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 2au5_1_A DATA FIRST_RESID 0 DATA SEQUENCE AXLILSXXXX PNFEYEEITR SFLSNXLAFT RGHFTGDISH FSPIVLAEXE DATA SEQUENCE KDPNWLEEAA GGXQGVIVQS LLEDENFSSV EQLKGELARL IRLYFALAKD DATA SEQUENCE NLTENQESLY VDLFDKFTFL LLCSDEFIXY LDS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 0 A HA 0.000 nan 4.320 nan 0.000 0.244 0 A C 0.000 177.577 177.584 -0.012 0.000 1.274 0 A CA 0.000 52.031 52.037 -0.009 0.000 0.836 0 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 3 I N 3.266 123.831 120.570 -0.008 0.000 2.281 3 I HA 0.240 4.409 4.170 -0.002 0.000 0.293 3 I C 0.313 176.425 176.117 -0.009 0.000 1.085 3 I CA 0.013 61.309 61.300 -0.007 0.000 1.257 3 I CB 0.746 38.742 38.000 -0.006 0.000 1.430 3 I HN 0.094 nan 8.210 nan 0.000 0.489 4 L N 6.004 127.222 121.223 -0.009 0.000 2.461 4 L HA 0.141 4.480 4.340 -0.002 0.000 0.272 4 L C 0.942 177.804 176.870 -0.013 0.000 1.197 4 L CA 0.275 55.108 54.840 -0.012 0.000 0.836 4 L CB 0.661 42.714 42.059 -0.010 0.000 1.105 4 L HN 0.725 nan 8.230 nan 0.000 0.477 11 N N -0.278 118.314 118.700 -0.179 0.000 2.776 11 N HA -0.138 4.601 4.740 -0.002 0.000 0.249 11 N C 0.657 176.252 175.510 0.141 0.000 1.111 11 N CA 0.896 53.992 53.050 0.076 0.000 0.711 11 N CB -1.705 36.827 38.487 0.074 0.000 1.065 11 N HN 0.150 nan 8.380 nan 0.000 0.556 12 F N 1.494 121.532 119.950 0.147 0.000 2.154 12 F HA -0.202 4.324 4.527 -0.001 0.000 0.301 12 F C 2.485 178.340 175.800 0.091 0.000 1.087 12 F CA 1.826 59.898 58.000 0.119 0.000 1.274 12 F CB -0.170 38.880 39.000 0.083 0.000 1.009 12 F HN 0.274 nan 8.300 nan 0.000 0.485 13 E N -0.357 119.969 120.200 0.212 0.000 2.409 13 E HA -0.237 4.112 4.350 -0.002 0.000 0.198 13 E C 1.193 177.713 176.600 -0.133 0.000 1.024 13 E CA 1.309 57.703 56.400 -0.011 0.000 0.861 13 E CB -0.950 28.663 29.700 -0.145 0.000 0.788 13 E HN 0.503 nan 8.360 nan 0.000 0.521 14 Y N 0.980 121.341 120.300 0.102 0.000 2.457 14 Y HA 0.185 4.734 4.550 -0.001 0.000 0.263 14 Y C 2.272 178.250 175.900 0.131 0.000 1.164 14 Y CA 0.127 58.280 58.100 0.089 0.000 1.274 14 Y CB 0.278 38.773 38.460 0.059 0.000 1.097 14 Y HN 0.077 nan 8.280 nan 0.000 0.523 15 E N 1.324 121.685 120.200 0.269 0.000 2.033 15 E HA -0.322 4.027 4.350 -0.002 0.000 0.199 15 E C 2.007 178.744 176.600 0.228 0.000 1.011 15 E CA 1.804 58.353 56.400 0.250 0.000 0.815 15 E CB -0.006 29.849 29.700 0.258 0.000 0.755 15 E HN 0.609 nan 8.360 nan 0.000 0.451 16 E N -0.128 120.184 120.200 0.187 0.000 2.058 16 E HA -0.208 4.141 4.350 -0.002 0.000 0.194 16 E C 2.151 178.865 176.600 0.191 0.000 0.997 16 E CA 1.315 57.817 56.400 0.170 0.000 0.801 16 E CB -0.030 29.742 29.700 0.121 0.000 0.746 16 E HN 0.293 nan 8.360 nan 0.000 0.450 17 I N 1.203 121.886 120.570 0.188 0.000 2.286 17 I HA -0.213 3.956 4.170 -0.002 0.000 0.248 17 I C 2.303 178.597 176.117 0.295 0.000 1.115 17 I CA 1.340 62.768 61.300 0.214 0.000 1.392 17 I CB -1.513 36.601 38.000 0.191 0.000 1.065 17 I HN 0.190 nan 8.210 nan 0.000 0.418 18 T N 0.576 115.319 114.554 0.315 0.000 2.770 18 T HA -0.085 4.264 4.350 -0.002 0.000 0.263 18 T C 2.072 176.955 174.700 0.304 0.000 1.039 18 T CA 0.915 63.231 62.100 0.359 0.000 1.142 18 T CB -0.122 68.939 68.868 0.322 0.000 0.868 18 T HN 0.293 nan 8.240 nan 0.000 0.435 19 R N 1.022 121.691 120.500 0.281 0.000 2.096 19 R HA -0.057 4.282 4.340 -0.002 0.000 0.235 19 R C 2.908 179.422 176.300 0.356 0.000 1.127 19 R CA 1.461 57.777 56.100 0.360 0.000 0.968 19 R CB -0.482 30.069 30.300 0.418 0.000 0.861 19 R HN 0.297 nan 8.270 nan 0.000 0.440 20 S N 0.479 116.346 115.700 0.278 0.000 2.368 20 S HA -0.177 4.292 4.470 -0.002 0.000 0.225 20 S C 1.736 176.441 174.600 0.174 0.000 1.030 20 S CA 1.021 59.346 58.200 0.208 0.000 0.999 20 S CB -0.283 63.023 63.200 0.177 0.000 0.844 20 S HN 0.358 nan 8.310 nan 0.000 0.459 21 F N 1.930 121.948 119.950 0.112 0.000 2.065 21 F HA -0.089 4.436 4.527 -0.004 0.000 0.298 21 F C 1.957 177.751 175.800 -0.010 0.000 1.112 