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 1bjq_1_F DATA FIRST_RESID 1 DATA SEQUENCE ANIQSFSFKN FNSPSFILQG DATVSSGKLQ LTKVKENGIP TPSSLGRAFY DATA SEQUENCE SSPIQIYDKS TGAVASWATS FTVKISAPXX ASFADGIAFA LVPVGSEPRR DATA SEQUENCE NGGYLGVFDS DVYNNSAQTV AVEFDTLSNS GWDPSMKHIG IDVNSIKSIA DATA SEQUENCE TVSWDLANGE NAEILITYNA ATSLLVASLV HPSRRTSYIL SERVDITNEL DATA SEQUENCE PEYVSVGFSA TTGLSEGYIE THDVLSWSFA SKLPD 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.608 177.584 0.040 0.000 1.274 1 A CA 0.000 52.059 52.037 0.036 0.000 0.836 1 A CB 0.000 19.019 19.000 0.031 0.000 0.831 2 N N 0.521 119.251 118.700 0.050 0.000 2.399 2 N HA 0.745 5.485 4.740 0.000 0.000 0.295 2 N C -1.174 174.376 175.510 0.067 0.000 1.048 2 N CA -0.453 52.632 53.050 0.058 0.000 0.886 2 N CB 1.649 40.175 38.487 0.065 0.000 1.185 2 N HN 0.561 nan 8.380 nan 0.000 0.487 3 I N 1.583 122.193 120.570 0.067 0.000 2.647 3 I HA 0.291 4.461 4.170 0.000 0.000 0.295 3 I C -0.802 175.370 176.117 0.091 0.000 1.078 3 I CA -0.559 60.782 61.300 0.068 0.000 1.048 3 I CB 2.235 40.258 38.000 0.039 0.000 1.239 3 I HN 0.333 nan 8.210 nan 0.000 0.421 4 Q N 3.828 123.698 119.800 0.116 0.000 2.315 4 Q HA 0.684 5.024 4.340 0.000 0.000 0.273 4 Q C -1.312 174.768 176.000 0.132 0.000 1.053 4 Q CA -0.788 55.115 55.803 0.167 0.000 0.817 4 Q CB 2.994 31.885 28.738 0.254 0.000 1.326 4 Q HN 0.767 nan 8.270 nan 0.000 0.423 5 S N 1.207 116.966 115.700 0.099 0.000 2.567 5 S HA 0.854 5.324 4.470 0.000 0.000 0.270 5 S C -1.474 173.090 174.600 -0.060 0.000 1.152 5 S CA -0.736 57.422 58.200 -0.070 0.000 0.835 5 S CB 1.217 64.342 63.200 -0.125 0.000 1.115 5 S HN 0.608 nan 8.310 nan 0.000 0.459 6 F N -1.330 118.467 119.950 -0.256 0.000 2.713 6 F HA 0.897 5.424 4.527 -0.000 0.000 0.311 6 F C -0.751 174.772 175.800 -0.461 0.000 1.141 6 F CA -0.521 57.211 58.000 -0.447 0.000 0.939 6 F CB 1.355 39.972 39.000 -0.638 0.000 1.325 6 F HN 0.895 nan 8.300 nan 0.000 0.453 7 S N 1.304 116.753 115.700 -0.418 0.000 2.652 7 S HA 0.715 5.185 4.470 0.000 0.000 0.273 7 S C -2.121 172.226 174.600 -0.422 0.000 1.172 7 S CA -0.405 57.621 58.200 -0.290 0.000 1.009 7 S CB 0.229 63.314 63.200 -0.192 0.000 1.094 7 S HN 0.601 nan 8.310 nan 0.000 0.471 8 F N 3.405 123.405 119.950 0.083 0.000 2.482 8 F HA 0.622 5.149 4.527 0.000 0.000 0.331 8 F C 0.926 176.653 175.800 -0.122 0.000 1.115 8 F CA -0.755 57.196 58.000 -0.083 0.000 0.955 8 F CB 2.163 40.994 39.000 -0.281 0.000 1.136 8 F HN 0.483 nan 8.300 nan 0.000 0.452 9 K N 0.945 121.387 120.400 0.069 0.000 2.373 9 K HA 0.186 4.506 4.320 0.000 0.000 0.200 9 K C -0.584 176.056 176.600 0.067 0.000 1.054 9 K CA -0.101 56.236 56.287 0.083 0.000 1.065 9 K CB 0.324 32.871 32.500 0.078 0.000 0.886 9 K HN 0.569 nan 8.250 nan 0.000 0.546 10 N N -0.558 118.137 118.700 -0.008 0.000 2.287 10 N HA 0.378 5.118 4.740 0.000 0.000 0.289 10 N C -1.616 173.854 175.510 -0.065 0.000 1.066 10 N CA -0.554 52.530 53.050 0.056 0.000 0.841 10 N CB 0.833 39.383 38.487 0.105 0.000 1.599 10 N HN -0.241 nan 8.380 nan 0.000 0.476 11 F N 1.312 121.356 119.950 0.157 0.000 2.458 11 F HA 0.574 5.101 4.527 0.000 0.000 0.330 11 F C 0.224 176.104 175.800 0.134 0.000 1.082 11 F CA -0.575 57.500 58.000 0.124 0.000 0.995 11 F CB 1.621 40.599 39.000 -0.036 0.000 1.170 11 F HN 0.297 nan 8.300 nan 0.000 0.478 12 N N -0.182 118.754 118.700 0.393 0.000 2.455 12 N HA 0.085 4.825 4.740 0.000 0.000 0.285 12 N C 0.207 175.908 175.510 0.318 0.000 1.080 12 N CA -0.155 53.051 53.050 0.261 0.000 0.932 12 N CB 2.151 40.736 38.487 0.163 0.000 1.610 12 N HN 0.560 nan 8.380 nan 0.000 0.493 13 S N 1.885 117.725 115.700 0.233 0.000 2.400 13 S HA -0.149 4.321 4.470 0.000 0.000 0.234 13 S C -0.982 173.695 174.600 0.128 0.000 1.049 13 S CA 1.234 59.564 58.200 0.217 0.000 1.039 13 S CB -1.186 62.083 63.200 0.115 0.000 0.856 13 S HN 0.468 nan 8.310 nan 0.000 0.465 14 P HA -0.091 nan 4.420 nan 0.000 0.216 14 P C 1.356 178.551 177.300 -0.175 0.000 1.154 14 P CA 1.822 64.893 63.100 -0.050 0.000 0.865 14 P CB -0.347 31.330 31.700 -0.038 0.000 0.789 15 S N -2.553 112.928 115.700 -0.365 0.000 2.593 15 S HA 0.128 4.598 4.470 0.000 0.000 0.217 15 S C 0.288 174.329 174.600 -0.932 0.000 0.966 15 S CA 0.214 58.003 58.200 -0.686 0.000 0.914 15 S CB -0.577 62.147 63.200 -0.793 0.000 0.776 15 S HN -0.004 nan 8.310 nan 0.000 0.523 16 F N 0.604 120.512 119.950 -0.069 0.000 2.561 16 F HA 0.572 5.099 4.527 0.000 0.000 0.321 16 F C -0.056 175.745 175.800 0.003 0.000 1.065 16 F CA -1.623 56.374 58.000 -0.005 0.000 0.934 16 F CB 0.935 39.965 39.000 0.051 0.000 1.215 16 F HN -0.130 nan 8.300 nan 0.000 0.471 17 I N 3.826 124.550 120.570 0.257 0.000 2.306 17 I HA 0.269 4.439 4.170 0.000 0.000 0.288 17 I C -0.872 175.362 176.117 0.194 0.000 1.036 17 I CA -0.220 61.186 61.300 0.177 0.000 1.221 17 I CB 0.529 38.636 38.000 0.177 0.000 1.385 17 I HN 0.288 nan 8.210 nan 0.000 0.472 18 L N 7.147 128.441 121.223 0.119 0.000 2.289 18 L HA 0.495 4.835 4.340 0.000 0.000 0.285 18 L C -0.229 176.672 176.870 0.052 0.000 1.049 18 L CA -0.514 54.364 54.840 0.062 0.000 0.804 18 L CB 1.041 43.120 42.059 0.032 0.000 1.195 18 L HN 0.565 nan 8.230 nan 0.000 0.428 19 Q N 1.279 121.101 119.800 0.037 0.000 2.413 19 Q HA 0.624 4.964 4.340 0.000 0.000 0.276 19 Q C 0.377 176.378 176.000 0.002 0.000 1.099 19 Q CA -0.255 55.569 55.803 0.036 0.000 0.814 19 Q CB 2.622 31.409 28.738 0.081 0.000 1.379 19 Q HN 0.822 nan 8.270 nan 0.000 0.436 20 G N 1.855 110.656 108.800 0.002 0.000 2.574 20 G HA2 -0.305 3.655 3.960 0.000 0.000 0.286 20 G HA3 -0.305 3.655 3.960 0.000 0.000 0.286 20 G C -0.122 174.771 174.900 -0.012 0.000 1.212 20 G CA 0.313 45.409 45.100 -0.006 0.000 0.979 20 G HN 0.770 nan 8.290 nan 0.000 0.557 21 D N 1.924 122.314 120.400 -0.017 0.000 2.328 21 D HA 0.395 5.035 4.640 0.000 0.000 0.226 21 D C 1.405 177.683 176.300 -0.036 0.000 1.066 21 D CA 0.843 54.833 54.000 -0.018 0.000 0.861 21 D CB -0.259 40.537 40.800 -0.007 0.000 0.912 21 D HN 0.888 nan 8.370 nan 0.000 0.521 22 A N 0.840 123.628 122.820 -0.053 0.000 2.524 22 A HA 0.311 4.631 4.320 0.000 0.000 0.250 22 A C 0.615 178.157 177.584 -0.071 0.000 1.078 22 A CA 0.447 52.432 52.037 -0.086 0.000 0.761 22 A CB 0.284 19.218 19.000 -0.110 0.000 1.012 22 A HN 0.076 nan 8.150 nan 0.000 0.500 23 T N 1.295 115.795 114.554 -0.089 0.000 2.883 23 T HA 0.534 4.884 4.350 0.000 0.000 0.301 23 T C -1.272 173.373 174.700 -0.092 0.000 1.158 23 T CA -0.412 61.650 62.100 -0.065 0.000 1.007 23 T CB 1.260 70.104 68.868 -0.040 0.000 1.186 23 T HN 0.668 nan 8.240 nan 0.000 0.499 24 V N 3.794 123.679 119.914 -0.049 0.000 2.417 24 V HA 0.775 4.895 4.120 0.000 0.000 0.291 24 V C -0.329 175.764 176.094 -0.002 0.000 1.024 24 V CA -0.534 61.742 62.300 -0.040 0.000 0.861 24 V CB 1.351 33.192 31.823 0.030 0.000 0.985 24 V HN 1.050 nan 8.190 nan 0.000 0.436 25 S N 2.298 117.996 115.700 -0.004 0.000 2.572 25 S HA 0.575 5.045 4.470 0.000 0.000 0.274 25 S C -0.051 174.568 174.600 0.031 0.000 1.150 25 S CA -0.163 58.045 58.200 0.014 0.000 0.944 25 S CB 1.827 65.026 63.200 -0.001 0.000 1.071 25 S HN 0.912 nan 8.310 nan 0.000 0.479 26 S N 1.500 117.227 115.700 0.045 0.000 3.587 26 S HA -0.120 4.350 4.470 0.000 0.000 0.337 26 S C 1.432 176.082 174.600 0.084 0.000 1.119 26 S CA 1.576 59.809 58.200 0.055 0.000 0.976 26 S CB -1.587 61.637 63.200 0.040 0.000 0.922 26 S HN 2.648 nan 8.310 nan 0.000 0.503 27 G N 0.262 109.130 108.800 0.114 0.000 2.205 27 G HA2 -0.345 3.615 3.960 0.000 0.000 0.261 27 G HA3 -0.345 3.615 3.960 0.000 0.000 0.261 27 G C -0.180 174.885 174.900 0.275 0.000 0.980 27 G CA 0.896 46.106 45.100 0.183 0.000 0.632 27 G HN 1.054 nan 8.290 nan 0.000 0.533 28 K N -0.504 119.984 120.400 0.146 0.000 2.238 28 K HA 0.836 5.156 4.320 0.000 0.000 0.239 28 K C -0.765 175.714 176.600 -0.202 0.000 0.987 28 K CA -1.360 54.959 56.287 0.053 0.000 0.857 28 K CB 2.391 34.897 32.500 0.010 0.000 1.154 28 K HN 0.356 nan 8.250 nan 0.000 0.439 29 L N 1.910 122.785 121.223 -0.581 0.000 2.255 29 L HA 0.198 4.538 4.340 0.000 