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 3iuz_1_A DATA FIRST_RESID 0 DATA SEQUENCE GXHPNIATLL SANLGESRTR HLLSLVSVPD GLPSDAEGRA TRAEIAQALN DATA SEQUENCE XVLFAGILDR VPTGRAYTDD VAATGGXVVF DHGALRTVXW RDNGALPEGE DATA SEQUENCE AAFTRILRPL GYRLNGNYPL DRISXTGRSY AHADAPEGIA QFFVSEFHPE DATA SEQUENCE RFSDAFREAV GRVTGNSADP LTPRAQTLLW QLDRDGVLTV ADGAELIGLL DATA SEQUENCE VPCFERQHGV PRLADYETLL RESAEXAWIA TEGNAFNHAT DRVDDVFGLS DATA SEQUENCE EQQXALGRPX XDXVEVSGSG RVXQTAFRAD TVRRQFIGAQ GETVERDVPG DATA SEQUENCE SFYEFITRDR FXXXXXXXXR VDLGFDAG 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 0 G HA2 0.000 nan 3.960 nan 0.000 0.244 0 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 0 G C 0.000 174.842 174.900 -0.097 0.000 0.946 0 G CA 0.000 45.087 45.100 -0.022 0.000 0.502 3 P HA -0.138 nan 4.420 nan 0.000 0.216 3 P C 1.306 178.634 177.300 0.047 0.000 1.153 3 P CA 1.096 64.218 63.100 0.036 0.000 0.848 3 P CB 0.432 32.139 31.700 0.012 0.000 0.787 4 N N -0.635 118.095 118.700 0.051 0.000 2.084 4 N HA -0.102 4.640 4.740 0.003 0.000 0.190 4 N C 1.730 177.267 175.510 0.045 0.000 1.030 4 N CA 1.074 54.150 53.050 0.043 0.000 0.849 4 N CB -0.879 37.630 38.487 0.037 0.000 1.012 4 N HN 0.133 nan 8.380 nan 0.000 0.423 5 I N 0.636 121.241 120.570 0.059 0.000 2.286 5 I HA -0.232 3.940 4.170 0.003 0.000 0.248 5 I C 2.168 178.311 176.117 0.044 0.000 1.115 5 I CA 0.952 62.277 61.300 0.042 0.000 1.392 5 I CB -0.223 37.790 38.000 0.021 0.000 1.065 5 I HN 0.086 nan 8.210 nan 0.000 0.418 6 A N 0.252 123.107 122.820 0.059 0.000 1.902 6 A HA -0.208 4.113 4.320 0.003 0.000 0.217 6 A C 2.385 179.991 177.584 0.038 0.000 1.181 6 A CA 2.468 54.534 52.037 0.048 0.000 0.623 6 A CB -1.100 17.931 19.000 0.052 0.000 0.818 6 A HN 0.384 nan 8.150 nan 0.000 0.443 7 T N 0.610 115.185 114.554 0.035 0.000 2.708 7 T HA -0.089 4.263 4.350 0.003 0.000 0.266 7 T C 1.822 176.540 174.700 0.031 0.000 1.037 7 T CA 1.477 63.595 62.100 0.030 0.000 1.146 7 T CB -0.427 68.457 68.868 0.027 0.000 0.865 7 T HN 0.369 nan 8.240 nan 0.000 0.435 8 L N 0.444 121.686 121.223 0.032 0.000 2.042 8 L HA -0.080 4.261 4.340 0.003 0.000 0.210 8 L C 2.548 179.440 176.870 0.036 0.000 1.076 8 L CA 1.178 56.039 54.840 0.034 0.000 0.749 8 L CB -0.679 41.401 42.059 0.034 0.000 0.893 8 L HN 0.251 nan 8.230 nan 0.000 0.432 9 L N -1.202 120.042 121.223 0.036 0.000 2.017 9 L HA -0.223 4.118 4.340 0.003 0.000 0.208 9 L C 2.836 179.727 176.870 0.035 0.000 1.073 9 L CA 1.403 56.265 54.840 0.037 0.000 0.745 9 L CB -0.566 41.514 42.059 0.034 0.000 0.894 9 L HN 0.233 nan 8.230 nan 0.000 0.432 10 S N -0.465 115.255 115.700 0.033 0.000 2.382 10 S HA -0.161 4.310 4.470 0.003 0.000 0.228 10 S C 2.036 176.652 174.600 0.028 0.000 1.027 10 S CA 1.228 59.446 58.200 0.030 0.000 0.991 10 S CB -0.073 63.143 63.200 0.027 0.000 0.823 10 S HN 0.459 nan 8.310 nan 0.000 0.469 11 A N 1.309 124.146 122.820 0.029 0.000 2.015 11 A HA -0.005 4.317 4.320 0.003 0.000 0.219 11 A C 1.957 179.559 177.584 0.030 0.000 1.163 11 A CA 1.256 53.310 52.037 0.028 0.000 0.646 11 A CB -0.367 18.650 19.000 0.028 0.000 0.806 11 A HN 0.631 nan 8.150 nan 0.000 0.448 12 N N -1.051 117.670 118.700 0.034 0.000 2.414 12 N HA 0.179 4.921 4.740 0.003 0.000 0.177 12 N C 1.173 176.703 175.510 0.034 0.000 1.062 12 N CA 0.628 53.700 53.050 0.037 0.000 0.890 12 N CB 0.303 38.817 38.487 0.045 0.000 1.070 12 N HN 0.412 nan 8.380 nan 0.000 0.454 13 L N -0.123 121.120 121.223 0.032 0.000 2.701 13 L HA 0.310 4.652 4.340 0.003 0.000 0.238 13 L C 0.721 177.606 176.870 0.026 0.000 1.106 13 L CA -0.089 54.769 54.840 0.031 0.000 0.898 13 L CB 0.430 42.512 42.059 0.038 0.000 1.188 13 L HN 0.030 nan 8.230 nan 0.000 0.508 14 G N 0.394 109.209 108.800 0.025 0.000 2.814 14 G HA2 -0.249 3.713 3.960 0.003 0.000 0.677 14 G HA3 -0.249 3.713 3.960 0.003 0.000 0.677 14 G C 0.219 175.134 174.900 0.025 0.000 1.429 14 G CA -0.073 45.040 45.100 0.021 0.000 0.868 14 G HN -0.043 nan 8.290 nan 0.000 0.553 15 E N -0.459 119.753 120.200 0.022 0.000 2.077 15 E HA -0.114 4.237 4.350 0.003 0.000 0.193 15 E C 3.022 179.640 176.600 0.030 0.000 0.989 15 E CA 2.249 58.664 56.400 0.024 0.000 0.800 15 E CB -0.425 29.286 29.700 0.019 0.000 0.746 15 E HN 1.197 nan 8.360 nan 0.000 0.452 16 S N 0.215 115.930 115.700 0.025 0.000 2.355 16 S HA -0.179 4.292 4.470 0.003 0.000 0.222 16 S C 2.169 176.799 174.600 0.050 0.000 1.031 16 S CA 1.118 59.334 58.200 0.028 0.000 0.993 16 S CB -0.248 62.958 63.200 0.010 0.000 0.859 16 S HN 0.125 nan 8.310 nan 0.000 0.453 17 R N 0.631 121.158 120.500 0.045 0.000 2.096 17 R HA -0.014 4.328 4.340 0.003 0.000 0.235 17 R C 2.310 178.669 176.300 0.098 0.000 1.127 17 R CA 1.808 57.951 56.100 0.071 0.000 0.968 17 R CB -1.592 28.735 30.300 0.045 0.000 0.861 17 R HN 0.511 nan 8.270 nan 0.000 0.440 18 T N 0.454 115.048 114.554 0.066 0.000 2.737 18 T HA -0.066 4.285 4.350 0.003 0.000 0.265 18 T C 1.908 176.643 174.700 0.058 0.000 1.038 18 T CA 0.988 63.122 62.100 0.056 0.000 1.144 18 T CB -0.060 68.834 68.868 0.042 0.000 0.866 18 T HN 0.298 nan 8.240 nan 0.000 0.434 19 R N -0.128 120.409 120.500 0.062 0.000 2.096 19 R HA -0.176 4.166 4.340 0.003 0.000 0.240 19 R C 2.424 178.772 176.300 0.081 0.000 1.139 19 R CA 1.978 58.115 56.100 0.061 0.000 0.952 19 R CB -0.456 29.877 30.300 0.055 0.000 0.854 19 R HN 0.530 nan 8.270 nan 0.000 0.436 20 H N 0.382 119.459 119.070 0.012 0.000 2.321 20 H HA -0.108 4.450 4.556 0.003 0.000 0.300 20 H C 1.858 177.199 175.328 0.022 0.000 1.087 20 H CA 1.548 57.603 56.048 0.011 0.000 1.319 20 H CB -0.201 29.564 29.762 0.006 0.000 1.379 20 H HN 0.051 nan 8.280 nan 0.000 0.501 21 L N 0.070 121.270 121.223 -0.038 0.000 2.046 21 L HA -0.098 4.243 4.340 0.003 0.000 0.208 21 L C 2.195 179.009 176.870 -0.094 0.000 1.077 21 L CA 1.433 56.219 54.840 -0.090 0.000 0.747 21 L CB -0.580 41.495 42.059 0.026 0.000 0.896 21 L HN 0.408 nan 8.230 nan 0.000 0.432 22 L N -1.293 119.906 121.223 -0.040 0.000 2.217 22 L HA -0.116 4.225 4.340 0.003 0.000 0.211 22 L C 2.495 179.346 176.870 -0.032 0.000 1.107 22 L CA 1.146 55.975 54.840 -0.019 0.000 0.783 22 L CB -0.561 41.513 42.059 0.024 0.000 0.919 22 L HN 0.440 nan 8.230 nan 0.000 0.442 23 S N -0.499 115.168 115.700 -0.055 0.000 2.461 23 S HA -0.094 4.377 4.470 0.003 0.000 0.228 23 S C 1.746 176.290 174.600 -0.092 0.000 1.005 23 S CA 0.434 58.603 58.200 -0.052 0.000 0.942 23 S CB -0.096 63.086 63.200 -0.031 0.000 0.776 23 S HN 0.304 nan 8.310 nan 0.000 0.514 24 L N 1.606 122.729 121.223 -0.168 0.000 2.200 24 L HA 0.456 4.797 4.340 0.003 0.000 0.200 24 L C 0.204 177.009 176.870 -0.110 0.000 1.072 24 L CA 0.889 55.629 54.840 -0.167 0.000 0.787 24 L CB -0.026 41.860 42.059 -0.289 0.000 0.957 24 L HN 0.196 nan 8.230 nan 0.000 0.459 25 V N 1.093 120.925 119.914 -0.136 0.000 2.350 25 V HA 0.336 4.458 4.120 0.003 0.000 0.276 25 V C 0.385 176.403 176.094 -0.127 0.000 1.028 25 V CA -0.649 61.545 62.300 -0.177 0.000 0.860 25 V CB 0.781 32.436 31.823 -0.279 0.000 0.990 25 V HN 0.247 nan 8.190 nan 0.000 0.453 26 S N 3.797 119.437 115.700 -0.100 0.000 2.560 26 S HA 0.256 4.727 4.470 0.003 0.000 0.284 26 S C 0.037 174.559 174.600 -0.130 0.000 1.327 26 S CA -0.328 57.824 58.200 -0.080 0.000 1.055 26 S CB 1.046 64.219 63.200 -0.045 0.000 0.868 26 S HN 0.493 nan 8.310 nan 0.000 0.506 27 V N 6.274 126.067 119.914 -0.201 0.000 2.407 27 V HA 0.306 4.428 4.120 0.003 0.000 0.278 27 V C -1.811 174.145 176.094 -0.230 0.000 1.037 27 V CA -1.881 60.214 62.300 -0.341 0.000 0.900 27 V CB 0.957 32.255 31.823 -0.875 0.000 0.983 27 V HN 0.706 nan 8.190 nan 0.000 0.459 28 P HA 0.154 nan 4.420 nan 0.000 0.269 28 P C -0.663 176.613 177.300 -0.041 0.000 1.209 28 P CA -0.238 62.818 63.100 -0.074 0.000 0.776 28 P CB 0.656 32.319 31.700 -0.062 0.000 0.876 29 D N 0.586 120.994 120.400 0.013 0.000 2.329 29 D HA 0.330 4.971 4.640 0.003 0.000 0.246 29 D C 1.460 177.779 176.300 0.031 0.000 1.111 29 D CA 0.743 54.774 54.000 0.053 0.000 0.941 29 D CB 0.487 41.319 40.800 0.053 0.000 1.169 29 D HN 0.669 nan 8.370 nan 0.000 0.441 30 G N 0.644 109.469 108.800 0.041 0.000 2.143 30 G HA2 -0.249 3.713 3.960 0.003 0.000 0.249 30 G HA3 -0.249 3.713 3.960 0.003 0.000 0.249 30 G C 0.281 175.191 174.900 0.016 0.000 0.981 30 G CA -0.217 44.899 45.100 0.026 0.000 0.665 30 G HN 0.412 nan 8.290 nan 0.000 0.528 31 L N 1.210 122.440 121.223 0.011 0.000 2.453 31 L HA 0.300 4.642 4.340 0.003 0.000 0.272 31 L C -1.201 175.673 176.870 0.007 0.000 1.182 31 L CA -1.718 53.117 54.840 -0.009 0.000 0.858 31 L CB 0.125 42.163 42.059 -0.034 0.000 1.120 31 L HN -0.047 nan 8.230 nan 0.000 0.474 32 P HA -0.021 nan 4.420 nan 0.000 0.264 32 P C -0.696 176.613 177.300 0.014 0.000 1.179 32 P CA 0.080 63.188 63.100 0.014 0.000 0.763 32 P CB 0.490 32.201 31.700 0.019 0.000 0.806 33 S N 0.288 115.998 115.700 0.017 0.000 2.599 33 S HA 0.611 5.082 4.470 0.003 0.000 0.294 33 S C -1.117 173.493 174.600 0.016 0.000 1.094 33 S CA -0.885 57.325 58.200 0.018 0.000 0.931 33 S CB 1.984 65.195 63.200 0.019 0.000 1.093 33 S HN 0.409 nan 8.310 nan 0.000 0.488 34 D N -0.134 120.275 120.400 0.016 0.000 2.248 34 D HA 0.668 5.309 4.640 0.003 0.000 0.246 34 D C 0.957 177.265 176.300 0.013 0.000 1.027 34 D CA -0.439 53.570 54.000 0.015 0.000 0.853 34 D CB 1.718 42.527 40.800 0.016 0.000 1.243 34 D HN 0.623 nan 8.370 nan 0.000 0.462 35 A N 3.081 125.908 122.820 0.012 0.000 2.019 35 A HA -0.108 4.214 4.320 0.003 0.000 0.219 35 A C 1.447 179.037 177.584 0.010 0.000 1.164 35 A CA 1.165 53.209 52.037 0.011 0.000 0.644 35 A CB -0.329 18.677 19.000 0.010 0.000 0.805 35 A HN 0.758 nan 8.150 nan 0.000 0.449 36 E N -1.647 118.559 120.200 0.011 0.000 2.463 36 E HA 0.298 4.649 4.350 0.003 0.000 0.193 36 E C 1.083 177.690 176.600 0.012 0.000 1.041 36 E CA 0.221 56.628 56.400 0.011 0.000 0.879 36 E CB 0.029 29.736 29.700 0.012 0.000 0.997 36 E HN 0.692 nan 8.360 nan 0.000 0.478 37 G N 2.192 111.000 108.800 0.012 0.000 2.179 37 G HA2 -0.338 3.623 3.960 0.003 0.000 0.260 37 G HA3 -0.338 3.623 3.960 0.003 0.000 0.260 37 G C 0.395 175.304 174.900 0.015 