21 F CA 1.843 59.901 58.000 0.097 0.000 1.212 21 F CB -0.459 38.697 39.000 0.259 0.000 0.975 21 F HN 0.209 nan 8.300 nan 0.000 0.476 22 L N -0.636 120.672 121.223 0.143 0.000 2.012 22 L HA -0.271 4.068 4.340 -0.002 0.000 0.210 22 L C 2.581 179.394 176.870 -0.095 0.000 1.073 22 L CA 1.654 56.431 54.840 -0.105 0.000 0.748 22 L CB -0.863 40.967 42.059 -0.383 0.000 0.891 22 L HN 0.115 nan 8.230 nan 0.000 0.431 23 S N -0.566 115.203 115.700 0.114 0.000 2.368 23 S HA -0.122 4.347 4.470 -0.002 0.000 0.225 23 S C 0.854 175.330 174.600 -0.207 0.000 1.030 23 S CA 0.680 58.934 58.200 0.090 0.000 0.999 23 S CB -0.532 62.777 63.200 0.181 0.000 0.844 23 S HN 0.460 nan 8.310 nan 0.000 0.459 27 A N 0.571 123.245 122.820 -0.243 0.000 1.908 27 A HA -0.162 4.157 4.320 -0.002 0.000 0.218 27 A C 1.905 179.717 177.584 0.380 0.000 1.181 27 A CA 1.925 54.065 52.037 0.172 0.000 0.627 27 A CB -0.579 18.498 19.000 0.127 0.000 0.818 27 A HN 0.350 nan 8.150 nan 0.000 0.445 28 F N 0.683 120.657 119.950 0.042 0.000 2.186 28 F HA -0.075 4.451 4.527 -0.002 0.000 0.299 28 F C 2.736 178.641 175.800 0.174 0.000 1.090 28 F CA 1.288 59.334 58.000 0.076 0.000 1.307 28 F CB -1.662 37.286 39.000 -0.087 0.000 1.019 28 F HN 0.147 nan 8.300 nan 0.000 0.489 29 T N -0.066 114.679 114.554 0.318 0.000 2.708 29 T HA -0.205 4.144 4.350 -0.002 0.000 0.266 29 T C 2.196 177.232 174.700 0.560 0.000 1.037 29 T CA 1.527 63.850 62.100 0.372 0.000 1.146 29 T CB -0.236 68.837 68.868 0.342 0.000 0.865 29 T HN 0.146 nan 8.240 nan 0.000 0.435 30 R N 0.541 121.315 120.500 0.455 0.000 2.075 30 R HA -0.054 4.285 4.340 -0.002 0.000 0.232 30 R C 2.728 179.124 176.300 0.159 0.000 1.126 30 R CA 1.553 57.716 56.100 0.105 0.000 0.963 30 R CB -0.704 29.516 30.300 -0.134 0.000 0.858 30 R HN 0.436 nan 8.270 nan 0.000 0.435 31 G N -0.517 108.472 108.800 0.315 0.000 2.422 31 G HA2 -0.344 3.615 3.960 -0.002 0.000 0.218 31 G HA3 -0.344 3.615 3.960 -0.002 0.000 0.218 31 G C 1.233 176.247 174.900 0.189 0.000 1.146 31 G CA 1.295 46.539 45.100 0.240 0.000 0.769 31 G HN 0.540 nan 8.290 nan 0.000 0.547 32 H N -0.257 118.896 119.070 0.138 0.000 2.353 32 H HA 0.011 4.566 4.556 -0.002 0.000 0.300 32 H C 1.990 177.255 175.328 -0.104 0.000 1.090 32 H CA 1.502 57.522 56.048 -0.047 0.000 1.327 32 H CB -0.265 29.376 29.762 -0.201 0.000 1.383 32 H HN 0.319 nan 8.280 nan 0.000 0.508 33 F N -0.075 119.921 119.950 0.075 0.000 2.367 33 F HA -0.013 4.513 4.527 -0.001 0.000 0.298 33 F C 2.677 178.468 175.800 -0.014 0.000 1.094 33 F CA 1.453 59.468 58.000 0.026 0.000 1.409 33 F CB -0.340 38.833 39.000 0.288 0.000 1.064 33 F HN 0.426 nan 8.300 nan 0.000 0.528 34 T N -4.456 110.172 114.554 0.124 0.000 3.040 34 T HA 0.351 4.700 4.350 -0.002 0.000 0.252 34 T C 1.962 176.650 174.700 -0.020 0.000 1.064 34 T CA 0.657 62.776 62.100 0.032 0.000 1.110 34 T CB 0.043 68.885 68.868 -0.043 0.000 0.921 34 T HN 0.351 nan 8.240 nan 0.000 0.480 35 G N 1.656 110.431 108.800 -0.042 0.000 2.184 35 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.264 35 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.264 35 G C -0.150 174.684 174.900 -0.109 0.000 0.975 35 G CA 0.246 45.306 45.100 -0.066 0.000 0.642 35 G HN 0.788 nan 8.290 nan 0.000 0.536 36 D N 0.840 121.162 120.400 -0.130 0.000 2.338 36 D HA 0.393 5.032 4.640 -0.002 0.000 0.255 36 D C 1.520 177.589 176.300 -0.385 0.000 1.237 36 D CA -0.231 53.657 54.000 -0.185 0.000 0.883 36 D CB -0.156 40.560 40.800 -0.139 0.000 1.087 36 D HN 0.683 nan 8.370 nan 0.000 0.485 37 I N 1.170 121.474 120.570 -0.442 0.000 3.531 37 I HA 0.202 4.371 4.170 -0.002 0.000 0.341 37 I C 1.131 176.962 176.117 -0.476 0.000 1.550 37 I CA -0.518 60.280 61.300 -0.837 0.000 1.087 37 I CB 0.193 37.841 38.000 -0.586 0.000 1.408 37 I HN 0.184 nan 8.210 nan 0.000 0.484 38 S N 1.129 116.669 115.700 -0.267 0.000 2.335 38 S HA -0.238 4.231 4.470 -0.002 0.000 0.216 38 S C 1.447 176.091 174.600 0.073 0.000 1.032 38 S CA 1.204 59.364 58.200 -0.067 0.000 