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 2dxu_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLGLKTSIIG RRVIYFQEIT STNEFAKTSY LEEGTVIVAD KQTMGHGALN DATA SEQUENCE RKWESPEGGL WLSIVLSPKV PQKDLPKIVF LGAVGVVETL KEFSIDGRIK DATA SEQUENCE WPNDVLVNYK KIAGVLVEGK GDKIVLGIGL NVNNKVPNGA TSMKLELGSE DATA SEQUENCE VPLLSVFRSL ITNLDRLYLN FLKNPMDILN LVRDNMILGV RVKIXXXXSF DATA SEQUENCE EGIAEDIDDF GRLIIRLDSG EVKKVIYGDV SLRFL 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.295 176.300 -0.008 0.000 1.140 1 M CA 0.000 55.293 55.300 -0.012 0.000 0.988 1 M CB 0.000 32.584 32.600 -0.027 0.000 1.302 2 L N 2.098 123.322 121.223 0.001 0.000 2.313 2 L HA 0.307 4.655 4.340 0.013 0.000 0.214 2 L C 1.526 178.417 176.870 0.036 0.000 1.119 2 L CA 1.286 56.138 54.840 0.019 0.000 0.809 2 L CB -0.597 41.488 42.059 0.043 0.000 0.933 2 L HN 0.770 nan 8.230 nan 0.000 0.449 3 G N 1.250 110.069 108.800 0.031 0.000 2.273 3 G HA2 -0.281 3.687 3.960 0.013 0.000 0.280 3 G HA3 -0.281 3.687 3.960 0.013 0.000 0.280 3 G C 0.193 175.116 174.900 0.039 0.000 1.047 3 G CA -0.114 45.004 45.100 0.030 0.000 0.869 3 G HN 0.233 nan 8.290 nan 0.000 0.502 4 L N -0.643 120.612 121.223 0.053 0.000 2.456 4 L HA 0.288 4.636 4.340 0.013 0.000 0.272 4 L C 1.183 178.075 176.870 0.037 0.000 1.189 4 L CA -0.068 54.805 54.840 0.054 0.000 0.846 4 L CB 0.626 42.730 42.059 0.074 0.000 1.111 4 L HN -0.034 nan 8.230 nan 0.000 0.475 5 K N 1.151 121.568 120.400 0.028 0.000 2.478 5 K HA 0.154 4.482 4.320 0.013 0.000 0.205 5 K C 0.321 176.934 176.600 0.022 0.000 1.033 5 K CA -0.070 56.231 56.287 0.023 0.000 1.091 5 K CB 0.400 32.911 32.500 0.018 0.000 0.844 5 K HN 0.725 nan 8.250 nan 0.000 0.507 6 T N -1.869 112.699 114.554 0.023 0.000 2.860 6 T HA 0.185 4.543 4.350 0.013 0.000 0.299 6 T C 1.384 176.106 174.700 0.036 0.000 1.045 6 T CA -0.280 61.834 62.100 0.024 0.000 1.071 6 T CB 1.448 70.325 68.868 0.014 0.000 0.985 6 T HN -0.107 nan 8.240 nan 0.000 0.537 7 S N 0.651 116.378 115.700 0.045 0.000 2.371 7 S HA 0.145 4.623 4.470 0.013 0.000 0.221 7 S C 1.588 176.228 174.600 0.068 0.000 1.036 7 S CA 0.424 58.655 58.200 0.053 0.000 0.965 7 S CB -0.323 62.910 63.200 0.054 0.000 0.845 7 S HN 0.715 nan 8.310 nan 0.000 0.475 8 I N -0.152 120.471 120.570 0.089 0.000 3.650 8 I HA 0.262 4.439 4.170 0.013 0.000 0.261 8 I C -0.201 175.954 176.117 0.065 0.000 1.154 8 I CA 0.026 61.388 61.300 0.104 0.000 1.418 8 I CB 0.190 38.307 38.000 0.195 0.000 1.539 8 I HN 0.028 nan 8.210 nan 0.000 0.449 9 I N 2.739 123.336 120.570 0.045 0.000 2.505 9 I HA 0.147 4.325 4.170 0.013 0.000 0.287 9 I C 1.002 177.116 176.117 -0.004 0.000 1.104 9 I CA 0.737 62.028 61.300 -0.015 0.000 1.387 9 I CB 0.189 38.151 38.000 -0.064 0.000 1.404 9 I HN 0.587 nan 8.210 nan 0.000 0.528 10 G N 5.163 113.975 108.800 0.020 0.000 2.168 10 G HA2 -0.226 3.742 3.960 0.013 0.000 0.197 10 G HA3 -0.226 3.742 3.960 0.013 0.000 0.197 10 G C 1.085 176.026 174.900 0.069 0.000 0.997 10 G CA -0.238 44.893 45.100 0.052 0.000 0.658 10 G HN 0.628 nan 8.290 nan 0.000 0.513 11 R N -0.316 120.219 120.500 0.059 0.000 2.105 11 R HA 0.027 4.374 4.340 0.013 0.000 0.239 11 R C 1.233 177.572 176.300 0.066 0.000 1.135 11 R CA 1.306 57.441 56.100 0.059 0.000 0.967 11 R CB -0.010 30.324 30.300 0.056 0.000 0.861 11 R HN 0.401 nan 8.270 nan 0.000 0.442 12 R N -0.462 120.085 120.500 0.078 0.000 2.725 12 R HA 0.476 4.824 4.340 0.013 0.000 0.277 12 R C -1.502 174.866 176.300 0.114 0.000 0.987 12 R CA -0.721 55.431 56.100 0.086 0.000 0.901 12 R CB 2.921 33.270 30.300 0.083 0.000 1.207 12 R HN -0.165 nan 8.270 nan 0.000 0.463 13 V N 3.633 123.617 119.914 0.117 0.000 2.623 13 V HA 0.466 4.594 4.120 0.013 0.000 0.304 13 V C -0.540 175.618 176.094 0.107 0.000 1.054 13 V CA -0.665 61.724 62.300 0.149 0.000 0.882 13 V CB 2.157 34.088 31.823 0.181 0.000 1.002 13 V HN 0.603 nan 8.190 nan 0.000 0.424 14 I N 5.191 125.837 120.570 0.128 0.000 2.354 14 I HA 0.396 4.574 4.170 0.013 0.000 0.286 14 I C -0.956 175.207 176.117 0.077 0.000 1.007 14 I CA -0.657 60.670 61.300 0.046 0.000 1.167 14 I CB 1.182 39.223 38.000 0.068 0.000 1.320 14 I HN 0.693 nan 8.210 nan 0.000 0.458 15 Y N 7.825 128.033 120.300 -0.153 0.000 2.342 15 Y HA 0.637 5.194 4.550 0.012 0.000 0.334 15 Y C -1.579 174.187 175.900 -0.224 0.000 1.067 15 Y CA -0.689 57.358 58.100 -0.090 0.000 1.128 15 Y CB 0.991 39.371 38.460 -0.134 0.000 1.200 15 Y HN 0.302 nan 8.280 nan 0.000 0.464 16 F N 4.051 123.374 119.950 -1.046 0.000 2.540 16 F HA 0.356 4.891 4.527 0.012 0.000 0.317 16 F C 0.930 176.123 175.800 -1.012 0.000 1.104 16 F CA -0.793 56.682 58.000 -0.875 0.000 0.913 16 F CB 2.319 41.034 39.000 -0.475 0.000 1.170 16 F HN 0.588 nan 8.300 nan 0.000 0.450 17 Q N 0.663 120.168 119.800 -0.491 0.000 2.119 17 Q HA -0.080 4.268 4.340 0.013 0.000 0.201 17 Q C 0.103 176.064 176.000 -0.065 0.000 0.972 17 Q CA 1.328 57.016 55.803 -0.191 0.000 0.847 17 Q CB 0.463 29.180 28.738 -0.035 0.000 0.903 17 Q HN 0.683 nan 8.270 nan 0.000 0.433 18 E N -0.518 119.662 120.200 -0.033 0.000 2.372 18 E HA 0.564 4.921 4.350 0.013 0.000 0.279 18 E C -1.879 174.689 176.600 -0.053 0.000 0.946 18 E CA -0.379 56.008 56.400 -0.021 0.000 0.769 18 E CB 1.809 31.504 29.700 -0.007 0.000 1.230 18 E HN 0.067 nan 8.360 nan 0.000 0.442 19 I N 1.663 122.150 120.570 -0.139 0.000 3.093 19 I HA 0.255 4.433 4.170 0.013 0.000 0.308 19 I C 1.063 177.077 176.117 -0.171 0.000 1.303 19 I CA -0.324 60.817 61.300 -0.265 0.000 0.975 19 I CB 2.242 39.849 38.000 -0.656 0.000 1.286 19 I HN 0.839 nan 8.210 nan 0.000 0.459 20 T N 0.560 115.030 114.554 -0.140 0.000 2.698 20 T HA 0.024 4.382 4.350 0.013 0.000 0.260 20 T C 0.651 175.300 174.700 -0.085 0.000 1.044 20 T CA 0.943 62.997 62.100 -0.077 0.000 1.149 20 T CB -0.196 68.653 68.868 -0.032 0.000 0.864 20 T HN 0.521 nan 8.240 nan 0.000 0.419 21 S N 0.211 115.850 115.700 -0.101 0.000 2.584 21 S HA 0.410 4.888 4.470 0.013 0.000 0.280 21 S C 0.828 175.358 174.600 -0.116 0.000 1.162 21 S CA 0.019 58.159 58.200 -0.100 0.000 0.951 21 S CB 1.403 64.590 63.200 -0.022 0.000 1.108 21 S HN 0.529 nan 8.310 nan 0.000 0.464 22 T N 2.896 117.365 114.554 -0.142 0.000 2.833 22 T HA -0.089 4.268 4.350 0.013 0.000 0.269 22 T C 1.436 176.123 174.700 -0.022 0.000 1.054 22 T CA 1.658 63.692 62.100 -0.109 0.000 1.135 22 T CB -0.604 68.224 68.868 -0.067 0.000 0.869 22 T HN 0.530 nan 8.240 nan 0.000 0.466 23 N N 1.203 119.858 118.700 -0.075 0.000 2.142 23 N HA -0.043 4.704 4.740 0.013 0.000 0.186 23 N C 2.060 177.577 175.510 0.012 0.000 1.023 23 N CA 1.102 54.119 53.050 -0.055 0.000 0.852 23 N CB -0.214 38.184 38.487 -0.149 0.000 0.998 23 N HN 0.422 nan 8.380 nan 0.000 0.424 24 E N -0.195 120.030 120.200 0.042 0.000 2.072 24 E HA -0.141 4.217 4.350 0.013 0.000 0.191 24 E C 1.767 178.380 176.600 0.022 0.000 0.985 24 E CA 0.540 56.970 56.400 0.050 0.000 0.801 24 E CB -0.513 29.227 29.700 0.066 0.000 0.750 24 E HN 0.401 nan 8.360 nan 0.000 0.452 25 F N 1.552 121.444 119.950 -0.097 0.000 2.134 25 F HA -0.158 4.377 4.527 0.013 0.000 0.299 25 F C 2.249 178.015 175.800 -0.056 0.000 1.097 25 F CA 1.521 59.465 58.000 -0.094 0.000 1.264 25 F CB -0.158 38.738 39.000 -0.175 0.000 1.001 25 F HN -0.008 nan 8.300 nan 0.000 0.479 26 A N 0.187 123.080 122.820 0.122 0.000 1.898 26 A HA -0.175 4.153 4.320 0.013 0.000 0.216 26 A C 2.231 179.773 177.584 -0.070 0.000 1.181 26 A CA 1.729 53.795 52.037 0.049 0.000 0.620 26 A CB -0.600 18.445 19.000 0.075 0.000 0.819 26 A HN 0.441 nan 8.150 nan 0.000 0.442 27 K N -0.942 119.415 120.400 -0.072 0.000 2.057 27 K HA -0.074 4.254 4.320 0.013 0.000 0.206 27 K C 2.054 178.555 176.600 -0.166 0.000 1.050 27 K CA 1.741 57.973 56.287 -0.092 0.000 0.935 27 K CB -0.330 32.135 32.500 -0.059 0.000 0.715 27 K HN 0.458 nan 8.250 nan 0.000 0.439 28 T N 0.975 115.399 114.554 -0.217 0.000 2.812 28 T HA -0.013 4.345 4.350 0.013 0.000 0.264 28 T C 1.020 175.451 174.700 -0.448 0.000 1.042 28 T CA 0.559 62.482 62.100 -0.294 0.000 1.140 28 T CB 