0.000 0.977 37 G CA 0.097 45.205 45.100 0.013 0.000 0.641 37 G HN 0.195 nan 8.290 nan 0.000 0.533 38 R N 0.400 120.910 120.500 0.015 0.000 2.905 38 R HA 0.483 4.824 4.340 0.003 0.000 0.273 38 R C 0.775 177.086 176.300 0.018 0.000 1.033 38 R CA 0.431 56.541 56.100 0.017 0.000 1.182 38 R CB 0.263 30.573 30.300 0.017 0.000 1.097 38 R HN 0.627 nan 8.270 nan 0.000 0.504 39 A N 1.253 124.084 122.820 0.018 0.000 2.260 39 A HA 0.268 4.590 4.320 0.003 0.000 0.308 39 A C 0.265 177.859 177.584 0.016 0.000 1.254 39 A CA -0.655 51.392 52.037 0.018 0.000 0.874 39 A CB 0.433 19.445 19.000 0.020 0.000 1.153 39 A HN 0.732 nan 8.150 nan 0.000 0.527 40 T N 0.066 114.628 114.554 0.014 0.000 2.828 40 T HA 0.255 4.607 4.350 0.003 0.000 0.290 40 T C 1.370 176.077 174.700 0.013 0.000 1.019 40 T CA 0.061 62.170 62.100 0.014 0.000 1.031 40 T CB 0.611 69.486 68.868 0.012 0.000 1.001 40 T HN 0.787 nan 8.240 nan 0.000 0.531 41 R N 0.892 121.407 120.500 0.026 0.000 2.096 41 R HA -0.032 4.310 4.340 0.003 0.000 0.235 41 R C 2.383 178.694 176.300 0.018 0.000 1.127 41 R CA 1.301 57.429 56.100 0.046 0.000 0.968 41 R CB -1.220 29.125 30.300 0.075 0.000 0.861 41 R HN 0.665 nan 8.270 nan 0.000 0.440 42 A N 1.803 124.601 122.820 -0.037 0.000 1.865 42 A HA -0.207 4.115 4.320 0.003 0.000 0.217 42 A C 2.041 179.517 177.584 -0.180 0.000 1.191 42 A CA 1.746 53.632 52.037 -0.251 0.000 0.623 42 A CB -0.510 18.392 19.000 -0.163 0.000 0.826 42 A HN 0.558 nan 8.150 nan 0.000 0.444 43 E N -0.424 119.730 120.200 -0.077 0.000 2.085 43 E HA -0.190 4.162 4.350 0.003 0.000 0.194 43 E C 1.891 178.477 176.600 -0.023 0.000 0.994 43 E CA 1.406 57.780 56.400 -0.043 0.000 0.801 43 E CB -0.334 29.361 29.700 -0.008 0.000 0.743 43 E HN 0.709 nan 8.360 nan 0.000 0.453 44 I N 0.976 121.544 120.570 -0.004 0.000 2.252 44 I HA -0.260 3.912 4.170 0.003 0.000 0.245 44 I C 2.519 178.668 176.117 0.053 0.000 1.102 44 I CA 0.936 62.253 61.300 0.029 0.000 1.385 44 I CB -0.258 37.764 38.000 0.037 0.000 1.064 44 I HN 0.090 nan 8.210 nan 0.000 0.414 45 A N 0.143 122.983 122.820 0.034 0.000 1.902 45 A HA -0.295 4.027 4.320 0.003 0.000 0.217 45 A C 2.238 179.885 177.584 0.105 0.000 1.181 45 A CA 2.043 54.149 52.037 0.115 0.000 0.623 45 A CB -0.650 18.360 19.000 0.016 0.000 0.818 45 A HN 0.430 nan 8.150 nan 0.000 0.443 46 Q N -0.035 119.755 119.800 -0.016 0.000 2.084 46 Q HA -0.027 4.315 4.340 0.003 0.000 0.202 46 Q C 2.021 178.039 176.000 0.030 0.000 0.978 46 Q CA 2.304 58.101 55.803 -0.010 0.000 0.844 46 Q CB -0.623 28.066 28.738 -0.081 0.000 0.898 46 Q HN 0.534 nan 8.270 nan 0.000 0.426 47 A N 0.268 123.104 122.820 0.027 0.000 1.898 47 A HA -0.121 4.200 4.320 0.003 0.000 0.216 47 A C 2.039 179.665 177.584 0.071 0.000 1.181 47 A CA 1.431 53.492 52.037 0.039 0.000 0.620 47 A CB -0.970 18.051 19.000 0.035 0.000 0.819 47 A HN 0.499 nan 8.150 nan 0.000 0.442 48 L N 0.535 121.818 121.223 0.100 0.000 2.013 48 L HA -0.141 4.200 4.340 0.003 0.000 0.212 48 L C 0.850 177.795 176.870 0.125 0.000 1.073 48 L CA 1.482 56.397 54.840 0.126 0.000 0.753 48 L CB -0.978 41.186 42.059 0.175 0.000 0.890 48 L HN 0.328 nan 8.230 nan 0.000 0.432 52 L N -0.232 120.985 121.223 -0.009 0.000 2.056 52 L HA -0.083 4.258 4.340 0.003 0.000 0.207 52 L C 2.272 179.019 176.870 -0.206 0.000 1.078 52 L CA 2.362 57.150 54.840 -0.086 0.000 0.749 52 L CB -0.449 41.510 42.059 -0.167 0.000 0.901 52 L HN 0.492 nan 8.230 nan 0.000 0.433 53 F N 1.100 120.803 119.950 -0.412 0.000 2.095 53 F HA -0.289 4.240 4.527 0.003 0.000 0.298 53 F C 2.477 178.092 175.800 -0.309 0.000 1.104 53 F CA 1.460 59.107 58.000 -0.588 0.000 1.232 53 F CB -0.290 38.163 39.000 -0.912 0.000 0.987 53 F HN 0.010 nan 8.300 nan 0.000 0.475 54 A N 0.170 122.920 122.820 -0.118 0.000 1.940 54 A HA -0.098 4.224 4.320 0.003 0.000 0.219 54 A C 2.478 179.971 177.584 -0.152 0.000 1.176 54 A CA 1.728 53.697 52.037 -0.113 0.000 0.631 54 A CB -1.832 17.174 19.000 0.009 0.000 0.814 54 A HN 0.531 nan 8.150 nan 0.000 0.446 55 G N -0.105 108.624 108.800 -0.119 0.000 2.422 55 G HA2 -0.155 3.806 3.960 0.003 0.000 0.218 55 G HA3 -0.155 3.806 3.960 0.003 0.000 0.218 55 G C 1.500 176.329 174.900 -0.118 0.000 1.146 55 G CA 1.090 46.145 45.100 -0.075 0.000 0.769 55 G HN 0.487 nan 8.290 nan 0.000 0.547 56 I N 0.441 120.874 120.570 -0.228 0.000 2.179 56 I HA -0.122 4.050 4.170 0.003 0.000 0.242 56 I C 2.671 178.637 176.117 -0.251 0.000 1.088 56 I CA 0.673 61.828 61.300 -0.241 0.000 1.357 56 I CB -0.188 37.588 38.000 -0.374 0.000 1.051 56 I HN 0.104 nan 8.210 nan 0.000 0.409 57 L N 0.247 121.242 121.223 -0.379 0.000 2.079 57 L HA -0.255 4.087 4.340 0.003 0.000 0.210 57 L C 1.975 178.752 176.870 -0.155 0.000 1.081 57 L CA 1.188 55.860 54.840 -0.281 0.000 0.752 57 L CB -0.802 41.076 42.059 -0.302 0.000 0.896 57 L HN 0.303 nan 8.230 nan 0.000 0.433 58 D N 0.241 120.565 120.400 -0.125 0.000 2.263 58 D HA -0.153 4.489 4.640 0.003 0.000 0.208 58 D C 1.858 178.120 176.300 -0.064 0.000 0.971 58 D CA 1.073 55.025 54.000 -0.080 0.000 0.867 58 D CB 0.023 40.788 40.800 -0.058 0.000 0.929 58 D HN 0.518 nan 8.370 nan 0.000 0.492 59 R N -0.517 119.948 120.500 -0.060 0.000 2.565 59 R HA 0.257 4.598 4.340 0.003 0.000 0.347 59 R C -0.561 175.730 176.300 -0.015 0.000 1.010 59 R CA -0.057 56.025 56.100 -0.031 0.000 1.126 59 R CB 0.514 30.805 30.300 -0.015 0.000 1.331 59 R HN -0.163 nan 8.270 nan 0.000 0.552 60 V N 3.066 122.956 119.914 -0.039 0.000 2.313 60 V HA 0.263 4.385 4.120 0.003 0.000 0.262 60 V C -1.780 174.269 176.094 -0.074 0.000 1.011 60 V CA -1.523 60.765 62.300 -0.021 0.000 0.858 60 V CB 1.521 33.348 31.823 0.006 0.000 1.104 60 V HN 0.041 nan 8.190 nan 0.000 0.456 61 P HA -0.121 nan 4.420 nan 0.000 0.219 61 P C 1.494 178.697 177.300 -0.162 0.000 1.146 61 P CA 1.315 64.355 63.100 -0.101 0.000 0.808 61 P CB 0.224 31.881 31.700 -0.072 0.000 0.779 62 T N -0.721 113.711 114.554 -0.204 0.000 2.821 62 T HA -0.038 4.313 4.350 0.003 0.000 0.267 62 T C 2.127 176.500 174.700 -0.545 0.000 1.046 62 T CA 1.617 63.472 62.100 -0.410 0.000 1.139 62 T CB -1.057 67.522 68.868 -0.482 0.000 0.871 62 T HN 0.192 nan 8.240 nan 0.000 0.454 63 G N 1.341 109.913 108.800 -0.379 0.000 2.421 63 G HA2 -0.238 3.723 3.960 0.003 0.000 0.216 63 G HA3 -0.238 3.723 3.960 0.003 0.000 0.216 63 G C 1.586 176.267 174.900 -0.364 0.000 1.171 63 G CA 0.679 45.480 45.100 -0.498 0.000 0.775 63 G HN 0.393 nan 8.290 nan 0.000 0.543 64 R N 0.449 120.815 120.500 -0.224 0.000 2.091 64 R HA -0.018 4.323 4.340 0.003 0.000 0.238 64 R C 2.895 179.118 176.300 -0.127 0.000 1.136 64 R CA 1.515 57.529 56.100 -0.144 0.000 0.959 64 R CB -0.353 29.875 30.300 -0.120 0.000 0.856 64 R HN 0.311 nan 8.270 nan 0.000 0.437 65 A N -0.035 122.692 122.820 -0.155 0.000 1.858 65 A HA -0.244 4.077 4.320 0.003 0.000 0.216 65 A C 2.018 179.549 177.584 -0.089 0.000 1.190 65 A CA 1.539 53.503 52.037 -0.121 0.000 0.617 65 A CB -1.033 17.881 19.000 -0.143 0.000 0.827 65 A HN 0.601 nan 8.150 nan 0.000 0.443 66 Y N 1.870 122.045 120.300 -0.208 0.000 2.097 66 Y HA -0.276 4.276 4.550 0.003 0.000 0.282 66 Y C 2.917 178.791 175.900 -0.044 0.000 1.152 66 Y CA 2.909 60.959 58.100 -0.083 0.000 1.136 66 Y CB -0.789 37.645 38.460 -0.043 0.000 0.975 66 Y HN 0.447 nan 8.280 nan 0.000 0.498 67 T N -2.719 111.736 114.554 -0.165 0.000 2.904 67 T HA -0.129 4.222 4.350 0.003 0.000 0.267 67 T C 1.553 176.203 174.700 -0.083 0.000 1.059 67 T CA 1.285 63.313 62.100 -0.120 0.000 1.137 67 T CB -0.511 68.407 68.868 0.083 0.000 0.879 67 T HN 0.275 nan 8.240 nan 0.000 0.467 68 D N 1.892 122.262 120.400 -0.050 0.000 2.123 68 D HA -0.093 4.548 4.640 0.003 0.000 0.196 68 D C 1.872 178.134 176.300 -0.064 0.000 0.992 68 D CA 1.253 55.244 54.000 -0.016 0.000 0.833 68 D CB -0.465 40.310 40.800 -0.043 0.000 0.954 68 D HN 0.391 nan 8.370 nan 0.000 0.455 69 D N -0.220 120.100 120.400 -0.134 0.000 2.117 69 D HA -0.089 4.552 4.640 0.003 0.000 0.197 69 D C 2.297 178.497 176.300 -0.168 0.000 0.987 69 D CA 0.317 54.233 54.000 -0.140 0.000 0.829 69 D CB -0.278 40.427 40.800 -0.158 0.000 0.961 69 D HN 0.063 nan 8.370 nan 0.000 0.460 70 V N 1.419 121.170 119.914 -0.273 0.000 2.255 70 V HA -0.271 3.850 4.120 0.003 0.000 0.247 70 V C 2.535 178.574 176.094 -0.091 0.000 1.051 70 V CA 1.967 64.143 62.300 -0.205 0.000 1.018 70 V CB -0.893 30.784 31.823 -0.243 0.000 0.641 70 V HN 0.202 nan 8.190 nan 0.000 0.445 71 A N -0.028 122.757 122.820 -0.058 0.000 1.883 71 A HA -0.165 4.157 4.320 0.003 0.000 0.217 71 A C 2.424 180.004 177.584 -0.006 0.000 1.186 71 A CA 2.282 54.310 52.037 -0.014 0.000 0.624 71 A CB -0.899 18.140 19.000 0.066 0.000 0.822 71 A HN 0.612 nan 8.150 nan 0.000 0.444 72 A N -0.562 122.250 122.820 -0.014 0.000 1.978 72 A HA -0.075 4.247 4.320 0.003 0.000 0.220 72 A C 2.151 179.724 177.584 -0.018 0.000 1.170 72 A CA 2.308 54.337 52.037 -0.013 0.000 0.636 72 A CB -1.036 17.951 19.000 -0.022 0.000 0.810 72 A HN 0.851 nan 8.150 nan 0.000 0.448 73 T N -4.800 109.736 114.554 -0.030 0.000 3.145 73 T HA 0.441 4.793 4.350 0.003 0.000 0.255 73 T C 1.180 175.869 174.700 -0.018 0.000 1.039 73 T CA 0.915 63.001 62.100 -0.024 0.000 0.928 73 T CB 0.107 68.957 68.868 -0.031 0.000 1.029 73 T HN 1.668 nan 8.240 nan 0.000 0.554 74 G N 0.601 109.390 108.800 -0.017 0.000 2.153 74 G HA2 -0.092 3.869 3.960 0.003 0.000 0.252 74 G HA3 -0.092 3.869 3.960 0.003 0.000 0.252 74 G C 0.477 175.371 174.900 -0.010 0.000 0.994 74 G CA -0.164 44.929 45.100 -0.011 0.000 0.698 74 G HN 1.024 nan 8.290 nan 0.000 0.521 78 V N 5.237 125.163 119.914 0.020 0.000 2.311 78 V HA 0.399 4.521 4.120 0.003 0.000 0.275 78 V C -0.237 175.860 176.094 0.004 0.000 1.022 78 V CA -0.434 61.862 62.300 -0.007 0.000 0.830 78 V CB 1.259 33.093 31.823 0.018 0.000 1.012 78 V HN 0.693 nan 8.190 nan 0.000 0.452 79 F N 4.415 124.195 119.950 -0.284 0.000 2.487 79 F HA 0.190 4.719 4.527 0.002 0.000 0.364 79 F C 1.025 176.713 175.800 -0.187 0.000 1.126 79 F CA -0.702 57.087 58.000 -0.352 0.000 1.135 79 F CB 0.595 39.296 39.000 -0.498 0.000 1.127 79 F HN 0.685 nan 8.300 nan 0.000 0.559 80 D N 3.506 123.879 