1.000 38 S CB -0.719 62.460 63.200 -0.034 0.000 0.928 38 S HN 0.707 nan 8.310 nan 0.000 0.434 39 H N 1.021 120.118 119.070 0.046 0.000 2.595 39 H HA 0.451 5.006 4.556 -0.001 0.000 0.264 39 H C -1.145 174.415 175.328 0.387 0.000 1.503 39 H CA -1.410 54.734 56.048 0.161 0.000 1.142 39 H CB -1.101 28.740 29.762 0.130 0.000 1.554 39 H HN 0.167 nan 8.280 nan 0.000 0.501 40 F N 0.813 120.723 119.950 -0.066 0.000 2.410 40 F HA 0.154 4.679 4.527 -0.003 0.000 0.348 40 F C 0.988 176.687 175.800 -0.170 0.000 1.106 40 F CA -0.919 57.043 58.000 -0.064 0.000 1.163 40 F CB 0.696 39.708 39.000 0.020 0.000 1.129 40 F HN 0.233 nan 8.300 nan 0.000 0.516 41 S N 5.415 121.097 115.700 -0.031 0.000 2.571 41 S HA -0.020 4.449 4.470 -0.002 0.000 0.298 41 S C -1.571 173.017 174.600 -0.020 0.000 1.280 41 S CA -0.808 57.355 58.200 -0.062 0.000 1.052 41 S CB 0.633 63.810 63.200 -0.039 0.000 0.799 41 S HN 0.404 nan 8.310 nan 0.000 0.501 42 P HA -0.099 nan 4.420 nan 0.000 0.219 42 P C 1.378 178.641 177.300 -0.061 0.000 1.146 42 P CA 0.842 63.926 63.100 -0.026 0.000 0.808 42 P CB -0.006 31.685 31.700 -0.014 0.000 0.779 43 I N -1.295 119.234 120.570 -0.068 0.000 2.233 43 I HA -0.132 4.037 4.170 -0.002 0.000 0.243 43 I C 2.256 178.248 176.117 -0.208 0.000 1.093 43 I CA 1.322 62.559 61.300 -0.105 0.000 1.380 43 I CB -1.371 36.590 38.000 -0.065 0.000 1.067 43 I HN -0.121 nan 8.210 nan 0.000 0.413 44 V N 1.333 121.118 119.914 -0.216 0.000 2.343 44 V HA -0.255 3.864 4.120 -0.002 0.000 0.247 44 V C 2.653 178.513 176.094 -0.390 0.000 1.051 44 V CA 1.437 63.484 62.300 -0.422 0.000 1.036 44 V CB -0.565 31.080 31.823 -0.297 0.000 0.654 44 V HN 0.325 nan 8.190 nan 0.000 0.451 45 L N 0.107 121.240 121.223 -0.150 0.000 2.042 45 L HA -0.209 4.130 4.340 -0.002 0.000 0.210 45 L C 2.712 179.483 176.870 -0.165 0.000 1.076 45 L CA 1.720 56.506 54.840 -0.091 0.000 0.749 45 L CB -0.827 41.223 42.059 -0.014 0.000 0.893 45 L HN 0.388 nan 8.230 nan 0.000 0.432 46 A N -0.969 121.740 122.820 -0.185 0.000 1.930 46 A HA -0.081 4.238 4.320 -0.002 0.000 0.217 46 A C 1.361 178.785 177.584 -0.266 0.000 1.175 46 A CA 0.800 52.729 52.037 -0.179 0.000 0.627 46 A CB -0.215 18.704 19.000 -0.135 0.000 0.815 46 A HN 0.264 nan 8.150 nan 0.000 0.443 50 K N 0.945 121.303 120.400 -0.071 0.000 2.097 50 K HA -0.058 4.261 4.320 -0.002 0.000 0.205 50 K C 0.429 177.031 176.600 0.002 0.000 1.050 50 K CA 1.314 57.579 56.287 -0.037 0.000 0.938 50 K CB 0.118 32.589 32.500 -0.048 0.000 0.718 50 K HN -0.091 nan 8.250 nan 0.000 0.442 51 D N -0.504 119.909 120.400 0.022 0.000 2.473 51 D HA 0.122 4.761 4.640 -0.002 0.000 0.253 51 D C -2.143 174.224 176.300 0.112 0.000 1.233 51 D CA -2.443 51.610 54.000 0.088 0.000 0.908 51 D CB 1.610 42.509 40.800 0.165 0.000 1.170 51 D HN -0.199 nan 8.370 nan 0.000 0.558 52 P HA -0.033 nan 4.420 nan 0.000 0.230 52 P C 0.302 177.654 177.300 0.087 0.000 1.158 52 P CA 0.557 63.699 63.100 0.071 0.000 0.769 52 P CB 0.479 32.205 31.700 0.043 0.000 0.807 53 N N -1.878 116.875 118.700 0.088 0.000 2.236 53 N HA -0.033 4.706 4.740 -0.002 0.000 0.196 53 N C 1.376 176.916 175.510 0.050 0.000 1.114 53 N CA -0.132 52.951 53.050 0.056 0.000 0.859 53 N CB -0.418 38.078 38.487 0.015 0.000 0.982 53 N HN 0.202 nan 8.380 nan 0.000 0.493 54 W N 1.871 123.137 121.300 -0.056 0.000 2.304 54 W HA -0.219 4.443 4.660 0.003 0.000 0.315 54 W C 2.011 178.444 176.519 -0.143 0.000 1.233 54 W CA 1.277 58.565 57.345 -0.094 0.000 1.261 54 W CB -0.226 29.171 29.460 -0.104 0.000 1.150 54 W HN 0.052 nan 8.180 nan 0.000 0.494 55 L N 1.004 122.321 121.223 0.155 0.000 2.044 55 L HA -0.129 4.210 4.340 -0.002 0.000 0.205 55 L C 2.451 179.205 176.870 -0.194 0.000 1.075 55 L CA 2.716 57.562 54.840 0.009 0.000 0.747 55 L CB -1.445 40.745 42.059 0.219 0.000 0.903 55 L HN 0.253 nan 8.230 nan 0.000 0.435 56 E N -0.588 119.527 120.200 -0.141 0.000 2.085 56 E HA -0.275 4.074 4.350 -0.002 0.000 0.194 56 E C 1.966 178.356 176.600 -0.350 0.000 0.994 56 E CA 