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 2pd6_1_A DATA FIRST_RESID 0 DATA SEQUENCE MXXXXXQNRL RSALALVTGA GSGIGRAVSV RLAGEGATVA ACDLDRAAAQ DATA SEQUENCE ETVRLLXXXX XXXXXXXXNH AAFQADVSEA RAARCLLEQV QACFSRPPSV DATA SEQUENCE VVSCAGITQD EFLLHMSEDD WDKVIAVNLK GTFLVTQAAA QALVSNGCRG DATA SEQUENCE SIINISSIVG KVGNVGQTNY AASKAGVIGL TQTAARELGR HGIRCNSVLP DATA SEQUENCE GFIATPMXXX XXXXXXXKIT EMIPMGHLGD PEDVADVVAF LASEDSGYIT DATA SEQUENCE GTSVEVTGGL 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 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.312 176.300 0.021 0.000 1.140 0 M CA 0.000 55.311 55.300 0.019 0.000 0.988 0 M CB 0.000 32.610 32.600 0.016 0.000 1.302 7 N N 0.254 118.968 118.700 0.024 0.000 2.757 7 N HA 0.272 5.013 4.740 0.001 0.000 0.296 7 N C -0.560 174.962 175.510 0.019 0.000 1.874 7 N CA -0.050 53.013 53.050 0.021 0.000 0.885 7 N CB 0.715 39.213 38.487 0.019 0.000 1.242 7 N HN 0.400 nan 8.380 nan 0.000 0.488 8 R N -0.098 120.414 120.500 0.021 0.000 2.334 8 R HA 0.340 4.680 4.340 0.001 0.000 0.216 8 R C 0.597 176.900 176.300 0.006 0.000 0.905 8 R CA 0.392 56.502 56.100 0.016 0.000 1.064 8 R CB 0.615 30.929 30.300 0.023 0.000 1.046 8 R HN 0.151 nan 8.270 nan 0.000 0.508 9 L N 0.314 121.541 121.223 0.007 0.000 3.288 9 L HA 0.292 4.632 4.340 0.001 0.000 0.293 9 L C 1.155 178.025 176.870 -0.000 0.000 1.294 9 L CA -0.329 54.511 54.840 -0.001 0.000 1.006 9 L CB 0.428 42.486 42.059 -0.001 0.000 1.407 9 L HN -0.052 nan 8.230 nan 0.000 0.592 10 R N 0.534 121.036 120.500 0.003 0.000 2.152 10 R HA -0.056 4.285 4.340 0.001 0.000 0.232 10 R C 1.967 178.264 176.300 -0.004 0.000 1.117 10 R CA 1.433 57.535 56.100 0.003 0.000 0.981 10 R CB -0.435 29.869 30.300 0.005 0.000 0.870 10 R HN 0.469 nan 8.270 nan 0.000 0.451 11 S N 0.286 115.980 115.700 -0.010 0.000 2.556 11 S HA 0.417 4.888 4.470 0.001 0.000 0.216 11 S C 0.804 175.387 174.600 -0.029 0.000 0.970 11 S CA 0.117 58.308 58.200 -0.015 0.000 0.912 11 S CB 0.307 63.500 63.200 -0.012 0.000 0.790 11 S HN 0.256 nan 8.310 nan 0.000 0.504 12 A N 0.846 123.646 122.820 -0.033 0.000 2.354 12 A HA 0.669 4.989 4.320 0.001 0.000 0.269 12 A C -0.369 177.165 177.584 -0.085 0.000 1.109 12 A CA -0.327 51.679 52.037 -0.051 0.000 0.800 12 A CB 0.265 19.240 19.000 -0.041 0.000 1.045 12 A HN 0.639 nan 8.150 nan 0.000 0.489 13 L N 2.518 123.667 121.223 -0.124 0.000 2.280 13 L HA 0.694 5.034 4.340 0.001 0.000 0.287 13 L C 0.142 176.911 176.870 -0.168 0.000 1.023 13 L CA -0.041 54.670 54.840 -0.215 0.000 0.819 13 L CB 0.998 42.878 42.059 -0.297 0.000 1.212 13 L HN 0.772 nan 8.230 nan 0.000 0.420 14 A N 5.314 128.045 122.820 -0.148 0.000 2.318 14 A HA 0.674 4.994 4.320 0.001 0.000 0.324 14 A C -1.317 176.210 177.584 -0.096 0.000 1.170 14 A CA -0.571 51.408 52.037 -0.096 0.000 0.810 14 A CB 1.039 20.006 19.000 -0.055 0.000 1.198 14 A HN 0.738 nan 8.150 nan 0.000 0.484 15 L N 3.793 124.963 121.223 -0.087 0.000 2.272 15 L HA 0.704 5.045 4.340 0.001 0.000 0.289 15 L C -1.032 175.813 176.870 -0.041 0.000 1.032 15 L CA -0.149 54.648 54.840 -0.072 0.000 0.810 15 L CB 