120.400 -0.046 0.000 2.144 80 D HA -0.046 4.596 4.640 0.003 0.000 0.207 80 D C 0.012 176.234 176.300 -0.131 0.000 0.970 80 D CA 1.251 55.210 54.000 -0.069 0.000 0.853 80 D CB 0.184 41.017 40.800 0.055 0.000 1.007 80 D HN 0.641 nan 8.370 nan 0.000 0.469 81 H N -2.661 116.197 119.070 -0.353 0.000 3.094 81 H HA 0.486 5.043 4.556 0.002 0.000 0.346 81 H C -0.840 174.270 175.328 -0.363 0.000 1.238 81 H CA -0.927 54.880 56.048 -0.402 0.000 1.209 81 H CB 0.629 30.426 29.762 0.060 0.000 1.911 81 H HN 0.069 nan 8.280 nan 0.000 0.540 82 G N 0.263 108.807 108.800 -0.427 0.000 2.371 82 G HA2 0.616 4.578 3.960 0.003 0.000 0.326 82 G HA3 0.616 4.578 3.960 0.003 0.000 0.326 82 G C -0.953 174.043 174.900 0.160 0.000 1.127 82 G CA -0.256 44.731 45.100 -0.187 0.000 0.885 82 G HN 0.799 nan 8.290 nan 0.000 0.477 83 A N 1.519 124.360 122.820 0.035 0.000 2.331 83 A HA 0.825 5.146 4.320 0.003 0.000 0.320 83 A C -0.336 177.233 177.584 -0.026 0.000 1.138 83 A CA -0.610 51.403 52.037 -0.040 0.000 0.790 83 A CB 0.986 19.697 19.000 -0.482 0.000 1.206 83 A HN 1.430 nan 8.150 nan 0.000 0.470 84 L N -0.420 120.769 121.223 -0.056 0.000 2.327 84 L HA 0.916 5.258 4.340 0.003 0.000 0.258 84 L C -0.424 176.409 176.870 -0.061 0.000 1.024 84 L CA -1.062 53.675 54.840 -0.171 0.000 0.825 84 L CB 1.823 43.567 42.059 -0.526 0.000 1.386 84 L HN 0.632 nan 8.230 nan 0.000 0.417 85 R N -0.238 120.267 120.500 0.008 0.000 2.803 85 R HA 0.831 5.173 4.340 0.003 0.000 0.276 85 R C -1.005 175.361 176.300 0.110 0.000 0.978 85 R CA -0.475 55.684 56.100 0.099 0.000 0.939 85 R CB 2.370 32.785 30.300 0.192 0.000 1.179 85 R HN 0.952 nan 8.270 nan 0.000 0.472 86 T N -2.138 112.499 114.554 0.138 0.000 2.883 86 T HA 0.619 4.970 4.350 0.003 0.000 0.296 86 T C -0.309 174.501 174.700 0.182 0.000 1.117 86 T CA -0.704 61.497 62.100 0.169 0.000 1.006 86 T CB 1.529 70.504 68.868 0.178 0.000 1.191 86 T HN 0.176 nan 8.240 nan 0.000 0.508 90 R N 1.596 121.858 120.500 -0.398 0.000 2.148 90 R HA -0.108 4.233 4.340 0.003 0.000 0.227 90 R C 0.706 176.881 176.300 -0.210 0.000 1.103 90 R CA 1.587 57.518 56.100 -0.281 0.000 0.983 90 R CB -0.135 29.951 30.300 -0.357 0.000 0.874 90 R HN 0.181 nan 8.270 nan 0.000 0.451 91 D N 0.039 120.270 120.400 -0.282 0.000 2.619 91 D HA 0.026 4.668 4.640 0.003 0.000 0.224 91 D C -0.634 175.745 176.300 0.131 0.000 1.133 91 D CA 0.064 54.047 54.000 -0.029 0.000 1.017 91 D CB -0.216 40.611 40.800 0.044 0.000 1.077 91 D HN 0.064 nan 8.370 nan 0.000 0.503 92 N N 1.024 119.771 118.700 0.078 0.000 2.291 92 N HA 0.248 4.990 4.740 0.003 0.000 0.244 92 N C 0.801 176.347 175.510 0.059 0.000 1.216 92 N CA 0.413 53.524 53.050 0.102 0.000 0.879 92 N CB 0.620 39.170 38.487 0.105 0.000 1.167 92 N HN 0.401 nan 8.380 nan 0.000 0.515 93 G N 1.199 110.023 108.800 0.041 0.000 2.583 93 G HA2 -0.345 3.617 3.960 0.003 0.000 0.292 93 G HA3 -0.345 3.617 3.960 0.003 0.000 0.292 93 G C 0.779 175.684 174.900 0.008 0.000 1.203 93 G CA 0.358 45.472 45.100 0.024 0.000 0.987 93 G HN 0.563 nan 8.290 nan 0.000 0.554 94 A N -0.778 122.043 122.820 0.001 0.000 2.251 94 A HA 0.625 4.947 4.320 0.003 0.000 0.209 94 A C 0.914 178.483 177.584 -0.026 0.000 1.187 94 A CA 1.270 53.299 52.037 -0.014 0.000 0.823 94 A CB -0.003 18.985 19.000 -0.019 0.000 0.846 94 A HN 1.373 nan 8.150 nan 0.000 0.486 95 L N 1.294 122.508 121.223 -0.016 0.000 2.264 95 L HA 0.472 4.813 4.340 0.003 0.000 0.289 95 L C -2.520 174.335 176.870 -0.025 0.000 1.044 95 L CA -2.266 52.554 54.840 -0.034 0.000 0.807 95 L CB 0.891 42.942 42.059 -0.013 0.000 1.192 95 L HN -0.072 nan 8.230 nan 0.000 0.425 96 P HA 0.011 nan 4.420 nan 0.000 0.267 96 P C -1.018 176.283 177.300 0.002 0.000 1.201 96 P CA 0.017 63.097 63.100 -0.033 0.000 0.775 96 P CB 0.339 32.003 31.700 -0.061 0.000 0.854 97 E N 0.979 121.195 120.200 0.027 0.000 2.354 97 E HA 0.343 4.694 4.350 0.003 0.000 0.269 97 E C 1.227 177.879 176.600 0.087 0.000 1.036 97 E CA 0.039 56.483 56.400 0.073 0.000 0.876 97 E CB 0.149 29.894 29.700 0.074 0.000 1.009 97 E HN 0.659 nan 8.360 nan 0.000 0.416 98 G N 3.291 112.166 108.800 0.125 0.000 2.614 98 G HA2 -0.460 3.501 3.960 0.003 0.000 0.303 98 G HA3 -0.460 3.501 3.960 0.003 0.000 0.303 98 G C 0.851 175.822 174.900 0.118 0.000 1.270 98 G CA 0.865 46.041 45.100 0.127 0.000 0.988 98 G HN 0.831 nan 8.290 nan 0.000 0.551 99 E N 0.568 120.834 120.200 0.110 0.000 2.338 99 E HA 0.294 4.646 4.350 0.003 0.000 0.197 99 E C 2.560 179.196 176.600 0.060 0.000 1.007 99 E CA 1.686 58.152 56.400 0.110 0.000 0.849 99 E CB -0.342 29.418 29.700 0.099 0.000 0.774 99 E HN 1.149 nan 8.360 nan 0.000 0.506 100 A N 1.598 124.437 122.820 0.032 0.000 2.076 100 A HA -0.069 4.253 4.320 0.003 0.000 0.220 100 A C 2.467 179.998 177.584 -0.088 0.000 1.160 100 A CA 1.545 53.573 52.037 -0.015 0.000 0.653 100 A CB -0.719 18.279 19.000 -0.004 0.000 0.801 100 A HN 0.456 nan 8.150 nan 0.000 0.455 101 A N -1.798 120.952 122.820 -0.117 0.000 2.015 101 A HA 0.119 4.440 4.320 0.003 0.000 0.219 101 A C 1.728 178.884 177.584 -0.713 0.000 1.163 101 A CA 1.432 53.256 52.037 -0.354 0.000 0.646 101 A CB -0.468 18.328 19.000 -0.339 0.000 0.806 101 A HN 0.506 nan 8.150 nan 0.000 0.448 102 F N -0.638 119.190 119.950 -0.203 0.000 2.602 102 F HA 0.032 4.561 4.527 0.002 0.000 0.284 102 F C 2.660 178.269 175.800 -0.319 0.000 1.111 102 F CA 1.185 59.010 58.000 -0.292 0.000 1.405 102 F CB -0.446 38.360 39.000 -0.324 0.000 1.121 102 F HN 0.237 nan 8.300 nan 0.000 0.603 103 T N -0.341 114.113 114.554 -0.167 0.000 2.833 103 T HA -0.239 4.113 4.350 0.003 0.000 0.269 103 T C 1.985 176.617 174.700 -0.113 0.000 1.054 103 T CA 1.294 63.252 62.100 -0.237 0.000 1.135 103 T CB -0.703 68.063 68.868 -0.170 0.000 0.869 103 T HN 0.395 nan 8.240 nan 0.000 0.466 104 R N 1.183 121.643 120.500 -0.067 0.000 2.249 104 R HA 0.066 4.407 4.340 0.003 0.000 0.230 104 R C 1.928 178.227 176.300 -0.001 0.000 1.121 104 R CA 1.319 57.437 56.100 0.030 0.000 0.997 104 R CB -0.725 29.584 30.300 0.016 0.000 0.867 104 R HN 0.460 nan 8.270 nan 0.000 0.465 105 I N 0.380 120.882 120.570 -0.114 0.000 2.899 105 I HA -0.062 4.109 4.170 0.003 0.000 0.257 105 I C 2.118 178.157 176.117 -0.130 0.000 1.115 105 I CA 0.207 61.431 61.300 -0.126 0.000 1.451 105 I CB -0.027 37.898 38.000 -0.125 0.000 1.251 105 I HN 0.014 nan 8.210 nan 0.000 0.456 106 L N 0.489 121.601 121.223 -0.186 0.000 2.141 106 L HA -0.100 4.241 4.340 0.003 0.000 0.209 106 L C 2.748 179.630 176.870 0.020 0.000 1.094 106 L CA 0.885 55.619 54.840 -0.177 0.000 0.763 106 L CB -0.602 41.141 42.059 -0.527 0.000 0.908 106 L HN 0.212 nan 8.230 nan 0.000 0.437 107 R N 0.454 120.923 120.500 -0.052 0.000 2.070 107 R HA -0.091 4.251 4.340 0.003 0.000 0.233 107 R C -0.233 176.019 176.300 -0.080 0.000 1.137 107 R CA 1.432 57.534 56.100 0.004 0.000 0.945 107 R CB -1.996 28.337 30.300 0.055 0.000 0.845 107 R HN 0.358 nan 8.270 nan 0.000 0.430 108 P HA -0.062 nan 4.420 nan 0.000 0.223 108 P C 1.442 178.576 177.300 -0.277 0.000 1.151 108 P CA 0.942 63.733 63.100 -0.516 0.000 0.787 108 P CB -0.113 30.803 31.700 -1.307 0.000 0.788 109 L N -1.233 119.918 121.223 -0.120 0.000 2.353 109 L HA -0.002 4.340 4.340 0.003 0.000 0.220 109 L C 1.770 178.672 176.870 0.053 0.000 1.133 109 L CA 1.431 56.299 54.840 0.046 0.000 0.798 109 L CB -0.957 41.241 42.059 0.231 0.000 0.922 109 L HN 0.170 nan 8.230 nan 0.000 0.445 110 G N -2.499 106.233 108.800 -0.113 0.000 2.205 110 G HA2 -0.229 3.732 3.960 0.003 0.000 0.180 110 G HA3 -0.229 3.732 3.960 0.003 0.000 0.180 110 G C -0.086 174.403 174.900 -0.684 0.000 1.004 110 G CA -0.699 44.137 45.100 -0.439 0.000 0.670 110 G HN 0.138 nan 8.290 nan 0.000 0.496 111 Y N 0.758 120.918 120.300 -0.232 0.000 2.301 111 Y HA 0.718 5.269 4.550 0.003 0.000 0.328 111 Y C 1.311 177.239 175.900 0.047 0.000 1.242 111 Y CA -0.031 58.040 58.100 -0.049 0.000 1.323 111 Y CB 0.703 39.234 38.460 0.117 0.000 1.266 111 Y HN 0.120 nan 8.280 nan 0.000 0.527 112 R N 1.401 122.078 120.500 0.295 0.000 2.744 112 R HA 0.397 4.739 4.340 0.003 0.000 0.279 112 R C -1.606 174.840 176.300 0.243 0.000 0.977 112 R CA -1.433 54.811 56.100 0.241 0.000 0.906 112 R CB 1.930 32.290 30.300 0.099 0.000 1.197 112 R HN 0.514 nan 8.270 nan 0.000 0.463 113 L N 2.092 123.385 121.223 0.118 0.000 2.601 113 L HA -0.046 4.295 4.340 0.003 0.000 0.277 113 L C 0.426 177.193 176.870 -0.171 0.000 1.219 113 L CA 0.978 55.637 54.840 -0.302 0.000 0.915 113 L CB 0.090 42.043 42.059 -0.176 0.000 1.160 113 L HN 0.670 nan 8.230 nan 0.000 0.494 114 N N 2.205 120.775 118.700 -0.216 0.000 2.181 114 N HA 0.356 5.098 4.740 0.003 0.000 0.207 114 N C -0.377 175.125 175.510 -0.014 0.000 1.182 114 N CA 0.478 53.507 53.050 -0.034 0.000 0.893 114 N CB 0.843 39.382 38.487 0.088 0.000 1.032 114 N HN 0.757 nan 8.380 nan 0.000 0.513 115 G N -0.386 108.336 108.800 -0.130 0.000 2.596 115 G HA2 0.216 4.178 3.960 0.003 0.000 0.296 115 G HA3 0.216 4.178 3.960 0.003 0.000 0.296 115 G C -2.009 172.585 174.900 -0.510 0.000 1.513 115 G CA -0.768 44.184 45.100 -0.246 0.000 0.851 115 G HN 0.039 nan 8.290 nan 0.000 0.548 116 N N 0.264 118.514 118.700 -0.750 0.000 2.407 116 N HA 0.467 5.208 4.740 0.003 0.000 0.277 116 N C -1.658 173.415 175.510 -0.730 0.000 0.995 116 N CA -0.241 52.485 53.050 -0.541 0.000 0.903 116 N CB 1.914 40.232 38.487 -0.283 0.000 1.218 116 N HN 0.442 nan 8.380 nan 0.000 0.487 117 Y N 1.509 121.822 120.300 0.022 0.000 2.488 117 Y HA 0.339 4.890 4.550 0.002 0.000 0.330 117 Y C -2.138 173.830 175.900 0.113 0.000 1.013 117 Y CA -2.129 56.036 58.100 0.110 0.000 1.304 117 Y CB 1.307 39.909 38.460 0.237 0.000 1.098 117 Y HN 0.347 nan 8.280 nan 0.000 0.498 118 P HA 0.173 nan 4.420 nan 0.000 0.268 118 P C -0.265 177.146 177.300 0.185 0.000 1.205 118 P CA 0.055 63.248 63.100 0.156 0.000 0.771 118 P CB 1.045 32.801 31.700 0.094 0.000 0.858 119 L N 2.392 123.723 121.223 0.181 0.000 2.783 119 L HA 0.230 4.572 4.340 0.003 0.000 0.265 119 L C 0.676 177.632 176.870 0.143 0.000 1.398 119 L CA -0.212 54.730 54.840 0.169 0.000 0.802 119 L CB 0.468 42.644 42.059 0.196 0.000 1.126 119 