1.690 57.867 56.400 -0.371 0.000 0.801 56 E CB -0.155 29.407 29.700 -0.230 0.000 0.743 56 E HN 0.655 nan 8.360 nan 0.000 0.453 57 E N -0.114 119.903 120.200 -0.304 0.000 2.106 57 E HA -0.145 4.204 4.350 -0.002 0.000 0.192 57 E C 2.005 178.370 176.600 -0.392 0.000 0.984 57 E CA 0.785 57.001 56.400 -0.308 0.000 0.806 57 E CB -0.077 29.458 29.700 -0.276 0.000 0.750 57 E HN 0.405 nan 8.360 nan 0.000 0.458 58 A N 1.475 123.925 122.820 -0.618 0.000 1.855 58 A HA -0.102 4.217 4.320 -0.002 0.000 0.215 58 A C 2.390 179.827 177.584 -0.244 0.000 1.191 58 A CA 1.658 53.332 52.037 -0.605 0.000 0.613 58 A CB -0.726 17.554 19.000 -1.200 0.000 0.829 58 A HN 0.296 nan 8.150 nan 0.000 0.442 59 A N -0.511 122.199 122.820 -0.184 0.000 1.883 59 A HA 0.075 4.394 4.320 -0.002 0.000 0.217 59 A C 2.429 179.931 177.584 -0.137 0.000 1.186 59 A CA 2.135 54.120 52.037 -0.086 0.000 0.624 59 A CB -1.443 17.516 19.000 -0.069 0.000 0.822 59 A HN 0.756 nan 8.150 nan 0.000 0.444 60 G N -0.507 108.179 108.800 -0.190 0.000 2.402 60 G HA2 0.256 4.215 3.960 -0.002 0.000 0.216 60 G HA3 0.256 4.215 3.960 -0.002 0.000 0.216 60 G C 1.060 175.893 174.900 -0.112 0.000 1.162 60 G CA 0.850 45.861 45.100 -0.147 0.000 0.777 60 G HN 0.862 nan 8.290 nan 0.000 0.539 64 G N 1.086 109.852 108.800 -0.057 0.000 2.446 64 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.217 64 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.217 64 G C 1.309 176.165 174.900 -0.074 0.000 1.168 64 G CA 1.446 46.508 45.100 -0.063 0.000 0.771 64 G HN 0.142 nan 8.290 nan 0.000 0.551 65 V N 1.105 120.969 119.914 -0.084 0.000 2.332 65 V HA -0.179 3.940 4.120 -0.002 0.000 0.248 65 V C 2.805 178.846 176.094 -0.088 0.000 1.055 65 V CA 1.666 63.876 62.300 -0.151 0.000 1.038 65 V CB -0.376 31.239 31.823 -0.347 0.000 0.651 65 V HN 0.406 nan 8.190 nan 0.000 0.450 66 I N -0.571 119.976 120.570 -0.038 0.000 2.179 66 I HA -0.213 3.956 4.170 -0.002 0.000 0.242 66 I C 2.364 178.425 176.117 -0.094 0.000 1.088 66 I CA 1.334 62.582 61.300 -0.087 0.000 1.357 66 I CB -0.464 37.499 38.000 -0.061 0.000 1.051 66 I HN 0.127 nan 8.210 nan 0.000 0.409 67 V N 0.298 120.158 119.914 -0.090 0.000 2.295 67 V HA -0.305 3.814 4.120 -0.002 0.000 0.246 67 V C 2.417 178.452 176.094 -0.098 0.000 1.049 67 V CA 1.882 64.117 62.300 -0.108 0.000 1.024 67 V CB -0.765 31.001 31.823 -0.095 0.000 0.648 67 V HN 0.465 nan 8.190 nan 0.000 0.447 68 Q N -0.335 119.417 119.800 -0.080 0.000 2.119 68 Q HA -0.157 4.183 4.340 -0.002 0.000 0.201 68 Q C 2.526 178.491 176.000 -0.059 0.000 0.972 68 Q CA 1.817 57.581 55.803 -0.065 0.000 0.847 68 Q CB -0.256 28.446 28.738 -0.060 0.000 0.903 68 Q HN 0.591 nan 8.270 nan 0.000 0.433 69 S N 1.025 116.687 115.700 -0.063 0.000 2.353 69 S HA -0.112 4.357 4.470 -0.002 0.000 0.222 69 S C 1.805 176.370 174.600 -0.059 0.000 1.035 69 S CA 1.065 59.236 58.200 -0.048 0.000 1.025 69 S CB -0.186 62.985 63.200 -0.049 0.000 0.902 69 S HN 0.306 nan 8.310 nan 0.000 0.440 70 L N 1.012 122.184 121.223 -0.085 0.000 2.554 70 L HA 0.152 4.491 4.340 -0.002 0.000 0.226 70 L C 1.650 178.490 176.870 -0.049 0.000 1.137 70 L CA 0.215 55.013 54.840 -0.069 0.000 0.863 70 L CB -0.382 41.591 42.059 -0.143 0.000 0.985 70 L HN 0.264 nan 8.230 nan 0.000 0.451 71 L N -0.271 120.913 121.223 -0.066 0.000 2.456 71 L HA -0.118 4.221 4.340 -0.002 0.000 0.224 71 L C 1.789 178.659 176.870 -0.000 0.000 1.148 71 L CA 0.939 55.757 54.840 -0.036 0.000 0.825 71 L CB -0.130 41.901 42.059 -0.046 0.000 0.937 71 L HN 0.332 nan 8.230 nan 0.000 0.450 72 E N -1.032 119.166 120.200 -0.004 0.000 2.463 72 E HA 0.008 4.357 4.350 -0.002 0.000 0.193 72 E C 0.039 176.642 176.600 0.006 0.000 1.041 72 E CA -0.133 56.266 56.400 -0.003 0.000 0.879 72 E CB 0.353 30.043 29.700 -0.017 0.000 0.997 72 E HN 0.273 nan 8.360 nan 0.000 0.478 73 D N 1.515 121.940 120.400 0.042 0.000 2.232 73 D HA 0.033 4.672 4.640 -0.002 0.000 0.242 73 D C 0.555 176.886 176.300 0.051 0.000 1.093 73 D CA -0.037 53.989 54.000 