0.067 68.782 68.868 -0.255 0.000 0.870 28 T HN 0.077 nan 8.240 nan 0.000 0.445 29 S N 0.614 116.000 115.700 -0.524 0.000 2.603 29 S HA 0.335 4.813 4.470 0.013 0.000 0.268 29 S C -0.778 173.592 174.600 -0.383 0.000 1.317 29 S CA -0.602 57.272 58.200 -0.543 0.000 1.012 29 S CB 0.183 62.923 63.200 -0.768 0.000 0.926 29 S HN 0.265 nan 8.310 nan 0.000 0.539 30 Y N 1.771 122.004 120.300 -0.112 0.000 2.556 30 Y HA 0.449 5.007 4.550 0.013 0.000 0.352 30 Y C 0.055 175.944 175.900 -0.018 0.000 1.006 30 Y CA -0.302 57.769 58.100 -0.049 0.000 1.277 30 Y CB -0.378 38.063 38.460 -0.030 0.000 1.136 30 Y HN 0.312 nan 8.280 nan 0.000 0.523 31 L N 2.743 124.040 121.223 0.122 0.000 2.371 31 L HA 0.511 4.859 4.340 0.013 0.000 0.262 31 L C -0.213 176.714 176.870 0.095 0.000 1.006 31 L CA -1.153 53.751 54.840 0.107 0.000 0.818 31 L CB 2.405 44.521 42.059 0.095 0.000 1.354 31 L HN 0.417 nan 8.230 nan 0.000 0.415 32 E N 0.758 121.010 120.200 0.088 0.000 2.349 32 E HA 0.142 4.500 4.350 0.013 0.000 0.262 32 E C -0.627 176.011 176.600 0.064 0.000 1.088 32 E CA -0.600 55.844 56.400 0.073 0.000 0.899 32 E CB 1.237 30.977 29.700 0.068 0.000 1.044 32 E HN 0.460 nan 8.360 nan 0.000 0.420 33 E N 0.056 120.293 120.200 0.062 0.000 2.452 33 E HA 0.025 4.383 4.350 0.013 0.000 0.261 33 E C 0.586 177.213 176.600 0.044 0.000 0.987 33 E CA 0.903 57.335 56.400 0.053 0.000 0.926 33 E CB 0.160 29.910 29.700 0.082 0.000 0.934 33 E HN 0.719 nan 8.360 nan 0.000 0.452 34 G N 3.201 112.004 108.800 0.004 0.000 2.217 34 G HA2 -0.251 3.717 3.960 0.013 0.000 0.246 34 G HA3 -0.251 3.717 3.960 0.013 0.000 0.246 34 G C 0.349 175.263 174.900 0.023 0.000 0.990 34 G CA 0.224 45.323 45.100 -0.001 0.000 0.627 34 G HN 0.624 nan 8.290 nan 0.000 0.522 35 T N 1.440 116.022 114.554 0.047 0.000 2.888 35 T HA 0.458 4.816 4.350 0.013 0.000 0.301 35 T C 0.427 175.181 174.700 0.089 0.000 1.001 35 T CA 0.245 62.395 62.100 0.083 0.000 1.147 35 T CB 2.026 70.959 68.868 0.109 0.000 0.931 35 T HN 0.488 nan 8.240 nan 0.000 0.541 36 V N 5.442 125.430 119.914 0.124 0.000 2.435 36 V HA 0.401 4.529 4.120 0.013 0.000 0.290 36 V C -0.053 176.159 176.094 0.195 0.000 1.030 36 V CA -0.910 61.480 62.300 0.149 0.000 0.881 36 V CB 1.432 33.377 31.823 0.203 0.000 0.983 36 V HN 0.692 nan 8.190 nan 0.000 0.445 37 I N 5.475 126.156 120.570 0.184 0.000 2.339 37 I HA 0.535 4.713 4.170 0.013 0.000 0.290 37 I C -0.219 175.998 176.117 0.167 0.000 0.994 37 I CA -0.345 61.074 61.300 0.199 0.000 1.191 37 I CB 1.450 39.558 38.000 0.179 0.000 1.343 37 I HN 0.383 nan 8.210 nan 0.000 0.458 38 V N 5.958 125.993 119.914 0.202 0.000 2.841 38 V HA 0.931 5.059 4.120 0.013 0.000 0.310 38 V C -0.942 175.249 176.094 0.161 0.000 1.090 38 V CA -0.288 62.120 62.300 0.180 0.000 0.930 38 V CB 2.098 34.033 31.823 0.188 0.000 1.014 38 V HN 0.906 nan 8.190 nan 0.000 0.425 39 A N 3.663 126.564 122.820 0.135 0.000 2.475 39 A HA 0.647 4.974 4.320 0.013 0.000 0.301 39 A C 0.204 177.906 177.584 0.198 0.000 1.059 39 A CA -0.406 51.681 52.037 0.083 0.000 0.710 39 A CB 1.590 20.581 19.000 -0.014 0.000 1.288 39 A HN 0.794 nan 8.150 nan 0.000 0.408 40 D N 0.599 121.087 120.400 0.148 0.000 2.144 40 D HA -0.043 4.605 4.640 0.013 0.000 0.199 40 D C 0.467 176.974 176.300 0.344 0.000 0.984 40 D CA 1.938 56.064 54.000 0.210 0.000 0.834 40 D CB 0.154 41.057 40.800 0.173 0.000 0.955 40 D HN 0.704 nan 8.370 nan 0.000 0.465 41 K N -0.671 119.889 120.400 0.266 0.000 2.556 41 K HA 0.479 4.806 4.320 0.013 0.000 0.274 41 K C -1.191 175.421 176.600 0.022 0.000 0.966 41 K CA -0.875 55.534 56.287 0.203 0.000 0.865 41 K CB 1.875 34.444 32.500 0.116 0.000 1.444 41 K HN -0.265 nan 8.250 nan 0.000 0.433 42 Q N 0.794 120.513 119.800 -0.135 0.000 2.353 42 Q HA 0.246 4.593 4.340 0.013 0.000 0.268 42 Q C 0.032 175.951 176.000 -0.135 0.000 1.045 42 Q CA -0.729 54.982 55.803 -0.155 0.000 0.811 42 Q CB 2.331 30.940 28.738 -0.214 0.000 1.305 42 Q HN 0.902 nan 8.270 nan 0.000 0.447 43 T N -1.703 112.796 114.554 -0.092 0.000 3.051 43 T HA 0.162 4.520 4.350 0.013 0.000 0.255 43 T C 0.935 175.601 174.700 -0.057 0.000 1.085 43 T CA 0.336 62.395 62.100 -0.069 0.000 1.109 43 T CB 0.310 69.150 68.868 -0.046 0.000 0.921 43 T HN 0.422 nan 8.240 nan 0.000 0.488 44 M N 2.061 121.631 119.600 -0.050 0.000 3.320 44 M HA 0.391 4.878 4.480 0.013 0.000 0.414 44 M C 0.592 176.906 176.300 0.022 0.000 1.553 44 M CA -0.730 54.565 55.300 -0.009 0.000 0.742 44 M CB 0.561 33.165 32.600 0.008 0.000 1.434 44 M HN 0.291 nan 8.290 nan 0.000 0.505 45 G N 1.046 109.828 108.800 -0.030 0.000 2.491 45 G HA2 0.321 4.288 3.960 0.013 0.000 0.238 45 G HA3 0.321 4.288 3.960 0.013 0.000 0.238 45 G C -0.511 174.447 174.900 0.097 0.000 1.277 45 G CA 0.270 45.353 45.100 -0.030 0.000 0.851 45 G HN 0.719 nan 8.290 nan 0.000 0.573 46 H N -1.251 117.841 119.070 0.035 0.000 3.008 46 H HA 0.765 5.329 4.556 0.014 0.000 0.354 46 H C 0.315 175.648 175.328 0.008 0.000 1.252 46 H CA -0.488 55.592 56.048 0.052 0.000 1.117 46 H CB 1.218 30.980 29.762 0.000 0.000 1.857 46 H HN 0.710 nan 8.280 nan 0.000 0.547 47 G N -0.193 108.740 108.800 0.222 0.000 2.940 47 G HA2 0.602 4.570 3.960 0.013 0.000 0.164 47 G HA3 0.602 4.570 3.960 0.013 0.000 0.164 47 G C -0.484 174.519 174.900 0.172 0.000 1.326 47 G CA -0.734 44.428 45.100 0.103 0.000 1.020 47 G HN 0.923 nan 8.290 nan 0.000 0.586 48 A N -1.307 121.563 122.820 0.083 0.000 2.332 48 A HA 0.557 4.885 4.320 0.013 0.000 0.258 48 A C 0.969 178.580 177.584 0.044 0.000 1.087 48 A CA -0.206 51.866 52.037 0.057 0.000 0.802 48 A CB -0.173 18.842 19.000 0.025 0.000 1.042 48 A HN 1.372 nan 8.150 nan 0.000 0.489 49 L N 0.034 121.261 121.223 0.007 0.000 3.839 49 L HA -0.304 4.044 4.340 0.013 0.000 0.416 49 L C 0.760 177.614 176.870 -0.026 0.000 1.195 49 L CA 0.753 55.584 54.840 -0.015 0.000 0.946 49 L CB -1.991 40.068 42.059 -0.001 0.000 1.891 49 L HN 1.127 nan 8.230 nan 0.000 0.963 50 N N 0.075 118.742 118.700 -0.055 0.000 2.714 50 N HA -0.203 4.544 4.740 0.013 0.000 0.250 50 N C 0.431 175.952 175.510 0.018 0.000 1.117 50 N CA 1.375 54.374 53.050 -0.086 0.000 0.719 50 N CB -0.267 38.146 38.487 -0.123 0.000 1.081 50 N HN 0.528 nan 8.380 nan 0.000 0.557 51 R N 0.406 120.947 120.500 0.068 0.000 2.623 51 R HA 0.019 4.367 4.340 0.013 0.000 0.271 51 R C 0.448 176.825 176.300 0.128 0.000 1.043 51 R CA -0.122 56.029 56.100 0.085 0.000 1.083 51 R CB 0.386 30.747 30.300 0.102 0.000 0.974 51 R HN 0.153 nan 8.270 nan 0.000 0.436 52 K N 2.964 123.414 120.400 0.083 0.000 2.412 52 K HA -0.025 4.303 4.320 0.013 0.000 0.281 52 K C -1.210 175.453 176.600 0.105 0.000 1.027 52 K CA 0.147 56.478 56.287 0.073 0.000 0.989 52 K CB 0.510 33.011 32.500 0.002 0.000 0.935 52 K HN 0.515 nan 8.250 nan 0.000 0.475 53 W N 6.517 127.762 121.300 -0.092 0.000 2.318 53 W HA 0.251 4.919 4.660 0.013 0.000 0.315 53 W C -0.986 175.382 176.519 -0.251 0.000 1.033 53 W CA -0.690 56.561 57.345 -0.157 0.000 1.275 53 W CB 0.749 30.095 29.460 -0.191 0.000 1.250 53 W HN 0.677 nan 8.180 nan 0.000 0.421 54 E N 2.949 122.716 120.200 -0.721 0.000 2.351 54 E HA 0.047 4.405 4.350 0.013 0.000 0.266 54 E C -0.031 176.066 176.600 -0.838 0.000 1.031 54 E CA 0.539 56.582 56.400 -0.594 0.000 0.911 54 E CB 0.730 30.151 29.700 -0.466 0.000 0.986 54 E HN 0.185 nan 8.360 nan 0.000 0.446 55 S N 4.943 120.230 115.700 -0.689 0.000 2.139 55 S HA 0.223 4.700 4.470 0.013 0.000 0.183 55 S C -2.252 172.092 174.600 -0.426 0.000 1.473 55 S CA -1.043 56.461 58.200 -1.160 0.000 1.263 55 S CB 0.379 62.848 63.200 -1.218 0.000 1.170 55 S HN 0.442 nan 8.310 nan 0.000 0.430 56 P HA 0.230 nan 4.420 nan 0.000 0.276 56 P C -0.349 177.179 177.300 0.381 0.000 1.261 56 P CA -0.428 62.757 63.100 0.143 0.000 0.800 56 P CB 0.793 32.544 31.700 0.085 0.000 1.066 57 E N -0.585 119.755 120.200 0.233 0.000 2.413 57 E HA 0.291 4.649 4.350 0.013 0.000 0.263 57 E C 0.989 177.682 176.600 0.156 0.000 1.015 57 E CA 0.844 57.368 56.400 0.207 0.000 0.916 57 E CB -0.229 29.542 29.700 0.118 0.000 0.947 57 