L HN 0.190 nan 8.230 nan 0.000 0.529 120 D N 0.146 120.613 120.400 0.111 0.000 2.178 120 D HA -0.167 4.475 4.640 0.003 0.000 0.201 120 D C 2.255 178.598 176.300 0.072 0.000 0.980 120 D CA 0.777 54.826 54.000 0.081 0.000 0.842 120 D CB 0.191 41.019 40.800 0.047 0.000 0.948 120 D HN 0.187 nan 8.370 nan 0.000 0.472 121 R N 1.082 121.627 120.500 0.075 0.000 2.120 121 R HA -0.065 4.277 4.340 0.003 0.000 0.234 121 R C 2.105 178.464 176.300 0.098 0.000 1.123 121 R CA 1.063 57.202 56.100 0.065 0.000 0.975 121 R CB -0.941 29.395 30.300 0.060 0.000 0.866 121 R HN 0.589 nan 8.270 nan 0.000 0.446 122 I N -2.313 118.340 120.570 0.138 0.000 3.927 122 I HA 0.430 4.601 4.170 0.003 0.000 0.332 122 I C -0.059 176.222 176.117 0.274 0.000 1.485 122 I CA -0.423 61.000 61.300 0.204 0.000 1.131 122 I CB 0.115 38.226 38.000 0.185 0.000 1.092 122 I HN 0.125 nan 8.210 nan 0.000 0.410 126 G N 1.923 110.815 108.800 0.153 0.000 2.400 126 G HA2 0.789 4.751 3.960 0.003 0.000 0.333 126 G HA3 0.789 4.751 3.960 0.003 0.000 0.333 126 G C -0.928 173.827 174.900 -0.241 0.000 1.143 126 G CA -0.792 44.292 45.100 -0.027 0.000 0.914 126 G HN 0.637 nan 8.290 nan 0.000 0.480 127 R N 0.315 120.442 120.500 -0.621 0.000 2.621 127 R HA 0.533 4.875 4.340 0.003 0.000 0.284 127 R C -0.533 175.325 176.300 -0.736 0.000 0.998 127 R CA -0.709 55.103 56.100 -0.479 0.000 0.895 127 R CB 2.326 32.483 30.300 -0.239 0.000 1.195 127 R HN 0.699 nan 8.270 nan 0.000 0.450 128 S N 1.359 116.754 115.700 -0.508 0.000 2.565 128 S HA 0.558 5.029 4.470 0.003 0.000 0.290 128 S C -0.937 173.373 174.600 -0.483 0.000 1.150 128 S CA -0.654 57.339 58.200 -0.345 0.000 1.058 128 S CB 0.942 64.163 63.200 0.035 0.000 1.032 128 S HN 0.486 nan 8.310 nan 0.000 0.510 129 Y N 0.516 120.889 120.300 0.123 0.000 2.331 129 Y HA 0.668 5.220 4.550 0.002 0.000 0.334 129 Y C 0.300 176.451 175.900 0.418 0.000 0.960 129 Y CA -0.620 57.612 58.100 0.219 0.000 1.130 129 Y CB 1.913 40.440 38.460 0.111 0.000 1.164 129 Y HN 1.079 nan 8.280 nan 0.000 0.458 130 A N 2.571 125.683 122.820 0.486 0.000 2.355 130 A HA 0.453 4.774 4.320 0.003 0.000 0.324 130 A C -1.260 176.519 177.584 0.326 0.000 1.117 130 A CA -0.707 51.597 52.037 0.446 0.000 0.785 130 A CB 0.790 19.940 19.000 0.251 0.000 1.254 130 A HN 0.800 nan 8.150 nan 0.000 0.453 131 H N 2.130 121.222 119.070 0.036 0.000 2.767 131 H HA 0.332 4.889 4.556 0.003 0.000 0.316 131 H C 1.283 176.538 175.328 -0.122 0.000 1.059 131 H CA 0.630 56.479 56.048 -0.333 0.000 1.461 131 H CB 1.598 31.039 29.762 -0.534 0.000 1.475 131 H HN 0.733 nan 8.280 nan 0.000 0.531 132 A N 4.225 126.829 122.820 -0.360 0.000 2.019 132 A HA -0.152 4.170 4.320 0.003 0.000 0.219 132 A C 1.603 179.198 177.584 0.018 0.000 1.164 132 A CA 1.510 53.474 52.037 -0.122 0.000 0.644 132 A CB 0.071 18.977 19.000 -0.156 0.000 0.805 132 A HN 0.706 nan 8.150 nan 0.000 0.449 133 D N -1.100 119.419 120.400 0.198 0.000 2.346 133 D HA 0.334 4.975 4.640 0.003 0.000 0.206 133 D C 0.572 176.938 176.300 0.111 0.000 1.001 133 D CA 1.159 55.261 54.000 0.171 0.000 0.871 133 D CB 0.363 41.279 40.800 0.194 0.000 0.943 133 D HN 0.386 nan 8.370 nan 0.000 0.518 134 A N 0.898 123.793 122.820 0.124 0.000 3.208 134 A HA 0.277 4.598 4.320 0.003 0.000 0.252 134 A C -2.112 175.512 177.584 0.066 0.000 1.225 134 A CA -0.680 51.387 52.037 0.050 0.000 0.980 134 A CB 0.650 19.642 19.000 -0.013 0.000 1.414 134 A HN -0.187 nan 8.150 nan 0.000 0.721 135 P HA -0.149 nan 4.420 nan 0.000 0.218 135 P C 0.902 178.258 177.300 0.093 0.000 1.149 135 P CA 1.380 64.542 63.100 0.102 0.000 0.817 135 P CB 0.349 32.102 31.700 0.089 0.000 0.785 136 E N -0.935 119.304 120.200 0.066 0.000 2.385 136 E HA 0.064 4.415 4.350 0.003 0.000 0.194 136 E C 2.083 178.701 176.600 0.029 0.000 1.013 136 E CA 0.709 57.140 56.400 0.051 0.000 0.866 136 E CB -0.271 29.458 29.700 0.047 0.000 0.832 136 E HN 0.292 nan 8.360 nan 0.000 0.500 137 G N 0.891 109.703 108.800 0.019 0.000 2.641 137 G HA2 0.121 4.083 3.960 0.003 0.000 0.207 137 G HA3 0.121 4.083 3.960 0.003 0.000 0.207 137 G C 0.747 175.630 174.900 -0.028 0.000 1.137 137 G CA -0.349 44.746 45.100 -0.008 0.000 0.824 137 G HN -0.018 nan 8.290 nan 0.000 0.547 138 I N 2.128 122.683 120.570 -0.024 0.000 2.529 138 I HA 0.365 4.536 4.170 0.003 0.000 0.284 138 I C 1.008 177.125 176.117 0.000 0.000 1.082 138 I CA -0.766 60.513 61.300 -0.035 0.000 1.406 138 I CB 1.512 39.459 38.000 -0.090 0.000 1.405 138 I HN 0.158 nan 8.210 nan 0.000 0.548 139 A N 6.711 129.462 122.820 -0.115 0.000 2.531 139 A HA 0.092 4.413 4.320 0.003 0.000 0.236 139 A C 0.121 177.689 177.584 -0.028 0.000 1.062 139 A CA 0.015 51.870 52.037 -0.304 0.000 0.760 139 A CB 0.106 18.474 19.000 -1.053 0.000 0.995 139 A HN 0.771 nan 8.150 nan 0.000 0.501 140 Q N -0.332 119.492 119.800 0.041 0.000 2.317 140 Q HA 0.470 4.812 4.340 0.003 0.000 0.229 140 Q C -1.394 174.636 176.000 0.049 0.000 0.984 140 Q CA 0.110 56.068 55.803 0.260 0.000 0.911 140 Q CB 0.834 29.794 28.738 0.370 0.000 1.217 140 Q HN 0.637 nan 8.270 nan 0.000 0.501 141 F N 0.846 120.875 119.950 0.132 0.000 2.458 141 F HA 0.351 4.880 4.527 0.002 0.000 0.336 141 F C -0.622 175.259 175.800 0.136 0.000 1.114 141 F CA -0.615 57.446 58.000 0.102 0.000 0.987 141 F CB 0.908 39.878 39.000 -0.050 0.000 1.130 141 F HN 0.367 nan 8.300 nan 0.000 0.458 142 F N 4.351 124.351 119.950 0.083 0.000 2.402 142 F HA 0.664 5.193 4.527 0.002 0.000 0.355 142 F C -1.086 174.720 175.800 0.009 0.000 1.123 142 F CA -0.883 57.047 58.000 -0.118 0.000 1.021 142 F CB 0.809 39.554 39.000 -0.425 0.000 1.160 142 F HN 0.086 nan 8.300 nan 0.000 0.451 143 V N 5.114 124.949 119.914 -0.132 0.000 2.409 143 V HA 0.446 4.567 4.120 0.003 0.000 0.291 143 V C -0.274 175.775 176.094 -0.075 0.000 1.020 143 V CA -0.569 61.716 62.300 -0.026 0.000 0.848 143 V CB 1.406 33.245 31.823 0.026 0.000 0.990 143 V HN 0.781 nan 8.190 nan 0.000 0.430 144 S N 3.720 119.447 115.700 0.045 0.000 2.549 144 S HA 0.578 5.050 4.470 0.003 0.000 0.297 144 S C -0.485 174.157 174.600 0.070 0.000 1.115 144 S CA -0.768 57.482 58.200 0.084 0.000 1.059 144 S CB 1.449 64.763 63.200 0.191 0.000 1.046 144 S HN 0.784 nan 8.310 nan 0.000 0.506 145 E N 1.284 121.500 120.200 0.027 0.000 2.176 145 E HA 0.307 4.659 4.350 0.003 0.000 0.267 145 E C -1.357 175.111 176.600 -0.220 0.000 0.893 145 E CA -0.497 55.876 56.400 -0.045 0.000 0.761 145 E CB 1.560 31.218 29.700 -0.070 0.000 1.133 145 E HN 0.468 nan 8.360 nan 0.000 0.409 146 F N 3.571 123.406 119.950 -0.192 0.000 2.396 146 F HA 0.170 4.698 4.527 0.002 0.000 0.343 146 F C -0.143 175.520 175.800 -0.228 0.000 1.104 146 F CA -0.364 57.522 58.000 -0.190 0.000 1.161 146 F CB 0.574 39.553 39.000 -0.036 0.000 1.146 146 F HN 0.429 nan 8.300 nan 0.000 0.522 147 H N 7.221 125.763 119.070 -0.879 0.000 2.673 147 H HA 0.250 4.808 4.556 0.002 0.000 0.293 147 H C -2.057 172.972 175.328 -0.498 0.000 1.065 147 H CA -2.151 53.635 56.048 -0.436 0.000 1.236 147 H CB 1.069 30.711 29.762 -0.201 0.000 1.389 147 H HN 0.448 nan 8.280 nan 0.000 0.481 148 P HA -0.024 nan 4.420 nan 0.000 0.236 148 P C 1.198 178.639 177.300 0.235 0.000 1.177 148 P CA 0.468 63.608 63.100 0.067 0.000 0.773 148 P CB 0.705 32.093 31.700 -0.520 0.000 0.878 149 E N 0.253 120.601 120.200 0.247 0.000 2.114 149 E HA -0.184 4.168 4.350 0.003 0.000 0.199 149 E C 1.740 178.433 176.600 0.155 0.000 1.008 149 E CA 1.349 57.907 56.400 0.264 0.000 0.810 149 E CB -0.523 29.297 29.700 0.200 0.000 0.739 149 E HN 0.236 nan 8.360 nan 0.000 0.456 150 R N -0.788 119.738 120.500 0.043 0.000 2.310 150 R HA 0.125 4.467 4.340 0.003 0.000 0.202 150 R C -0.069 176.055 176.300 -0.293 0.000 0.933 150 R CA -0.220 55.784 56.100 -0.160 0.000 1.054 150 R CB 0.103 30.224 30.300 -0.297 0.000 0.985 150 R HN 0.065 nan 8.270 nan 0.000 0.489 151 F N 0.318 120.176 119.950 -0.154 0.000 2.348 151 F HA 0.115 4.644 4.527 0.003 0.000 0.308 151 F C 1.481 177.225 175.800 -0.093 0.000 1.175 151 F CA -0.702 57.126 58.000 -0.287 0.000 1.080 151 F CB 0.351 38.850 39.000 -0.834 0.000 1.341 151 F HN -0.111 nan 8.300 nan 0.000 0.518 152 S N -0.013 115.773 115.700 0.144 0.000 2.580 152 S HA -0.005 4.466 4.470 0.003 0.000 0.266 152 S C 0.644 175.370 174.600 0.211 0.000 1.354 152 S CA -0.566 57.726 58.200 0.153 0.000 1.008 152 S CB 0.545 63.832 63.200 0.146 0.000 0.898 152 S HN 0.562 nan 8.310 nan 0.000 0.555 153 D N 1.661 122.155 120.400 0.155 0.000 2.104 153 D HA -0.075 4.567 4.640 0.003 0.000 0.194 153 D C 2.264 178.662 176.300 0.163 0.000 0.994 153 D CA 1.981 56.074 54.000 0.155 0.000 0.830 153 D CB -0.985 39.883 40.800 0.112 0.000 0.959 153 D HN 0.724 nan 8.370 nan 0.000 0.452 154 A N 0.206 123.115 122.820 0.149 0.000 1.902 154 A HA -0.178 4.144 4.320 0.003 0.000 0.217 154 A C 2.152 179.819 177.584 0.139 0.000 1.181 154 A CA 1.134 53.245 52.037 0.123 0.000 0.623 154 A CB -1.014 18.048 19.000 0.102 0.000 0.818 154 A HN 0.266 nan 8.150 nan 0.000 0.443 155 F N 0.613 120.579 119.950 0.027 0.000 2.102 155 F HA -0.162 4.367 4.527 0.002 0.000 0.298 155 F C 2.422 178.181 175.800 -0.069 0.000 1.105 155 F CA 1.983 59.971 58.000 -0.021 0.000 1.239 155 F CB -0.214 38.806 39.000 0.032 0.000 0.991 155 F HN 0.108 nan 8.300 nan 0.000 0.474 156 R N 0.219 120.887 120.500 0.281 0.000 2.096 156 R HA -0.151 4.190 4.340 0.003 0.000 0.235 156 R C 2.084 178.426 176.300 0.071 0.000 1.127 156 R CA 1.774 57.927 56.100 0.088 0.000 0.968 156 R CB -0.475 29.955 30.300 0.217 0.000 0.861 156 R HN 0.427 nan 8.270 nan 0.000 0.440 157 E N 0.490 120.752 120.200 0.104 0.000 2.110 157 E HA -0.165 4.187 4.350 0.003 0.000 0.193 157 E C 2.050 178.647 176.600 -0.004 0.000 0.988 157 E CA 1.146 57.597 56.400 0.086 0.000 0.804 157 E CB -0.091 29.655 29.700 0.077 0.000 0.745 157 E HN 0.368 nan 8.360 nan 0.000 0.458 158 A N 0.918 123.680 122.820 -0.096 0.000 1.877 158 A HA -0.157 4.165 4.320 0.003 0.000 0.216 158 A C 2.511 179.940 177.584 -0.257 0.000 1.186 158 A CA 1.213 53.141 52.037 -0.181 0.000 0.620 158 A CB -0.760 18.080 19.000 -0.266 0.000 0.822 158 A HN 0.118 nan 8.150 nan 0.000 0.443 159 V N 0.021 