0.000 0.289 29 L C -0.810 175.807 176.870 -0.422 0.000 1.046 29 L CA 0.157 54.597 54.840 -0.667 0.000 0.816 29 L CB 0.778 42.103 42.059 -1.225 0.000 1.197 29 L HN 0.576 nan 8.230 nan 0.000 0.427 30 Q N 5.668 125.309 119.800 -0.266 0.000 2.430 30 Q HA 0.246 4.586 4.340 0.000 0.000 0.245 30 Q C 0.719 176.623 176.000 -0.159 0.000 1.021 30 Q CA -0.295 55.405 55.803 -0.171 0.000 0.867 30 Q CB 1.573 30.251 28.738 -0.100 0.000 1.210 30 Q HN 0.784 nan 8.270 nan 0.000 0.487 31 L N 0.983 122.108 121.223 -0.163 0.000 2.156 31 L HA -0.056 4.284 4.340 0.000 0.000 0.208 31 L C 1.141 177.969 176.870 -0.070 0.000 1.095 31 L CA 0.999 55.748 54.840 -0.151 0.000 0.770 31 L CB -0.083 41.853 42.059 -0.205 0.000 0.914 31 L HN 0.574 nan 8.230 nan 0.000 0.439 32 T N -3.027 111.533 114.554 0.011 0.000 2.912 32 T HA 0.383 4.733 4.350 0.000 0.000 0.288 32 T C -0.382 174.337 174.700 0.032 0.000 1.030 32 T CA -1.013 61.118 62.100 0.051 0.000 1.020 32 T CB 2.407 71.383 68.868 0.181 0.000 1.056 32 T HN -0.146 nan 8.240 nan 0.000 0.480 33 K N 0.864 121.280 120.400 0.026 0.000 2.527 33 K HA 0.349 4.669 4.320 0.000 0.000 0.278 33 K C -1.154 175.454 176.600 0.014 0.000 0.981 33 K CA -0.014 56.282 56.287 0.014 0.000 1.009 33 K CB -0.025 32.485 32.500 0.016 0.000 0.895 33 K HN 0.525 nan 8.250 nan 0.000 0.493 34 V N 5.012 124.928 119.914 0.003 0.000 2.655 34 V HA 0.189 4.309 4.120 0.000 0.000 0.301 34 V C -0.603 175.489 176.094 -0.003 0.000 1.082 34 V CA -0.994 61.305 62.300 -0.002 0.000 0.899 34 V CB 1.884 33.702 31.823 -0.009 0.000 1.014 34 V HN 0.807 nan 8.190 nan 0.000 0.429 35 K N 2.392 122.790 120.400 -0.004 0.000 2.380 35 K HA 0.074 4.394 4.320 0.000 0.000 0.267 35 K C 1.100 177.697 176.600 -0.005 0.000 0.990 35 K CA -0.024 56.261 56.287 -0.004 0.000 0.946 35 K CB 1.029 33.526 32.500 -0.005 0.000 0.937 35 K HN 0.827 nan 8.250 nan 0.000 0.491 36 E N 1.402 121.600 120.200 -0.004 0.000 2.187 36 E HA -0.298 4.052 4.350 0.000 0.000 0.199 36 E C 1.152 177.749 176.600 -0.005 0.000 1.004 36 E CA 1.803 58.201 56.400 -0.003 0.000 0.813 36 E CB -0.369 29.329 29.700 -0.002 0.000 0.736 36 E HN 0.609 nan 8.360 nan 0.000 0.468 37 N N 0.474 119.170 118.700 -0.006 0.000 2.550 37 N HA -0.065 4.675 4.740 0.000 0.000 0.186 37 N C 1.325 176.829 175.510 -0.010 0.000 1.110 37 N CA 1.113 54.159 53.050 -0.008 0.000 0.912 37 N CB 0.339 38.820 38.487 -0.010 0.000 0.968 37 N HN 0.403 nan 8.380 nan 0.000 0.448 38 G N 0.843 109.637 108.800 -0.011 0.000 2.195 38 G HA2 -0.247 3.713 3.960 0.000 0.000 0.224 38 G HA3 -0.247 3.713 3.960 0.000 0.000 0.224 38 G C 0.096 174.985 174.900 -0.018 0.000 0.990 38 G CA 0.159 45.251 45.100 -0.013 0.000 0.639 38 G HN 0.630 nan 8.290 nan 0.000 0.514 39 I N -0.234 120.324 120.570 -0.019 0.000 2.428 39 I HA 0.707 4.877 4.170 0.000 0.000 0.289 39 I C -1.872 174.234 176.117 -0.020 0.000 1.019 39 I CA -2.657 58.628 61.300 -0.025 0.000 1.351 39 I CB 0.979 38.962 38.000 -0.029 0.000 1.412 39 I HN -0.136 nan 8.210 nan 0.000 0.513 40 P HA 0.102 nan 4.420 nan 0.000 0.271 40 P C -0.527 176.774 177.300 0.002 0.000 1.233 40 P CA -0.087 63.007 63.100 -0.009 0.000 0.795 40 P CB 0.437 32.126 31.700 -0.018 0.000 0.936 41 T N 1.247 115.814 114.554 0.021 0.000 2.893 41 T HA 0.543 4.893 4.350 0.000 0.000 0.291 41 T C -2.620 172.108 174.700 0.048 0.000 1.028 41 T CA -1.636 60.480 62.100 0.027 0.000 0.995 41 T CB 1.297 70.179 68.868 0.024 0.000 1.051 41 T HN 0.211 nan 8.240 nan 0.000 0.470 42 P HA 0.363 nan 4.420 nan 0.000 0.278 42 P C -0.140 177.199 177.300 0.066 0.000 1.258 42 P CA -0.274 62.868 63.100 0.070 0.000 0.811 42 P CB 0.533 32.276 31.700 0.071 0.000 1.063 43 S N -1.864 113.882 115.700 0.077 0.000 3.635 43 S HA -0.142 4.328 4.470 0.000 0.000 0.328 43 S C 0.427 175.062 174.600 0.059 0.000 1.135 43 S CA 0.992 59.232 58.200 0.067 0.000 0.942 43 S CB -1.621 61.611 63.200 0.054 0.000 0.930 43 S HN 0.698 nan 8.310 nan 0.000 0.512 44 S N -0.001 115.738 115.700 0.066 0.000 2.616 44 S HA 0.835 5.305 4.470 0.000 0.000 0.277 44 S C -0.470 174.156 174.600 0.045 0.000 1.234 44 S CA -0.517 57.715 58.200 0.053 0.000 1.028 44 S CB 1.177 64.414 63.200 0.062 0.000 0.988 44 S HN 0.518 nan 8.310 nan 0.000 0.522 45 L N 2.919 124.154 121.223 0.021 0.000 2.543 45 L HA 0.770 5.110 4.340 0.000 0.000 0.265 45 L C -0.560 176.297 176.870 -0.022 0.000 0.945 45 L CA -0.130 54.711 54.840 0.001 0.000 0.869 45 L CB 1.615 43.681 42.059 0.012 0.000 1.294 45 L HN 0.812 nan 8.230 nan 0.000 0.405 46 G N 4.224 112.991 108.800 -0.056 0.000 2.719 46 G HA2 0.719 4.679 3.960 0.000 0.000 0.298 46 G HA3 0.719 4.679 3.960 0.000 0.000 0.298 46 G C -1.802 173.023 174.900 -0.124 0.000 1.411 46 G CA -0.679 44.374 45.100 -0.078 0.000 0.991 46 G HN 0.536 nan 8.290 nan 0.000 0.509 47 R N -0.090 120.334 120.500 -0.128 0.000 2.771 47 R HA 0.837 5.177 4.340 0.000 0.000 0.274 47 R C -1.180 174.942 176.300 -0.297 0.000 0.987 47 R CA -1.026 54.930 56.100 -0.239 0.000 0.908 47 R CB 2.682 32.926 30.300 -0.092 0.000 1.213 47 R HN 0.868 nan 8.270 nan 0.000 0.468 48 A N 2.153 124.607 122.820 -0.610 0.000 2.488 48 A HA 0.742 5.062 4.320 0.000 0.000 0.295 48 A C -1.573 175.615 177.584 -0.661 0.000 1.045 48 A CA -0.606 51.188 52.037 -0.405 0.000 0.703 48 A CB 0.955 19.790 19.000 -0.274 0.000 1.271 48 A HN 0.529 nan 8.150 nan 0.000 0.400 49 F N 0.337 120.364 119.950 0.129 0.000 2.603 49 F HA 0.549 5.076 4.527 -0.000 0.000 0.317 49 F C -0.212 175.821 175.800 0.389 0.000 1.066 49 F CA -0.815 57.303 58.000 0.197 0.000 0.941 49 F CB 1.293 40.316 39.000 0.037 0.000 1.291 49 F HN 0.621 nan 8.300 nan 0.000 0.472 50 Y N 1.325 121.883 120.300 0.429 0.000 2.511 50 Y HA 0.120 4.670 4.550 -0.000 0.000 0.332 50 Y C 1.582 177.486 175.900 0.007 0.000 1.177 50 Y CA -0.376 57.767 58.100 0.072 0.000 1.422 50 Y CB 1.194 39.516 38.460 -0.230 0.000 1.271 50 Y HN 0.646 nan 8.280 nan 0.000 0.550 51 S N 1.419 116.780 115.700 -0.565 0.000 2.547 51 S HA -0.049 4.421 4.470 0.000 0.000 0.235 51 S C 0.722 175.060 174.600 -0.438 0.000 0.980 51 S CA 0.466 58.403 58.200 -0.438 0.000 0.941 51 S CB -0.277 62.655 63.200 -0.447 0.000 0.763 51 S HN 0.475 nan 8.310 nan 0.000 0.532 52 S N 2.654 117.997 115.700 -0.596 0.000 2.449 52 S HA 0.607 5.077 4.470 0.000 0.000 0.310 52 S C -2.951 171.647 174.600 -0.003 0.000 1.096 52 S CA -1.933 56.118 58.200 -0.247 0.000 1.095 52 S CB 0.770 63.851 63.200 -0.198 0.000 1.007 52 S HN 0.062 nan 8.310 nan 0.000 0.474 53 P HA 0.297 nan 4.420 nan 0.000 0.269 53 P C -1.005 176.383 177.300 0.146 0.000 1.215 53 P CA -0.234 62.903 63.100 0.061 0.000 0.780 53 P CB 0.326 32.052 31.700 0.044 0.000 0.898 54 I N 1.299 121.941 120.570 0.120 0.000 2.474 54 I HA 0.247 4.417 4.170 0.000 0.000 0.294 54 I C 0.365 176.496 176.117 0.023 0.000 1.005 54 I CA -0.386 60.983 61.300 0.115 0.000 1.113 54 I CB 1.750 39.796 38.000 0.076 0.000 1.289 54 I HN 0.254 nan 8.210 nan 0.000 0.436 55 Q N 5.368 125.139 119.800 -0.049 0.000 2.349 55 Q HA 0.277 4.617 4.340 0.000 0.000 0.254 55 Q C 0.312 176.204 176.000 -0.180 0.000 0.980 55 Q CA -0.361 55.213 55.803 -0.382 0.000 0.924 55 Q CB 0.802 29.257 28.738 -0.472 0.000 1.209 55 Q HN 0.570 nan 8.270 nan 0.000 0.445 56 I N 4.459 124.915 120.570 -0.190 0.000 2.500 56 I HA -0.055 4.115 4.170 0.000 0.000 0.252 56 I C 0.450 176.694 176.117 0.212 0.000 1.142 56 I CA 1.131 62.469 61.300 0.063 0.000 1.451 56 I CB -1.056 37.024 38.000 0.133 0.000 1.093 56 I HN 0.607 nan 8.210 nan 0.000 0.430 57 Y N -1.584 118.673 120.300 -0.073 0.000 2.750 57 Y HA 0.628 5.178 4.550 -0.000 0.000 0.335 57 Y C -1.495 174.358 175.900 -0.078 0.000 1.252 57 Y CA -2.203 55.879 58.100 -0.029 0.000 1.064 57 Y CB 0.854 39.322 38.460 0.013 0.000 1.321 57 Y HN -0.098 nan 8.280 nan 0.000 0.451 58 D N 0.286 120.768 120.400 0.136 0.000 2.542 58 D HA 0.448 5.088 4.640 0.000 0.000 0.252 58 D C 0.553 176.946 176.300 0.154 0.000 1.222 58 D CA 0.023 54.045 54.000 0.037 0.000 0.895 58 D CB 1.854 42.670 40.800 0.026 0.000 1.207 58 D HN 0.949 nan 8.370 nan 0.000 0.558 59 K N 1.332 121.819 120.400 0.145 0.000 2.063 