E HN 0.827 nan 8.360 nan 0.000 0.440 58 G N 1.990 110.837 108.800 0.079 0.000 2.253 58 G HA2 -0.175 3.793 3.960 0.013 0.000 0.209 58 G HA3 -0.175 3.793 3.960 0.013 0.000 0.209 58 G C 0.409 175.230 174.900 -0.132 0.000 0.997 58 G CA -0.356 44.740 45.100 -0.006 0.000 0.640 58 G HN 0.804 nan 8.290 nan 0.000 0.496 59 G N -0.674 107.971 108.800 -0.258 0.000 2.521 59 G HA2 0.702 4.670 3.960 0.013 0.000 0.323 59 G HA3 0.702 4.670 3.960 0.013 0.000 0.323 59 G C -0.920 173.169 174.900 -1.352 0.000 1.211 59 G CA -0.686 43.867 45.100 -0.910 0.000 0.979 59 G HN 0.880 nan 8.290 nan 0.000 0.490 60 L N 0.474 120.916 121.223 -1.301 0.000 2.277 60 L HA 0.595 4.943 4.340 0.013 0.000 0.284 60 L C -1.414 175.103 176.870 -0.587 0.000 1.028 60 L CA -1.143 53.258 54.840 -0.733 0.000 0.835 60 L CB 0.332 42.206 42.059 -0.309 0.000 1.215 60 L HN 0.519 nan 8.230 nan 0.000 0.425 61 W N 7.748 129.098 121.300 0.084 0.000 2.336 61 W HA 0.616 5.282 4.660 0.010 0.000 0.315 61 W C -0.890 175.643 176.519 0.023 0.000 1.016 61 W CA -0.994 56.378 57.345 0.045 0.000 1.318 61 W CB 0.984 30.474 29.460 0.050 0.000 1.247 61 W HN 0.385 nan 8.180 nan 0.000 0.414 62 L N 0.539 121.868 121.223 0.177 0.000 2.479 62 L HA 0.939 5.287 4.340 0.013 0.000 0.255 62 L C -0.443 176.452 176.870 0.041 0.000 1.026 62 L CA -1.088 53.824 54.840 0.120 0.000 0.842 62 L CB 1.945 44.103 42.059 0.165 0.000 1.444 62 L HN 0.049 nan 8.230 nan 0.000 0.409 63 S N 0.742 116.466 115.700 0.041 0.000 2.549 63 S HA 0.863 5.341 4.470 0.013 0.000 0.280 63 S C -0.861 173.747 174.600 0.014 0.000 1.109 63 S CA -0.445 57.754 58.200 -0.001 0.000 0.905 63 S CB 1.616 64.814 63.200 -0.003 0.000 1.081 63 S HN 0.598 nan 8.310 nan 0.000 0.477 64 I N 1.703 122.253 120.570 -0.033 0.000 2.498 64 I HA 0.393 4.571 4.170 0.013 0.000 0.290 64 I C -0.850 175.227 176.117 -0.067 0.000 1.032 64 I CA -1.016 60.254 61.300 -0.050 0.000 1.073 64 I CB 1.963 39.895 38.000 -0.112 0.000 1.251 64 I HN 0.260 nan 8.210 nan 0.000 0.426 65 V N 7.169 127.060 119.914 -0.037 0.000 2.461 65 V HA 0.374 4.502 4.120 0.013 0.000 0.275 65 V C 0.082 176.130 176.094 -0.077 0.000 1.047 65 V CA -0.125 62.155 62.300 -0.033 0.000 0.955 65 V CB 0.978 32.810 31.823 0.014 0.000 0.988 65 V HN 0.442 nan 8.190 nan 0.000 0.471 66 L N 4.000 125.175 121.223 -0.080 0.000 2.370 66 L HA 0.610 4.958 4.340 0.013 0.000 0.266 66 L C 0.071 176.966 176.870 0.042 0.000 1.002 66 L CA -0.366 54.421 54.840 -0.088 0.000 0.818 66 L CB 2.395 44.329 42.059 -0.209 0.000 1.325 66 L HN 0.507 nan 8.230 nan 0.000 0.418 67 S N 1.203 116.983 115.700 0.133 0.000 2.204 67 S HA 0.287 4.765 4.470 0.013 0.000 0.178 67 S C -2.517 172.207 174.600 0.206 0.000 1.493 67 S CA -0.861 57.423 58.200 0.139 0.000 1.266 67 S CB 0.409 63.674 63.200 0.108 0.000 1.232 67 S HN 0.376 nan 8.310 nan 0.000 0.406 68 P HA 0.059 nan 4.420 nan 0.000 0.261 68 P C -0.308 177.084 177.300 0.154 0.000 1.203 68 P CA -0.059 63.218 63.100 0.294 0.000 0.767 68 P CB 0.293 32.239 31.700 0.411 0.000 0.785 69 K N 3.874 124.323 120.400 0.082 0.000 2.333 69 K HA 0.260 4.587 4.320 0.013 0.000 0.241 69 K C 0.094 176.685 176.600 -0.014 0.000 1.193 69 K CA -0.219 56.087 56.287 0.033 0.000 1.142 69 K CB -0.127 32.382 32.500 0.015 0.000 1.731 69 K HN 0.293 nan 8.250 nan 0.000 0.344 70 V N -1.222 118.692 119.914 0.000 0.000 3.160 70 V HA 0.648 4.775 4.120 0.013 0.000 0.310 70 V C -2.707 173.382 176.094 -0.009 0.000 1.181 70 V CA -2.716 59.549 62.300 -0.057 0.000 1.047 70 V CB 1.499 33.235 31.823 -0.145 0.000 1.068 70 V HN 0.159 nan 8.190 nan 0.000 0.441 71 P HA 0.162 nan 4.420 nan 0.000 0.268 71 P C 0.533 177.858 177.300 0.042 0.000 1.208 71 P CA 0.091 63.195 63.100 0.007 0.000 0.777 71 P CB 0.430 32.126 31.700 -0.007 0.000 0.875 72 Q N 1.958 121.788 119.800 0.050 0.000 2.181 72 Q HA -0.235 4.112 4.340 0.013 0.000 0.205 72 Q C 1.601 177.653 176.000 0.087 0.000 0.980 72 Q CA 1.614 57.456 55.803 0.065 0.000 0.862 72 Q CB -0.060 28.711 28.738 0.054 0.000 0.905 72 Q HN 0.448 nan 8.270 nan 0.000 0.429 73 K N -0.837 119.617 120.400 0.089 0.000 2.362 73 K HA -0.107 4.221 4.320 0.013 0.000 0.200 73 K C 0.681 177.357 176.600 0.127 0.000 1.046 73 K CA 1.381 57.743 56.287 0.125 0.000 0.952 73 K CB 0.236 32.816 32.500 0.133 0.000 0.753 73 K HN 0.137 nan 8.250 nan 0.000 0.466 74 D N 1.118 121.583 120.400 0.110 0.000 2.366 74 D HA 0.073 4.720 4.640 0.013 0.000 0.205 74 D C 1.902 178.387 176.300 0.308 0.000 1.022 74 D CA 0.245 54.344 54.000 0.165 0.000 0.868 74 D CB 0.193 41.020 40.800 0.046 0.000 0.953 74 D HN 0.174 nan 8.370 nan 0.000 0.514 75 L N 1.051 122.412 121.223 0.230 0.000 2.127 75 L HA -0.139 4.209 4.340 0.013 0.000 0.211 75 L C -0.523 176.439 176.870 0.154 0.000 1.089 75 L CA 1.278 56.245 54.840 0.212 0.000 0.757 75 L CB -1.616 40.524 42.059 0.134 0.000 0.899 75 L HN -0.016 nan 8.230 nan 0.000 0.434 76 P HA -0.140 nan 4.420 nan 0.000 0.228 76 P C 1.029 178.384 177.300 0.091 0.000 1.151 76 P CA 1.173 64.369 63.100 0.160 0.000 0.770 76 P CB 0.006 31.825 31.700 0.198 0.000 0.786 77 K N -1.007 119.462 120.400 0.115 0.000 2.444 77 K HA 0.091 4.419 4.320 0.013 0.000 0.193 77 K C 1.502 177.985 176.600 -0.195 0.000 1.024 77 K CA 0.110 56.437 56.287 0.067 0.000 1.077 77 K CB -0.113 32.640 32.500 0.421 0.000 0.833 77 K HN 0.098 nan 8.250 nan 0.000 0.517 78 I N 0.809 121.226 120.570 -0.255 0.000 2.264 78 I HA -0.233 3.945 4.170 0.013 0.000 0.248 78 I C 2.257 178.193 176.117 -0.302 0.000 1.111 78 I CA 1.151 62.248 61.300 -0.339 0.000 1.382 78 I CB -0.887 36.989 38.000 -0.207 0.000 1.060 78 I HN -0.005 nan 8.210 nan 0.000 0.418 79 V N 1.007 120.690 119.914 -0.384 0.000 2.392 79 V HA -0.295 3.833 4.120 0.013 0.000 0.249 79 V C 2.417 178.305 176.094 -0.344 0.000 1.059 79 V CA 1.833 63.874 62.300 -0.432 0.000 1.051 79 V CB -0.488 30.941 31.823 -0.656 0.000 0.658 79 V HN 0.166 nan 8.190 nan 0.000 0.455 80 F N -0.070 119.758 119.950 -0.204 0.000 2.234 80 F HA -0.023 4.511 4.527 0.012 0.000 0.299 80 F C 2.095 177.820 175.800 -0.125 0.000 1.087 80 F CA 1.109 59.020 58.000 -0.149 0.000 1.340 80 F CB -0.923 38.023 39.000 -0.089 0.000 1.031 80 F HN 0.146 nan 8.300 nan 0.000 0.500 81 L N -0.530 120.690 121.223 -0.005 0.000 2.046 81 L HA -0.132 4.216 4.340 0.013 0.000 0.208 81 L C 2.768 179.611 176.870 -0.044 0.000 1.077 81 L CA 1.448 56.261 54.840 -0.045 0.000 0.747 81 L CB -1.451 40.526 42.059 -0.138 0.000 0.896 81 L HN 0.248 nan 8.230 nan 0.000 0.432 82 G N -0.414 108.336 108.800 -0.083 0.000 2.404 82 G HA2 -0.213 3.755 3.960 0.013 0.000 0.215 82 G HA3 -0.213 3.755 3.960 0.013 0.000 0.215 82 G C 1.790 176.660 174.900 -0.050 0.000 1.174 82 G CA 0.790 45.839 45.100 -0.085 0.000 0.780 82 G HN 0.451 nan 8.290 nan 0.000 0.537 83 A N 0.122 122.925 122.820 -0.028 0.000 1.877 83 A HA 0.061 4.388 4.320 0.013 0.000 0.216 83 A C 2.605 180.200 177.584 0.019 0.000 1.186 83 A CA 1.910 53.949 52.037 0.004 0.000 0.620 83 A CB -0.711 18.317 19.000 0.046 0.000 0.822 83 A HN 0.261 nan 8.150 nan 0.000 0.443 84 V N -0.068 119.866 119.914 0.032 0.000 2.427 84 V HA -0.156 3.971 4.120 0.013 0.000 0.248 84 V C 2.807 178.908 176.094 0.013 0.000 1.051 84 V CA 1.851 64.166 62.300 0.025 0.000 1.048 84 V CB -1.415 30.427 31.823 0.032 0.000 0.666 84 V HN 0.623 nan 8.190 nan 0.000 0.456 85 G N -0.195 108.606 108.800 0.002 0.000 2.440 85 G HA2 -0.213 3.755 3.960 0.013 0.000 0.218 85 G HA3 -0.213 3.755 3.960 0.013 0.000 0.218 85 G C 1.677 176.574 174.900 -0.005 0.000 1.154 85 G CA 1.267 46.363 45.100 -0.007 0.000 0.767 85 G HN 0.381 nan 8.290 nan 0.000 0.552 86 V N 0.408 120.316 119.914 -0.009 0.000 2.343 86 V HA -0.166 3.962 4.120 0.013 0.000 0.247 86 V C 3.036 179.139 176.094 0.014 0.000 1.051 86 V CA 1.469 63.766 62.300 -0.004 0.000 1.036 86 V CB -0.353 31.465 31.823 -0.008 0.000 0.654 86 V HN 0.249 nan 8.190 nan 0.000 0.451 87 V N -0.003 119.921 119.914 0.016 0.000 2.332 87 V HA -0.288 3.840 4.120 0.013 0.000 0.248 87 V C 2.423 178.535 176.094 0.030 0.000 1.055 87 V CA 2.199 64.512 