119.699 119.914 -0.393 0.000 2.252 159 V HA -0.258 3.864 4.120 0.003 0.000 0.249 159 V C 2.824 178.821 176.094 -0.162 0.000 1.056 159 V CA 2.231 64.283 62.300 -0.413 0.000 1.022 159 V CB -1.525 29.911 31.823 -0.645 0.000 0.641 159 V HN 0.621 nan 8.190 nan 0.000 0.445 160 G N -0.830 107.990 108.800 0.034 0.000 2.422 160 G HA2 -0.222 3.740 3.960 0.003 0.000 0.218 160 G HA3 -0.222 3.740 3.960 0.003 0.000 0.218 160 G C 1.737 176.677 174.900 0.067 0.000 1.146 160 G CA 0.558 45.779 45.100 0.201 0.000 0.769 160 G HN 0.418 nan 8.290 nan 0.000 0.547 161 R N -0.357 120.149 120.500 0.010 0.000 2.120 161 R HA -0.010 4.331 4.340 0.003 0.000 0.234 161 R C 2.591 178.858 176.300 -0.055 0.000 1.123 161 R CA 1.032 57.126 56.100 -0.012 0.000 0.975 161 R CB -0.316 29.975 30.300 -0.015 0.000 0.866 161 R HN 0.335 nan 8.270 nan 0.000 0.446 162 V N 0.205 120.042 119.914 -0.128 0.000 2.346 162 V HA -0.171 3.950 4.120 0.003 0.000 0.244 162 V C 2.380 178.284 176.094 -0.317 0.000 1.037 162 V CA 2.243 64.393 62.300 -0.250 0.000 1.029 162 V CB -0.262 31.353 31.823 -0.348 0.000 0.663 162 V HN 0.522 nan 8.190 nan 0.000 0.454 163 T N -2.393 112.041 114.554 -0.199 0.000 3.057 163 T HA 0.080 4.432 4.350 0.003 0.000 0.254 163 T C 1.774 176.498 174.700 0.040 0.000 1.094 163 T CA 0.887 62.939 62.100 -0.080 0.000 1.088 163 T CB 0.025 68.901 68.868 0.013 0.000 0.934 163 T HN 0.417 nan 8.240 nan 0.000 0.497 164 G N 2.225 111.053 108.800 0.046 0.000 2.776 164 G HA2 -0.066 3.895 3.960 0.003 0.000 0.209 164 G HA3 -0.066 3.895 3.960 0.003 0.000 0.209 164 G C 1.108 176.033 174.900 0.042 0.000 1.145 164 G CA 0.508 45.644 45.100 0.060 0.000 0.791 164 G HN 0.828 nan 8.290 nan 0.000 0.530 165 N N -1.231 117.495 118.700 0.044 0.000 2.203 165 N HA 0.162 4.903 4.740 0.003 0.000 0.207 165 N C 0.356 175.896 175.510 0.051 0.000 1.130 165 N CA -0.267 52.807 53.050 0.040 0.000 0.861 165 N CB 0.490 39.000 38.487 0.038 0.000 1.005 165 N HN -0.066 nan 8.380 nan 0.000 0.507 166 S N 0.784 116.526 115.700 0.070 0.000 2.558 166 S HA 0.281 4.752 4.470 0.003 0.000 0.288 166 S C 0.548 175.162 174.600 0.023 0.000 1.318 166 S CA -0.458 57.784 58.200 0.070 0.000 1.056 166 S CB 0.669 63.921 63.200 0.087 0.000 0.853 166 S HN 0.522 nan 8.310 nan 0.000 0.505 167 A N 1.885 124.706 122.820 0.002 0.000 2.304 167 A HA 0.403 4.724 4.320 0.003 0.000 0.271 167 A C 0.070 177.632 177.584 -0.037 0.000 1.091 167 A CA -0.578 51.448 52.037 -0.019 0.000 0.812 167 A CB 0.288 19.271 19.000 -0.028 0.000 1.056 167 A HN 0.714 nan 8.150 nan 0.000 0.489 168 D N 1.215 121.588 120.400 -0.046 0.000 2.396 168 D HA 0.333 4.974 4.640 0.003 0.000 0.225 168 D C -1.384 174.872 176.300 -0.075 0.000 1.121 168 D CA -1.675 52.283 54.000 -0.071 0.000 0.853 168 D CB 1.145 41.906 40.800 -0.065 0.000 1.043 168 D HN 0.251 nan 8.370 nan 0.000 0.500 169 P HA 0.011 nan 4.420 nan 0.000 0.236 169 P C 0.530 177.783 177.300 -0.079 0.000 1.177 169 P CA -0.145 62.906 63.100 -0.083 0.000 0.773 169 P CB 0.415 32.056 31.700 -0.099 0.000 0.878 170 L N 2.447 123.608 121.223 -0.103 0.000 2.334 170 L HA 0.199 4.541 4.340 0.003 0.000 0.286 170 L C 0.682 177.530 176.870 -0.036 0.000 1.108 170 L CA -0.189 54.603 54.840 -0.079 0.000 0.875 170 L CB -0.191 41.800 42.059 -0.114 0.000 1.246 170 L HN -0.048 nan 8.230 nan 0.000 0.439 171 T N 2.358 116.903 114.554 -0.016 0.000 2.766 171 T HA 0.330 4.681 4.350 0.003 0.000 0.295 171 T C -1.685 173.022 174.700 0.012 0.000 1.024 171 T CA -1.263 60.835 62.100 -0.003 0.000 1.018 171 T CB 0.659 69.529 68.868 0.003 0.000 1.002 171 T HN 0.395 nan 8.240 nan 0.000 0.532 172 P HA -0.014 nan 4.420 nan 0.000 0.217 172 P C 1.625 178.947 177.300 0.038 0.000 1.150 172 P CA 0.767 63.882 63.100 0.025 0.000 0.832 172 P CB 0.007 31.715 31.700 0.015 0.000 0.787 173 R N 0.599 121.117 120.500 0.030 0.000 2.092 173 R HA -0.015 4.327 4.340 0.003 0.000 0.231 173 R C 2.098 178.423 176.300 0.042 0.000 1.119 173 R CA 1.752 57.873 56.100 0.035 0.000 0.970 173 R CB -1.483 28.832 30.300 0.027 0.000 0.864 173 R HN 0.037 nan 8.270 nan 0.000 0.440 174 A N 0.378 123.220 122.820 0.036 0.000 1.877 174 A HA -0.218 4.103 4.320 0.003 0.000 0.216 174 A C 2.086 179.701 177.584 0.051 0.000 1.186 174 A CA 1.700 53.758 52.037 0.034 0.000 0.620 174 A CB -0.556 18.457 19.000 0.022 0.000 0.822 174 A HN 0.547 nan 8.150 nan 0.000 0.443 175 Q N -1.028 118.824 119.800 0.087 0.000 2.119 175 Q HA -0.110 4.231 4.340 0.003 0.000 0.201 175 Q C 2.177 178.325 176.000 0.247 0.000 0.972 175 Q CA 1.714 57.635 55.803 0.198 0.000 0.847 175 Q CB -0.407 28.450 28.738 0.198 0.000 0.903 175 Q HN 0.680 nan 8.270 nan 0.000 0.433 176 T N 1.611 116.253 114.554 0.145 0.000 2.665 176 T HA -0.152 4.199 4.350 0.003 0.000 0.268 176 T C 1.848 176.615 174.700 0.111 0.000 1.035 176 T CA 1.083 63.260 62.100 0.129 0.000 1.151 176 T CB -0.195 68.719 68.868 0.076 0.000 0.862 176 T HN 0.190 nan 8.240 nan 0.000 0.438 177 L N 0.029 121.290 121.223 0.064 0.000 2.131 177 L HA 0.066 4.408 4.340 0.003 0.000 0.206 177 L C 2.499 179.356 176.870 -0.022 0.000 1.087 177 L CA 0.707 55.564 54.840 0.029 0.000 0.767 177 L CB -0.522 41.550 42.059 0.021 0.000 0.917 177 L HN 0.229 nan 8.230 nan 0.000 0.441 178 L N -1.340 119.836 121.223 -0.079 0.000 2.012 178 L HA -0.241 4.101 4.340 0.003 0.000 0.210 178 L C 2.325 178.904 176.870 -0.484 0.000 1.073 178 L CA 1.908 56.569 54.840 -0.299 0.000 0.748 178 L CB -0.453 41.361 42.059 -0.408 0.000 0.891 178 L HN 0.349 nan 8.230 nan 0.000 0.431 179 W N -0.484 120.825 121.300 0.014 0.000 2.518 179 W HA -0.063 4.598 4.660 0.002 0.000 0.273 179 W C 2.674 179.201 176.519 0.014 0.000 1.247 179 W CA 0.141 57.492 57.345 0.010 0.000 1.288 179 W CB -0.126 29.335 29.460 0.002 0.000 1.107 179 W HN 0.144 nan 8.180 nan 0.000 0.586 180 Q N 0.028 119.912 119.800 0.140 0.000 2.084 180 Q HA -0.221 4.121 4.340 0.003 0.000 0.202 180 Q C 2.195 178.219 176.000 0.039 0.000 0.978 180 Q CA 1.535 57.389 55.803 0.085 0.000 0.844 180 Q CB -0.647 28.127 28.738 0.061 0.000 0.898 180 Q HN 0.260 nan 8.270 nan 0.000 0.426 181 L N 1.221 122.436 121.223 -0.013 0.000 2.027 181 L HA -0.190 4.152 4.340 0.003 0.000 0.206 181 L C 1.819 178.663 176.870 -0.044 0.000 1.074 181 L CA 2.320 57.138 54.840 -0.035 0.000 0.745 181 L CB -0.611 41.407 42.059 -0.069 0.000 0.898 181 L HN 0.176 nan 8.230 nan 0.000 0.433 182 D N -1.013 119.327 120.400 -0.100 0.000 2.123 182 D HA -0.271 4.370 4.640 0.003 0.000 0.196 182 D C 2.373 178.701 176.300 0.048 0.000 0.992 182 D CA 1.462 55.423 54.000 -0.065 0.000 0.833 182 D CB -0.120 40.593 40.800 -0.145 0.000 0.954 182 D HN 0.312 nan 8.370 nan 0.000 0.455 183 R N -0.191 120.365 120.500 0.092 0.000 2.062 183 R HA -0.108 4.234 4.340 0.003 0.000 0.231 183 R C 1.049 177.382 176.300 0.055 0.000 1.136 183 R CA 1.863 58.018 56.100 0.091 0.000 0.948 183 R CB -0.044 30.317 30.300 0.102 0.000 0.845 183 R HN 0.219 nan 8.270 nan 0.000 0.430 184 D N -1.696 118.730 120.400 0.043 0.000 2.346 184 D HA 0.108 4.750 4.640 0.003 0.000 0.206 184 D C 1.098 177.413 176.300 0.025 0.000 1.001 184 D CA 1.039 55.059 54.000 0.032 0.000 0.871 184 D CB 0.666 41.484 40.800 0.030 0.000 0.943 184 D HN 0.565 nan 8.370 nan 0.000 0.518 185 G N 0.741 109.553 108.800 0.020 0.000 2.184 185 G HA2 -0.259 3.702 3.960 0.003 0.000 0.264 185 G HA3 -0.259 3.702 3.960 0.003 0.000 0.264 185 G C 0.472 175.382 174.900 0.018 0.000 0.975 185 G CA 0.871 45.981 45.100 0.018 0.000 0.642 185 G HN 0.552 nan 8.290 nan 0.000 0.536 186 V N -2.838 117.086 119.914 0.017 0.000 3.114 186 V HA 0.919 5.041 4.120 0.003 0.000 0.308 186 V C -0.163 175.940 176.094 0.016 0.000 1.168 186 V CA -1.432 60.878 62.300 0.017 0.000 1.015 186 V CB 2.286 34.120 31.823 0.018 0.000 1.050 186 V HN 0.442 nan 8.190 nan 0.000 0.433 187 L N 1.277 122.510 121.223 0.016 0.000 2.327 187 L HA 0.729 5.071 4.340 0.003 0.000 0.258 187 L C 0.611 177.492 176.870 0.019 0.000 1.024 187 L CA -0.524 54.326 54.840 0.018 0.000 0.825 187 L CB 2.658 44.727 42.059 0.017 0.000 1.386 187 L HN 1.062 nan 8.230 nan 0.000 0.417 188 T N -1.974 112.591 114.554 0.019 0.000 2.855 188 T HA 0.068 4.420 4.350 0.003 0.000 0.322 188 T C 1.200 175.912 174.700 0.020 0.000 1.088 188 T CA -0.609 61.503 62.100 0.019 0.000 1.104 188 T CB 0.788 69.667 68.868 0.018 0.000 0.996 188 T HN 0.281 nan 8.240 nan 0.000 0.549 189 V N 2.388 122.314 119.914 0.020 0.000 2.343 189 V HA -0.149 3.972 4.120 0.003 0.000 0.247 189 V C 3.068 179.176 176.094 0.023 0.000 1.051 189 V CA 2.233 64.546 62.300 0.021 0.000 1.036 189 V CB -1.730 30.105 31.823 0.021 0.000 0.654 189 V HN 1.102 nan 8.190 nan 0.000 0.451 190 A N 0.023 122.855 122.820 0.021 0.000 1.883 190 A HA -0.265 4.056 4.320 0.003 0.000 0.217 190 A C 1.993 179.591 177.584 0.024 0.000 1.186 190 A CA 2.176 54.225 52.037 0.022 0.000 0.624 190 A CB -0.642 18.370 19.000 0.019 0.000 0.822 190 A HN 0.532 nan 8.150 nan 0.000 0.444 191 D N -0.510 119.904 120.400 0.023 0.000 2.144 191 D HA -0.029 4.612 4.640 0.003 0.000 0.200 191 D C 2.077 178.392 176.300 0.026 0.000 0.978 191 D CA 1.314 55.328 54.000 0.024 0.000 0.833 191 D CB -0.667 40.147 40.800 0.023 0.000 0.961 191 D HN 0.427 nan 8.370 nan 0.000 0.470 192 G N 0.741 109.557 108.800 0.026 0.000 2.418 192 G HA2 -0.181 3.781 3.960 0.003 0.000 0.217 192 G HA3 -0.181 3.781 3.960 0.003 0.000 0.217 192 G C 1.705 176.627 174.900 0.036 0.000 1.158 192 G CA 1.110 46.227 45.100 0.029 0.000 0.771 192 G HN 0.382 nan 8.290 nan 0.000 0.545 193 A N 0.664 123.504 122.820 0.034 0.000 1.902 193 A HA -0.031 4.290 4.320 0.003 0.000 0.217 193 A C 2.152 179.760 177.584 0.040 0.000 1.181 193 A CA 2.021 54.080 52.037 0.037 0.000 0.623 193 A CB -0.444 18.575 19.000 0.032 0.000 0.818 193 A HN 0.493 nan 8.150 nan 0.000 0.443 194 E N -0.538 119.683 120.200 0.035 0.000 2.047 194 E HA -0.199 4.153 4.350 0.003 0.000 0.191 194 E C 1.931 178.556 176.600 0.042 0.000 0.987 194 E CA 1.332 57.753 56.400 0.035 0.000 0.799 194 E CB -0.218 29.500 29.700 0.030 0.000 0.752 194 E HN 0.424 nan 8.360 nan 0.000 0.449 195 L N 1.281 122.528 121.223 0.040 0.000 2.012 195 L HA -0.184 4.157 4.340 