59 K HA -0.157 4.163 4.320 0.000 0.000 0.208 59 K C 1.825 178.487 176.600 0.103 0.000 1.048 59 K CA 2.227 58.614 56.287 0.167 0.000 0.928 59 K CB -1.158 31.428 32.500 0.144 0.000 0.713 59 K HN 0.544 nan 8.250 nan 0.000 0.442 60 S N 0.851 116.596 115.700 0.074 0.000 2.355 60 S HA -0.169 4.301 4.470 0.000 0.000 0.222 60 S C 2.398 177.031 174.600 0.055 0.000 1.031 60 S CA 1.868 60.102 58.200 0.057 0.000 0.993 60 S CB -0.717 62.511 63.200 0.047 0.000 0.859 60 S HN 0.832 nan 8.310 nan 0.000 0.453 61 T N -2.192 112.398 114.554 0.059 0.000 3.057 61 T HA 0.438 4.788 4.350 0.000 0.000 0.254 61 T C 1.613 176.350 174.700 0.061 0.000 1.094 61 T CA 0.741 62.873 62.100 0.053 0.000 1.088 61 T CB -0.313 68.584 68.868 0.050 0.000 0.934 61 T HN 1.024 nan 8.240 nan 0.000 0.497 62 G N 1.377 110.226 108.800 0.081 0.000 2.143 62 G HA2 -0.034 3.926 3.960 0.000 0.000 0.248 62 G HA3 -0.034 3.926 3.960 0.000 0.000 0.248 62 G C 0.222 175.174 174.900 0.088 0.000 0.991 62 G CA -0.014 45.136 45.100 0.083 0.000 0.689 62 G HN 1.202 nan 8.290 nan 0.000 0.522 63 A N -0.635 122.245 122.820 0.101 0.000 2.327 63 A HA 0.783 5.103 4.320 0.000 0.000 0.283 63 A C 0.194 177.870 177.584 0.154 0.000 1.127 63 A CA 0.066 52.165 52.037 0.103 0.000 0.810 63 A CB 1.466 20.517 19.000 0.084 0.000 1.066 63 A HN 1.182 nan 8.150 nan 0.000 0.492 64 V N 1.650 121.655 119.914 0.153 0.000 2.540 64 V HA 0.610 4.730 4.120 0.000 0.000 0.302 64 V C 0.663 176.892 176.094 0.225 0.000 1.035 64 V CA -0.453 61.976 62.300 0.214 0.000 0.873 64 V CB 1.305 33.244 31.823 0.193 0.000 0.992 64 V HN 1.223 nan 8.190 nan 0.000 0.428 65 A N 3.468 126.458 122.820 0.283 0.000 2.351 65 A HA 0.692 5.012 4.320 0.000 0.000 0.257 65 A C 0.355 178.172 177.584 0.388 0.000 1.087 65 A CA -0.070 52.149 52.037 0.302 0.000 0.798 65 A CB 0.505 19.699 19.000 0.323 0.000 1.033 65 A HN 0.742 nan 8.150 nan 0.000 0.488 66 S N 1.451 117.310 115.700 0.266 0.000 2.501 66 S HA 0.781 5.251 4.470 0.000 0.000 0.301 66 S C -0.784 173.927 174.600 0.185 0.000 1.096 66 S CA -0.442 57.833 58.200 0.125 0.000 1.063 66 S CB 0.637 63.835 63.200 -0.003 0.000 1.042 66 S HN 0.748 nan 8.310 nan 0.000 0.494 67 W N 0.413 121.759 121.300 0.078 0.000 2.988 67 W HA 0.830 5.490 4.660 -0.000 0.000 0.355 67 W C -1.449 174.994 176.519 -0.127 0.000 1.233 67 W CA -1.270 56.015 57.345 -0.100 0.000 1.176 67 W CB 0.982 30.389 29.460 -0.090 0.000 1.477 67 W HN 0.786 nan 8.180 nan 0.000 0.582 68 A N 0.871 123.715 122.820 0.040 0.000 2.604 68 A HA 0.720 5.040 4.320 0.000 0.000 0.295 68 A C -1.521 176.034 177.584 -0.048 0.000 1.067 68 A CA -0.433 51.608 52.037 0.006 0.000 0.683 68 A CB 1.821 20.759 19.000 -0.103 0.000 1.281 68 A HN 0.744 nan 8.150 nan 0.000 0.407 69 T N 0.011 114.632 114.554 0.113 0.000 2.894 69 T HA 0.781 5.131 4.350 0.000 0.000 0.309 69 T C -1.102 173.719 174.700 0.203 0.000 1.208 69 T CA 0.343 62.565 62.100 0.203 0.000 1.016 69 T CB 1.342 70.425 68.868 0.358 0.000 1.192 69 T HN 2.191 nan 8.240 nan 0.000 0.491 70 S N 2.656 118.563 115.700 0.344 0.000 2.536 70 S HA 0.902 5.372 4.470 0.000 0.000 0.271 70 S C -1.290 173.610 174.600 0.500 0.000 1.134 70 S CA -0.831 57.493 58.200 0.207 0.000 0.897 70 S CB 1.271 64.511 63.200 0.067 0.000 1.094 70 S HN 0.981 nan 8.310 nan 0.000 0.473 71 F N -1.577 118.494 119.950 0.201 0.000 2.713 71 F HA 0.826 5.353 4.527 -0.000 0.000 0.311 71 F C -1.017 174.809 175.800 0.044 0.000 1.141 71 F CA -0.911 57.222 58.000 0.222 0.000 0.939 71 F CB 1.172 40.327 39.000 0.257 0.000 1.325 71 F HN 0.472 nan 8.300 nan 0.000 0.453 72 T N 2.346 117.038 114.554 0.230 0.000 2.786 72 T HA 0.642 4.992 4.350 0.000 0.000 0.283 72 T C -0.659 174.083 174.700 0.071 0.000 0.992 72 T CA -0.607 61.532 62.100 0.065 0.000 0.954 72 T CB 1.256 70.174 68.868 0.082 0.000 0.934 72 T HN 0.856 nan 8.240 nan 0.000 0.440 73 V N 0.941 120.852 119.914 -0.005 0.000 2.919 73 V HA 0.785 4.905 4.120 0.000 0.000 0.316 73 V C -0.520 175.574 176.094 0.000 0.000 1.077 73 V CA -1.042 61.242 62.300 -0.028 0.000 0.977 73 V CB 2.118 33.910 31.823 -0.052 0.000 1.039 73 V HN 0.719 nan 8.190 nan 0.000 0.441 74 K N 2.760 123.163 120.400 0.005 0.000 2.578 74 K HA 0.614 4.934 4.320 0.000 0.000 0.250 74 K C -1.793 174.823 176.600 0.026 0.000 0.955 74 K CA -0.551 55.758 56.287 0.037 0.000 0.825 74 K CB 1.797 34.313 32.500 0.026 0.000 1.151 74 K HN 0.846 nan 8.250 nan 0.000 0.432 75 I N 2.388 122.995 120.570 0.060 0.000 2.378 75 I HA 0.262 4.432 4.170 0.000 0.000 0.291 75 I C -0.382 175.780 176.117 0.075 0.000 0.992 75 I CA -0.505 60.811 61.300 0.027 0.000 1.154 75 I CB 2.039 40.078 38.000 0.065 0.000 1.315 75 I HN 0.411 nan 8.210 nan 0.000 0.448 76 S N 4.279 120.012 115.700 0.055 0.000 2.536 76 S HA 0.833 5.303 4.470 0.000 0.000 0.287 76 S C -0.736 173.903 174.600 0.065 0.000 1.101 76 S CA -0.651 57.606 58.200 0.095 0.000 0.950 76 S CB 2.143 65.360 63.200 0.028 0.000 1.056 76 S HN 0.695 nan 8.310 nan 0.000 0.481 77 A N 3.330 126.161 122.820 0.019 0.000 2.371 77 A HA 0.880 5.200 4.320 0.000 0.000 0.311 77 A C -2.754 174.709 177.584 -0.202 0.000 1.068 77 A CA -1.787 50.125 52.037 -0.208 0.000 0.744 77 A CB 0.165 18.734 19.000 -0.719 0.000 1.239 77 A HN 0.553 nan 8.150 nan 0.000 0.435 82 S N 0.577 115.974 115.700 -0.504 0.000 2.549 82 S HA 0.770 5.240 4.470 0.000 0.000 0.297 82 S C -0.463 173.938 174.600 -0.331 0.000 1.115 82 S CA -0.337 57.562 58.200 -0.502 0.000 1.059 82 S CB 0.084 62.916 63.200 -0.614 0.000 1.046 82 S HN 0.481 nan 8.310 nan 0.000 0.506 83 F N 2.454 122.379 119.950 -0.042 0.000 2.529 83 F HA 0.483 5.010 4.527 0.000 0.000 0.365 83 F C 0.882 176.765 175.800 0.139 0.000 1.102 83 F CA 0.204 58.218 58.000 0.023 0.000 1.271 83 F CB 0.313 39.304 39.000 -0.014 0.000 1.120 83 F HN 0.622 nan 8.300 nan 0.000 0.579 84 A N 2.797 125.832 122.820 0.358 0.000 2.594 84 A HA 0.352 4.672 4.320 0.000 0.000 0.301 84 A C -0.304 177.462 177.584 0.304 0.000 1.022 84 A CA -0.705 51.517 52.037 0.309 0.000 0.738 84 A CB 0.893 20.090 19.000 0.328 0.000 1.263 84 A HN 0.636 nan 8.150 nan 0.000 0.409 85 D N 0.122 120.706 120.400 0.306 0.000 2.454 85 D HA 0.424 5.064 4.640 0.000 0.000 0.219 85 D C 0.798 177.246 176.300 0.247 0.000 1.081 85 D CA 1.732 55.876 54.000 0.239 0.000 0.867 85 D CB 1.330 42.239 40.800 0.182 0.000 1.054 85 D HN 1.605 nan 8.370 nan 0.000 0.500 86 G N 0.804 109.793 108.800 0.315 0.000 2.361 86 G HA2 0.103 4.063 3.960 0.000 0.000 0.331 86 G HA3 0.103 4.063 3.960 0.000 0.000 0.331 86 G C -1.811 173.155 174.900 0.109 0.000 1.324 86 G CA -0.600 44.686 45.100 0.308 0.000 0.984 86 G HN 0.114 nan 8.290 nan 0.000 0.586 87 I N 0.026 120.712 120.570 0.193 0.000 2.647 87 I HA 0.827 4.997 4.170 0.000 0.000 0.295 87 I C -0.102 176.186 176.117 0.286 0.000 1.078 87 I CA -0.897 60.457 61.300 0.091 0.000 1.048 87 I CB 1.874 39.932 38.000 0.097 0.000 1.239 87 I HN 1.531 nan 8.210 nan 0.000 0.421 88 A N 5.837 128.780 122.820 0.205 0.000 2.435 88 A HA 0.660 4.980 4.320 0.000 0.000 0.304 88 A C -1.678 176.067 177.584 0.269 0.000 1.064 88 A CA -0.447 51.757 52.037 0.278 0.000 0.727 88 A CB 1.258 20.347 19.000 0.149 0.000 1.284 88 A HN 0.640 nan 8.150 nan 0.000 0.415 89 F N 2.115 122.213 119.950 0.246 0.000 2.410 89 F HA 0.698 5.225 4.527 0.000 0.000 0.349 89 F C 0.155 175.975 175.800 0.033 0.000 1.117 89 F CA -0.293 57.730 58.000 0.037 0.000 1.104 89 F CB 0.997 40.133 39.000 0.228 0.000 1.122 89 F HN 0.825 nan 8.300 nan 0.000 0.483 90 A N 5.788 128.083 122.820 -0.874 0.000 2.469 90 A HA 0.812 5.132 4.320 0.000 0.000 0.299 90 A C -2.024 175.216 177.584 -0.574 0.000 1.098 90 A CA -0.751 50.974 52.037 -0.521 0.000 0.737 90 A CB 1.441 20.298 19.000 -0.238 0.000 1.312 90 A HN 0.710 nan 8.150 nan 0.000 0.414 91 L N 1.752 122.790 121.223 -0.309 0.000 2.324 91 L HA 0.522 4.862 4.340 0.000 0.000 0.274 91 L C 0.022 176.787 176.870 -0.174 0.000 1.012 91 L CA -0.314 54.379 54.840 -0.244 0.000 0.859 91 L CB 1.348 43.298 42.059 -0.181 0.000 1.224 91 L HN 0.680 nan 8.230 nan 0.000 0.429 92 V N 1.343 121.130 119.914 -0.211 0.000 2.994 92 V HA 