62.300 0.021 0.000 1.038 87 V CB -0.678 31.154 31.823 0.016 0.000 0.651 87 V HN 0.642 nan 8.190 nan 0.000 0.450 88 E N -0.349 119.867 120.200 0.027 0.000 2.077 88 E HA -0.194 4.163 4.350 0.013 0.000 0.193 88 E C 2.292 178.926 176.600 0.057 0.000 0.989 88 E CA 1.765 58.183 56.400 0.031 0.000 0.800 88 E CB -0.322 29.391 29.700 0.021 0.000 0.746 88 E HN 0.551 nan 8.360 nan 0.000 0.452 89 T N 1.586 116.183 114.554 0.071 0.000 2.746 89 T HA -0.100 4.258 4.350 0.013 0.000 0.267 89 T C 1.955 176.798 174.700 0.239 0.000 1.039 89 T CA 0.753 62.942 62.100 0.148 0.000 1.142 89 T CB -0.157 68.773 68.868 0.103 0.000 0.866 89 T HN 0.075 nan 8.240 nan 0.000 0.444 90 L N 0.417 121.720 121.223 0.134 0.000 2.046 90 L HA -0.117 4.231 4.340 0.013 0.000 0.208 90 L C 2.616 179.578 176.870 0.154 0.000 1.077 90 L CA 1.442 56.363 54.840 0.134 0.000 0.747 90 L CB -0.436 41.657 42.059 0.057 0.000 0.896 90 L HN 0.216 nan 8.230 nan 0.000 0.432 91 K N -0.032 120.425 120.400 0.095 0.000 2.147 91 K HA -0.181 4.147 4.320 0.013 0.000 0.205 91 K C 1.945 178.572 176.600 0.045 0.000 1.049 91 K CA 1.212 57.534 56.287 0.059 0.000 0.936 91 K CB -0.070 32.447 32.500 0.030 0.000 0.722 91 K HN 0.346 nan 8.250 nan 0.000 0.446 92 E N -0.291 119.938 120.200 0.048 0.000 2.204 92 E HA -0.140 4.218 4.350 0.013 0.000 0.195 92 E C 0.820 177.289 176.600 -0.219 0.000 0.990 92 E CA 0.900 57.248 56.400 -0.087 0.000 0.821 92 E CB 0.031 29.661 29.700 -0.117 0.000 0.750 92 E HN 0.251 nan 8.360 nan 0.000 0.477 93 F N 0.021 119.966 119.950 -0.008 0.000 2.660 93 F HA 0.170 4.702 4.527 0.009 0.000 0.302 93 F C 0.586 176.383 175.800 -0.006 0.000 1.103 93 F CA -0.082 57.914 58.000 -0.007 0.000 1.340 93 F CB 0.476 39.471 39.000 -0.007 0.000 1.048 93 F HN -0.274 nan 8.300 nan 0.000 0.551 94 S N 0.852 116.612 115.700 0.100 0.000 3.698 94 S HA -0.208 4.270 4.470 0.013 0.000 0.338 94 S C 0.037 174.679 174.600 0.069 0.000 1.089 94 S CA 0.233 58.469 58.200 0.061 0.000 0.991 94 S CB -2.106 61.116 63.200 0.037 0.000 0.909 94 S HN 0.327 nan 8.310 nan 0.000 0.485 95 I N 1.357 121.978 120.570 0.085 0.000 2.378 95 I HA 0.262 4.440 4.170 0.013 0.000 0.291 95 I C 0.230 176.369 176.117 0.036 0.000 0.992 95 I CA -0.604 60.730 61.300 0.057 0.000 1.154 95 I CB 1.411 39.448 38.000 0.061 0.000 1.315 95 I HN -0.038 nan 8.210 nan 0.000 0.448 96 D N 6.099 126.510 120.400 0.018 0.000 2.551 96 D HA 0.189 4.837 4.640 0.013 0.000 0.223 96 D C 0.348 176.641 176.300 -0.011 0.000 1.144 96 D CA -0.004 53.997 54.000 0.002 0.000 1.025 96 D CB 0.264 41.061 40.800 -0.005 0.000 1.085 96 D HN 0.629 nan 8.370 nan 0.000 0.506 97 G N 2.618 111.417 108.800 -0.002 0.000 2.372 97 G HA2 0.509 4.477 3.960 0.013 0.000 0.283 97 G HA3 0.509 4.477 3.960 0.013 0.000 0.283 97 G C -0.197 174.690 174.900 -0.022 0.000 1.177 97 G CA -0.699 44.396 45.100 -0.009 0.000 0.842 97 G HN 0.383 nan 8.290 nan 0.000 0.503 98 R N 1.264 121.739 120.500 -0.043 0.000 2.686 98 R HA 0.381 4.728 4.340 0.013 0.000 0.283 98 R C -0.622 175.668 176.300 -0.016 0.000 0.978 98 R CA -0.883 55.186 56.100 -0.052 0.000 0.897 98 R CB 2.525 32.749 30.300 -0.127 0.000 1.192 98 R HN 0.423 nan 8.270 nan 0.000 0.457 99 I N 2.244 122.827 120.570 0.023 0.000 2.371 99 I HA 0.149 4.327 4.170 0.013 0.000 0.290 99 I C 0.292 176.502 176.117 0.154 0.000 1.028 99 I CA -0.145 61.202 61.300 0.077 0.000 1.345 99 I CB 0.900 38.951 38.000 0.084 0.000 1.407 99 I HN 0.336 nan 8.210 nan 0.000 0.501 100 K N 7.449 127.965 120.400 0.193 0.000 2.292 100 K HA 0.126 4.453 4.320 0.013 0.000 0.270 100 K C -0.678 176.074 176.600 0.255 0.000 1.062 100 K CA -0.637 55.841 56.287 0.318 0.000 0.916 100 K CB 0.636 33.343 32.500 0.345 0.000 1.166 100 K HN 0.536 nan 8.250 nan 0.000 0.458 101 W N 8.101 129.465 121.300 0.106 0.000 2.314 101 W HA -0.014 4.653 4.660 0.011 0.000 0.339 101 W C -1.859 174.681 176.519 0.036 0.000 1.293 101 W CA -0.947 56.450 57.345 0.087 0.000 1.288 101 W CB 0.926 30.440 29.460 0.089 0.000 1.186 101 W HN 0.551 nan 8.180 nan 0.000 0.566 102 P HA 0.010 nan 4.420 nan 0.000 0.277 102 P C 0.085 177.093 177.300 -0.487 0.000 1.260 102 P CA 0.700 63.206 63.100 -0.989 0.000 0.878 102 P CB 0.599 31.108 31.700 -1.985 0.000 1.319 103 N N -0.907 117.591 118.700 -0.336 0.000 2.143 103 N HA 0.077 4.825 4.740 0.013 0.000 0.222 103 N C -0.602 174.847 175.510 -0.102 0.000 1.264 103 N CA -0.085 52.823 53.050 -0.238 0.000 0.897 103 N CB 0.192 38.512 38.487 -0.279 0.000 1.092 103 N HN -0.107 nan 8.380 nan 0.000 0.516 104 D N 0.756 121.140 120.400 -0.025 0.000 2.228 104 D HA 0.405 5.053 4.640 0.013 0.000 0.247 104 D C -0.499 175.841 176.300 0.065 0.000 0.995 104 D CA -0.420 53.606 54.000 0.044 0.000 0.903 104 D CB 3.177 44.035 40.800 0.096 0.000 1.205 104 D HN -0.204 nan 8.370 nan 0.000 0.459 105 V N 2.175 122.132 119.914 0.073 0.000 2.487 105 V HA 0.435 4.563 4.120 0.013 0.000 0.298 105 V C 0.009 176.140 176.094 0.062 0.000 1.028 105 V CA -0.688 61.646 62.300 0.057 0.000 0.860 105 V CB 1.605 33.453 31.823 0.041 0.000 0.991 105 V HN 0.308 nan 8.190 nan 0.000 0.427 106 L N 4.512 125.750 121.223 0.025 0.000 2.319 106 L HA 0.814 5.161 4.340 0.013 0.000 0.267 106 L C -0.953 175.892 176.870 -0.042 0.000 1.011 106 L CA -1.104 53.737 54.840 0.001 0.000 0.818 106 L CB 2.346 44.379 42.059 -0.044 0.000 1.316 106 L HN 0.306 nan 8.230 nan 0.000 0.432 107 V N 1.378 121.277 119.914 -0.025 0.000 2.447 107 V HA 0.301 4.429 4.120 0.013 0.000 0.292 107 V C -0.379 175.707 176.094 -0.013 0.000 1.021 107 V CA -0.682 61.602 62.300 -0.027 0.000 0.850 107 V CB 1.318 33.142 31.823 0.003 0.000 1.005 107 V HN 0.873 nan 8.190 nan 0.000 0.426 108 N N 4.385 123.062 118.700 -0.038 0.000 2.740 108 N HA -0.255 4.493 4.740 0.013 0.000 0.248 108 N C 0.155 175.759 175.510 0.157 0.000 1.062 108 N CA 1.213 54.291 53.050 0.048 0.000 0.704 108 N CB -1.198 37.326 38.487 0.061 0.000 0.968 108 N HN 0.966 nan 8.380 nan 0.000 0.547 109 Y N -3.237 117.043 120.300 -0.033 0.000 4.798 109 Y HA -0.333 4.221 4.550 0.007 0.000 0.237 109 Y C 0.595 176.521 175.900 0.042 0.000 1.017 109 Y CA 1.461 59.549 58.100 -0.020 0.000 2.010 109 Y CB -1.399 37.026 38.460 -0.058 0.000 1.582 109 Y HN 0.252 nan 8.280 nan 0.000 0.621 110 K N 1.011 121.488 120.400 0.128 0.000 2.159 110 K HA 0.362 4.689 4.320 0.013 0.000 0.266 110 K C 0.072 176.727 176.600 0.092 0.000 0.975 110 K CA -1.059 55.292 56.287 0.107 0.000 0.865 110 K CB 1.503 34.049 32.500 0.076 0.000 1.087 110 K HN -0.005 nan 8.250 nan 0.000 0.446 111 K N 3.660 124.123 120.400 0.106 0.000 2.363 111 K HA 0.073 4.401 4.320 0.013 0.000 0.289 111 K C 0.423 177.093 176.600 0.116 0.000 1.063 111 K CA 0.091 56.451 56.287 0.122 0.000 0.967 111 K CB 0.297 32.885 32.500 0.147 0.000 0.987 111 K HN 0.617 nan 8.250 nan 0.000 0.473 112 I N 2.833 123.473 120.570 0.117 0.000 3.854 112 I HA 0.188 4.366 4.170 0.013 0.000 0.312 112 I C -0.213 176.012 176.117 0.180 0.000 1.273 112 I CA 0.138 61.506 61.300 0.113 0.000 1.298 112 I CB 0.530 38.567 38.000 0.062 0.000 1.071 112 I HN 0.687 nan 8.210 nan 0.000 0.428 113 A N -0.554 122.393 122.820 0.213 0.000 2.612 113 A HA 0.740 5.068 4.320 0.013 0.000 0.293 113 A C -0.760 176.947 177.584 0.206 0.000 1.075 113 A CA -0.117 52.068 52.037 0.247 0.000 0.680 113 A CB 0.990 20.058 19.000 0.113 0.000 1.279 113 A HN 0.158 nan 8.150 nan 0.000 0.411 114 G N -0.514 108.319 108.800 0.055 0.000 2.620 114 G HA2 0.639 4.607 3.960 0.013 0.000 0.301 114 G HA3 0.639 4.607 3.960 0.013 0.000 0.301 114 G C -1.530 173.188 174.900 -0.304 0.000 1.347 114 G CA -0.496 44.508 45.100 -0.161 0.000 0.971 114 G HN 1.172 nan 8.290 nan 0.000 0.488 115 V N 1.410 121.178 119.914 -0.243 0.000 2.628 115 V HA 0.717 4.845 4.120 0.013 0.000 0.306 115 V C -0.802 175.142 176.094 -0.251 0.000 1.045 115 V CA -0.844 61.312 62.300 -0.241 0.000 0.905 115 V CB 1.709 33.416 31.823 -0.192 0.000 0.997 115 V HN 0.703 nan 8.190 nan 0.000 0.436 116 L N 5.377 126.455 121.223 -0.242 0.000 2.441 116 L HA 0.701 5.048 4.340 0.013 0.000 0.270 116 L