0.043 0.000 0.845 73 D CB 1.106 41.955 40.800 0.081 0.000 1.124 73 D HN -0.020 nan 8.370 nan 0.000 0.467 74 E N 2.407 122.598 120.200 -0.015 0.000 2.472 74 E HA -0.089 4.260 4.350 -0.002 0.000 0.200 74 E C 0.891 177.436 176.600 -0.091 0.000 1.046 74 E CA 0.199 56.580 56.400 -0.031 0.000 0.871 74 E CB 0.258 29.936 29.700 -0.037 0.000 0.806 74 E HN 0.462 nan 8.360 nan 0.000 0.533 75 N N 0.265 118.854 118.700 -0.186 0.000 2.520 75 N HA -0.061 4.678 4.740 -0.002 0.000 0.185 75 N C -0.125 174.966 175.510 -0.699 0.000 1.068 75 N CA 0.765 53.554 53.050 -0.435 0.000 0.911 75 N CB 0.145 38.298 38.487 -0.555 0.000 0.961 75 N HN 0.048 nan 8.380 nan 0.000 0.446 76 F N -0.624 119.283 119.950 -0.072 0.000 2.508 76 F HA 0.254 4.782 4.527 0.001 0.000 0.325 76 F C 1.377 177.153 175.800 -0.040 0.000 1.090 76 F CA -0.971 56.994 58.000 -0.058 0.000 0.945 76 F CB 1.710 40.675 39.000 -0.060 0.000 1.156 76 F HN -0.193 nan 8.300 nan 0.000 0.463 77 S N -0.813 114.969 115.700 0.136 0.000 2.497 77 S HA 0.182 4.651 4.470 -0.002 0.000 0.221 77 S C 0.358 174.997 174.600 0.066 0.000 1.037 77 S CA 0.271 58.511 58.200 0.068 0.000 0.920 77 S CB -0.088 63.132 63.200 0.033 0.000 0.800 77 S HN 0.572 nan 8.310 nan 0.000 0.505 78 S N 0.015 115.765 115.700 0.084 0.000 2.632 78 S HA 0.627 5.096 4.470 -0.002 0.000 0.289 78 S C 0.770 175.392 174.600 0.037 0.000 1.115 78 S CA -0.566 57.663 58.200 0.049 0.000 0.889 78 S CB 1.432 64.654 63.200 0.036 0.000 1.116 78 S HN -0.057 nan 8.310 nan 0.000 0.486 79 V N 1.213 121.130 119.914 0.006 0.000 2.407 79 V HA -0.134 3.985 4.120 -0.002 0.000 0.248 79 V C 2.457 178.537 176.094 -0.023 0.000 1.055 79 V CA 2.280 64.565 62.300 -0.024 0.000 1.049 79 V CB -1.300 30.509 31.823 -0.023 0.000 0.662 79 V HN 0.885 nan 8.190 nan 0.000 0.455 80 E N 0.044 120.244 120.200 0.000 0.000 2.077 80 E HA -0.243 4.106 4.350 -0.002 0.000 0.193 80 E C 2.275 178.888 176.600 0.023 0.000 0.989 80 E CA 1.471 57.876 56.400 0.007 0.000 0.800 80 E CB -0.345 29.363 29.700 0.013 0.000 0.746 80 E HN 0.667 nan 8.360 nan 0.000 0.452 81 Q N 0.068 119.898 119.800 0.050 0.000 2.084 81 Q HA -0.170 4.169 4.340 -0.002 0.000 0.202 81 Q C 2.146 178.209 176.000 0.104 0.000 0.978 81 Q CA 1.136 57.001 55.803 0.103 0.000 0.844 81 Q CB -0.100 28.730 28.738 0.153 0.000 0.898 81 Q HN 0.295 nan 8.270 nan 0.000 0.426 82 L N 1.143 122.351 121.223 -0.025 0.000 1.994 82 L HA -0.148 4.191 4.340 -0.002 0.000 0.208 82 L C 1.991 178.775 176.870 -0.143 0.000 1.071 82 L CA 1.949 56.583 54.840 -0.343 0.000 0.745 82 L CB -0.423 41.299 42.059 -0.562 0.000 0.892 82 L HN 0.043 nan 8.230 nan 0.000 0.431 83 K N -0.508 119.841 120.400 -0.084 0.000 2.097 83 K HA -0.077 4.242 4.320 -0.002 0.000 0.206 83 K C 2.014 178.612 176.600 -0.004 0.000 1.049 83 K CA 1.130 57.390 56.287 -0.045 0.000 0.933 83 K CB -0.725 31.750 32.500 -0.042 0.000 0.717 83 K HN 0.574 nan 8.250 nan 0.000 0.442 84 G N 1.643 110.456 108.800 0.021 0.000 2.440 84 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.218 84 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.218 84 G C 1.279 176.232 174.900 0.089 0.000 1.154 84 G CA 0.738 45.864 45.100 0.044 0.000 0.767 84 G HN 0.236 nan 8.290 nan 0.000 0.552 85 E N -0.045 120.251 120.200 0.160 0.000 2.072 85 E HA -0.066 4.283 4.350 -0.002 0.000 0.191 85 E C 2.501 179.282 176.600 0.301 0.000 0.985 85 E CA 0.600 57.177 56.400 0.294 0.000 0.801 85 E CB -0.329 29.634 29.700 0.437 0.000 0.750 85 E HN 0.385 nan 8.360 nan 0.000 0.452 86 L N 1.286 122.613 121.223 0.175 0.000 2.017 86 L HA -0.063 4.276 4.340 -0.002 0.000 0.208 86 L C 2.273 179.071 176.870 -0.120 0.000 1.073 86 L CA 2.037 56.767 54.840 -0.184 0.000 0.745 86 L CB -0.812 41.119 42.059 -0.215 0.000 0.894 86 L HN 0.019 nan 8.230 nan 0.000 0.432 87 A N -0.430 122.360 122.820 -0.050 0.000 1.940 87 A HA -0.262 4.057 4.320 -0.002 0.000 0.219 87 A C 2.532 180.092 177.584 -0.040 0.000 1.176 87 A CA 1.868 53.869 52.037 -0.060 0.000 0.631 87 A CB -0.645 18.325 