0.808 4.928 4.120 0.000 0.000 0.318 92 V C -2.564 173.387 176.094 -0.237 0.000 1.085 92 V CA -2.774 59.383 62.300 -0.238 0.000 0.998 92 V CB 1.636 33.267 31.823 -0.319 0.000 1.063 92 V HN 0.377 nan 8.190 nan 0.000 0.447 93 P HA 0.205 nan 4.420 nan 0.000 0.269 93 P C 1.079 178.252 177.300 -0.211 0.000 1.209 93 P CA -0.004 63.003 63.100 -0.154 0.000 0.776 93 P CB 0.797 32.424 31.700 -0.121 0.000 0.876 94 V N 3.114 122.929 119.914 -0.164 0.000 2.278 94 V HA -0.261 3.859 4.120 0.000 0.000 0.251 94 V C 2.471 178.440 176.094 -0.209 0.000 1.062 94 V CA 2.828 65.015 62.300 -0.188 0.000 1.038 94 V CB -1.750 29.995 31.823 -0.130 0.000 0.646 94 V HN 0.855 nan 8.190 nan 0.000 0.447 95 G N -1.331 107.370 108.800 -0.165 0.000 2.448 95 G HA2 -0.171 3.789 3.960 0.000 0.000 0.218 95 G HA3 -0.171 3.789 3.960 0.000 0.000 0.218 95 G C 0.894 175.691 174.900 -0.170 0.000 1.135 95 G CA 0.723 45.733 45.100 -0.150 0.000 0.784 95 G HN 0.494 nan 8.290 nan 0.000 0.543 96 S N 0.302 115.883 115.700 -0.199 0.000 4.039 96 S HA -0.140 4.330 4.470 0.000 0.000 0.484 96 S C 0.200 174.698 174.600 -0.171 0.000 1.094 96 S CA 0.430 58.506 58.200 -0.206 0.000 0.867 96 S CB 0.056 63.082 63.200 -0.290 0.000 0.695 96 S HN 0.508 nan 8.310 nan 0.000 0.468 97 E N 4.742 124.873 120.200 -0.116 0.000 2.212 97 E HA 0.604 4.954 4.350 0.000 0.000 0.270 97 E C -2.365 174.199 176.600 -0.060 0.000 0.956 97 E CA -2.067 54.289 56.400 -0.073 0.000 0.825 97 E CB 0.835 30.498 29.700 -0.061 0.000 1.167 97 E HN 0.346 nan 8.360 nan 0.000 0.400 98 P HA 0.044 nan 4.420 nan 0.000 0.269 98 P C -0.481 176.791 177.300 -0.047 0.000 1.211 98 P CA 0.268 63.355 63.100 -0.023 0.000 0.781 98 P CB 0.613 32.310 31.700 -0.005 0.000 0.877 99 R N 0.769 121.236 120.500 -0.054 0.000 3.139 99 R HA 0.449 4.789 4.340 0.000 0.000 0.218 99 R C 0.369 176.644 176.300 -0.040 0.000 1.637 99 R CA -1.028 55.032 56.100 -0.066 0.000 0.971 99 R CB 0.397 30.640 30.300 -0.095 0.000 2.211 99 R HN 0.391 nan 8.270 nan 0.000 0.535 100 R N 1.927 122.387 120.500 -0.066 0.000 2.623 100 R HA -0.014 4.326 4.340 0.000 0.000 0.271 100 R C 0.472 176.839 176.300 0.113 0.000 1.043 100 R CA 0.276 56.352 56.100 -0.041 0.000 1.083 100 R CB -0.030 30.094 30.300 -0.293 0.000 0.974 100 R HN 0.712 nan 8.270 nan 0.000 0.436 101 N N 0.180 118.957 118.700 0.130 0.000 2.452 101 N HA 0.392 5.132 4.740 0.000 0.000 0.296 101 N C 0.777 176.428 175.510 0.235 0.000 1.304 101 N CA -0.560 52.581 53.050 0.151 0.000 0.956 101 N CB 0.195 38.741 38.487 0.098 0.000 1.106 101 N HN 0.468 nan 8.380 nan 0.000 0.555 102 G N -0.645 108.258 108.800 0.173 0.000 2.611 102 G HA2 -0.369 3.591 3.960 0.000 0.000 0.301 102 G HA3 -0.369 3.591 3.960 0.000 0.000 0.301 102 G C 0.830 175.834 174.900 0.174 0.000 1.233 102 G CA 0.380 45.582 45.100 0.170 0.000 0.993 102 G HN 1.000 nan 8.290 nan 0.000 0.553 103 G N -1.172 107.720 108.800 0.154 0.000 2.708 103 G HA2 0.199 4.159 3.960 0.000 0.000 0.210 103 G HA3 0.199 4.159 3.960 0.000 0.000 0.210 103 G C 1.189 176.104 174.900 0.026 0.000 1.141 103 G CA 1.520 46.703 45.100 0.139 0.000 0.788 103 G HN 0.589 nan 8.290 nan 0.000 0.531 104 Y N -0.504 119.912 120.300 0.194 0.000 2.482 104 Y HA 0.326 4.876 4.550 0.000 0.000 0.270 104 Y C 1.675 177.646 175.900 0.119 0.000 1.152 104 Y CA -0.558 57.608 58.100 0.112 0.000 1.292 104 Y CB 0.182 38.684 38.460 0.069 0.000 1.070 104 Y HN 0.022 nan 8.280 nan 0.000 0.528 105 L N -0.439 120.906 121.223 0.204 0.000 4.367 105 L HA -0.378 3.962 4.340 0.000 0.000 0.424 105 L C 1.492 178.401 176.870 0.065 0.000 1.152 105 L CA 0.839 55.751 54.840 0.120 0.000 0.974 105 L CB -2.050 40.082 42.059 0.122 0.000 2.012 105 L HN 0.489 nan 8.230 nan 0.000 0.922 106 G N -1.182 107.669 108.800 0.085 0.000 2.184 106 G HA2 -0.313 3.647 3.960 0.000 0.000 0.264 106 G HA3 -0.313 3.647 3.960 0.000 0.000 0.264 106 G C 0.540 175.408 174.900 -0.053 0.000 0.975 106 G CA 0.739 45.850 45.100 0.017 0.000 0.642 106 G HN 1.013 nan 8.290 nan 0.000 0.536 107 V N -4.346 115.505 119.914 -0.106 0.000 3.604 107 V HA 0.759 4.879 4.120 0.000 0.000 0.277 107 V C 0.657 176.350 176.094 -0.669 0.000 1.399 107 V CA 0.149 62.211 62.300 -0.397 0.000 1.034 107 V CB -0.279 31.212 31.823 -0.553 0.000 0.824 107 V HN 0.289 nan 8.190 nan 0.000 0.439 108 F N 0.091 120.053 119.950 0.020 0.000 2.640 108 F HA 0.714 5.241 4.527 0.000 0.000 0.324 108 F C 0.721 176.462 175.800 -0.099 0.000 1.077 108 F CA -0.922 57.069 58.000 -0.016 0.000 0.965 108 F CB 1.613 40.618 39.000 0.008 0.000 1.351 108 F HN -0.253 nan 8.300 nan 0.000 0.487 109 D N -0.750 119.676 120.400 0.043 0.000 2.479 109 D HA 0.128 4.768 4.640 0.000 0.000 0.221 109 D C 0.098 176.189 176.300 -0.348 0.000 1.104 109 D CA 0.737 54.580 54.000 -0.262 0.000 0.849 109 D CB 1.048 41.757 40.800 -0.152 0.000 1.072 109 D HN 0.365 nan 8.370 nan 0.000 0.502 110 S N 0.099 115.753 115.700 -0.076 0.000 2.643 110 S HA 0.199 4.669 4.470 0.000 0.000 0.270 110 S C -0.977 173.582 174.600 -0.068 0.000 1.166 110 S CA -0.645 57.557 58.200 0.003 0.000 0.815 110 S CB 1.588 64.772 63.200 -0.026 0.000 1.139 110 S HN -0.081 nan 8.310 nan 0.000 0.472 111 D N 0.685 121.024 120.400 -0.101 0.000 2.342 111 D HA 0.170 4.810 4.640 0.000 0.000 0.221 111 D C 0.093 176.355 176.300 -0.065 0.000 1.101 111 D CA 0.029 53.904 54.000 -0.207 0.000 0.837 111 D CB 0.044 40.761 40.800 -0.137 0.000 0.938 111 D HN 0.271 nan 8.370 nan 0.000 0.508 112 V N 1.677 121.575 119.914 -0.027 0.000 2.427 112 V HA 0.141 4.261 4.120 0.000 0.000 0.286 112 V C -0.345 175.764 176.094 0.026 0.000 1.034 112 V CA -1.241 61.074 62.300 0.026 0.000 0.893 112 V CB 0.916 32.761 31.823 0.037 0.000 0.982 112 V HN 0.100 nan 8.190 nan 0.000 0.452 113 Y N 4.976 125.247 120.300 -0.048 0.000 2.805 113 Y HA 0.098 4.648 4.550 -0.000 0.000 0.331 113 Y C 0.466 176.358 175.900 -0.015 0.000 1.241 113 Y CA 0.777 58.852 58.100 -0.042 0.000 1.546 113 Y CB 0.234 38.678 38.460 -0.028 0.000 1.248 113 Y HN 0.762 nan 8.280 nan 0.000 0.559 114 N N 5.212 123.528 118.700 -0.640 0.000 2.640 114 N HA 0.062 4.802 4.740 0.000 0.000 0.262 114 N C 0.129 175.270 175.510 -0.615 0.000 1.174 114 N CA -0.430 52.349 53.050 -0.450 0.000 0.791 114 N CB 0.263 38.634 38.487 -0.194 0.000 1.279 114 N HN 0.833 nan 8.380 nan 0.000 0.535 115 N N 1.350 119.636 118.700 -0.691 0.000 2.132 115 N HA -0.224 4.516 4.740 0.000 0.000 0.191 115 N C 1.339 176.752 175.510 -0.163 0.000 1.015 115 N CA 2.203 55.029 53.050 -0.372 0.000 0.864 115 N CB 0.165 38.634 38.487 -0.029 0.000 1.006 115 N HN 0.510 nan 8.380 nan 0.000 0.430 116 S N -1.290 114.334 115.700 -0.125 0.000 2.547 116 S HA 0.052 4.522 4.470 0.000 0.000 0.235 116 S C 1.779 176.338 174.600 -0.069 0.000 0.980 116 S CA 0.598 58.756 58.200 -0.070 0.000 0.941 116 S CB -0.391 62.777 63.200 -0.053 0.000 0.763 116 S HN 0.444 nan 8.310 nan 0.000 0.532 117 A N 0.751 123.520 122.820 -0.085 0.000 2.067 117 A HA 0.107 4.427 4.320 0.000 0.000 0.217 117 A C 1.191 178.748 177.584 -0.045 0.000 1.156 117 A CA 0.576 52.584 52.037 -0.049 0.000 0.683 117 A CB -0.466 18.545 19.000 0.018 0.000 0.808 117 A HN 0.523 nan 8.150 nan 0.000 0.455 118 Q N 0.135 119.916 119.800 -0.032 0.000 2.416 118 Q HA -0.157 4.183 4.340 0.000 0.000 0.319 118 Q C -0.814 175.176 176.000 -0.016 0.000 1.318 118 Q CA 1.449 57.247 55.803 -0.008 0.000 0.915 118 Q CB -2.435 26.295 28.738 -0.014 0.000 1.184 118 Q HN 0.576 nan 8.270 nan 0.000 0.444 119 T N -0.682 113.885 114.554 0.022 0.000 2.916 119 T HA 0.644 4.994 4.350 0.000 0.000 0.298 119 T C -0.351 174.437 174.700 0.146 0.000 1.031 119 T CA -0.516 61.574 62.100 -0.017 0.000 0.993 119 T CB 2.557 71.278 68.868 -0.244 0.000 1.045 119 T HN 0.032 nan 8.240 nan 0.000 0.454 120 V N 1.910 121.889 119.914 0.108 0.000 2.656 120 V HA 0.949 5.069 4.120 0.000 0.000 0.307 120 V C -0.404 175.797 176.094 0.179 0.000 1.051 120 V CA -0.606 61.818 62.300 0.208 0.000 0.893 120 V CB 1.694 33.623 31.823 0.178 0.000 0.999 120 V HN 1.165 nan 8.190 nan 0.000 0.426 121 A N 3.697 126.681 122.820 0.273 0.000 2.587 121 A HA 0.920 5.240 4.320 