0.003 0.000 0.210 195 L C 2.151 179.061 176.870 0.066 0.000 1.073 195 L CA 1.649 56.516 54.840 0.045 0.000 0.748 195 L CB -0.464 41.615 42.059 0.033 0.000 0.891 195 L HN 0.258 nan 8.230 nan 0.000 0.431 196 I N -0.427 120.185 120.570 0.071 0.000 2.163 196 I HA -0.264 3.908 4.170 0.003 0.000 0.243 196 I C 2.495 178.671 176.117 0.099 0.000 1.085 196 I CA 1.456 62.812 61.300 0.093 0.000 1.347 196 I CB -1.144 36.905 38.000 0.081 0.000 1.044 196 I HN 0.446 nan 8.210 nan 0.000 0.408 197 G N 0.762 109.608 108.800 0.076 0.000 2.450 197 G HA2 -0.199 3.762 3.960 0.003 0.000 0.220 197 G HA3 -0.199 3.762 3.960 0.003 0.000 0.220 197 G C 1.672 176.619 174.900 0.079 0.000 1.130 197 G CA 0.635 45.778 45.100 0.072 0.000 0.760 197 G HN 0.314 nan 8.290 nan 0.000 0.557 198 L N -0.424 120.844 121.223 0.075 0.000 2.307 198 L HA 0.244 4.585 4.340 0.003 0.000 0.211 198 L C 2.618 179.542 176.870 0.090 0.000 1.099 198 L CA 0.065 54.944 54.840 0.066 0.000 0.816 198 L CB -0.083 42.004 42.059 0.047 0.000 0.952 198 L HN 0.165 nan 8.230 nan 0.000 0.455 199 L N -1.442 119.861 121.223 0.133 0.000 2.209 199 L HA -0.070 4.271 4.340 0.003 0.000 0.207 199 L C 2.459 179.540 176.870 0.352 0.000 1.094 199 L CA 0.233 55.200 54.840 0.213 0.000 0.790 199 L CB -0.285 41.929 42.059 0.259 0.000 0.932 199 L HN 0.009 nan 8.230 nan 0.000 0.447 200 V N 0.796 120.887 119.914 0.294 0.000 2.332 200 V HA -0.178 3.943 4.120 0.003 0.000 0.248 200 V C -0.436 175.866 176.094 0.347 0.000 1.055 200 V CA 1.980 64.485 62.300 0.342 0.000 1.038 200 V CB -1.376 30.565 31.823 0.196 0.000 0.651 200 V HN 0.343 nan 8.190 nan 0.000 0.450 201 P HA -0.030 nan 4.420 nan 0.000 0.234 201 P C 1.383 178.740 177.300 0.095 0.000 1.167 201 P CA 0.877 64.056 63.100 0.131 0.000 0.763 201 P CB -0.290 31.450 31.700 0.068 0.000 0.835 202 C N -2.341 117.010 119.300 0.085 0.000 2.446 202 C HA 0.029 4.490 4.460 0.003 0.000 0.279 202 C C 1.188 176.119 174.990 -0.098 0.000 1.366 202 C CA 0.250 59.197 59.018 -0.120 0.000 1.763 202 C CB -1.780 25.751 27.740 -0.348 0.000 1.929 202 C HN 0.136 nan 8.230 nan 0.000 0.509 203 F N 2.144 122.222 119.950 0.213 0.000 2.660 203 F HA 0.341 4.870 4.527 0.003 0.000 0.342 203 F C 0.659 176.504 175.800 0.074 0.000 1.195 203 F CA 0.358 58.441 58.000 0.137 0.000 1.300 203 F CB -0.647 38.446 39.000 0.156 0.000 1.616 203 F HN 0.344 nan 8.300 nan 0.000 0.592 204 E N -0.489 119.783 120.200 0.120 0.000 2.447 204 E HA 0.285 4.637 4.350 0.003 0.000 0.279 204 E C -0.939 175.627 176.600 -0.056 0.000 1.053 204 E CA -1.392 55.027 56.400 0.032 0.000 0.840 204 E CB 1.943 31.657 29.700 0.023 0.000 1.409 204 E HN 0.167 nan 8.360 nan 0.000 0.461 205 R N 1.490 121.900 120.500 -0.149 0.000 2.316 205 R HA 0.063 4.405 4.340 0.003 0.000 0.314 205 R C 0.325 176.458 176.300 -0.279 0.000 1.069 205 R CA 0.202 56.121 56.100 -0.303 0.000 0.959 205 R CB 0.479 30.518 30.300 -0.434 0.000 0.987 205 R HN 0.392 nan 8.270 nan 0.000 0.446 206 Q N 2.859 122.510 119.800 -0.249 0.000 2.384 206 Q HA 0.003 4.344 4.340 0.003 0.000 0.207 206 Q C 0.201 176.144 176.000 -0.095 0.000 0.904 206 Q CA 0.581 56.304 55.803 -0.133 0.000 0.933 206 Q CB 0.211 28.914 28.738 -0.057 0.000 1.077 206 Q HN 0.708 nan 8.270 nan 0.000 0.522 207 H N -1.511 117.535 119.070 -0.041 0.000 2.495 207 H HA 0.617 5.174 4.556 0.003 0.000 0.350 207 H C 0.259 175.551 175.328 -0.060 0.000 1.202 207 H CA -0.314 55.709 56.048 -0.042 0.000 1.322 207 H CB 0.760 30.501 29.762 -0.034 0.000 1.544 207 H HN -0.040 nan 8.280 nan 0.000 0.565 208 G N 0.029 108.892 108.800 0.106 0.000 2.621 208 G HA2 0.266 4.228 3.960 0.003 0.000 0.271 208 G HA3 0.266 4.228 3.960 0.003 0.000 0.271 208 G C -0.274 174.653 174.900 0.046 0.000 1.236 208 G CA -0.685 44.431 45.100 0.027 0.000 0.958 208 G HN 0.522 nan 8.290 nan 0.000 0.512 209 V N 2.920 122.814 119.914 -0.033 0.000 2.539 209 V HA 0.068 4.190 4.120 0.003 0.000 0.300 209 V C -1.147 174.932 176.094 -0.026 0.000 1.019 209 V CA -0.511 61.739 62.300 -0.084 0.000 1.160 209 V CB 0.376 32.138 31.823 -0.102 0.000 0.901 209 V HN 0.612 nan 8.190 nan 0.000 0.481 210 P HA 0.320 nan 4.420 nan 0.000 0.278 210 P C -0.467 176.910 177.300 0.130 0.000 1.258 210 P CA -0.823 62.303 63.100 0.044 0.000 0.811 210 P CB 0.905 32.644 31.700 0.066 0.000 1.063 211 R N 0.756 121.329 120.500 0.122 0.000 2.491 211 R HA 0.072 4.414 4.340 0.003 0.000 0.283 211 R C 1.411 177.837 176.300 0.210 0.000 1.072 211 R CA -0.589 55.593 56.100 0.135 0.000 1.048 211 R CB 0.089 30.432 30.300 0.071 0.000 0.983 211 R HN 0.401 nan 8.270 nan 0.000 0.450 212 L N 4.046 125.373 121.223 0.172 0.000 2.042 212 L HA -0.178 4.164 4.340 0.003 0.000 0.210 212 L C 2.069 178.968 176.870 0.048 0.000 1.076 212 L CA 2.320 57.183 54.840 0.039 0.000 0.749 212 L CB -0.649 41.359 42.059 -0.085 0.000 0.893 212 L HN 0.849 nan 8.230 nan 0.000 0.432 213 A N -0.846 121.997 122.820 0.038 0.000 1.940 213 A HA -0.235 4.087 4.320 0.003 0.000 0.219 213 A C 1.985 179.577 177.584 0.014 0.000 1.176 213 A CA 2.026 54.074 52.037 0.018 0.000 0.631 213 A CB -0.793 18.215 19.000 0.014 0.000 0.814 213 A HN 0.567 nan 8.150 nan 0.000 0.446 214 D N -1.955 118.465 120.400 0.033 0.000 2.149 214 D HA -0.101 4.541 4.640 0.003 0.000 0.201 214 D C 1.666 177.951 176.300 -0.025 0.000 0.972 214 D CA 1.342 55.332 54.000 -0.016 0.000 0.835 214 D CB -0.504 40.282 40.800 -0.024 0.000 0.966 214 D HN 0.602 nan 8.370 nan 0.000 0.476 215 Y N 2.288 122.569 120.300 -0.032 0.000 2.114 215 Y HA -0.234 4.318 4.550 0.003 0.000 0.282 215 Y C 1.981 177.844 175.900 -0.062 0.000 1.165 215 Y CA 1.686 59.778 58.100 -0.014 0.000 1.148 215 Y CB 0.063 38.584 38.460 0.101 0.000 0.972 215 Y HN -0.141 nan 8.280 nan 0.000 0.504 216 E N -0.612 119.499 120.200 -0.148 0.000 2.072 216 E HA -0.134 4.218 4.350 0.003 0.000 0.190 216 E C 2.223 178.724 176.600 -0.166 0.000 0.982 216 E CA 1.606 57.880 56.400 -0.210 0.000 0.803 216 E CB -0.726 28.933 29.700 -0.067 0.000 0.755 216 E HN 0.491 nan 8.360 nan 0.000 0.453 217 T N 2.356 116.846 114.554 -0.106 0.000 2.720 217 T HA -0.131 4.220 4.350 0.003 0.000 0.268 217 T C 2.145 176.815 174.700 -0.051 0.000 1.037 217 T CA 1.027 63.094 62.100 -0.055 0.000 1.144 217 T CB -0.271 68.567 68.868 -0.050 0.000 0.864 217 T HN 0.088 nan 8.240 nan 0.000 0.444 218 L N 0.222 121.310 121.223 -0.224 0.000 2.046 218 L HA -0.042 4.300 4.340 0.003 0.000 0.208 218 L C 2.451 179.272 176.870 -0.082 0.000 1.077 218 L CA 0.733 55.406 54.840 -0.279 0.000 0.747 218 L CB -0.595 41.161 42.059 -0.506 0.000 0.896 218 L HN 0.210 nan 8.230 nan 0.000 0.432 219 L N 0.059 121.119 121.223 -0.272 0.000 2.191 219 L HA -0.147 4.194 4.340 0.003 0.000 0.212 219 L C 2.688 179.517 176.870 -0.068 0.000 1.103 219 L CA 1.558 56.251 54.840 -0.244 0.000 0.769 219 L CB -0.581 41.194 42.059 -0.473 0.000 0.908 219 L HN 0.117 nan 8.230 nan 0.000 0.438 220 R N -0.439 120.047 120.500 -0.023 0.000 2.152 220 R HA -0.117 4.224 4.340 0.003 0.000 0.232 220 R C 1.528 177.880 176.300 0.087 0.000 1.117 220 R CA 1.588 57.707 56.100 0.033 0.000 0.981 220 R CB -0.158 30.166 30.300 0.040 0.000 0.870 220 R HN 0.583 nan 8.270 nan 0.000 0.451 221 E N -0.825 119.468 120.200 0.154 0.000 2.434 221 E HA 0.090 4.442 4.350 0.003 0.000 0.207 221 E C -0.056 176.678 176.600 0.222 0.000 0.929 221 E CA -0.033 56.477 56.400 0.183 0.000 1.001 221 E CB 1.036 30.838 29.700 0.169 0.000 1.016 221 E HN -0.082 nan 8.360 nan 0.000 0.502 222 S N -0.358 115.442 115.700 0.167 0.000 2.706 222 S HA 0.464 4.936 4.470 0.003 0.000 0.270 222 S C 0.107 174.735 174.600 0.046 0.000 1.163 222 S CA -0.176 58.101 58.200 0.127 0.000 1.042 222 S CB 1.232 64.443 63.200 0.019 0.000 1.079 222 S HN 0.161 nan 8.310 nan 0.000 0.474 223 A N 3.960 126.819 122.820 0.065 0.000 1.972 223 A HA 0.106 4.427 4.320 0.003 0.000 0.219 223 A C 0.974 178.610 177.584 0.087 0.000 1.169 223 A CA 1.226 53.303 52.037 0.066 0.000 0.635 223 A CB -0.507 18.541 19.000 0.080 0.000 0.810 223 A HN 0.756 nan 8.150 nan 0.000 0.446 227 W N 1.835 123.185 121.300 0.083 0.000 2.355 227 W HA -0.119 4.543 4.660 0.002 0.000 0.309 227 W C 1.670 178.240 176.519 0.085 0.000 1.206 227 W CA 2.801 60.219 57.345 0.122 0.000 1.284 227 W CB -0.098 29.422 29.460 0.100 0.000 1.145 227 W HN 0.339 nan 8.180 nan 0.000 0.502 228 I N 0.778 121.575 120.570 0.378 0.000 2.264 228 I HA -0.342 3.830 4.170 0.003 0.000 0.248 228 I C 2.593 178.762 176.117 0.088 0.000 1.111 228 I CA 1.401 62.827 61.300 0.211 0.000 1.382 228 I CB -1.149 36.948 38.000 0.162 0.000 1.060 228 I HN 0.105 nan 8.210 nan 0.000 0.418 229 A N 0.703 123.556 122.820 0.054 0.000 1.978 229 A HA -0.249 4.073 4.320 0.003 0.000 0.220 229 A C 2.429 180.099 177.584 0.143 0.000 1.170 229 A CA 2.586 54.666 52.037 0.072 0.000 0.636 229 A CB -0.974 18.072 19.000 0.076 0.000 0.810 229 A HN 0.562 nan 8.150 nan 0.000 0.448 230 T N -4.092 110.438 114.554 -0.040 0.000 3.033 230 T HA 0.076 4.427 4.350 0.003 0.000 0.248 230 T C 1.338 175.820 174.700 -0.364 0.000 1.040 230 T CA 1.040 62.996 62.100 -0.240 0.000 1.133 230 T CB 0.012 68.704 68.868 -0.292 0.000 0.895 230 T HN 0.315 nan 8.240 nan 0.000 0.465 231 E N 1.026 120.905 120.200 -0.534 0.000 2.460 231 E HA 0.324 4.676 4.350 0.003 0.000 0.200 231 E C 1.676 178.046 176.600 -0.382 0.000 1.011 231 E CA 0.579 56.597 56.400 -0.637 0.000 0.912 231 E CB 0.112 28.985 29.700 -1.377 0.000 0.953 231 E HN 0.657 nan 8.360 nan 0.000 0.494 232 G N 2.566 111.235 108.800 -0.219 0.000 2.611 232 G HA2 -0.409 3.552 3.960 0.003 0.000 0.301 232 G HA3 -0.409 3.552 3.960 0.003 0.000 0.301 232 G C 0.491 175.410 174.900 0.033 0.000 1.233 232 G CA 0.537 45.601 45.100 -0.061 0.000 0.993 232 G HN 0.379 nan 8.290 nan 0.000 0.553 233 N N 1.973 120.690 118.700 0.029 0.000 2.314 233 N HA 0.507 5.248 4.740 0.003 0.000 0.200 233 N C 0.760 176.256 175.510 -0.023 0.000 1.135 233 N CA 0.266 53.341 53.050 0.041 0.000 0.835 233 N CB 0.481 39.073 38.487 0.176 0.000 0.989 233 N HN 0.870 nan 8.380 nan 0.000 0.478 234 A N 0.665 123.498 122.820 0.021 0.000 2.483 234 A HA 0.134 4.456 4.320 0.003 0.000 0.238 234 A C -0.134 177.531 177.584 0.135 