.433 305 E N 0.299 120.429 120.200 -0.117 0.000 2.427 305 E HA -0.186 4.164 4.350 0.000 0.000 0.196 305 E C 1.732 178.198 176.600 -0.223 0.000 1.028 305 E CA 0.589 56.897 56.400 -0.153 0.000 0.864 305 E CB 0.055 29.670 29.700 -0.142 0.000 0.813 305 E HN 0.430 nan 8.360 nan 0.000 0.514 306 R N 0.286 120.610 120.500 -0.292 0.000 2.432 306 R HA 0.269 4.609 4.340 0.000 0.000 0.260 306 R C -0.213 175.967 176.300 -0.199 0.000 0.935 306 R CA -0.071 55.838 56.100 -0.319 0.000 1.080 306 R CB 0.947 30.912 30.300 -0.559 0.000 1.155 306 R HN -0.028 nan 8.270 nan 0.000 0.531 307 S N 0.000 115.615 115.700 -0.142 0.000 2.498 307 S HA 0.000 4.470 4.470 0.000 0.000 0.327 307 S CA 0.000 58.137 58.200 -0.105 0.000 1.107 307 S CB 0.000 63.144 63.200 -0.093 0.000 0.593 307 S HN 0.000 nan 8.310 nan 0.000 0.517