C -0.898 175.883 176.870 -0.148 0.000 0.973 116 L CA -0.049 54.676 54.840 -0.190 0.000 0.842 116 L CB 1.939 43.868 42.059 -0.217 0.000 1.239 116 L HN 0.445 nan 8.230 nan 0.000 0.406 117 V N 4.369 124.217 119.914 -0.110 0.000 2.435 117 V HA 0.582 4.710 4.120 0.013 0.000 0.290 117 V C -0.325 175.740 176.094 -0.048 0.000 1.030 117 V CA -0.561 61.687 62.300 -0.086 0.000 0.881 117 V CB 1.675 33.445 31.823 -0.089 0.000 0.983 117 V HN 0.749 nan 8.190 nan 0.000 0.445 118 E N 2.533 122.708 120.200 -0.042 0.000 2.256 118 E HA 0.694 5.052 4.350 0.013 0.000 0.268 118 E C -0.269 176.317 176.600 -0.024 0.000 0.877 118 E CA -0.563 55.823 56.400 -0.024 0.000 0.757 118 E CB 2.569 32.265 29.700 -0.007 0.000 1.183 118 E HN 0.854 nan 8.360 nan 0.000 0.418 119 G N 1.629 110.417 108.800 -0.020 0.000 2.638 119 G HA2 0.546 4.514 3.960 0.013 0.000 0.302 119 G HA3 0.546 4.514 3.960 0.013 0.000 0.302 119 G C -0.948 173.945 174.900 -0.011 0.000 1.365 119 G CA -0.693 44.400 45.100 -0.012 0.000 0.987 119 G HN 0.226 nan 8.290 nan 0.000 0.495 120 K N 1.421 121.816 120.400 -0.008 0.000 2.920 120 K HA 0.610 4.938 4.320 0.013 0.000 0.175 120 K C 0.725 177.327 176.600 0.004 0.000 1.099 120 K CA 0.272 56.554 56.287 -0.007 0.000 0.939 120 K CB 1.091 33.580 32.500 -0.018 0.000 1.148 120 K HN 1.410 nan 8.250 nan 0.000 0.613 121 G N 1.483 110.290 108.800 0.011 0.000 2.554 121 G HA2 -0.393 3.574 3.960 0.013 0.000 0.253 121 G HA3 -0.393 3.574 3.960 0.013 0.000 0.253 121 G C 0.555 175.473 174.900 0.030 0.000 1.172 121 G CA 0.225 45.337 45.100 0.020 0.000 0.950 121 G HN 0.537 nan 8.290 nan 0.000 0.557 122 D N 1.331 121.752 120.400 0.034 0.000 2.392 122 D HA 0.129 4.776 4.640 0.013 0.000 0.228 122 D C 0.767 177.095 176.300 0.047 0.000 1.003 122 D CA 1.516 55.542 54.000 0.044 0.000 0.917 122 D CB -0.061 40.765 40.800 0.044 0.000 0.890 122 D HN 0.544 nan 8.370 nan 0.000 0.532 123 K N 0.542 120.962 120.400 0.034 0.000 2.507 123 K HA 0.324 4.652 4.320 0.013 0.000 0.252 123 K C -1.516 175.092 176.600 0.012 0.000 0.943 123 K CA -0.790 55.513 56.287 0.025 0.000 0.808 123 K CB 0.958 33.467 32.500 0.015 0.000 1.142 123 K HN -0.108 nan 8.250 nan 0.000 0.426 124 I N 4.467 125.043 120.570 0.010 0.000 2.433 124 I HA 0.330 4.508 4.170 0.013 0.000 0.292 124 I C -0.478 175.619 176.117 -0.034 0.000 1.001 124 I CA -0.998 60.298 61.300 -0.007 0.000 1.119 124 I CB 1.773 39.776 38.000 0.006 0.000 1.289 124 I HN 0.325 nan 8.210 nan 0.000 0.438 125 V N 6.627 126.515 119.914 -0.043 0.000 2.384 125 V HA 0.332 4.460 4.120 0.013 0.000 0.287 125 V C -0.277 175.769 176.094 -0.079 0.000 1.020 125 V CA -0.738 61.529 62.300 -0.055 0.000 0.850 125 V CB 2.110 33.909 31.823 -0.040 0.000 0.987 125 V HN 0.461 nan 8.190 nan 0.000 0.436 126 L N 5.714 126.876 121.223 -0.101 0.000 2.262 126 L HA 0.824 5.172 4.340 0.013 0.000 0.288 126 L C 0.476 177.275 176.870 -0.119 0.000 1.035 126 L CA 0.256 55.021 54.840 -0.125 0.000 0.820 126 L CB 0.760 42.726 42.059 -0.155 0.000 1.204 126 L HN 0.653 nan 8.230 nan 0.000 0.424 127 G N 6.135 114.851 108.800 -0.140 0.000 2.356 127 G HA2 0.666 4.634 3.960 0.013 0.000 0.322 127 G HA3 0.666 4.634 3.960 0.013 0.000 0.322 127 G C -0.961 173.827 174.900 -0.187 0.000 1.125 127 G CA -0.458 44.547 45.100 -0.159 0.000 0.885 127 G HN 0.600 nan 8.290 nan 0.000 0.467 128 I N 1.260 121.741 120.570 -0.148 0.000 2.534 128 I HA 0.483 4.661 4.170 0.013 0.000 0.288 128 I C 0.226 176.304 176.117 -0.065 0.000 1.077 128 I CA -0.859 60.359 61.300 -0.137 0.000 1.051 128 I CB 2.696 40.645 38.000 -0.084 0.000 1.234 128 I HN 0.595 nan 8.210 nan 0.000 0.425 129 G N 6.176 114.916 108.800 -0.100 0.000 2.487 129 G HA2 0.653 4.621 3.960 0.013 0.000 0.314 129 G HA3 0.653 4.621 3.960 0.013 0.000 0.314 129 G C -1.666 173.471 174.900 0.396 0.000 1.267 129 G CA -0.362 44.917 45.100 0.299 0.000 0.937 129 G HN 0.379 nan 8.290 nan 0.000 0.481 130 L N 2.261 123.633 121.223 0.249 0.000 2.376 130 L HA 0.517 4.865 4.340 0.013 0.000 0.275 130 L C -0.921 175.925 176.870 -0.041 0.000 0.987 130 L CA -1.072 53.830 54.840 0.103 0.000 0.828 130 L CB 1.705 43.742 42.059 -0.037 0.000 1.249 130 L HN 0.355 nan 8.230 nan 0.000 0.409 131 N N 4.070 122.833 118.700 0.104 0.000 2.442 131 N HA 0.233 4.981 4.740 0.013 0.000 0.265 131 N C 0.360 175.829 175.510 -0.068 0.000 1.138 131 N CA -0.052 53.025 53.050 0.045 0.000 0.956 131 N CB 1.992 40.552 38.487 0.120 0.000 1.067 131 N HN 0.561 nan 8.380 nan 0.000 0.474 132 V N 2.448 122.277 119.914 -0.142 0.000 3.204 132 V HA 0.088 4.216 4.120 0.013 0.000 0.218 132 V C 1.253 177.290 176.094 -0.095 0.000 1.159 132 V CA 0.462 62.671 62.300 -0.152 0.000 1.282 132 V CB -0.015 31.678 31.823 -0.217 0.000 1.225 132 V HN 0.578 nan 8.190 nan 0.000 0.509 133 N N 1.097 119.747 118.700 -0.082 0.000 2.184 133 N HA 0.094 4.842 4.740 0.013 0.000 0.206 133 N C 0.153 175.660 175.510 -0.006 0.000 1.151 133 N CA -0.070 52.955 53.050 -0.041 0.000 0.878 133 N CB 0.068 38.531 38.487 -0.041 0.000 1.014 133 N HN 0.654 nan 8.380 nan 0.000 0.512 134 N N 1.636 120.345 118.700 0.016 0.000 2.424 134 N HA 0.019 4.767 4.740 0.013 0.000 0.257 134 N C 0.067 175.607 175.510 0.051 0.000 1.250 134 N CA -0.172 52.918 53.050 0.066 0.000 0.946 134 N CB 1.221 39.812 38.487 0.172 0.000 1.175 134 N HN 0.068 nan 8.380 nan 0.000 0.477 135 K N -0.835 119.591 120.400 0.043 0.000 2.295 135 K HA 0.359 4.686 4.320 0.013 0.000 0.270 135 K C 0.176 176.782 176.600 0.010 0.000 1.011 135 K CA -0.857 55.441 56.287 0.017 0.000 0.953 135 K CB 0.739 33.243 32.500 0.006 0.000 0.956 135 K HN 0.486 nan 8.250 nan 0.000 0.477 136 V N -1.619 118.289 119.914 -0.010 0.000 2.960 136 V HA 0.592 4.719 4.120 0.013 0.000 0.315 136 V C -2.230 173.825 176.094 -0.065 0.000 1.087 136 V CA -2.021 60.255 62.300 -0.040 0.000 0.982 136 V CB 1.064 32.875 31.823 -0.021 0.000 1.039 136 V HN 0.969 nan 8.190 nan 0.000 0.437 137 P HA 0.295 nan 4.420 nan 0.000 0.302 137 P C -0.445 176.813 177.300 -0.069 0.000 1.307 137 P CA -0.730 62.307 63.100 -0.105 0.000 0.754 137 P CB 0.484 32.085 31.700 -0.166 0.000 1.298 138 N N -0.914 117.752 118.700 -0.056 0.000 2.412 138 N HA 0.197 4.945 4.740 0.013 0.000 0.258 138 N C 1.109 176.609 175.510 -0.016 0.000 1.236 138 N CA 0.896 53.929 53.050 -0.028 0.000 0.882 138 N CB -0.292 38.182 38.487 -0.022 0.000 1.066 138 N HN 0.788 nan 8.380 nan 0.000 0.465 139 G N 0.283 109.086 108.800 0.006 0.000 2.162 139 G HA2 -0.259 3.709 3.960 0.013 0.000 0.260 139 G HA3 -0.259 3.709 3.960 0.013 0.000 0.260 139 G C 0.078 175.000 174.900 0.038 0.000 0.976 139 G CA 0.296 45.415 45.100 0.031 0.000 0.655 139 G HN 0.837 nan 8.290 nan 0.000 0.533 140 A N -1.662 121.165 122.820 0.012 0.000 2.309 140 A HA 1.008 5.335 4.320 0.013 0.000 0.317 140 A C 0.215 177.813 177.584 0.023 0.000 1.134 140 A CA 0.614 52.661 52.037 0.017 0.000 0.866 140 A CB 1.885 20.868 19.000 -0.029 0.000 1.329 140 A HN 1.351 nan 8.150 nan 0.000 0.477 141 T N -1.392 113.181 114.554 0.033 0.000 2.731 141 T HA 0.690 5.048 4.350 0.013 0.000 0.300 141 T C -0.785 173.934 174.700 0.031 0.000 1.283 141 T CA 0.274 62.391 62.100 0.029 0.000 1.005 141 T CB 1.233 70.121 68.868 0.032 0.000 1.420 141 T HN 1.925 nan 8.240 nan 0.000 0.503 142 S N 0.415 116.126 115.700 0.018 0.000 2.651 142 S HA 0.498 4.975 4.470 0.013 0.000 0.279 142 S C 1.189 175.781 174.600 -0.012 0.000 1.148 142 S CA -0.884 57.320 58.200 0.007 0.000 0.837 142 S CB 1.223 64.424 63.200 0.003 0.000 1.138 142 S HN 0.734 nan 8.310 nan 0.000 0.478 143 M N 1.129 120.703 119.600 -0.043 0.000 2.117 143 M HA -0.059 4.429 4.480 0.013 0.000 0.262 143 M C 2.307 178.584 176.300 -0.039 0.000 1.065 143 M CA 1.781 57.044 55.300 -0.061 0.000 1.114 143 M CB -0.539 31.974 32.600 -0.146 0.000 1.361 143 M HN 0.879 nan 8.290 nan 0.000 0.408 144 K N 1.123 121.499 120.400 -0.039 0.000 2.057 144 K HA -0.147 4.181 4.320 0.013 0.000 0.207 144 K C 1.766 178.363 176.600 -0.005 0.000 1.049 144 K CA 1.287 57.561 56.287 -0.021 0.000 0.931 144 K CB -0.129 32.358 32.500 -0.021 0.000 0.714 144 K HN 0.297 nan 8.250 nan 0.000 0.440 145 L N 0.852 122.073 121.223 -0.002 0.000 2.093 145 L HA -0.146 4.201 4.340 0.013 0.000 0.208 145 L C 2.401 179.276 176.870 0.009 0.000 1.085 145 L CA 0.975 55.818 54.840 0.005 0.000 0.755 145 L CB -0.266 41.798 42.059 0.007 0.000 0.904 145 L HN 0.217 nan 8.230 nan 0.000 0.435 146 E N -0.030 120.175 120.200 0.009 0.000 2.158 146 E HA -0.074 4.284 4.350 0.013 0.000 0.191 146 E C 2.277 178.888 176.600 0.018 0.000 0.982 146 E CA 0.936 57.344 56.400 0.014 0.000 0.823 146 E CB 0.028 29.737 29.700 0.015 0.000 0.766 146 E HN 0.490 nan 8.360 nan 0.000 0.468 147 L N -0.642 120.593 121.223 0.019 0.000 2.375 147 L HA 0.125 4.473 4.340 0.013 0.000 0.215 147 L C 1.458 178.341 176.870 0.022 0.000 1.108 147 L CA 0.607 55.464 54.840 0.028 0.000 0.830 147 L CB -0.037 42.046 42.059 0.041 0.000 0.959 147 L HN 0.256 nan 8.230 nan 0.000 0.457 148 G N 0.470 109.280 108.800 0.016 0.000 2.159 148 G HA2 -0.268 3.699 3.960 0.013 0.000 0.256 148 G HA3 -0.268 3.699 3.960 0.013 0.000 0.256 148 G C 0.200 175.107 174.900 0.013 0.000 0.977 148 G CA 0.311 45.419 45.100 0.013 0.000 0.652 148 G HN 0.502 nan 8.290 nan 0.000 0.531 149 S N -1.430 114.279 115.700 0.014 0.000 2.547 149 S HA 0.643 5.121 4.470 0.013 0.000 0.270 149 S C -0.658 173.947 174.600 0.009 0.000 1.150 149 S CA -0.113 58.095 58.200 0.014 0.000 0.850 149 S CB 2.277 65.489 63.200 0.021 0.000 1.118 149 S HN 0.703 nan 8.310 nan 0.000 0.461 150 E N 0.635 120.838 120.200 0.005 0.000 2.392 150 E HA 0.429 4.786 4.350 0.013 0.000 0.264 150 E C -1.075 175.526 176.600 0.001 0.000 1.024 150 E CA -0.442 55.955 56.400 -0.005 0.000 0.903 150 E CB 0.636 30.333 29.700 -0.004 0.000 0.963 150 E HN 0.515 nan 8.360 nan 0.000 0.432 151 V N 5.763 125.661 119.914 -0.027 0.000 2.540 151 V HA 0.284 4.411 4.120 0.013 0.000 0.302 151 V C -2.288 173.783 176.094 -0.039 0.000 1.035 151 V CA -2.052 60.232 62.300 -0.027 0.000 0.873 151 V CB 1.498 33.239 31.823 -0.137 0.000 0.992 151 V HN 0.759 nan 8.190 nan 0.000 0.428 152 P HA 0.029 nan 4.420 nan 0.000 0.261 152 P C 0.657 177.944 177.300 -0.021 0.000 1.203 152 P CA -0.018 63.088 63.100 0.011 0.000 0.767 152 P CB 0.560 32.293 31.700 0.056 0.000 0.785 153 L N 5.445 126.637 121.223 -0.051 0.000 2.042 153 L HA -0.173 4.174 4.340 0.013 0.000 0.210 153 L C 1.788 178.651 176.870 -0.012 0.000 1.076 153 L CA 1.835 56.632 54.840 -0.072 0.000 0.749 153 L CB -1.250 40.754 42.059 -0.091 0.000 0.893 153 L HN 0.297 nan 8.230 nan 0.000 0.432 154 L N -1.314 119.908 121.223 -0.001 0.000 2.083 154 L HA -0.154 4.194 4.340 0.013 0.000 0.209 154 L C 2.432 179.388 176.870 0.143 0.000 1.083 154 L CA 1.906 56.774 54.840 0.046 0.000 0.752 154 L CB -0.797 41.257 42.059 -0.009 0.000 0.899 154 L HN 0.263 nan 8.230 nan 0.000 0.433 155 S N -1.175 114.602 115.700 0.128 0.000 2.382 155 S HA -0.133 4.345 4.470 0.013 0.000 0.228 155 S C 1.934 176.697 174.600 0.271 0.000 1.027 155 S CA 1.354 59.681 58.200 0.212 0.000 0.991 155 S CB -0.360 63.007 63.200 0.278 0.000 0.823 155 S HN 0.365 nan 8.310 nan 0.000 0.469 156 V N 1.238 121.224 119.914 0.120 0.000 2.358 156 V HA -0.135 3.993 4.120 0.013 0.000 0.246 156 V C 1.841 177.981 176.094 0.075 0.000 1.047 156 V CA 1.673 63.965 62.300 -0.013 0.000 1.035 156 V CB -0.758 30.909 31.823 -0.259 0.000 0.658 156 V HN 0.505 nan 8.190 nan 0.000 0.452 157 F N 1.442 121.372 119.950 -0.034 0.000 2.075 157 F HA -0.189 4.345 4.527 0.011 0.000 0.297 157 F C 2.622 178.429 175.800 0.011 0.000 1.113 157 F CA 1.832 59.818 58.000 -0.024 0.000 1.218 157 F CB -0.274 38.708 39.000 -0.030 0.000 0.984 157 F HN -0.060 nan 8.300 nan 0.000 0.472 158 R N -0.320 120.269 120.500 0.148 0.000 2.083 158 R HA -0.185 4.162 4.340 0.013 0.000 0.237 158 R C 2.630 178.907 176.300 -0.038 0.000 1.137 158 R CA 1.569 57.691 56.100 0.037 0.000 0.951 158 R CB -0.977 29.399 30.300 0.127 0.000 0.851 158 R HN 0.370 nan 8.270 nan 0.000 0.434 159 S N 0.917 116.644 115.700 0.045 0.000 2.359 159 S HA -0.146 4.332 4.470 0.013 0.000 0.224 159 S C 1.926 176.517 174.600 -0.014 0.000 1.035 159 S CA 1.185 59.420 58.200 0.058 0.000 1.018 159 S CB -0.197 63.136 63.200 0.220 0.000 0.876 159 S HN 0.232 nan 8.310 nan 0.000 0.448 160 L N 1.569 122.756 121.223 -0.060 0.000 2.046 160 L HA 0.027 4.375 4.340 0.013 0.000 0.208 160 L C 2.088 178.853 176.870 -0.175 0.000 1.077 160 L CA 1.625 56.401 54.840 -0.108 0.000 0.747 160 L CB -0.707 41.275 42.059 -0.128 0.000 0.896 160 L HN 0.325 nan 8.230 nan 0.000 0.432 161 I N -0.650 119.731 120.570 -0.315 0.000 2.226 161 I HA -0.249 3.929 4.170 0.013 0.000 0.245 161 I C 2.373 178.399 176.117 -0.152 0.000 1.100 161 I CA 1.513 62.627 61.300 -0.311 0.000 1.374 161 I CB -1.818 35.870 38.000 -0.519 0.000 1.057 161 I HN 0.284 nan 8.210 nan 0.000 0.413 162 T N 1.443 115.930 114.554 -0.112 0.000 2.746 162 T HA -0.132 4.226 4.350 0.013 0.000 0.267 162 T C 1.757 176.439 174.700 -0.029 0.000 1.039 162 T CA 1.365 63.435 62.100 -0.050 0.000 1.142 162 T CB -0.180 68.670 68.868 -0.031 0.000 0.866 162 T HN 0.283 nan 8.240 nan 0.000 0.444 163 N N 1.210 119.891 118.700 -0.031 0.000 2.142 163 N HA 0.041 4.788 4.740 0.013 0.000 0.186 163 N C 1.923 177.431 175.510 -0.004 0.000 1.023 163 N CA 0.846 53.890 53.050 -0.011 0.000 0.852 163 N CB -0.497 37.985 38.487 -0.007 0.000 0.998 163 N HN 0.342 nan 8.380 nan 0.000 0.424 164 L N 0.625 121.831 121.223 -0.029 0.000 2.046 164 L HA -0.171 4.177 4.340 0.013 0.000 0.208 164 L C 2.066 178.957 176.870 0.034 0.000 1.077 164 L CA 1.172 56.000 54.840 -0.019 0.000 0.747 164 L CB -0.437 41.577 42.059 -0.075 0.000 0.896 164 L HN 0.086 nan 8.230 nan 0.000 0.432 165 D N 0.068 120.481 120.400 0.022 0.000 2.097 165 D HA -0.237 4.410 4.640 0.013 0.000 0.195 165 D C 2.330 178.694 176.300 0.106 0.000 0.989 165 D CA 1.240 55.285 54.000 0.076 0.000 0.827 165 D CB 0.076 40.900 40.800 0.039 0.000 0.966 165 D HN 0.050 nan 8.370 nan 0.000 0.456 166 R N -0.257 120.282 120.500 0.064 0.000 2.073 166 R HA -0.089 4.259 4.340 0.013 0.000 0.234 166 R C 2.468 178.817 176.300 0.082 0.000 1.134 166 R CA 1.092 57.228 56.100 0.059 0.000 0.952 166 R CB -0.368 29.953 30.300 0.035 0.000 0.850 166 R HN 0.254 nan 8.270 nan 0.000 0.433 167 L N -0.351 120.925 121.223 0.089 0.000 2.042 167 L HA -0.223 4.125 4.340 0.013 0.000 0.210 167 L C 2.473 179.452 176.870 0.183 0.000 1.076 167 L CA 1.411 56.317 54.840 0.110 0.000 0.749 167 L CB -0.630 41.477 42.059 0.079 0.000 0.893 167 L HN 0.276 nan 8.230 nan 0.000 0.432 168 Y N 0.461 120.794 120.300 0.054 0.000 2.200 168 Y HA -0.207 4.351 4.550 0.013 0.000 0.290 168 Y C 2.314 178.304 175.900 0.151 0.000 1.137 168 Y CA 1.308 59.466 58.100 0.097 0.000 1.163 168 Y CB -0.228 38.257 38.460 0.042 0.000 0.988 168 Y HN -0.008 nan 8.280 nan 0.000 0.518 169 L N 0.024 121.283 121.223 0.061 0.000 2.042 169 L HA -0.269 4.079 4.340 0.013 0.000 0.210 169 L C 2.255 179.098 176.870 -0.045 0.000 1.076 169 L CA 1.934 56.750 54.840 -0.040 0.000 0.749 169 L CB -0.670 41.404 42.059 0.025 0.000 0.893 169 L HN 0.250 nan 8.230 nan 0.000 0.432 170 N N -0.047 118.667 118.700 0.023 0.000 2.270 170 N HA -0.223 4.525 4.740 0.013 0.000 0.181 170 N C 1.700 177.228 175.510 0.030 0.000 1.016 170 N CA 0.854 53.917 53.050 0.021 0.000 0.870 170 N CB -0.152 38.362 38.487 0.045 0.000 0.979 170 N HN 0.231 nan 8.380 nan 0.000 0.431 171 F N 0.912 120.812 119.950 -0.083 0.000 2.171 171 F HA 0.001 4.537 4.527 0.014 0.000 0.300 171 F C 1.677 177.396 175.800 -0.136 0.000 1.090 171 F CA 1.108 59.062 58.000 -0.077 0.000 1.293 171 F CB -0.203 38.779 39.000 -0.030 0.000 1.013 171 F HN 0.045 nan 8.300 nan 0.000 0.486 172 L N -0.085 120.993 121.223 -0.241 0.000 2.131 172 L HA -0.206 4.142 4.340 0.013 0.000 0.210 172 L C 2.285 179.000 176.870 -0.259 0.000 1.092 172 L CA 1.489 56.138 54.840 -0.318 0.000 0.759 172 L CB -0.581 41.302 42.059 -0.293 0.000 0.903 172 L HN 0.111 nan 8.230 nan 0.000 0.435 173 K N -0.539 119.749 120.400 -0.188 0.000 2.202 173 K HA 0.086 