0.000 1.070 234 A CA -0.239 51.849 52.037 0.086 0.000 0.770 234 A CB -0.150 18.884 19.000 0.057 0.000 1.008 234 A HN 0.201 nan 8.150 nan 0.000 0.497 235 F N 1.616 121.671 119.950 0.176 0.000 2.623 235 F HA -0.045 4.483 4.527 0.003 0.000 0.383 235 F C 1.925 177.823 175.800 0.163 0.000 1.077 235 F CA 0.851 58.912 58.000 0.102 0.000 1.268 235 F CB 0.347 39.344 39.000 -0.006 0.000 1.053 235 F HN 0.826 nan 8.300 nan 0.000 0.571 236 N N 2.210 121.031 118.700 0.201 0.000 2.250 236 N HA -0.118 4.623 4.740 0.003 0.000 0.181 236 N C -0.093 175.305 175.510 -0.186 0.000 1.017 236 N CA 0.871 53.921 53.050 0.001 0.000 0.866 236 N CB 0.172 38.442 38.487 -0.363 0.000 0.985 236 N HN 0.787 nan 8.380 nan 0.000 0.429 237 H N -2.753 116.124 119.070 -0.323 0.000 3.037 237 H HA 0.573 5.131 4.556 0.002 0.000 0.336 237 H C -1.905 173.210 175.328 -0.355 0.000 1.323 237 H CA -0.881 54.788 56.048 -0.631 0.000 1.159 237 H CB 1.119 29.891 29.762 -1.650 0.000 1.882 237 H HN 0.019 nan 8.280 nan 0.000 0.535 238 A N 1.329 123.993 122.820 -0.260 0.000 2.355 238 A HA 0.674 4.996 4.320 0.003 0.000 0.324 238 A C -0.621 176.758 177.584 -0.341 0.000 1.117 238 A CA -0.615 51.292 52.037 -0.215 0.000 0.785 238 A CB 1.660 20.515 19.000 -0.241 0.000 1.254 238 A HN 0.677 nan 8.150 nan 0.000 0.453 239 T N 1.192 115.574 114.554 -0.286 0.000 2.876 239 T HA 0.528 4.879 4.350 0.003 0.000 0.289 239 T C -1.528 173.035 174.700 -0.228 0.000 1.014 239 T CA -0.334 61.522 62.100 -0.407 0.000 0.986 239 T CB 1.512 70.037 68.868 -0.573 0.000 1.021 239 T HN 0.663 nan 8.240 nan 0.000 0.458 240 D N 1.511 121.750 120.400 -0.268 0.000 2.408 240 D HA 0.222 4.864 4.640 0.003 0.000 0.243 240 D C -0.377 175.967 176.300 0.074 0.000 1.075 240 D CA -0.797 53.173 54.000 -0.050 0.000 0.832 240 D CB 1.240 42.056 40.800 0.027 0.000 1.162 240 D HN 0.324 nan 8.370 nan 0.000 0.515 241 R N 3.748 124.291 120.500 0.073 0.000 2.210 241 R HA 0.428 4.770 4.340 0.003 0.000 0.338 241 R C -0.395 175.959 176.300 0.089 0.000 1.062 241 R CA -0.501 55.638 56.100 0.064 0.000 0.902 241 R CB 0.334 30.651 30.300 0.029 0.000 1.050 241 R HN 0.350 nan 8.270 nan 0.000 0.461 242 V N 0.610 120.577 119.914 0.088 0.000 3.046 242 V HA 0.367 4.488 4.120 0.003 0.000 0.316 242 V C 0.348 176.455 176.094 0.023 0.000 1.104 242 V CA -0.808 61.536 62.300 0.073 0.000 1.006 242 V CB 2.135 34.003 31.823 0.075 0.000 1.058 242 V HN 0.600 nan 8.190 nan 0.000 0.440 243 D N 0.715 121.125 120.400 0.017 0.000 2.178 243 D HA 0.041 4.683 4.640 0.003 0.000 0.202 243 D C 0.217 176.516 176.300 -0.002 0.000 0.974 243 D CA 2.213 56.217 54.000 0.006 0.000 0.841 243 D CB 0.205 41.011 40.800 0.011 0.000 0.953 243 D HN 0.884 nan 8.370 nan 0.000 0.478 244 D N -0.726 119.663 120.400 -0.019 0.000 2.319 244 D HA 0.025 4.666 4.640 0.003 0.000 0.237 244 D C 1.072 177.318 176.300 -0.089 0.000 1.353 244 D CA -0.356 53.635 54.000 -0.014 0.000 0.992 244 D CB 1.182 41.996 40.800 0.023 0.000 1.368 244 D HN -0.154 nan 8.370 nan 0.000 0.564 245 V N 1.485 121.297 119.914 -0.172 0.000 2.626 245 V HA -0.011 4.111 4.120 0.003 0.000 0.252 245 V C 1.821 177.700 176.094 -0.359 0.000 1.067 245 V CA 1.040 63.149 62.300 -0.318 0.000 1.081 245 V CB -1.066 30.525 31.823 -0.386 0.000 0.686 245 V HN 0.340 nan 8.190 nan 0.000 0.468 246 F N 2.663 122.555 119.950 -0.097 0.000 2.084 246 F HA 0.193 4.721 4.527 0.002 0.000 0.296 246 F C 2.753 178.497 175.800 -0.093 0.000 1.111 246 F CA 1.827 59.776 58.000 -0.085 0.000 1.224 246 F CB -1.401 37.562 39.000 -0.061 0.000 0.991 246 F HN 0.246 nan 8.300 nan 0.000 0.471 247 G N 0.066 108.928 108.800 0.102 0.000 2.446 247 G HA2 -0.278 3.684 3.960 0.003 0.000 0.217 247 G HA3 -0.278 3.684 3.960 0.003 0.000 0.217 247 G C 1.768 176.637 174.900 -0.052 0.000 1.168 247 G CA 1.075 46.188 45.100 0.022 0.000 0.771 247 G HN 0.389 nan 8.290 nan 0.000 0.551 248 L N 0.477 121.617 121.223 -0.138 0.000 2.027 248 L HA -0.011 4.330 4.340 0.003 0.000 0.206 248 L C 2.945 179.651 176.870 -0.274 0.000 1.074 248 L CA 2.078 56.770 54.840 -0.247 0.000 0.745 248 L CB -0.398 41.380 42.059 -0.467 0.000 0.898 248 L HN 0.292 nan 8.230 nan 0.000 0.433 249 S N -0.504 115.027 115.700 -0.280 0.000 2.370 249 S HA -0.223 4.249 4.470 0.003 0.000 0.226 249 S C 1.938 176.476 174.600 -0.103 0.000 1.033 249 S CA 1.577 59.643 58.200 -0.223 0.000 1.011 249 S CB -0.377 62.708 63.200 -0.192 0.000 0.852 249 S HN 0.532 nan 8.310 nan 0.000 0.457 250 E N 1.128 121.297 120.200 -0.053 0.000 2.077 250 E HA -0.167 4.185 4.350 0.003 0.000 0.193 250 E C 2.187 178.782 176.600 -0.008 0.000 0.989 250 E CA 1.104 57.496 56.400 -0.012 0.000 0.800 250 E CB -0.680 29.026 29.700 0.010 0.000 0.746 250 E HN 0.775 nan 8.360 nan 0.000 0.452 251 Q N 0.354 120.143 119.800 -0.018 0.000 2.050 251 Q HA -0.146 4.195 4.340 0.003 0.000 0.202 251 Q C 0.693 176.714 176.000 0.035 0.000 0.980 251 Q CA 0.911 56.718 55.803 0.007 0.000 0.840 251 Q CB 0.196 28.938 28.738 0.006 0.000 0.898 251 Q HN 0.150 nan 8.270 nan 0.000 0.424 255 L N 0.466 121.723 121.223 0.058 0.000 2.552 255 L HA 0.283 4.624 4.340 0.003 0.000 0.227 255 L C 1.747 178.654 176.870 0.062 0.000 1.146 255 L CA 1.038 55.915 54.840 0.061 0.000 0.858 255 L CB -0.108 42.000 42.059 0.082 0.000 0.969 255 L HN 0.970 nan 8.230 nan 0.000 0.451 256 G N 0.502 109.341 108.800 0.066 0.000 2.141 256 G HA2 -0.261 3.701 3.960 0.003 0.000 0.242 256 G HA3 -0.261 3.701 3.960 0.003 0.000 0.242 256 G C 0.279 175.228 174.900 0.082 0.000 0.982 256 G CA -0.258 44.879 45.100 0.061 0.000 0.662 256 G HN 0.359 nan 8.290 nan 0.000 0.527 257 R N 0.794 121.372 120.500 0.130 0.000 2.500 257 R HA 0.556 4.897 4.340 0.003 0.000 0.275 257 R C -1.601 174.843 176.300 0.240 0.000 1.051 257 R CA -1.101 55.112 56.100 0.189 0.000 1.088 257 R CB 0.808 31.293 30.300 0.308 0.000 1.063 257 R HN 0.251 nan 8.270 nan 0.000 0.511 264 E N 3.142 123.296 120.200 -0.078 0.000 2.223 264 E HA 0.538 4.889 4.350 0.003 0.000 0.282 264 E C -0.832 175.744 176.600 -0.041 0.000 1.046 264 E CA -0.361 56.010 56.400 -0.047 0.000 0.857 264 E CB 2.210 31.877 29.700 -0.056 0.000 1.055 264 E HN 0.437 nan 8.360 nan 0.000 0.409 265 V N 3.189 123.100 119.914 -0.005 0.000 2.448 265 V HA 0.125 4.246 4.120 0.003 0.000 0.295 265 V C 0.365 176.462 176.094 0.005 0.000 1.025 265 V CA -0.829 61.476 62.300 0.008 0.000 0.859 265 V CB 1.644 33.501 31.823 0.057 0.000 0.988 265 V HN 0.803 nan 8.190 nan 0.000 0.431 266 S N 3.617 119.313 115.700 -0.006 0.000 2.580 266 S HA 0.176 4.647 4.470 0.003 0.000 0.266 266 S C 1.590 176.203 174.600 0.023 0.000 1.354 266 S CA 0.179 58.384 58.200 0.008 0.000 1.008 266 S CB 0.894 64.093 63.200 -0.002 0.000 0.898 266 S HN 1.107 nan 8.310 nan 0.000 0.555 267 G N 0.969 109.791 108.800 0.037 0.000 2.442 267 G HA2 -0.245 3.716 3.960 0.003 0.000 0.219 267 G HA3 -0.245 3.716 3.960 0.003 0.000 0.219 267 G C 1.638 176.558 174.900 0.033 0.000 1.141 267 G CA 1.049 46.172 45.100 0.039 0.000 0.763 267 G HN 1.084 nan 8.290 nan 0.000 0.554 268 S N -0.468 115.252 115.700 0.034 0.000 2.453 268 S HA 0.279 4.751 4.470 0.003 0.000 0.231 268 S C 2.088 176.693 174.600 0.008 0.000 1.005 268 S CA 1.165 59.381 58.200 0.028 0.000 0.949 268 S CB -0.262 62.959 63.200 0.035 0.000 0.774 268 S HN 1.648 nan 8.310 nan 0.000 0.510 269 G N 1.510 110.313 108.800 0.004 0.000 2.176 269 G HA2 -0.281 3.680 3.960 0.003 0.000 0.253 269 G HA3 -0.281 3.680 3.960 0.003 0.000 0.253 269 G C 0.962 175.848 174.900 -0.024 0.000 0.979 269 G CA 0.305 45.406 45.100 0.000 0.000 0.641 269 G HN 0.527 nan 8.290 nan 0.000 0.530 270 R N -0.520 119.946 120.500 -0.057 0.000 2.246 270 R HA 0.391 4.733 4.340 0.003 0.000 0.199 270 R C 0.936 177.170 176.300 -0.111 0.000 0.984 270 R CA 1.004 57.036 56.100 -0.114 0.000 1.015 270 R CB 0.378 30.556 30.300 -0.204 0.000 0.930 270 R HN 0.383 nan 8.270 nan 0.000 0.475 274 T N 0.056 114.545 114.554 -0.107 0.000 2.868 274 T HA 0.934 5.286 4.350 0.003 0.000 0.306 274 T C -1.881 172.780 174.700 -0.064 0.000 1.224 274 T CA 0.002 62.032 62.100 -0.117 0.000 1.012 274 T CB 1.767 70.529 68.868 -0.176 0.000 1.221 274 T HN 0.669 nan 8.240 nan 0.000 0.499 275 A N 1.872 124.618 122.820 -0.122 0.000 2.515 275 A HA 0.844 5.165 4.320 0.003 0.000 0.296 275 A C -1.289 176.200 177.584 -0.158 0.000 1.094 275 A CA -0.716 51.253 52.037 -0.113 0.000 0.718 275 A CB 0.805 19.731 19.000 -0.123 0.000 1.307 275 A HN 0.668 nan 8.150 nan 0.000 0.408 276 F N 1.017 121.015 119.950 0.080 0.000 2.506 276 F HA 0.403 4.932 4.527 0.002 0.000 0.351 276 F C 1.565 177.348 175.800 -0.029 0.000 1.136 276 F CA 0.271 58.307 58.000 0.060 0.000 1.298 276 F CB 0.616 39.680 39.000 0.106 0.000 1.145 276 F HN 0.713 nan 8.300 nan 0.000 0.593 277 R N 1.750 122.349 120.500 0.165 0.000 2.758 277 R HA 0.411 4.753 4.340 0.003 0.000 0.263 277 R C -0.498 175.878 176.300 0.128 0.000 1.010 277 R CA -0.149 55.978 56.100 0.046 0.000 1.114 277 R CB -0.275 30.064 30.300 0.065 0.000 0.985 277 R HN 0.660 nan 8.270 nan 0.000 0.439 278 A N 2.314 125.197 122.820 0.105 0.000 2.440 278 A HA 0.128 4.450 4.320 0.003 0.000 0.251 278 A C -0.466 177.222 177.584 0.174 0.000 1.089 278 A CA -0.493 51.687 52.037 0.239 0.000 0.779 278 A CB 0.069 19.254 19.000 0.308 0.000 1.022 278 A HN 0.804 nan 8.150 nan 0.000 0.492 279 D N 1.840 122.340 120.400 0.168 0.000 2.350 279 D HA 0.230 4.871 4.640 0.003 0.000 0.249 279 D C 0.234 176.601 176.300 0.112 0.000 1.119 279 D CA 0.630 54.693 54.000 0.105 0.000 0.886 279 D CB 0.930 41.770 40.800 0.067 0.000 1.195 279 D HN 0.490 nan 8.370 nan 0.000 0.437 280 T N 1.065 115.668 114.554 0.082 0.000 2.919 280 T HA 0.358 4.710 4.350 0.003 0.000 0.302 280 T C 0.398 175.129 174.700 0.052 0.000 1.031 280 T CA -0.522 61.625 62.100 0.078 0.000 1.127 280 T CB 0.903 69.808 68.868 0.061 0.000 0.952 280 T HN 0.238 nan 8.240 nan 0.000 0.540 281 V N 0.912 120.851 119.914 0.042 0.000 3.001 281 V HA 0.818 4.939 4.120 0.003 0.000 0.314 281 V C -0.554 175.536 176.094 -0.006 0.000 1.099 281 V CA -1.591 60.714 62.300 0.007 0.000 0.989 281 V CB 2.018 33.833 31.823 -0.014 0.000 1.040 281 V HN 0.669 nan 8.190 nan 0.000 