0.000 0.000 0.293 121 A C -1.621 176.116 177.584 0.254 0.000 1.087 121 A CA -0.584 51.591 52.037 0.229 0.000 0.692 121 A CB 2.244 21.368 19.000 0.207 0.000 1.291 121 A HN 0.657 nan 8.150 nan 0.000 0.407 122 V N 2.117 122.195 119.914 0.273 0.000 2.407 122 V HA 0.424 4.545 4.120 0.000 0.000 0.291 122 V C -0.281 175.813 176.094 0.000 0.000 1.018 122 V CA -0.357 62.038 62.300 0.158 0.000 0.842 122 V CB 1.228 33.228 31.823 0.295 0.000 0.996 122 V HN 1.017 nan 8.190 nan 0.000 0.426 123 E N 4.113 124.185 120.200 -0.214 0.000 2.212 123 E HA 0.696 5.046 4.350 0.000 0.000 0.270 123 E C -1.520 174.605 176.600 -0.792 0.000 0.956 123 E CA -0.755 55.485 56.400 -0.266 0.000 0.825 123 E CB 1.791 31.465 29.700 -0.042 0.000 1.167 123 E HN 0.413 nan 8.360 nan 0.000 0.400 124 F N 1.051 121.014 119.950 0.021 0.000 2.564 124 F HA 0.206 4.733 4.527 -0.000 0.000 0.361 124 F C -0.338 175.567 175.800 0.175 0.000 1.161 124 F CA -0.978 56.996 58.000 -0.043 0.000 1.198 124 F CB 1.015 39.906 39.000 -0.183 0.000 1.424 124 F HN 0.417 nan 8.300 nan 0.000 0.517 125 D N 1.634 122.059 120.400 0.042 0.000 2.338 125 D HA 0.062 4.702 4.640 0.000 0.000 0.255 125 D C 1.212 177.553 176.300 0.070 0.000 1.237 125 D CA 0.301 54.275 54.000 -0.044 0.000 0.883 125 D CB 1.238 41.721 40.800 -0.529 0.000 1.087 125 D HN 0.537 nan 8.370 nan 0.000 0.485 126 T N 1.177 115.821 114.554 0.150 0.000 3.086 126 T HA 0.209 4.559 4.350 0.000 0.000 0.250 126 T C 0.541 175.315 174.700 0.123 0.000 1.074 126 T CA -0.423 61.715 62.100 0.065 0.000 0.988 126 T CB 0.151 69.058 68.868 0.066 0.000 0.988 126 T HN 0.204 nan 8.240 nan 0.000 0.530 127 L N 0.840 122.154 121.223 0.152 0.000 2.476 127 L HA 0.625 4.965 4.340 0.000 0.000 0.269 127 L C -0.599 176.349 176.870 0.130 0.000 0.965 127 L CA -0.502 54.428 54.840 0.149 0.000 0.845 127 L CB 2.379 44.529 42.059 0.151 0.000 1.259 127 L HN -0.010 nan 8.230 nan 0.000 0.403 128 S N 3.378 119.134 115.700 0.094 0.000 2.455 128 S HA 0.362 4.832 4.470 0.000 0.000 0.278 128 S C -0.249 174.273 174.600 -0.130 0.000 1.216 128 S CA -0.233 57.985 58.200 0.030 0.000 1.055 128 S CB -0.341 62.862 63.200 0.005 0.000 0.939 128 S HN 0.718 nan 8.310 nan 0.000 0.494 129 N N 2.807 121.328 118.700 -0.298 0.000 2.439 129 N HA 0.170 4.910 4.740 0.000 0.000 0.249 129 N C 1.133 176.225 175.510 -0.697 0.000 1.003 129 N CA -0.412 52.265 53.050 -0.622 0.000 0.942 129 N CB 1.382 39.183 38.487 -1.144 0.000 1.115 129 N HN 0.526 nan 8.380 nan 0.000 0.505 130 S N 1.114 116.546 115.700 -0.446 0.000 2.389 130 S HA -0.258 4.212 4.470 0.000 0.000 0.231 130 S C 2.099 176.496 174.600 -0.337 0.000 1.052 130 S CA 1.386 59.397 58.200 -0.316 0.000 1.053 130 S CB -0.781 62.293 63.200 -0.209 0.000 0.886 130 S HN 0.722 nan 8.310 nan 0.000 0.456 131 G N 0.568 109.082 108.800 -0.476 0.000 2.448 131 G HA2 -0.060 3.900 3.960 0.000 0.000 0.219 131 G HA3 -0.060 3.900 3.960 0.000 0.000 0.219 131 G C 0.990 175.857 174.900 -0.056 0.000 1.127 131 G CA 0.970 45.916 45.100 -0.257 0.000 0.766 131 G HN 0.919 nan 8.290 nan 0.000 0.552 132 W N -1.554 119.725 121.300 -0.035 0.000 1.583 132 W HA 0.459 5.119 4.660 0.000 0.000 0.214 132 W C -0.945 175.544 176.519 -0.050 0.000 0.808 132 W CA -0.941 56.382 57.345 -0.037 0.000 0.964 132 W CB 0.261 29.698 29.460 -0.038 0.000 0.909 132 W HN -0.244 nan 8.180 nan 0.000 0.503 133 D N 2.824 123.104 120.400 -0.201 0.000 2.253 133 D HA 0.362 5.002 4.640 0.000 0.000 0.249 133 D C -1.987 174.206 176.300 -0.180 0.000 1.049 133 D CA -1.420 52.520 54.000 -0.100 0.000 0.929 133 D CB 1.273 42.007 40.800 -0.109 0.000 1.176 133 D HN -0.216 nan 8.370 nan 0.000 0.437 134 P HA 0.098 nan 4.420 nan 0.000 0.274 134 P C 0.810 178.001 177.300 -0.182 0.000 1.256 134 P CA -0.381 62.574 63.100 -0.242 0.000 0.795 134 P CB 0.599 32.109 31.700 -0.317 0.000 1.038 135 S N -0.539 115.102 115.700 -0.098 0.000 2.374 135 S HA -0.127 4.343 4.470 0.000 0.000 0.227 135 S C 1.113 175.705 174.600 -0.014 0.000 1.037 135 S CA 1.340 59.510 58.200 -0.050 0.000 1.024 135 S CB -0.607 62.577 63.200 -0.027 0.000 0.861 135 S HN 0.457 nan 8.310 nan 0.000 0.456 136 M N -0.721 118.887 119.600 0.014 0.000 2.655 136 M HA 0.550 5.030 4.480 0.000 0.000 0.271 136 M C -0.428 175.995 176.300 0.205 0.000 1.013 136 M CA -0.932 54.410 55.300 0.071 0.000 0.994 136 M CB 0.402 33.031 32.600 0.048 0.000 1.585 136 M HN -0.342 nan 8.290 nan 0.000 0.569 137 K N 1.809 122.286 120.400 0.128 0.000 2.401 137 K HA 0.176 4.496 4.320 0.000 0.000 0.278 137 K C -0.776 176.009 176.600 0.308 0.000 1.018 137 K CA 0.263 56.622 56.287 0.120 0.000 0.981 137 K CB 0.155 32.502 32.500 -0.254 0.000 0.933 137 K HN 0.652 nan 8.250 nan 0.000 0.477 138 H N 0.567 119.791 119.070 0.257 0.000 2.960 138 H HA 0.460 5.016 4.556 0.000 0.000 0.323 138 H C -0.932 174.539 175.328 0.238 0.000 1.326 138 H CA -1.054 55.150 56.048 0.260 0.000 1.124 138 H CB 0.740 30.583 29.762 0.134 0.000 1.853 138 H HN 0.328 nan 8.280 nan 0.000 0.536 139 I N 0.536 121.158 120.570 0.086 0.000 2.433 139 I HA 0.602 4.772 4.170 0.000 0.000 0.292 139 I C 0.277 176.354 176.117 -0.067 0.000 1.001 139 I CA -0.472 60.693 61.300 -0.225 0.000 1.119 139 I CB 2.042 39.880 38.000 -0.270 0.000 1.289 139 I HN 0.815 nan 8.210 nan 0.000 0.438 140 G N 5.819 114.534 108.800 -0.141 0.000 2.690 140 G HA2 0.726 4.686 3.960 0.000 0.000 0.293 140 G HA3 0.726 4.686 3.960 0.000 0.000 0.293 140 G C -1.325 173.565 174.900 -0.016 0.000 1.399 140 G CA -0.530 44.578 45.100 0.013 0.000 0.890 140 G HN 0.436 nan 8.290 nan 0.000 0.485 141 I N 1.746 122.341 120.570 0.041 0.000 2.328 141 I HA 0.243 4.413 4.170 0.000 0.000 0.287 141 I C -0.965 175.199 176.117 0.077 0.000 1.012 141 I CA -0.705 60.641 61.300 0.077 0.000 1.195 141 I CB 1.578 39.633 38.000 0.093 0.000 1.350 141 I HN 0.208 nan 8.210 nan 0.000 0.464 142 D N 6.828 127.288 120.400 0.101 0.000 2.233 142 D HA 0.326 4.966 4.640 0.000 0.000 0.240 142 D C -0.396 175.976 176.300 0.120 0.000 1.074 142 D CA -0.205 53.818 54.000 0.038 0.000 0.838 142 D CB 2.540 43.344 40.800 0.006 0.000 1.124 142 D HN 0.050 nan 8.370 nan 0.000 0.475 143 V N 3.842 123.790 119.914 0.058 0.000 2.289 143 V HA 0.196 4.316 4.120 0.000 0.000 0.272 143 V C 0.230 176.418 176.094 0.156 0.000 1.026 143 V CA -0.800 61.597 62.300 0.162 0.000 0.807 143 V CB 0.038 31.969 31.823 0.180 0.000 1.044 143 V HN 0.560 nan 8.190 nan 0.000 0.443 144 N N 1.867 120.673 118.700 0.176 0.000 2.776 144 N HA -0.169 4.571 4.740 0.000 0.000 0.249 144 N C -0.054 175.325 175.510 -0.218 0.000 1.111 144 N CA 1.502 54.599 53.050 0.077 0.000 0.711 144 N CB -0.701 37.651 38.487 -0.225 0.000 1.065 144 N HN 0.948 nan 8.380 nan 0.000 0.556 145 S N -1.041 114.205 115.700 -0.757 0.000 2.608 145 S HA 0.359 4.829 4.470 0.000 0.000 0.285 145 S C 0.203 174.067 174.600 -1.226 0.000 1.108 145 S CA -0.682 57.053 58.200 -0.774 0.000 0.858 145 S CB 0.561 63.595 63.200 -0.276 0.000 1.077 145 S HN 0.012 nan 8.310 nan 0.000 0.450 146 I N 2.618 122.617 120.570 -0.951 0.000 3.291 146 I HA 0.292 4.462 4.170 0.000 0.000 0.279 146 I C 0.948 176.711 176.117 -0.591 0.000 1.294 146 I CA 0.848 61.679 61.300 -0.783 0.000 1.428 146 I CB -0.253 37.271 38.000 -0.794 0.000 1.070 146 I HN 0.588 nan 8.210 nan 0.000 0.478 147 K N 1.606 121.742 120.400 -0.441 0.000 2.231 147 K HA 0.201 4.521 4.320 0.000 0.000 0.275 147 K C -0.129 176.425 176.600 -0.077 0.000 1.105 147 K CA -0.178 56.023 56.287 -0.145 0.000 0.931 147 K CB 0.321 32.795 32.500 -0.043 0.000 1.296 147 K HN 0.157 nan 8.250 nan 0.000 0.446 148 S N 3.723 119.421 115.700 -0.004 0.000 2.561 148 S HA -0.069 4.401 4.470 0.000 0.000 0.294 148 S C 1.530 176.145 174.600 0.024 0.000 1.294 148 S CA -0.220 57.993 58.200 0.022 0.000 1.055 148 S CB 0.211 63.465 63.200 0.091 0.000 0.819 148 S HN 0.693 nan 8.310 nan 0.000 0.503 149 I N -0.986 119.599 120.570 0.025 0.000 3.428 149 I HA 0.498 4.668 4.170 0.000 0.000 0.286 149 I C 0.589 176.725 176.117 0.031 0.000 1.287 149 I CA -0.007 61.307 61.300 0.023 0.000 1.396 149 I CB -0.296 37.719 38.000 0.025 0.000 1.062 149 I HN 