19.000 -0.051 0.000 0.814 87 A HN 0.533 nan 8.150 nan 0.000 0.446 88 R N -0.881 119.632 120.500 0.021 0.000 2.066 88 R HA -0.082 4.257 4.340 -0.002 0.000 0.232 88 R C 2.044 178.407 176.300 0.106 0.000 1.131 88 R CA 1.491 57.628 56.100 0.061 0.000 0.955 88 R CB -0.445 29.916 30.300 0.101 0.000 0.851 88 R HN 0.410 nan 8.270 nan 0.000 0.432 89 L N 1.136 122.424 121.223 0.108 0.000 2.013 89 L HA -0.178 4.161 4.340 -0.002 0.000 0.212 89 L C 1.998 178.999 176.870 0.218 0.000 1.073 89 L CA 1.797 56.731 54.840 0.157 0.000 0.753 89 L CB -0.341 41.685 42.059 -0.056 0.000 0.890 89 L HN 0.287 nan 8.230 nan 0.000 0.432 90 I N -0.820 119.793 120.570 0.072 0.000 2.179 90 I HA -0.320 3.849 4.170 -0.002 0.000 0.242 90 I C 2.744 178.890 176.117 0.049 0.000 1.088 90 I CA 1.654 63.009 61.300 0.091 0.000 1.357 90 I CB -0.462 37.518 38.000 -0.033 0.000 1.051 90 I HN 0.324 nan 8.210 nan 0.000 0.409 91 R N 1.458 121.909 120.500 -0.081 0.000 2.091 91 R HA -0.183 4.156 4.340 -0.002 0.000 0.238 91 R C 2.330 178.671 176.300 0.069 0.000 1.136 91 R CA 1.585 57.608 56.100 -0.129 0.000 0.959 91 R CB -0.297 29.935 30.300 -0.115 0.000 0.856 91 R HN 0.313 nan 8.270 nan 0.000 0.437 92 L N -0.359 120.958 121.223 0.156 0.000 2.083 92 L HA -0.194 4.145 4.340 -0.002 0.000 0.209 92 L C 2.434 179.365 176.870 0.101 0.000 1.083 92 L CA 1.327 56.268 54.840 0.169 0.000 0.752 92 L CB -0.606 41.635 42.059 0.304 0.000 0.899 92 L HN 0.264 nan 8.230 nan 0.000 0.433 93 Y N -0.088 120.279 120.300 0.113 0.000 2.207 93 Y HA -0.298 4.251 4.550 -0.001 0.000 0.287 93 Y C 2.284 178.298 175.900 0.191 0.000 1.156 93 Y CA 1.454 59.593 58.100 0.065 0.000 1.182 93 Y CB -0.193 38.443 38.460 0.294 0.000 0.979 93 Y HN -0.019 nan 8.280 nan 0.000 0.521 94 F N -0.156 119.829 119.950 0.058 0.000 2.134 94 F HA -0.160 4.365 4.527 -0.003 0.000 0.299 94 F C 2.616 178.345 175.800 -0.118 0.000 1.097 94 F CA 1.050 59.037 58.000 -0.021 0.000 1.264 94 F CB -1.453 37.574 39.000 0.046 0.000 1.001 94 F HN 0.148 nan 8.300 nan 0.000 0.479 95 A N -0.139 122.743 122.820 0.102 0.000 1.902 95 A HA -0.169 4.150 4.320 -0.002 0.000 0.217 95 A C 2.184 179.703 177.584 -0.109 0.000 1.181 95 A CA 1.557 53.592 52.037 -0.004 0.000 0.623 95 A CB -1.186 17.817 19.000 0.005 0.000 0.818 95 A HN 0.340 nan 8.150 nan 0.000 0.443 96 L N -0.112 120.983 121.223 -0.214 0.000 2.042 96 L HA -0.113 4.226 4.340 -0.002 0.000 0.210 96 L C 2.617 179.293 176.870 -0.324 0.000 1.076 96 L CA 2.262 56.909 54.840 -0.322 0.000 0.749 96 L CB -0.677 41.047 42.059 -0.558 0.000 0.893 96 L HN 0.340 nan 8.230 nan 0.000 0.432 97 A N -0.081 122.493 122.820 -0.410 0.000 2.019 97 A HA -0.197 4.122 4.320 -0.002 0.000 0.219 97 A C 1.894 179.362 177.584 -0.195 0.000 1.164 97 A CA 1.739 53.567 52.037 -0.349 0.000 0.644 97 A CB -0.626 18.132 19.000 -0.403 0.000 0.805 97 A HN 0.681 nan 8.150 nan 0.000 0.449 98 K N -0.867 119.443 120.400 -0.149 0.000 2.576 98 K HA 0.239 4.558 4.320 -0.002 0.000 0.209 98 K C -0.199 176.354 176.600 -0.079 0.000 1.049 98 K CA 0.318 56.548 56.287 -0.095 0.000 1.140 98 K CB -0.042 32.419 32.500 -0.065 0.000 0.871 98 K HN 0.034 nan 8.250 nan 0.000 0.479 99 D N 1.717 122.058 120.400 -0.098 0.000 2.701 99 D HA -0.220 4.419 4.640 -0.002 0.000 0.235 99 D C -0.706 175.560 176.300 -0.057 0.000 1.155 99 D CA 0.798 54.751 54.000 -0.078 0.000 0.649 99 D CB -1.501 39.262 40.800 -0.062 0.000 1.050 99 D HN 0.623 nan 8.370 nan 0.000 0.425 100 N N -0.239 118.426 118.700 -0.058 0.000 2.458 100 N HA 0.284 5.023 4.740 -0.002 0.000 0.274 100 N C -0.719 174.774 175.510 -0.028 0.000 1.242 100 N CA -0.370 52.659 53.050 -0.035 0.000 0.904 100 N CB 0.286 38.759 38.487 -0.023 0.000 1.206 100 N HN 0.278 nan 8.380 nan 0.000 0.510 101 L N 0.730 121.931 121.223 -0.036 0.000 2.329 101 L HA 0.474 4.813 4.340 -0.002 0.000 0.279 101 L C 0.739 177.606 176.870 -0.005 0.000 1.014 101 L CA -0.908 53.921 54.840 -0.019 0.000 0.814 101 L CB 1.697 43.736 42.059 -0.034 0.000 1.257 101 L HN 0.234 nan 