0.434 282 R N 2.322 122.809 120.500 -0.022 0.000 2.265 282 R HA 0.697 5.039 4.340 0.003 0.000 0.319 282 R C -0.523 175.739 176.300 -0.063 0.000 1.006 282 R CA -0.247 55.840 56.100 -0.021 0.000 0.880 282 R CB 0.817 31.107 30.300 -0.017 0.000 1.077 282 R HN 0.862 nan 8.270 nan 0.000 0.454 283 R N 3.007 123.467 120.500 -0.067 0.000 2.771 283 R HA 0.316 4.658 4.340 0.003 0.000 0.274 283 R C -0.826 175.340 176.300 -0.223 0.000 0.987 283 R CA -0.973 55.001 56.100 -0.211 0.000 0.908 283 R CB 1.991 32.072 30.300 -0.364 0.000 1.213 283 R HN 0.712 nan 8.270 nan 0.000 0.468 284 Q N 1.021 120.602 119.800 -0.365 0.000 2.222 284 Q HA 0.568 4.910 4.340 0.003 0.000 0.252 284 Q C -0.856 174.792 176.000 -0.586 0.000 0.926 284 Q CA -0.202 55.440 55.803 -0.268 0.000 0.899 284 Q CB 1.275 29.910 28.738 -0.171 0.000 1.250 284 Q HN 0.299 nan 8.270 nan 0.000 0.441 285 F N 0.277 120.175 119.950 -0.087 0.000 2.643 285 F HA 0.446 4.975 4.527 0.003 0.000 0.314 285 F C -0.564 175.211 175.800 -0.042 0.000 1.096 285 F CA -1.108 56.848 58.000 -0.073 0.000 0.953 285 F CB 1.152 40.097 39.000 -0.091 0.000 1.345 285 F HN 0.268 nan 8.300 nan 0.000 0.468 286 I N 1.933 122.611 120.570 0.181 0.000 2.315 286 I HA 0.355 4.527 4.170 0.003 0.000 0.291 286 I C 0.681 176.853 176.117 0.092 0.000 1.006 286 I CA -0.243 61.115 61.300 0.097 0.000 1.265 286 I CB 0.435 38.471 38.000 0.060 0.000 1.387 286 I HN 0.651 nan 8.210 nan 0.000 0.475 287 G N 3.939 112.777 108.800 0.062 0.000 2.621 287 G HA2 0.381 4.342 3.960 0.003 0.000 0.271 287 G HA3 0.381 4.342 3.960 0.003 0.000 0.271 287 G C 0.937 175.854 174.900 0.028 0.000 1.236 287 G CA 0.081 45.205 45.100 0.039 0.000 0.958 287 G HN 0.727 nan 8.290 nan 0.000 0.512 288 A N -1.030 121.800 122.820 0.018 0.000 2.076 288 A HA -0.040 4.281 4.320 0.003 0.000 0.220 288 A C 1.880 179.473 177.584 0.014 0.000 1.160 288 A CA 1.477 53.523 52.037 0.015 0.000 0.653 288 A CB -0.182 18.823 19.000 0.009 0.000 0.801 288 A HN 0.617 nan 8.150 nan 0.000 0.455 289 Q N -1.820 117.988 119.800 0.014 0.000 2.186 289 Q HA 0.360 4.702 4.340 0.003 0.000 0.241 289 Q C 0.892 176.899 176.000 0.013 0.000 0.849 289 Q CA 0.182 55.992 55.803 0.012 0.000 1.053 289 Q CB 0.440 29.183 28.738 0.009 0.000 1.146 289 Q HN 0.774 nan 8.270 nan 0.000 0.475 290 G N 1.656 110.466 108.800 0.017 0.000 2.184 290 G HA2 -0.307 3.655 3.960 0.003 0.000 0.264 290 G HA3 -0.307 3.655 3.960 0.003 0.000 0.264 290 G C 0.240 175.151 174.900 0.017 0.000 0.975 290 G CA 0.583 45.693 45.100 0.017 0.000 0.642 290 G HN 0.479 nan 8.290 nan 0.000 0.536 291 E N 1.288 121.499 120.200 0.018 0.000 2.408 291 E HA 0.365 4.716 4.350 0.003 0.000 0.259 291 E C -0.344 176.271 176.600 0.026 0.000 1.110 291 E CA 0.324 56.734 56.400 0.017 0.000 0.929 291 E CB 0.310 30.018 29.700 0.014 0.000 0.971 291 E HN 0.128 nan 8.360 nan 0.000 0.438 292 T N 1.963 116.529 114.554 0.021 0.000 2.749 292 T HA 0.392 4.744 4.350 0.003 0.000 0.295 292 T C 0.081 174.803 174.700 0.037 0.000 0.936 292 T CA -0.496 61.620 62.100 0.027 0.000 1.060 292 T CB 0.553 69.425 68.868 0.007 0.000 0.904 292 T HN 0.481 nan 8.240 nan 0.000 0.500 293 V N 1.111 121.066 119.914 0.070 0.000 3.113 293 V HA 0.767 4.889 4.120 0.003 0.000 0.316 293 V C -0.669 175.500 176.094 0.125 0.000 1.125 293 V CA -1.090 61.253 62.300 0.072 0.000 1.026 293 V CB 2.210 34.066 31.823 0.054 0.000 1.080 293 V HN 0.796 nan 8.190 nan 0.000 0.444 294 E N 1.306 121.566 120.200 0.100 0.000 2.288 294 E HA 0.712 5.064 4.350 0.003 0.000 0.268 294 E C -1.287 175.381 176.600 0.113 0.000 0.885 294 E CA -1.052 55.424 56.400 0.127 0.000 0.767 294 E CB 2.556 32.286 29.700 0.050 0.000 1.220 294 E HN 0.574 nan 8.360 nan 0.000 0.427 295 R N 1.128 121.730 120.500 0.172 0.000 2.774 295 R HA 0.341 4.683 4.340 0.003 0.000 0.272 295 R C -1.326 175.023 176.300 0.082 0.000 1.000 295 R CA -0.761 55.380 56.100 0.068 0.000 0.906 295 R CB 1.514 31.760 30.300 -0.090 0.000 1.227 295 R HN 0.561 nan 8.270 nan 0.000 0.468 296 D N 2.206 122.631 120.400 0.041 0.000 2.280 296 D HA 0.342 4.983 4.640 0.003 0.000 0.243 296 D C 0.162 176.496 176.300 0.058 0.000 1.129 296 D CA -0.122 53.904 54.000 0.042 0.000 0.848 296 D CB 1.775 42.595 40.800 0.034 0.000 1.107 296 D HN 0.265 nan 8.370 nan 0.000 0.471 297 V N -0.098 119.855 119.914 0.065 0.000 3.130 297 V HA 0.638 4.759 4.120 0.003 0.000 0.310 297 V C -2.961 173.211 176.094 0.129 0.000 1.158 297 V CA -2.734 59.629 62.300 0.105 0.000 1.029 297 V CB 1.963 33.834 31.823 0.079 0.000 1.057 297 V HN 0.142 nan 8.190 nan 0.000 0.436 298 P HA 0.380 nan 4.420 nan 0.000 0.271 298 P C 0.242 177.734 177.300 0.320 0.000 1.216 298 P CA 0.739 64.003 63.100 0.273 0.000 0.771 298 P CB 0.946 32.861 31.700 0.357 0.000 0.864 299 G N 1.535 110.519 108.800 0.307 0.000 3.227 299 G HA2 0.399 4.361 3.960 0.003 0.000 0.171 299 G HA3 0.399 4.361 3.960 0.003 0.000 0.171 299 G C -0.335 174.912 174.900 0.579 0.000 1.463 299 G CA -0.240 45.044 45.100 0.307 0.000 1.016 299 G HN 0.453 nan 8.290 nan 0.000 0.594 300 S N -1.087 114.864 115.700 0.419 0.000 2.767 300 S HA 0.779 5.250 4.470 0.003 0.000 0.300 300 S C -0.926 173.892 174.600 0.362 0.000 1.123 300 S CA -0.371 58.073 58.200 0.408 0.000 0.992 300 S CB 1.258 64.630 63.200 0.287 0.000 1.138 300 S HN 0.626 nan 8.310 nan 0.000 0.550 301 F N -0.837 119.224 119.950 0.184 0.000 2.664 301 F HA 0.731 5.260 4.527 0.002 0.000 0.317 301 F C -1.513 174.380 175.800 0.155 0.000 1.108 301 F CA -1.427 56.663 58.000 0.151 0.000 0.957 301 F CB 0.856 39.919 39.000 0.105 0.000 1.365 301 F HN 0.513 nan 8.300 nan 0.000 0.475 302 Y N 1.443 121.887 120.300 0.240 0.000 2.335 302 Y HA 0.516 5.067 4.550 0.003 0.000 0.338 302 Y C -0.634 175.263 175.900 -0.005 0.000 0.977 302 Y CA -0.531 57.593 58.100 0.039 0.000 1.114 302 Y CB 1.318 39.801 38.460 0.038 0.000 1.182 302 Y HN 0.886 nan 8.280 nan 0.000 0.463 303 E N 4.636 124.607 120.200 -0.382 0.000 2.312 303 E HA 0.484 4.836 4.350 0.003 0.000 0.267 303 E C -1.929 174.269 176.600 -0.670 0.000 0.894 303 E CA -0.734 55.454 56.400 -0.353 0.000 0.773 303 E CB 1.360 30.957 29.700 -0.171 0.000 1.241 303 E HN 0.523 nan 8.360 nan 0.000 0.432 304 F N 2.473 122.335 119.950 -0.146 0.000 2.522 304 F HA 0.611 5.140 4.527 0.003 0.000 0.324 304 F C -0.053 175.666 175.800 -0.134 0.000 1.077 304 F CA -0.781 57.129 58.000 -0.151 0.000 0.944 304 F CB 1.649 40.533 39.000 -0.193 0.000 1.175 304 F HN 0.354 nan 8.300 nan 0.000 0.468 305 I N 1.357 121.982 120.570 0.090 0.000 2.722 305 I HA 0.528 4.699 4.170 0.003 0.000 0.295 305 I C -1.107 175.005 176.117 -0.008 0.000 1.161 305 I CA -0.327 60.978 61.300 0.008 0.000 1.032 305 I CB 2.243 40.252 38.000 0.014 0.000 1.244 305 I HN 0.705 nan 8.210 nan 0.000 0.421 306 T N 3.772 118.293 114.554 -0.055 0.000 2.829 306 T HA 0.630 4.982 4.350 0.003 0.000 0.280 306 T C -0.618 174.038 174.700 -0.074 0.000 0.999 306 T CA -0.788 61.281 62.100 -0.052 0.000 0.983 306 T CB 1.451 70.287 68.868 -0.052 0.000 0.968 306 T HN 0.636 nan 8.240 nan 0.000 0.446 307 R N 2.650 123.105 120.500 -0.075 0.000 2.409 307 R HA 0.384 4.725 4.340 0.003 0.000 0.313 307 R C -1.054 175.178 176.300 -0.115 0.000 0.953 307 R CA -0.899 55.135 56.100 -0.109 0.000 0.849 307 R CB 1.209 31.444 30.300 -0.108 0.000 1.171 307 R HN 0.654 nan 8.270 nan 0.000 0.458 308 D N 1.839 122.147 120.400 -0.154 0.000 2.399 308 D HA 0.093 4.735 4.640 0.003 0.000 0.241 308 D C 0.715 176.865 176.300 -0.250 0.000 1.133 308 D CA 0.378 54.271 54.000 -0.179 0.000 0.890 308 D CB 0.683 41.359 40.800 -0.207 0.000 1.201 308 D HN 0.486 nan 8.370 nan 0.000 0.432 309 R N 1.485 121.877 120.500 -0.180 0.000 2.457 309 R HA 0.464 4.806 4.340 0.003 0.000 0.284 309 R C -0.002 176.185 176.300 -0.188 0.000 1.024 309 R CA -0.489 55.530 56.100 -0.136 0.000 1.025 309 R CB -0.118 30.166 30.300 -0.027 0.000 1.063 309 R HN 0.378 nan 8.270 nan 0.000 0.493 320 V N 1.325 121.339 119.914 0.167 0.000 2.567 320 V HA 0.177 4.299 4.120 0.003 0.000 0.289 320 V C -0.191 175.983 176.094 0.133 0.000 1.049 320 V CA -0.268 62.075 62.300 0.071 0.000 0.969 320 V CB 1.502 33.344 31.823 0.031 0.000 0.995 320 V HN 0.718 nan 8.190 nan 0.000 0.471 321 D N 3.922 124.291 120.400 -0.052 0.000 2.338 321 D HA 0.126 4.767 4.640 0.003 0.000 0.255 321 D C 0.550 176.845 176.300 -0.007 0.000 1.237 321 D CA 0.183 54.208 54.000 0.041 0.000 0.883 321 D CB 0.967 41.637 40.800 -0.218 0.000 1.087 321 D HN 0.454 nan 8.370 nan 0.000 0.485 322 L N 3.180 124.437 121.223 0.057 0.000 2.629 322 L HA 0.265 4.607 4.340 0.003 0.000 0.230 322 L C 1.512 178.311 176.870 -0.118 0.000 1.151 322 L CA -0.425 54.395 54.840 -0.033 0.000 0.924 322 L CB 0.200 42.303 42.059 0.075 0.000 1.137 322 L HN 0.314 nan 8.230 nan 0.000 0.457 323 G N -0.990 107.771 108.800 -0.065 0.000 2.599 323 G HA2 0.255 4.217 3.960 0.003 0.000 0.264 323 G HA3 0.255 4.217 3.960 0.003 0.000 0.264 323 G C -0.322 174.374 174.900 -0.340 0.000 1.200 323 G CA -0.268 44.865 45.100 0.054 0.000 0.896 323 G HN 0.133 nan 8.290 nan 0.000 0.536 324 F N -0.537 119.324 119.950 -0.149 0.000 2.764 324 F HA 0.224 4.752 4.527 0.003 0.000 0.310 324 F C 0.241 175.794 175.800 -0.411 0.000 1.124 324 F CA -0.930 56.777 58.000 -0.487 0.000 1.252 324 F CB 0.267 38.773 39.000 -0.824 0.000 1.010 324 F HN 0.178 nan 8.300 nan 0.000 0.518 325 D N 1.943 122.410 120.400 0.110 0.000 2.667 325 D HA 0.045 4.686 4.640 0.003 0.000 0.226 325 D C 0.707 177.079 176.300 0.120 0.000 1.137 325 D CA 0.466 54.608 54.000 0.237 0.000 0.855 325 D CB 0.748 41.657 40.800 0.181 0.000 1.194 325 D HN 0.275 nan 8.370 nan 0.000 0.492 326 A N 1.556 124.477 122.820 0.169 0.000 2.429 326 A HA 0.557 4.879 4.320 0.003 0.000 0.242 326 A C 0.814 178.442 177.584 0.074 0.000 1.088 326 A CA 0.596 52.698 52.037 0.109 0.000 0.784 326 A CB 0.350 19.425 19.000 0.125 0.000 1.038 326 A HN 0.607 nan 8.150 nan 0.000 0.501 327 G N 0.000 108.831 108.800 0.052 0.000 5.446 327 G HA2 0.000 3.962 3.960 0.003 0.000 0.244 327 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 327 G CA 0.000 45.123 45.100 0.039 0.000 0.502 327 G HN 0.000 nan 8.290 nan 0.000 0.925