0.542 nan 8.210 nan 0.000 0.471 150 A N 0.696 123.542 122.820 0.043 0.000 2.565 150 A HA 0.674 4.994 4.320 0.000 0.000 0.298 150 A C -0.226 177.396 177.584 0.064 0.000 1.062 150 A CA 0.016 52.081 52.037 0.046 0.000 0.723 150 A CB 0.671 19.697 19.000 0.044 0.000 1.282 150 A HN 0.315 nan 8.150 nan 0.000 0.400 151 T N -1.896 112.699 114.554 0.068 0.000 2.812 151 T HA 0.863 5.213 4.350 0.000 0.000 0.294 151 T C -1.169 173.592 174.700 0.102 0.000 1.159 151 T CA -0.689 61.474 62.100 0.106 0.000 1.008 151 T CB 1.453 70.395 68.868 0.124 0.000 1.289 151 T HN 1.971 nan 8.240 nan 0.000 0.514 152 V N 0.377 120.377 119.914 0.144 0.000 3.000 152 V HA 0.563 4.683 4.120 0.000 0.000 0.300 152 V C -0.383 175.838 176.094 0.211 0.000 1.251 152 V CA -0.676 61.717 62.300 0.155 0.000 0.972 152 V CB 2.555 34.469 31.823 0.151 0.000 1.065 152 V HN 1.220 nan 8.190 nan 0.000 0.431 153 S N 4.314 120.139 115.700 0.208 0.000 2.568 153 S HA 0.340 4.810 4.470 0.000 0.000 0.282 153 S C -1.101 173.647 174.600 0.246 0.000 1.338 153 S CA 0.145 58.478 58.200 0.221 0.000 1.045 153 S CB 0.455 63.765 63.200 0.182 0.000 0.873 153 S HN 0.768 nan 8.310 nan 0.000 0.516 154 W N 3.118 124.363 121.300 -0.090 0.000 3.042 154 W HA 0.377 5.037 4.660 0.000 0.000 0.337 154 W C -1.703 174.675 176.519 -0.234 0.000 1.086 154 W CA -1.046 56.038 57.345 -0.435 0.000 1.236 154 W CB 0.961 30.176 29.460 -0.409 0.000 1.381 154 W HN 0.462 nan 8.180 nan 0.000 0.472 155 D N 6.240 126.487 120.400 -0.255 0.000 2.479 155 D HA 0.099 4.739 4.640 0.000 0.000 0.218 155 D C -0.479 175.528 176.300 -0.488 0.000 1.131 155 D CA -0.362 53.493 54.000 -0.242 0.000 0.916 155 D CB 0.559 41.431 40.800 0.120 0.000 1.022 155 D HN 0.481 nan 8.370 nan 0.000 0.515 156 L N 3.046 123.633 121.223 -1.059 0.000 2.534 156 L HA 0.226 4.566 4.340 0.000 0.000 0.271 156 L C -0.353 176.217 176.870 -0.499 0.000 1.178 156 L CA -0.338 53.946 54.840 -0.926 0.000 0.907 156 L CB 0.489 41.727 42.059 -1.368 0.000 1.164 156 L HN 0.296 nan 8.230 nan 0.000 0.482 157 A N 4.799 127.312 122.820 -0.512 0.000 2.391 157 A HA 0.297 4.617 4.320 0.000 0.000 0.316 157 A C 0.193 177.656 177.584 -0.201 0.000 1.381 157 A CA -0.591 51.193 52.037 -0.420 0.000 0.998 157 A CB -0.679 17.923 19.000 -0.662 0.000 1.147 157 A HN 0.847 nan 8.150 nan 0.000 0.545 158 N N 2.075 120.727 118.700 -0.080 0.000 2.359 158 N HA 0.242 4.982 4.740 0.000 0.000 0.261 158 N C 1.408 176.951 175.510 0.055 0.000 1.267 158 N CA 1.953 55.050 53.050 0.080 0.000 0.864 158 N CB 0.265 38.905 38.487 0.255 0.000 1.063 158 N HN 1.204 nan 8.380 nan 0.000 0.474 159 G N 1.965 110.810 108.800 0.075 0.000 2.189 159 G HA2 -0.296 3.664 3.960 0.000 0.000 0.267 159 G HA3 -0.296 3.664 3.960 0.000 0.000 0.267 159 G C 0.012 174.945 174.900 0.055 0.000 0.975 159 G CA 0.558 45.692 45.100 0.056 0.000 0.644 159 G HN 0.634 nan 8.290 nan 0.000 0.537 160 E N 0.286 120.524 120.200 0.063 0.000 2.202 160 E HA 0.434 4.784 4.350 0.000 0.000 0.272 160 E C 0.388 177.100 176.600 0.187 0.000 0.951 160 E CA -0.730 55.727 56.400 0.095 0.000 0.813 160 E CB 0.650 30.383 29.700 0.055 0.000 1.151 160 E HN 0.437 nan 8.360 nan 0.000 0.398 161 N N 0.741 119.535 118.700 0.157 0.000 2.407 161 N HA 0.161 4.901 4.740 0.000 0.000 0.250 161 N C -1.025 174.578 175.510 0.156 0.000 1.236 161 N CA -0.027 53.100 53.050 0.129 0.000 0.879 161 N CB 0.540 39.074 38.487 0.079 0.000 1.088 161 N HN 0.335 nan 8.380 nan 0.000 0.450 162 A N 2.286 125.105 122.820 -0.001 0.000 2.319 162 A HA 0.275 4.595 4.320 0.000 0.000 0.310 162 A C -0.646 176.784 177.584 -0.257 0.000 1.152 162 A CA -0.673 51.214 52.037 -0.251 0.000 0.783 162 A CB 0.750 19.555 19.000 -0.324 0.000 1.184 162 A HN 0.659 nan 8.150 nan 0.000 0.474 163 E N 2.421 122.467 120.200 -0.257 0.000 2.055 163 E HA 0.422 4.772 4.350 0.000 0.000 0.274 163 E C -1.054 175.339 176.600 -0.346 0.000 0.949 163 E CA -0.141 56.113 56.400 -0.242 0.000 0.775 163 E CB 1.299 30.923 29.700 -0.127 0.000 1.097 163 E HN 0.623 nan 8.360 nan 0.000 0.404 164 I N 3.094 123.323 120.570 -0.568 0.000 2.498 164 I HA 0.319 4.489 4.170 0.000 0.000 0.301 164 I C -0.683 175.140 176.117 -0.491 0.000 0.984 164 I CA -0.837 60.072 61.300 -0.652 0.000 1.204 164 I CB 1.089 38.372 38.000 -1.196 0.000 1.362 164 I HN 0.345 nan 8.210 nan 0.000 0.471 165 L N 7.334 128.399 121.223 -0.262 0.000 2.476 165 L HA 0.649 4.989 4.340 0.000 0.000 0.269 165 L C -1.409 175.433 176.870 -0.046 0.000 0.965 165 L CA 0.022 54.783 54.840 -0.132 0.000 0.845 165 L CB 1.206 43.210 42.059 -0.092 0.000 1.259 165 L HN 0.429 nan 8.230 nan 0.000 0.403 166 I N 3.861 124.439 120.570 0.014 0.000 2.509 166 I HA 0.739 4.909 4.170 0.000 0.000 0.293 166 I C -0.303 175.831 176.117 0.028 0.000 1.020 166 I CA -0.374 60.976 61.300 0.083 0.000 1.088 166 I CB 2.405 40.539 38.000 0.222 0.000 1.267 166 I HN 0.734 nan 8.210 nan 0.000 0.430 167 T N 1.581 116.082 114.554 -0.089 0.000 2.900 167 T HA 0.549 4.899 4.350 0.000 0.000 0.303 167 T C -1.450 172.972 174.700 -0.464 0.000 1.142 167 T CA -0.797 61.141 62.100 -0.271 0.000 1.007 167 T CB 1.882 70.632 68.868 -0.198 0.000 1.156 167 T HN 0.434 nan 8.240 nan 0.000 0.490 168 Y N 2.378 122.118 120.300 -0.934 0.000 2.338 168 Y HA 0.606 5.156 4.550 0.000 0.000 0.333 168 Y C -0.868 174.713 175.900 -0.532 0.000 0.968 168 Y CA -1.120 56.466 58.100 -0.857 0.000 1.123 168 Y CB 1.697 39.288 38.460 -1.448 0.000 1.165 168 Y HN 0.847 nan 8.280 nan 0.000 0.452 169 N N 4.523 122.667 118.700 -0.927 0.000 2.501 169 N HA 0.313 5.053 4.740 0.000 0.000 0.245 169 N C 0.328 175.417 175.510 -0.701 0.000 0.974 169 N CA 0.458 53.148 53.050 -0.600 0.000 0.941 169 N CB 1.742 39.996 38.487 -0.389 0.000 1.122 169 N HN 0.902 nan 8.380 nan 0.000 0.507 170 A N 3.642 126.234 122.820 -0.381 0.000 2.019 170 A HA -0.055 4.265 4.320 0.000 0.000 0.219 170 A C 2.006 179.516 177.584 -0.122 0.000 1.164 170 A CA 1.775 53.726 52.037 -0.143 0.000 0.644 170 A CB -0.504 18.546 19.000 0.083 0.000 0.805 170 A HN 0.720 nan 8.150 nan 0.000 0.449 171 A N -0.410 122.329 122.820 -0.134 0.000 1.930 171 A HA -0.068 4.252 4.320 0.000 0.000 0.217 171 A C 2.305 179.826 177.584 -0.105 0.000 1.175 171 A CA 2.341 54.322 52.037 -0.093 0.000 0.627 171 A CB -0.913 18.036 19.000 -0.084 0.000 0.815 171 A HN 0.775 nan 8.150 nan 0.000 0.443 172 T N -5.909 108.547 114.554 -0.162 0.000 3.022 172 T HA 0.275 4.625 4.350 0.000 0.000 0.250 172 T C 0.748 175.351 174.700 -0.161 0.000 1.060 172 T CA 0.924 62.939 62.100 -0.142 0.000 1.013 172 T CB 0.151 68.933 68.868 -0.145 0.000 0.982 172 T HN 0.514 nan 8.240 nan 0.000 0.508 173 S N -0.062 115.484 115.700 -0.257 0.000 3.382 173 S HA -0.122 4.348 4.470 0.000 0.000 0.293 173 S C -0.178 174.286 174.600 -0.228 0.000 1.262 173 S CA 0.282 58.356 58.200 -0.210 0.000 0.969 173 S CB -1.724 61.478 63.200 0.002 0.000 1.136 173 S HN 0.630 nan 8.310 nan 0.000 0.635 174 L N 1.615 122.623 121.223 -0.358 0.000 2.276 174 L HA 0.646 4.986 4.340 0.000 0.000 0.286 174 L C -0.124 176.601 176.870 -0.242 0.000 1.061 174 L CA 0.069 54.781 54.840 -0.214 0.000 0.807 174 L CB 1.135 43.093 42.059 -0.168 0.000 1.177 174 L HN 0.405 nan 8.230 nan 0.000 0.429 175 L N 5.828 127.049 121.223 -0.004 0.000 2.282 175 L HA 0.658 4.998 4.340 0.000 0.000 0.288 175 L C -1.201 175.683 176.870 0.023 0.000 1.033 175 L CA -0.527 54.364 54.840 0.084 0.000 0.807 175 L CB 1.415 43.625 42.059 0.253 0.000 1.209 175 L HN 0.386 nan 8.230 nan 0.000 0.423 176 V N 4.366 124.269 119.914 -0.018 0.000 2.588 176 V HA 0.790 4.910 4.120 0.000 0.000 0.304 176 V C -0.195 175.913 176.094 0.023 0.000 1.042 176 V CA -0.506 61.790 62.300 -0.007 0.000 0.877 176 V CB 1.617 33.412 31.823 -0.047 0.000 0.996 176 V HN 0.865 nan 8.190 nan 0.000 0.425 177 A N 3.384 126.231 122.820 0.045 0.000 2.401 177 A HA 1.006 5.326 4.320 0.000 0.000 0.310 177 A C -0.299 177.314 177.584 0.049 0.000 1.075 177 A CA -0.280 51.799 52.037 0.070 0.000 0.746 177 A CB 2.029 21.090 19.000 0.102 0.000 1.277 177 A HN 1.288 nan 8.150 nan 0.000 0.425 178 S N 1.040 116.762 115.700 0.037 0.000 2.556 