8.230 nan 0.000 0.424 102 T N -1.976 112.583 114.554 0.008 0.000 2.766 102 T HA 0.025 4.374 4.350 -0.002 0.000 0.295 102 T C 0.960 175.672 174.700 0.020 0.000 1.024 102 T CA -0.396 61.712 62.100 0.012 0.000 1.018 102 T CB 1.152 70.029 68.868 0.017 0.000 1.002 102 T HN 0.683 nan 8.240 nan 0.000 0.532 103 E N 0.620 120.832 120.200 0.019 0.000 2.097 103 E HA -0.213 4.136 4.350 -0.002 0.000 0.196 103 E C 2.062 178.685 176.600 0.039 0.000 1.000 103 E CA 1.980 58.396 56.400 0.026 0.000 0.804 103 E CB -0.320 29.392 29.700 0.020 0.000 0.740 103 E HN 0.741 nan 8.360 nan 0.000 0.454 104 N N -0.615 118.106 118.700 0.036 0.000 2.166 104 N HA -0.176 4.563 4.740 -0.002 0.000 0.186 104 N C 1.882 177.428 175.510 0.060 0.000 1.019 104 N CA 1.032 54.108 53.050 0.043 0.000 0.856 104 N CB -0.052 38.455 38.487 0.034 0.000 0.993 104 N HN 0.273 nan 8.380 nan 0.000 0.426 105 Q N 0.779 120.615 119.800 0.060 0.000 2.167 105 Q HA -0.114 4.225 4.340 -0.002 0.000 0.202 105 Q C 1.527 177.600 176.000 0.122 0.000 0.970 105 Q CA 0.956 56.809 55.803 0.083 0.000 0.855 105 Q CB 0.069 28.845 28.738 0.062 0.000 0.911 105 Q HN 0.431 nan 8.270 nan 0.000 0.438 106 E N 0.074 120.334 120.200 0.099 0.000 2.077 106 E HA -0.162 4.187 4.350 -0.002 0.000 0.193 106 E C 2.107 178.811 176.600 0.173 0.000 0.989 106 E CA 0.925 57.408 56.400 0.139 0.000 0.800 106 E CB -0.035 29.715 29.700 0.082 0.000 0.746 106 E HN 0.111 nan 8.360 nan 0.000 0.452 107 S N 0.672 116.441 115.700 0.116 0.000 2.353 107 S HA -0.168 4.301 4.470 -0.002 0.000 0.222 107 S C 1.904 176.573 174.600 0.116 0.000 1.035 107 S CA 0.898 59.157 58.200 0.099 0.000 1.025 107 S CB -0.225 63.015 63.200 0.067 0.000 0.902 107 S HN 0.142 nan 8.310 nan 0.000 0.440 108 L N 0.750 122.048 121.223 0.125 0.000 2.012 108 L HA -0.120 4.219 4.340 -0.002 0.000 0.210 108 L C 2.014 178.995 176.870 0.185 0.000 1.073 108 L CA 2.107 57.028 54.840 0.135 0.000 0.748 108 L CB -1.121 41.015 42.059 0.129 0.000 0.891 108 L HN 0.502 nan 8.230 nan 0.000 0.431 109 Y N -0.784 119.588 120.300 0.119 0.000 2.097 109 Y HA -0.268 4.280 4.550 -0.002 0.000 0.282 109 Y C 2.355 178.377 175.900 0.203 0.000 1.152 109 Y CA 2.355 60.552 58.100 0.163 0.000 1.136 109 Y CB -0.680 37.864 38.460 0.140 0.000 0.975 109 Y HN 0.011 nan 8.280 nan 0.000 0.498 110 V N 0.662 120.614 119.914 0.063 0.000 2.358 110 V HA -0.271 3.848 4.120 -0.002 0.000 0.246 110 V C 1.987 178.106 176.094 0.042 0.000 1.047 110 V CA 2.165 64.457 62.300 -0.015 0.000 1.035 110 V CB -0.702 31.168 31.823 0.078 0.000 0.658 110 V HN 0.395 nan 8.190 nan 0.000 0.452 111 D N -0.175 120.264 120.400 0.064 0.000 2.104 111 D HA -0.154 4.485 4.640 -0.002 0.000 0.194 111 D C 1.895 178.245 176.300 0.084 0.000 0.994 111 D CA 1.074 55.113 54.000 0.065 0.000 0.830 111 D CB -0.311 40.522 40.800 0.054 0.000 0.959 111 D HN 0.278 nan 8.370 nan 0.000 0.452 112 L N -0.323 120.964 121.223 0.105 0.000 2.093 112 L HA -0.022 4.317 4.340 -0.002 0.000 0.208 112 L C 2.005 179.022 176.870 0.246 0.000 1.085 112 L CA 1.233 56.184 54.840 0.185 0.000 0.755 112 L CB -0.777 41.416 42.059 0.224 0.000 0.904 112 L HN -0.009 nan 8.230 nan 0.000 0.435 113 F N 0.205 120.110 119.950 -0.074 0.000 2.134 113 F HA -0.232 4.294 4.527 -0.001 0.000 0.299 113 F C 2.147 177.979 175.800 0.053 0.000 1.097 113 F CA 1.790 59.737 58.000 -0.088 0.000 1.264 113 F CB -0.088 38.687 39.000 -0.376 0.000 1.001 113 F HN 0.173 nan 8.300 nan 0.000 0.479 114 D N 0.283 120.849 120.400 0.277 0.000 2.117 114 D HA -0.183 4.456 4.640 -0.002 0.000 0.198 114 D C 2.162 178.548 176.300 0.143 0.000 0.982 114 D CA 1.084 55.211 54.000 0.212 0.000 0.828 114 D CB -0.405 40.488 40.800 0.154 0.000 0.967 114 D HN 0.305 nan 8.370 nan 0.000 0.464 115 K N -0.074 120.385 120.400 0.098 0.000 2.009 115 K HA -0.159 4.160 4.320 -0.002 0.000 0.210 115 K C 2.133 178.731 176.600 -0.003 0.000 1.049 115 K CA 1.024 57.334 56.287 0.039 0.000 0.929 115 K CB -0.302 32.160 32.500 -0.062 0.000 0.714 115 K HN 0.039 nan 8.250 