4.414 4.320 0.013 0.000 0.201 173 K C 0.221 176.733 176.600 -0.146 0.000 1.051 173 K CA 0.511 56.715 56.287 -0.138 0.000 0.977 173 K CB 0.319 32.767 32.500 -0.087 0.000 0.792 173 K HN 0.214 nan 8.250 nan 0.000 0.469 174 N N 1.324 119.933 118.700 -0.151 0.000 2.750 174 N HA 0.112 4.859 4.740 0.013 0.000 0.253 174 N C -2.426 172.987 175.510 -0.161 0.000 1.408 174 N CA -0.964 52.009 53.050 -0.128 0.000 0.780 174 N CB 1.488 39.938 38.487 -0.061 0.000 1.191 174 N HN -0.016 nan 8.380 nan 0.000 0.511 175 P HA -0.085 nan 4.420 nan 0.000 0.226 175 P C 1.077 178.346 177.300 -0.050 0.000 1.146 175 P CA 0.842 63.671 63.100 -0.452 0.000 0.773 175 P CB 0.413 31.692 31.700 -0.702 0.000 0.772 176 M N -0.851 118.722 119.600 -0.046 0.000 2.476 176 M HA 0.012 4.500 4.480 0.013 0.000 0.262 176 M C 1.214 177.535 176.300 0.035 0.000 1.111 176 M CA 0.888 56.188 55.300 -0.001 0.000 1.127 176 M CB -1.285 31.289 32.600 -0.043 0.000 1.376 176 M HN -0.126 nan 8.290 nan 0.000 0.465 177 D N 1.109 121.533 120.400 0.039 0.000 2.149 177 D HA -0.160 4.487 4.640 0.013 0.000 0.198 177 D C 1.848 178.187 176.300 0.066 0.000 0.990 177 D CA 0.981 55.007 54.000 0.044 0.000 0.839 177 D CB -0.277 40.548 40.800 0.041 0.000 0.948 177 D HN 0.250 nan 8.370 nan 0.000 0.460 178 I N 0.631 121.279 120.570 0.130 0.000 2.335 178 I HA -0.209 3.969 4.170 0.013 0.000 0.251 178 I C 1.946 178.080 176.117 0.029 0.000 1.129 178 I CA 0.960 62.332 61.300 0.119 0.000 1.402 178 I CB -0.154 37.977 38.000 0.218 0.000 1.069 178 I HN 0.001 nan 8.210 nan 0.000 0.424 179 L N -0.116 121.117 121.223 0.018 0.000 2.083 179 L HA -0.224 4.124 4.340 0.013 0.000 0.209 179 L C 2.072 178.897 176.870 -0.075 0.000 1.083 179 L CA 1.525 56.320 54.840 -0.076 0.000 0.752 179 L CB -0.880 41.163 42.059 -0.026 0.000 0.899 179 L HN 0.281 nan 8.230 nan 0.000 0.433 180 N N -0.135 118.548 118.700 -0.030 0.000 2.244 180 N HA -0.097 4.651 4.740 0.013 0.000 0.183 180 N C 1.879 177.372 175.510 -0.027 0.000 1.016 180 N CA 0.906 53.942 53.050 -0.024 0.000 0.866 180 N CB -0.136 38.346 38.487 -0.009 0.000 0.980 180 N HN 0.225 nan 8.380 nan 0.000 0.430 181 L N -0.398 120.812 121.223 -0.022 0.000 2.093 181 L HA -0.067 4.281 4.340 0.013 0.000 0.208 181 L C 1.902 178.750 176.870 -0.037 0.000 1.085 181 L CA 0.637 55.467 54.840 -0.016 0.000 0.755 181 L CB -0.426 41.636 42.059 0.004 0.000 0.904 181 L HN 0.050 nan 8.230 nan 0.000 0.435 182 V N -0.067 119.795 119.914 -0.087 0.000 2.295 182 V HA -0.258 3.870 4.120 0.013 0.000 0.246 182 V C 2.653 178.696 176.094 -0.084 0.000 1.049 182 V CA 1.651 63.872 62.300 -0.133 0.000 1.024 182 V CB -0.605 30.991 31.823 -0.379 0.000 0.648 182 V HN 0.409 nan 8.190 nan 0.000 0.447 183 R N 0.164 120.615 120.500 -0.082 0.000 2.103 183 R HA -0.186 4.162 4.340 0.013 0.000 0.242 183 R C 1.931 178.219 176.300 -0.020 0.000 1.142 183 R CA 1.828 57.903 56.100 -0.043 0.000 0.960 183 R CB -0.545 29.734 30.300 -0.036 0.000 0.858 183 R HN 0.550 nan 8.270 nan 0.000 0.439 184 D N -0.121 120.267 120.400 -0.020 0.000 2.348 184 D HA -0.049 4.599 4.640 0.013 0.000 0.216 184 D C 0.689 176.985 176.300 -0.008 0.000 0.970 184 D CA 0.803 54.797 54.000 -0.011 0.000 0.889 184 D CB -0.018 40.777 40.800 -0.009 0.000 0.912 184 D HN 0.228 nan 8.370 nan 0.000 0.524 185 N N 0.120 118.814 118.700 -0.009 0.000 2.197 185 N HA 0.099 4.847 4.740 0.013 0.000 0.228 185 N C 0.221 175.733 175.510 0.005 0.000 1.212 185 N CA -0.012 53.036 53.050 -0.004 0.000 0.883 185 N CB 1.149 39.636 38.487 -0.001 0.000 1.107 185 N HN 0.312 nan 8.380 nan 0.000 0.519 186 M N -0.929 118.680 119.600 0.014 0.000 2.598 186 M HA 0.547 5.035 4.480 0.013 0.000 0.317 186 M C -0.556 175.771 176.300 0.045 0.000 1.201 186 M CA -0.623 54.706 55.300 0.048 0.000 0.971 186 M CB 1.510 34.158 32.600 0.080 0.000 1.657 186 M HN -0.259 nan 8.290 nan 0.000 0.470 187 I N 3.451 124.067 120.570 0.076 0.000 2.421 187 I HA 0.258 4.436 4.170 0.013 0.000 0.291 187 I C -0.640 175.563 176.117 0.144 0.000 1.089 187 I CA -0.002 61.329 61.300 0.051 0.000 1.354 187 I CB -0.003 37.978 38.000 -0.031 0.000 1.413 187 I HN 0.606 nan 8.210 nan 0.000 0.513 188 L N 4.374 125.651 121.223 0.091 0.000 2.277 188 L HA 0.648 4.996 4.340 0.013 0.000 0.254 188 L C 1.013 177.933 176.870 0.084 0.000 1.044 188 L CA -0.783 54.115 54.840 0.097 0.000 0.842 188 L CB 1.779 43.870 42.059 0.055 0.000 1.422 188 L HN 0.725 nan 8.230 nan 0.000 0.422 189 G N 0.582 109.428 108.800 0.078 0.000 2.155 189 G HA2 -0.183 3.785 3.960 0.013 0.000 0.257 189 G HA3 -0.183 3.785 3.960 0.013 0.000 0.257 189 G C -0.264 174.685 174.900 0.081 0.000 0.983 189 G CA 0.308 45.447 45.100 0.065 0.000 0.676 189 G HN 0.741 nan 8.290 nan 0.000 0.528 190 V N -3.700 116.290 119.914 0.126 0.000 3.074 190 V HA 0.865 4.992 4.120 0.013 0.000 0.314 190 V C 0.477 176.676 176.094 0.175 0.000 1.117 190 V CA -1.584 60.802 62.300 0.144 0.000 1.014 190 V CB 1.722 33.646 31.823 0.169 0.000 1.057 190 V HN 0.406 nan 8.190 nan 0.000 0.438 191 R N 0.886 121.476 120.500 0.149 0.000 2.438 191 R HA 0.678 5.026 4.340 0.013 0.000 0.287 191 R C -0.495 175.912 176.300 0.179 0.000 1.077 191 R CA 0.163 56.342 56.100 0.131 0.000 1.034 191 R CB 1.245 31.598 30.300 0.087 0.000 0.993 191 R HN 1.107 nan 8.270 nan 0.000 0.459 192 V N -0.107 119.869 119.914 0.102 0.000 3.130 192 V HA 0.590 4.717 4.120 0.013 0.000 0.310 192 V C -1.252 174.811 176.094 -0.052 0.000 1.158 192 V CA -1.077 61.231 62.300 0.013 0.000 1.029 192 V CB 2.060 33.834 31.823 -0.082 0.000 1.057 192 V HN 0.743 nan 8.190 nan 0.000 0.436 193 K N 2.491 122.819 120.400 -0.120 0.000 2.358 193 K HA 0.613 4.940 4.320 0.013 0.000 0.260 193 K C -0.987 175.459 176.600 -0.257 0.000 0.956 193 K CA -0.799 55.391 56.287 -0.162 0.000 0.834 193 K CB 1.426 33.867 32.500 -0.099 0.000 1.102 193 K HN 0.708 nan 8.250 nan 0.000 0.431 200 F N -0.332 119.623 119.950 0.008 0.000 2.741 200 F HA 0.820 5.356 4.527 0.014 0.000 0.311 200 F C -1.114 174.687 175.800 0.002 0.000 1.149 200 F CA -0.860 57.142 58.000 0.004 0.000 0.930 200 F CB 0.881 39.882 39.000 0.001 0.000 1.312 200 F HN 0.477 nan 8.300 nan 0.000 0.450 201 E N 0.393 120.747 120.200 0.258 0.000 2.299 201 E HA 0.806 5.164 4.350 0.013 0.000 0.265 201 E C -0.524 176.203 176.600 0.212 0.000 0.911 201 E CA -1.335 55.151 56.400 0.144 0.000 0.789 201 E CB 2.614 32.357 29.700 0.073 0.000 1.246 201 E HN 1.142 nan 8.360 nan 0.000 0.427 202 G N 0.404 109.290 108.800 0.143 0.000 2.320 202 G HA2 0.352 4.319 3.960 0.013 0.000 0.296 202 G HA3 0.352 4.319 3.960 0.013 0.000 0.296 202 G C -1.764 173.191 174.900 0.093 0.000 1.306 202 G CA -0.927 44.247 45.100 0.122 0.000 0.836 202 G HN 0.249 nan 8.290 nan 0.000 0.517 203 I N 1.578 122.193 120.570 0.075 0.000 2.371 203 I HA 0.534 4.712 4.170 0.013 0.000 0.290 203 I C 1.095 177.248 176.117 0.061 0.000 1.028 203 I CA -0.393 60.949 61.300 0.071 0.000 1.345 203 I CB 1.484 39.517 38.000 0.055 0.000 1.407 203 I HN 0.720 nan 8.210 nan 0.000 0.501 204 A N 6.617 129.481 122.820 0.073 0.000 2.457 204 A HA 0.251 4.579 4.320 0.013 0.000 0.298 204 A C 1.095 178.699 177.584 0.033 0.000 1.288 204 A CA -0.263 51.798 52.037 0.040 0.000 0.956 204 A CB -0.216 18.833 19.000 0.082 0.000 1.135 204 A HN 0.745 nan 8.150 nan 0.000 0.535 205 E N 1.054 121.256 120.200 0.005 0.000 2.086 205 E HA 0.037 4.394 4.350 0.013 0.000 0.190 205 E C 0.124 176.722 176.600 -0.004 0.000 0.975 205 E CA 0.987 57.390 56.400 0.005 0.000 0.813 205 E CB 0.213 29.913 29.700 0.001 0.000 0.768 205 E HN 0.851 nan 8.360 nan 0.000 0.457 206 D N -1.426 118.956 120.400 -0.030 0.000 2.893 206 D HA 0.174 4.822 4.640 0.013 0.000 0.346 206 D C -1.506 174.753 176.300 -0.069 0.000 1.402 206 D CA -0.569 53.412 54.000 -0.032 0.000 0.815 206 D CB 0.436 41.228 40.800 -0.013 0.000 1.403 206 D HN -0.041 nan 8.370 nan 0.000 0.484 207 I N -0.700 119.842 120.570 -0.046 0.000 2.569 207 I HA 0.680 4.858 4.170 0.013 0.000 0.296 207 I C -0.268 175.863 176.117 0.023 0.000 1.028 207 I CA -0.859 60.421 61.300 -0.034 0.000 