178 S HA 0.791 5.261 4.470 0.000 0.000 0.271 178 S C -1.250 173.335 174.600 -0.024 0.000 1.135 178 S CA -0.598 57.615 58.200 0.020 0.000 0.858 178 S CB 1.281 64.477 63.200 -0.006 0.000 1.114 178 S HN 1.596 nan 8.310 nan 0.000 0.468 179 L N 1.929 123.150 121.223 -0.005 0.000 2.422 179 L HA 0.920 5.260 4.340 0.000 0.000 0.264 179 L C -1.900 174.960 176.870 -0.016 0.000 0.984 179 L CA -0.707 54.067 54.840 -0.111 0.000 0.819 179 L CB 1.986 43.899 42.059 -0.242 0.000 1.330 179 L HN 0.744 nan 8.230 nan 0.000 0.410 180 V N 2.590 122.431 119.914 -0.122 0.000 2.686 180 V HA 0.350 4.470 4.120 0.000 0.000 0.306 180 V C -1.244 174.796 176.094 -0.090 0.000 1.065 180 V CA -0.486 61.789 62.300 -0.042 0.000 0.894 180 V CB 1.952 33.752 31.823 -0.038 0.000 1.004 180 V HN 0.731 nan 8.190 nan 0.000 0.424 181 H N 6.397 125.543 119.070 0.125 0.000 2.700 181 H HA 0.286 4.843 4.556 0.000 0.000 0.269 181 H C -1.578 173.793 175.328 0.071 0.000 1.222 181 H CA -1.722 54.396 56.048 0.116 0.000 1.254 181 H CB 1.649 31.521 29.762 0.182 0.000 1.413 181 H HN 0.445 nan 8.280 nan 0.000 0.507 182 P HA -0.256 nan 4.420 nan 0.000 0.217 182 P C 1.487 178.839 177.300 0.086 0.000 1.151 182 P CA 1.520 64.671 63.100 0.085 0.000 0.849 182 P CB 0.332 32.066 31.700 0.056 0.000 0.787 183 S N 0.556 116.318 115.700 0.103 0.000 2.370 183 S HA -0.141 4.329 4.470 0.000 0.000 0.226 183 S C 1.821 176.459 174.600 0.062 0.000 1.033 183 S CA 0.942 59.186 58.200 0.073 0.000 1.011 183 S CB -0.883 62.358 63.200 0.068 0.000 0.852 183 S HN 0.185 nan 8.310 nan 0.000 0.457 184 R N 0.712 121.263 120.500 0.086 0.000 2.362 184 R HA 0.320 4.660 4.340 0.000 0.000 0.227 184 R C 0.079 176.419 176.300 0.067 0.000 0.905 184 R CA 0.030 56.170 56.100 0.067 0.000 1.067 184 R CB -0.222 30.117 30.300 0.064 0.000 1.078 184 R HN 0.398 nan 8.270 nan 0.000 0.516 185 R N 0.995 121.539 120.500 0.073 0.000 3.641 185 R HA -0.134 4.206 4.340 0.000 0.000 0.286 185 R C -0.244 176.075 176.300 0.031 0.000 1.153 185 R CA 1.240 57.367 56.100 0.045 0.000 0.775 185 R CB -2.385 27.929 30.300 0.023 0.000 1.215 185 R HN 0.440 nan 8.270 nan 0.000 0.474 186 T N -2.181 112.416 114.554 0.072 0.000 2.902 186 T HA 0.704 5.054 4.350 0.000 0.000 0.283 186 T C 0.143 174.816 174.700 -0.045 0.000 1.009 186 T CA -0.148 61.954 62.100 0.003 0.000 1.051 186 T CB 2.279 71.212 68.868 0.108 0.000 0.999 186 T HN 0.243 nan 8.240 nan 0.000 0.474 187 S N 0.913 116.427 115.700 -0.311 0.000 2.541 187 S HA 0.707 5.177 4.470 0.000 0.000 0.271 187 S C -1.875 172.402 174.600 -0.539 0.000 1.133 187 S CA -1.023 57.028 58.200 -0.249 0.000 0.876 187 S CB 0.846 63.983 63.200 -0.106 0.000 1.105 187 S HN 0.763 nan 8.310 nan 0.000 0.470 188 Y N 0.612 120.933 120.300 0.035 0.000 2.545 188 Y HA 0.812 5.362 4.550 0.000 0.000 0.348 188 Y C -0.321 175.584 175.900 0.008 0.000 1.002 188 Y CA -1.140 56.985 58.100 0.042 0.000 1.039 188 Y CB 1.706 40.209 38.460 0.072 0.000 1.271 188 Y HN 0.915 nan 8.280 nan 0.000 0.467 189 I N 2.752 123.417 120.570 0.158 0.000 2.827 189 I HA 0.692 4.862 4.170 0.000 0.000 0.298 189 I C -2.128 174.037 176.117 0.081 0.000 1.235 189 I CA -1.029 60.322 61.300 0.086 0.000 1.021 189 I CB 2.403 40.426 38.000 0.038 0.000 1.259 189 I HN 0.660 nan 8.210 nan 0.000 0.427 190 L N 6.063 127.320 121.223 0.056 0.000 2.506 190 L HA 0.821 5.161 4.340 0.000 0.000 0.257 190 L C -1.614 175.277 176.870 0.035 0.000 0.964 190 L CA 0.130 55.000 54.840 0.050 0.000 0.836 190 L CB 2.316 44.405 42.059 0.050 0.000 1.384 190 L HN 0.674 nan 8.230 nan 0.000 0.410 191 S N 1.838 117.557 115.700 0.030 0.000 2.537 191 S HA 0.908 5.378 4.470 0.000 0.000 0.270 191 S C -1.179 173.437 174.600 0.026 0.000 1.142 191 S CA -0.623 57.590 58.200 0.021 0.000 0.870 191 S CB 1.993 65.193 63.200 -0.000 0.000 1.112 191 S HN 0.873 nan 8.310 nan 0.000 0.466 192 E N 0.571 120.791 120.200 0.034 0.000 2.380 192 E HA 0.438 4.788 4.350 0.000 0.000 0.281 192 E C -1.240 175.390 176.600 0.050 0.000 0.999 192 E CA -0.508 55.916 56.400 0.039 0.000 0.800 192 E CB 1.816 31.547 29.700 0.051 0.000 1.228 192 E HN 0.779 nan 8.360 nan 0.000 0.436 193 R N 2.114 122.638 120.500 0.039 0.000 2.442 193 R HA 0.549 4.889 4.340 0.000 0.000 0.291 193 R C -1.156 175.201 176.300 0.095 0.000 1.069 193 R CA -0.173 55.957 56.100 0.050 0.000 1.022 193 R CB 0.525 30.839 30.300 0.022 0.000 0.976 193 R HN 0.259 nan 8.270 nan 0.000 0.443 194 V N 4.306 124.322 119.914 0.170 0.000 2.525 194 V HA 0.127 4.247 4.120 0.000 0.000 0.299 194 V C -0.850 175.365 176.094 0.201 0.000 1.034 194 V CA -0.831 61.582 62.300 0.188 0.000 0.863 194 V CB 1.718 33.680 31.823 0.231 0.000 0.999 194 V HN 0.802 nan 8.190 nan 0.000 0.423 195 D N 3.725 124.193 120.400 0.113 0.000 2.558 195 D HA 0.203 4.843 4.640 0.000 0.000 0.221 195 D C 1.048 177.369 176.300 0.035 0.000 1.143 195 D CA -0.014 54.032 54.000 0.077 0.000 1.010 195 D CB 0.483 41.305 40.800 0.035 0.000 1.068 195 D HN 0.511 nan 8.370 nan 0.000 0.511 196 I N 1.628 122.212 120.570 0.023 0.000 2.248 196 I HA -0.322 3.849 4.170 0.000 0.000 0.248 196 I C 2.245 178.275 176.117 -0.145 0.000 1.107 196 I CA 1.784 63.047 61.300 -0.063 0.000 1.373 196 I CB 0.025 37.903 38.000 -0.204 0.000 1.055 196 I HN 0.481 nan 8.210 nan 0.000 0.418 197 T N -2.450 111.917 114.554 -0.312 0.000 3.025 197 T HA -0.181 4.169 4.350 0.000 0.000 0.270 197 T C 1.639 176.135 174.700 -0.340 0.000 1.126 197 T CA 1.447 63.108 62.100 -0.733 0.000 1.105 197 T CB -0.530 67.905 68.868 -0.721 0.000 0.884 197 T HN 0.480 nan 8.240 nan 0.000 0.522 198 N N 0.341 118.965 118.700 -0.126 0.000 2.322 198 N HA -0.017 4.723 4.740 0.000 0.000 0.181 198 N C 1.171 176.714 175.510 0.054 0.000 1.088 198 N CA 0.342 53.382 53.050 -0.017 0.000 0.885 198 N CB 0.415 38.908 38.487 0.009 0.000 1.013 198 N HN 0.433 nan 8.380 nan 0.000 0.472 199 E N 0.131 120.368 120.200 0.061 0.000 2.460 199 E HA 0.228 4.578 4.350 0.000 0.000 0.200 199 E C 0.258 176.914 176.600 0.093 0.000 1.011 199 E CA 0.118 56.582 56.400 0.106 0.000 0.912 199 E CB 1.293 31.073 29.700 0.134 0.000 0.953 199 E HN 0.329 nan 8.360 nan 0.000 0.494 200 L N 1.108 122.395 121.223 0.108 0.000 2.327 200 L HA 0.447 4.787 4.340 0.000 0.000 0.258 200 L C -2.512 174.500 176.870 0.236 0.000 1.024 200 L CA -2.319 52.603 54.840 0.136 0.000 0.825 200 L CB 2.392 44.528 42.059 0.127 0.000 1.386 200 L HN -0.205 nan 8.230 nan 0.000 0.417 201 P HA 0.181 nan 4.420 nan 0.000 0.279 201 P C -0.028 177.232 177.300 -0.067 0.000 1.276 201 P CA -0.376 62.787 63.100 0.104 0.000 0.801 201 P CB 0.960 32.681 31.700 0.034 0.000 1.127 202 E N -0.883 119.094 120.200 -0.372 0.000 2.118 202 E HA -0.146 4.204 4.350 0.000 0.000 0.195 202 E C -0.121 176.063 176.600 -0.693 0.000 0.992 202 E CA 1.380 57.223 56.400 -0.929 0.000 0.804 202 E CB -0.135 29.155 29.700 -0.683 0.000 0.741 202 E HN 0.435 nan 8.360 nan 0.000 0.458 203 Y N -0.767 119.403 120.300 -0.216 0.000 2.393 203 Y HA 0.381 4.931 4.550 -0.000 0.000 0.341 203 Y C -0.018 175.806 175.900 -0.126 0.000 0.988 203 Y CA -1.068 56.946 58.100 -0.143 0.000 1.078 203 Y CB 1.793 40.181 38.460 -0.121 0.000 1.203 203 Y HN -0.243 nan 8.280 nan 0.000 0.453 204 V N -1.599 118.319 119.914 0.007 0.000 3.181 204 V HA 0.770 4.890 4.120 0.000 0.000 0.308 204 V C -0.693 175.341 176.094 -0.100 0.000 1.214 204 V CA -0.966 61.288 62.300 -0.076 0.000 1.053 204 V CB 1.953 33.708 31.823 -0.113 0.000 1.069 204 V HN 0.614 nan 8.190 nan 0.000 0.441 205 S N 0.784 116.372 115.700 -0.187 0.000 2.509 205 S HA 0.839 5.309 4.470 0.000 0.000 0.297 205 S C -0.343 174.200 174.600 -0.094 0.000 1.118 205 S CA -0.318 57.779 58.200 -0.172 0.000 1.074 205 S CB 1.528 64.471 63.200 -0.428 0.000 1.038 205 S HN 1.662 nan 8.310 nan 0.000 0.498 206 V N 0.122 120.067 119.914 0.052 0.000 2.628 206 V HA 1.098 5.218 4.120 0.000 0.000 0.306 206 V C 0.264 176.490 176.094 0.220 0.000 1.045 206 V CA -0.101 62.179 62.300 -0.034 0.000 0.905 206 V CB 0.898 32.559 31.823 -0.270 0.000 0.997 206 V HN 1.076 nan 8.190 nan 0.000 0.436 207 G N 2.637 111.218 108.800 -0.364 0.000 2.392 