nan 0.000 0.440 116 F N 1.229 121.164 119.950 -0.025 0.000 2.126 116 F HA -0.208 4.318 4.527 -0.002 0.000 0.299 116 F C 2.601 178.299 175.800 -0.169 0.000 1.096 116 F CA 1.709 59.642 58.000 -0.111 0.000 1.255 116 F CB -0.632 38.241 39.000 -0.210 0.000 0.997 116 F HN 0.120 nan 8.300 nan 0.000 0.479 117 T N 0.262 114.820 114.554 0.008 0.000 2.652 117 T HA -0.259 4.090 4.350 -0.002 0.000 0.267 117 T C 1.721 176.457 174.700 0.061 0.000 1.039 117 T CA 1.625 63.725 62.100 -0.000 0.000 1.153 117 T CB -0.757 68.159 68.868 0.080 0.000 0.863 117 T HN 0.220 nan 8.240 nan 0.000 0.428 118 F N 1.681 121.613 119.950 -0.030 0.000 2.095 118 F HA -0.053 4.473 4.527 -0.001 0.000 0.298 118 F C 1.926 177.679 175.800 -0.077 0.000 1.104 118 F CA 1.221 59.196 58.000 -0.041 0.000 1.232 118 F CB -0.533 38.443 39.000 -0.040 0.000 0.987 118 F HN 0.067 nan 8.300 nan 0.000 0.475 119 L N -0.561 120.531 121.223 -0.218 0.000 2.156 119 L HA -0.160 4.179 4.340 -0.002 0.000 0.208 119 L C 2.394 179.088 176.870 -0.294 0.000 1.095 119 L CA 0.681 55.324 54.840 -0.328 0.000 0.770 119 L CB -0.605 41.356 42.059 -0.164 0.000 0.914 119 L HN 0.211 nan 8.230 nan 0.000 0.439 120 L N -0.537 120.517 121.223 -0.281 0.000 2.093 120 L HA -0.197 4.142 4.340 -0.002 0.000 0.208 120 L C 2.413 179.174 176.870 -0.182 0.000 1.085 120 L CA 1.020 55.618 54.840 -0.404 0.000 0.755 120 L CB -0.386 41.154 42.059 -0.864 0.000 0.904 120 L HN 0.240 nan 8.230 nan 0.000 0.435 121 L N -1.168 119.963 121.223 -0.153 0.000 2.191 121 L HA -0.235 4.104 4.340 -0.002 0.000 0.212 121 L C 2.238 178.980 176.870 -0.213 0.000 1.103 121 L CA 0.710 55.486 54.840 -0.106 0.000 0.769 121 L CB -0.496 41.514 42.059 -0.082 0.000 0.908 121 L HN 0.419 nan 8.230 nan 0.000 0.438 122 C N -1.280 117.816 119.300 -0.341 0.000 2.618 122 C HA 0.046 4.505 4.460 -0.002 0.000 0.264 122 C C 1.662 176.529 174.990 -0.206 0.000 1.334 122 C CA -0.341 58.475 59.018 -0.337 0.000 1.731 122 C CB -0.692 26.743 27.740 -0.509 0.000 1.852 122 C HN 0.391 nan 8.230 nan 0.000 0.566 123 S N 0.987 116.599 115.700 -0.148 0.000 2.411 123 S HA 0.129 4.598 4.470 -0.002 0.000 0.294 123 S C 0.799 175.367 174.600 -0.054 0.000 1.115 123 S CA -0.318 57.836 58.200 -0.078 0.000 1.071 123 S CB 0.208 63.381 63.200 -0.045 0.000 0.967 123 S HN 0.346 nan 8.310 nan 0.000 0.488 124 D N 4.287 124.644 120.400 -0.072 0.000 2.123 124 D HA -0.117 4.522 4.640 -0.002 0.000 0.196 124 D C 1.495 177.756 176.300 -0.064 0.000 0.992 124 D CA 1.529 55.481 54.000 -0.079 0.000 0.833 124 D CB 0.085 40.846 40.800 -0.066 0.000 0.954 124 D HN 0.699 nan 8.370 nan 0.000 0.455 125 E N 0.167 120.349 120.200 -0.031 0.000 2.077 125 E HA -0.134 4.215 4.350 -0.002 0.000 0.193 125 E C 1.805 178.413 176.600 0.013 0.000 0.989 125 E CA 0.396 56.789 56.400 -0.012 0.000 0.800 125 E CB -0.508 29.188 29.700 -0.006 0.000 0.746 125 E HN 0.268 nan 8.360 nan 0.000 0.452 126 F N 0.992 120.861 119.950 -0.134 0.000 2.134 126 F HA -0.083 4.441 4.527 -0.004 0.000 0.299 126 F C 0.850 176.557 175.800 -0.155 0.000 1.097 126 F CA 0.529 58.435 58.000 -0.156 0.000 1.264 126 F CB 0.018 38.890 39.000 -0.214 0.000 1.001 126 F HN -0.148 nan 8.300 nan 0.000 0.479 130 L N 1.036 121.921 121.223 -0.563 0.000 2.093 130 L HA -0.109 4.230 4.340 -0.002 0.000 0.208 130 L C 1.565 178.273 176.870 -0.271 0.000 1.085 130 L CA 1.848 56.390 54.840 -0.497 0.000 0.755 130 L CB -0.408 41.392 42.059 -0.432 0.000 0.904 130 L HN 0.278 nan 8.230 nan 0.000 0.435 131 D N -0.667 119.617 120.400 -0.194 0.000 2.117 131 D HA -0.051 4.588 4.640 -0.002 0.000 0.197 131 D C 0.988 177.220 176.300 -0.113 0.000 0.987 131 D CA 0.897 54.852 54.000 -0.077 0.000 0.829 131 D CB 0.256 41.026 40.800 -0.050 0.000 0.961 131 D HN 0.140 nan 8.370 nan 0.000 0.460 132 S N 0.000 115.596 115.700 -0.173 0.000 2.498 132 S HA 0.000 4.469 4.470 -0.002 0.000 0.327 132 S CA 0.000 58.069 58.200 -0.218 0.000 1.107 132 S CB 0.000 63.117 63.200 -0.139 0.000 0.593 132 S HN 0.000 nan 8.310 nan 0.000 0.517