1.082 207 I CB 1.818 39.808 38.000 -0.017 0.000 1.264 207 I HN 0.286 nan 8.210 nan 0.000 0.429 208 D N 3.313 123.760 120.400 0.078 0.000 2.507 208 D HA 0.059 4.707 4.640 0.013 0.000 0.280 208 D C 0.674 177.069 176.300 0.158 0.000 1.219 208 D CA -0.259 53.812 54.000 0.119 0.000 1.085 208 D CB 0.255 41.145 40.800 0.150 0.000 1.134 208 D HN 0.719 nan 8.370 nan 0.000 0.583 209 D N -1.199 119.315 120.400 0.190 0.000 2.378 209 D HA -0.140 4.508 4.640 0.013 0.000 0.222 209 D C 0.887 177.183 176.300 -0.007 0.000 0.980 209 D CA 0.450 54.507 54.000 0.095 0.000 0.907 209 D CB -0.398 40.444 40.800 0.070 0.000 0.899 209 D HN 0.284 nan 8.370 nan 0.000 0.527 210 F N -0.125 119.906 119.950 0.134 0.000 2.678 210 F HA 0.357 4.892 4.527 0.013 0.000 0.305 210 F C 1.999 177.976 175.800 0.297 0.000 1.090 210 F CA 0.223 58.335 58.000 0.187 0.000 1.272 210 F CB 0.944 40.039 39.000 0.159 0.000 1.060 210 F HN 0.157 nan 8.300 nan 0.000 0.576 211 G N 0.977 110.028 108.800 0.419 0.000 2.157 211 G HA2 -0.284 3.684 3.960 0.013 0.000 0.248 211 G HA3 -0.284 3.684 3.960 0.013 0.000 0.248 211 G C 0.442 175.729 174.900 0.646 0.000 0.979 211 G CA -0.490 44.926 45.100 0.526 0.000 0.650 211 G HN 0.289 nan 8.290 nan 0.000 0.529 212 R N -0.477 120.292 120.500 0.447 0.000 2.490 212 R HA 0.485 4.833 4.340 0.013 0.000 0.280 212 R C 0.255 176.546 176.300 -0.016 0.000 1.077 212 R CA -0.670 55.621 56.100 0.319 0.000 1.065 212 R CB 0.902 31.328 30.300 0.210 0.000 1.003 212 R HN 0.204 nan 8.270 nan 0.000 0.470 213 L N 4.345 125.278 121.223 -0.482 0.000 2.319 213 L HA 0.207 4.555 4.340 0.013 0.000 0.280 213 L C -0.577 176.095 176.870 -0.330 0.000 1.099 213 L CA 0.146 54.533 54.840 -0.754 0.000 0.828 213 L CB 0.652 41.779 42.059 -1.553 0.000 1.150 213 L HN 0.430 nan 8.230 nan 0.000 0.442 214 I N 7.022 127.475 120.570 -0.196 0.000 2.315 214 I HA 0.302 4.480 4.170 0.013 0.000 0.291 214 I C 0.013 176.092 176.117 -0.062 0.000 1.006 214 I CA -0.147 61.099 61.300 -0.090 0.000 1.265 214 I CB 0.925 38.896 38.000 -0.048 0.000 1.387 214 I HN 0.593 nan 8.210 nan 0.000 0.475 215 I N 6.911 127.471 120.570 -0.017 0.000 2.433 215 I HA 0.410 4.588 4.170 0.013 0.000 0.292 215 I C -0.140 175.992 176.117 0.024 0.000 1.001 215 I CA -0.804 60.519 61.300 0.037 0.000 1.119 215 I CB 1.546 39.645 38.000 0.166 0.000 1.289 215 I HN 0.602 nan 8.210 nan 0.000 0.438 216 R N 7.360 127.876 120.500 0.028 0.000 2.215 216 R HA 0.459 4.806 4.340 0.013 0.000 0.336 216 R C -1.458 174.859 176.300 0.027 0.000 0.996 216 R CA -0.656 55.451 56.100 0.012 0.000 0.847 216 R CB 0.816 31.122 30.300 0.011 0.000 1.127 216 R HN 0.558 nan 8.270 nan 0.000 0.465 217 L N 3.235 124.461 121.223 0.005 0.000 2.466 217 L HA 0.105 4.453 4.340 0.013 0.000 0.257 217 L C 1.313 178.192 176.870 0.014 0.000 1.189 217 L CA 0.283 55.135 54.840 0.019 0.000 0.813 217 L CB 0.842 42.886 42.059 -0.025 0.000 1.118 217 L HN 0.643 nan 8.230 nan 0.000 0.471 218 D N -0.356 120.058 120.400 0.024 0.000 2.158 218 D HA -0.178 4.470 4.640 0.013 0.000 0.197 218 D C 1.986 178.289 176.300 0.006 0.000 0.995 218 D CA 1.731 55.741 54.000 0.018 0.000 0.846 218 D CB -0.040 40.773 40.800 0.022 0.000 0.941 218 D HN 0.690 nan 8.370 nan 0.000 0.456 219 S N -1.126 114.572 115.700 -0.002 0.000 2.507 219 S HA 0.105 4.583 4.470 0.013 0.000 0.235 219 S C 1.824 176.416 174.600 -0.013 0.000 0.988 219 S CA 1.145 59.339 58.200 -0.009 0.000 0.944 219 S CB 0.171 63.360 63.200 -0.018 0.000 0.762 219 S HN 0.385 nan 8.310 nan 0.000 0.526 220 G N 0.861 109.652 108.800 -0.014 0.000 2.213 220 G HA2 -0.280 3.688 3.960 0.013 0.000 0.226 220 G HA3 -0.280 3.688 3.960 0.013 0.000 0.226 220 G C -0.121 174.762 174.900 -0.029 0.000 0.992 220 G CA 0.093 45.184 45.100 -0.016 0.000 0.632 220 G HN 0.786 nan 8.290 nan 0.000 0.511 221 E N 0.750 120.925 120.200 -0.043 0.000 2.452 221 E HA 0.355 4.713 4.350 0.013 0.000 0.261 221 E C -0.102 176.452 176.600 -0.076 0.000 0.987 221 E CA -0.041 56.319 56.400 -0.066 0.000 0.926 221 E CB 0.620 30.264 29.700 -0.094 0.000 0.934 221 E HN 0.217 nan 8.360 nan 0.000 0.452 222 V N 5.460 125.329 119.914 -0.075 0.000 2.417 222 V HA 0.322 4.449 4.120 0.013 0.000 0.291 222 V C -0.128 175.905 176.094 -0.102 0.000 1.024 222 V CA -0.575 61.682 62.300 -0.070 0.000 0.861 222 V CB 1.492 33.289 31.823 -0.044 0.000 0.985 222 V HN 0.648 nan 8.190 nan 0.000 0.436 223 K N 3.820 124.149 120.400 -0.118 0.000 2.259 223 K HA 0.644 4.972 4.320 0.013 0.000 0.249 223 K C -0.988 175.583 176.600 -0.048 0.000 0.942 223 K CA -0.937 55.268 56.287 -0.137 0.000 0.816 223 K CB 2.588 34.889 32.500 -0.332 0.000 1.155 223 K HN 0.516 nan 8.250 nan 0.000 0.428 224 K N 1.853 122.237 120.400 -0.026 0.000 2.339 224 K HA 0.321 4.649 4.320 0.013 0.000 0.264 224 K C -0.832 175.794 176.600 0.044 0.000 0.986 224 K CA -0.724 55.561 56.287 -0.003 0.000 0.866 224 K CB 1.766 34.263 32.500 -0.006 0.000 1.103 224 K HN 0.201 nan 8.250 nan 0.000 0.441 225 V N 4.670 124.600 119.914 0.028 0.000 2.407 225 V HA 0.285 4.413 4.120 0.013 0.000 0.278 225 V C 0.229 176.486 176.094 0.272 0.000 1.037 225 V CA -0.828 61.541 62.300 0.114 0.000 0.900 225 V CB 0.978 32.813 31.823 0.021 0.000 0.983 225 V HN 0.641 nan 8.190 nan 0.000 0.459 226 I N 5.382 126.146 120.570 0.323 0.000 2.331 226 I HA 0.280 4.457 4.170 0.013 0.000 0.292 226 I C -0.074 176.303 176.117 0.434 0.000 0.998 226 I CA -0.519 61.004 61.300 0.373 0.000 1.267 226 I CB 1.332 39.432 38.000 0.166 0.000 1.386 226 I HN 0.780 nan 8.210 nan 0.000 0.476 227 Y N 3.698 124.207 120.300 0.349 0.000 2.319 227 Y HA 0.662 5.221 4.550 0.014 0.000 0.328 227 Y C 0.417 176.323 175.900 0.010 0.000 1.133 227 Y CA -1.239 56.906 58.100 0.074 0.000 1.265 227 Y CB 1.061 39.274 38.460 -0.411 0.000 1.218 227 Y HN 0.721 nan 8.280 nan 0.000 0.508 228 G N 3.387 112.145 108.800 -0.070 0.000 2.927 228 G HA2 0.218 4.186 3.960 0.013 0.000 0.233 228 G HA3 0.218 4.186 3.960 0.013 0.000 0.233 228 G C -0.885 174.002 174.900 -0.022 0.000 3.757 228 G CA -0.471 44.552 45.100 -0.129 0.000 0.546 228 G HN 0.937 nan 8.290 nan 0.000 0.384 229 D N -1.236 119.164 120.400 0.000 0.000 2.746 229 D HA -0.167 4.481 4.640 0.013 0.000 0.236 229 D C -0.014 176.312 176.300 0.043 0.000 1.129 229 D CA 1.689 55.700 54.000 0.017 0.000 0.691 229 D CB -0.991 39.812 40.800 0.004 0.000 1.077 229 D HN 0.956 nan 8.370 nan 0.000 0.432 230 V N 1.274 121.233 119.914 0.075 0.000 2.445 230 V HA 0.419 4.547 4.120 0.013 0.000 0.283 230 V C 0.252 176.416 176.094 0.116 0.000 1.014 230 V CA -0.225 62.139 62.300 0.106 0.000 0.852 230 V CB 1.738 33.671 31.823 0.184 0.000 1.021 230 V HN 0.336 nan 8.190 nan 0.000 0.435 231 S N 5.857 121.593 115.700 0.060 0.000 2.617 231 S HA 0.889 5.367 4.470 0.013 0.000 0.283 231 S C -0.426 174.188 174.600 0.023 0.000 1.189 231 S CA -0.766 57.463 58.200 0.047 0.000 1.036 231 S CB 1.778 64.990 63.200 0.021 0.000 1.014 231 S HN 0.667 nan 8.310 nan 0.000 0.522 232 L N -0.616 120.613 121.223 0.010 0.000 2.322 232 L HA 0.917 5.265 4.340 0.013 0.000 0.269 232 L C -0.359 176.400 176.870 -0.185 0.000 1.012 232 L CA -1.275 53.503 54.840 -0.103 0.000 0.815 232 L CB 1.172 43.160 42.059 -0.118 0.000 1.295 232 L HN 0.655 nan 8.230 nan 0.000 0.438 233 R N 0.988 121.359 120.500 -0.215 0.000 2.621 233 R HA 0.604 4.952 4.340 0.013 0.000 0.292 233 R C -1.636 174.549 176.300 -0.191 0.000 0.969 233 R CA -0.472 55.529 56.100 -0.164 0.000 0.887 233 R CB 1.169 31.434 30.300 -0.057 0.000 1.180 233 R HN 0.516 nan 8.270 nan 0.000 0.450 234 F N 4.043 124.039 119.950 0.077 0.000 2.389 234 F HA 0.333 4.869 4.527 0.016 0.000 0.337 234 F C 0.238 176.034 175.800 -0.007 0.000 1.112 234 F CA -0.203 57.834 58.000 0.060 0.000 1.192 234 F CB 0.535 39.606 39.000 0.118 0.000 1.185 234 F HN 0.288 nan 8.300 nan 0.000 0.552 235 L N 0.000 121.334 121.223 0.184 0.000 2.949 235 L HA 0.000 4.348 4.340 0.013 0.000 0.249 235 L CA 0.000 54.883 54.840 0.071 0.000 0.813 235 L CB 0.000 42.093 42.059 0.056 0.000 0.961 235 L HN 0.000 nan 8.230 nan 0.000 0.502