207 G HA2 0.519 4.479 3.960 0.000 0.000 0.260 207 G HA3 0.519 4.479 3.960 0.000 0.000 0.260 207 G C -1.791 172.220 174.900 -1.482 0.000 1.226 207 G CA -0.621 43.916 45.100 -0.939 0.000 0.913 207 G HN 0.779 nan 8.290 nan 0.000 0.483 208 F N -0.061 119.342 119.950 -0.912 0.000 2.598 208 F HA 0.866 5.393 4.527 0.000 0.000 0.327 208 F C 0.520 175.950 175.800 -0.617 0.000 1.057 208 F CA -0.935 56.652 58.000 -0.688 0.000 0.957 208 F CB 2.554 41.154 39.000 -0.666 0.000 1.278 208 F HN 0.482 nan 8.300 nan 0.000 0.484 209 S N 0.562 116.156 115.700 -0.177 0.000 2.572 209 S HA 0.876 5.346 4.470 0.000 0.000 0.274 209 S C -1.481 173.029 174.600 -0.150 0.000 1.150 209 S CA -0.355 57.743 58.200 -0.169 0.000 0.944 209 S CB 1.228 64.355 63.200 -0.122 0.000 1.071 209 S HN 1.014 nan 8.310 nan 0.000 0.479 210 A N 2.586 125.285 122.820 -0.202 0.000 2.549 210 A HA 0.897 5.217 4.320 0.000 0.000 0.297 210 A C -0.464 176.977 177.584 -0.238 0.000 1.061 210 A CA -0.634 51.194 52.037 -0.349 0.000 0.690 210 A CB 1.623 20.216 19.000 -0.678 0.000 1.287 210 A HN 1.031 nan 8.150 nan 0.000 0.402 211 T N -1.094 113.349 114.554 -0.185 0.000 2.896 211 T HA 0.834 5.184 4.350 0.000 0.000 0.297 211 T C -0.024 174.761 174.700 0.141 0.000 1.108 211 T CA -0.069 62.034 62.100 0.004 0.000 1.004 211 T CB 1.427 70.331 68.868 0.059 0.000 1.159 211 T HN 1.381 nan 8.240 nan 0.000 0.499 212 T N -0.898 113.757 114.554 0.170 0.000 2.948 212 T HA 0.760 5.110 4.350 0.000 0.000 0.285 212 T C 0.894 175.696 174.700 0.170 0.000 1.019 212 T CA -0.576 61.652 62.100 0.213 0.000 1.013 212 T CB 0.915 69.885 68.868 0.170 0.000 1.117 212 T HN 1.059 nan 8.240 nan 0.000 0.533 213 G N -0.332 108.581 108.800 0.187 0.000 2.614 213 G HA2 0.396 4.356 3.960 0.000 0.000 0.239 213 G HA3 0.396 4.356 3.960 0.000 0.000 0.239 213 G C 0.520 175.496 174.900 0.126 0.000 1.240 213 G CA -0.814 44.387 45.100 0.168 0.000 0.842 213 G HN 0.795 nan 8.290 nan 0.000 0.584 214 L N 0.447 121.719 121.223 0.081 0.000 2.591 214 L HA 0.156 4.496 4.340 0.000 0.000 0.228 214 L C 0.908 177.819 176.870 0.069 0.000 1.133 214 L CA 0.153 55.033 54.840 0.067 0.000 0.880 214 L CB -0.241 41.849 42.059 0.050 0.000 1.033 214 L HN 0.246 nan 8.230 nan 0.000 0.450 215 S N -1.105 114.661 115.700 0.110 0.000 2.621 215 S HA 0.233 4.703 4.470 0.000 0.000 0.302 215 S C 0.810 175.515 174.600 0.174 0.000 1.093 215 S CA -0.760 57.532 58.200 0.152 0.000 1.017 215 S CB 2.165 65.498 63.200 0.221 0.000 1.077 215 S HN 0.014 nan 8.310 nan 0.000 0.517 216 E N 1.621 121.893 120.200 0.121 0.000 2.171 216 E HA -0.120 4.230 4.350 0.000 0.000 0.197 216 E C 1.568 178.189 176.600 0.035 0.000 0.997 216 E CA 1.215 57.655 56.400 0.067 0.000 0.810 216 E CB -0.395 29.329 29.700 0.040 0.000 0.738 216 E HN 0.828 nan 8.360 nan 0.000 0.467 217 G N -1.518 107.300 108.800 0.030 0.000 3.324 217 G HA2 0.013 3.973 3.960 0.000 0.000 0.251 217 G HA3 0.013 3.973 3.960 0.000 0.000 0.251 217 G C -0.255 174.446 174.900 -0.331 0.000 1.072 217 G CA -0.322 44.685 45.100 -0.155 0.000 0.787 217 G HN 0.060 nan 8.290 nan 0.000 0.537 218 Y N 1.728 122.018 120.300 -0.016 0.000 2.931 218 Y HA 0.513 5.063 4.550 0.000 0.000 0.330 218 Y C 0.362 176.273 175.900 0.018 0.000 1.115 218 Y CA -1.130 56.969 58.100 -0.001 0.000 1.283 218 Y CB 0.116 38.591 38.460 0.024 0.000 1.215 218 Y HN 0.159 nan 8.280 nan 0.000 0.534 219 I N -0.481 120.112 120.570 0.038 0.000 2.894 219 I HA 0.819 4.989 4.170 0.000 0.000 0.302 219 I C -1.116 175.000 176.117 -0.003 0.000 1.188 219 I CA -1.177 60.148 61.300 0.043 0.000 1.014 219 I CB 2.967 40.972 38.000 0.008 0.000 1.242 219 I HN 0.353 nan 8.210 nan 0.000 0.430 220 E N 1.975 122.180 120.200 0.009 0.000 2.416 220 E HA 0.444 4.794 4.350 0.000 0.000 0.280 220 E C -1.491 174.987 176.600 -0.203 0.000 1.055 220 E CA -0.829 55.538 56.400 -0.055 0.000 0.825 220 E CB 2.101 31.833 29.700 0.054 0.000 1.312 220 E HN 0.766 nan 8.360 nan 0.000 0.452 221 T N -1.089 113.328 114.554 -0.228 0.000 2.934 221 T HA 0.439 4.789 4.350 0.000 0.000 0.283 221 T C -0.426 174.007 174.700 -0.445 0.000 1.005 221 T CA -0.644 61.319 62.100 -0.228 0.000 1.041 221 T CB 0.908 69.719 68.868 -0.095 0.000 1.042 221 T HN 0.506 nan 8.240 nan 0.000 0.505 222 H N 1.802 120.858 119.070 -0.024 0.000 2.953 222 H HA 0.358 4.914 4.556 0.000 0.000 0.290 222 H C -1.245 173.995 175.328 -0.146 0.000 1.113 222 H CA -0.683 55.324 56.048 -0.068 0.000 1.454 222 H CB 0.891 30.607 29.762 -0.076 0.000 1.525 222 H HN 0.641 nan 8.280 nan 0.000 0.505 223 D N 2.501 122.863 120.400 -0.064 0.000 2.308 223 D HA 0.243 4.883 4.640 0.000 0.000 0.242 223 D C 0.075 176.256 176.300 -0.199 0.000 1.059 223 D CA -0.546 53.372 54.000 -0.137 0.000 0.830 223 D CB 3.079 43.830 40.800 -0.082 0.000 1.161 223 D HN 0.129 nan 8.370 nan 0.000 0.494 224 V N 3.595 123.298 119.914 -0.351 0.000 2.350 224 V HA 0.188 4.308 4.120 0.000 0.000 0.276 224 V C 1.307 177.297 176.094 -0.174 0.000 1.028 224 V CA -0.421 61.647 62.300 -0.386 0.000 0.860 224 V CB 1.388 32.722 31.823 -0.816 0.000 0.990 224 V HN 0.492 nan 8.190 nan 0.000 0.453 225 L N 3.514 124.775 121.223 0.063 0.000 2.477 225 L HA 0.273 4.613 4.340 0.000 0.000 0.220 225 L C 0.757 177.893 176.870 0.444 0.000 1.106 225 L CA 0.488 55.459 54.840 0.219 0.000 0.851 225 L CB 0.323 42.465 42.059 0.137 0.000 0.994 225 L HN 0.816 nan 8.230 nan 0.000 0.462 226 S N -2.000 114.016 115.700 0.527 0.000 2.565 226 S HA 0.466 4.936 4.470 0.000 0.000 0.274 226 S C -2.167 172.885 174.600 0.753 0.000 1.144 226 S CA -0.776 57.761 58.200 0.561 0.000 0.849 226 S CB 1.935 65.331 63.200 0.327 0.000 1.103 226 S HN 0.156 nan 8.310 nan 0.000 0.455 227 W N 1.897 123.519 121.300 0.537 0.000 3.425 227 W HA 0.741 5.401 4.660 0.000 0.000 0.318 227 W C -1.722 175.095 176.519 0.497 0.000 1.201 227 W CA -0.327 57.398 57.345 0.633 0.000 1.212 227 W CB 1.654 31.651 29.460 0.894 0.000 1.355 227 W HN 0.913 nan 8.180 nan 0.000 0.515 228 S N 4.721 120.619 115.700 0.331 0.000 2.548 228 S HA 0.825 5.295 4.470 0.000 0.000 0.286 228 S C -1.833 172.550 174.600 -0.362 0.000 1.098 228 S CA -0.547 57.557 58.200 -0.160 0.000 0.930 228 S CB 2.244 65.414 63.200 -0.049 0.000 1.070 228 S HN 0.348 nan 8.310 nan 0.000 0.480 229 F N 1.040 120.375 119.950 -1.024 0.000 2.608 229 F HA 0.739 5.266 4.527 0.000 0.000 0.309 229 F C -1.394 174.023 175.800 -0.638 0.000 1.103 229 F CA -0.270 57.226 58.000 -0.841 0.000 0.954 229 F CB 1.313 39.548 39.000 -1.276 0.000 1.267 229 F HN 0.776 nan 8.300 nan 0.000 0.444 230 A N 3.233 125.423 122.820 -1.051 0.000 2.517 230 A HA 0.720 5.040 4.320 0.000 0.000 0.297 230 A C -1.583 175.658 177.584 -0.572 0.000 1.050 230 A CA -0.405 51.290 52.037 -0.570 0.000 0.694 230 A CB 1.732 20.535 19.000 -0.327 0.000 1.277 230 A HN 0.884 nan 8.150 nan 0.000 0.400 231 S N 1.233 116.820 115.700 -0.188 0.000 2.541 231 S HA 0.740 5.210 4.470 0.000 0.000 0.280 231 S C -1.330 173.320 174.600 0.082 0.000 1.112 231 S CA -0.545 57.677 58.200 0.036 0.000 0.925 231 S CB 1.417 64.767 63.200 0.250 0.000 1.067 231 S HN 0.715 nan 8.310 nan 0.000 0.479 232 K N 3.688 124.157 120.400 0.115 0.000 2.578 232 K HA 0.422 4.742 4.320 0.000 0.000 0.250 232 K C -1.980 174.686 176.600 0.110 0.000 0.955 232 K CA -0.654 55.684 56.287 0.086 0.000 0.825 232 K CB 1.375 33.903 32.500 0.046 0.000 1.151 232 K HN 0.584 nan 8.250 nan 0.000 0.432 233 L N 6.756 128.037 121.223 0.096 0.000 2.276 233 L HA 0.488 4.828 4.340 0.000 0.000 0.286 233 L C -2.522 174.389 176.870 0.069 0.000 1.024 233 L CA -1.792 53.103 54.840 0.093 0.000 0.826 233 L CB 1.052 43.157 42.059 0.077 0.000 1.211 233 L HN 0.456 nan 8.230 nan 0.000 0.422 234 P HA 0.187 nan 4.420 nan 0.000 0.274 234 P C -1.012 176.317 177.300 0.048 0.000 1.260 234 P CA -0.302 62.828 63.100 0.050 0.000 0.793 234 P CB 0.595 32.323 31.700 0.047 0.000 1.048 235 D N 0.000 120.423 120.400 0.039 0.000 6.856 235 D HA 0.000 4.640 4.640 0.000 0.000 0.175 235 D CA 0.000 54.022 54.000 0.036 0.000 0.868 235 D CB 0.000 40.818 40.800 0.029 0.000 0.688 235 D HN 0.000 nan 8.370 nan 0.000 0.683