1.521 43.516 42.059 -0.107 0.000 1.205 15 L HN 0.372 nan 8.230 nan 0.000 0.422 16 V N 3.968 123.875 119.914 -0.012 0.000 2.444 16 V HA 0.532 4.653 4.120 0.001 0.000 0.294 16 V C 0.266 176.366 176.094 0.010 0.000 1.022 16 V CA -0.311 61.987 62.300 -0.003 0.000 0.850 16 V CB 1.627 33.451 31.823 0.001 0.000 0.992 16 V HN 0.900 nan 8.190 nan 0.000 0.426 17 T N 0.647 115.202 114.554 0.001 0.000 2.922 17 T HA 0.596 4.946 4.350 0.001 0.000 0.285 17 T C 1.041 175.749 174.700 0.013 0.000 1.005 17 T CA 0.293 62.398 62.100 0.010 0.000 1.061 17 T CB 1.491 70.357 68.868 -0.002 0.000 1.007 17 T HN 1.949 nan 8.240 nan 0.000 0.502 18 G N 0.768 109.580 108.800 0.020 0.000 2.249 18 G HA2 -0.126 3.834 3.960 0.001 0.000 0.273 18 G HA3 -0.126 3.834 3.960 0.001 0.000 0.273 18 G C 0.898 175.810 174.900 0.019 0.000 1.036 18 G CA 0.143 45.255 45.100 0.019 0.000 0.824 18 G HN 1.546 nan 8.290 nan 0.000 0.504 19 A N -0.474 122.360 122.820 0.024 0.000 2.209 19 A HA 0.439 4.760 4.320 0.001 0.000 0.212 19 A C 2.453 180.046 177.584 0.016 0.000 1.158 19 A CA 1.888 53.937 52.037 0.020 0.000 0.742 19 A CB -0.244 18.775 19.000 0.032 0.000 0.790 19 A HN 1.487 nan 8.150 nan 0.000 0.472 20 G N -1.513 107.298 108.800 0.018 0.000 2.650 20 G HA2 0.291 4.252 3.960 0.001 0.000 0.214 20 G HA3 0.291 4.252 3.960 0.001 0.000 0.214 20 G C 0.509 175.413 174.900 0.008 0.000 1.136 20 G CA 0.981 46.089 45.100 0.013 0.000 0.789 20 G HN 0.562 nan 8.290 nan 0.000 0.536 21 S N -2.926 112.779 115.700 0.008 0.000 2.596 21 S HA 0.560 5.031 4.470 0.001 0.000 0.270 21 S C 0.813 175.417 174.600 0.006 0.000 1.155 21 S CA 0.656 58.860 58.200 0.005 0.000 0.827 21 S CB 0.867 64.070 63.200 0.005 0.000 1.130 21 S HN 1.349 nan 8.310 nan 0.000 0.467 22 G N 2.747 111.550 108.800 0.005 0.000 2.685 22 G HA2 -0.317 3.644 3.960 0.001 0.000 0.329 22 G HA3 -0.317 3.644 3.960 0.001 0.000 0.329 22 G C 0.974 175.879 174.900 0.009 0.000 1.271 22 G CA 0.944 46.048 45.100 0.007 0.000 1.003 22 G HN 0.930 nan 8.290 nan 0.000 0.549 23 I N 1.827 122.404 120.570 0.013 0.000 2.252 23 I HA -0.034 4.137 4.170 0.001 0.000 0.245 23 I C 3.147 179.271 176.117 0.011 0.000 1.102 23 I CA 1.637 62.946 61.300 0.015 0.000 1.385 23 I CB -0.804 37.208 38.000 0.021 0.000 1.064 23 I HN 0.588 nan 8.210 nan 0.000 0.414 24 G N 0.865 109.671 108.800 0.011 0.000 2.440 24 G HA2 -0.308 3.652 3.960 0.001 0.000 0.218 24 G HA3 -0.308 3.652 3.960 0.001 0.000 0.218 24 G C 1.771 176.672 174.900 0.002 0.000 1.154 24 G CA 0.964 46.068 45.100 0.008 0.000 0.767 24 G HN 0.313 nan 8.290 nan 0.000 0.552 25 R N 0.568 121.069 120.500 0.001 0.000 2.066 25 R HA 0.093 4.434 4.340 0.001 0.000 0.232 25 R C 2.860 179.155 176.300 -0.010 0.000 1.131 25 R CA 1.536 57.633 56.100 -0.006 0.000 0.955 25 R CB -0.506 29.792 30.300 -0.004 0.000 0.851 25 R HN 0.246 nan 8.270 nan 0.000 0.432 26 A N 0.512 123.330 122.820 -0.003 0.000 1.940 26 A HA -0.123 4.198 4.320 0.001 0.000 0.219 26 A C 2.290 179.872 177.584 -0.003 0.000 1.176 26 A CA 1.730 53.765 52.037 -0.002 0.000 0.631 26 A CB -0.625 18.378 19.000 0.005 0.000 0.814 26 A HN 0.257 nan 8.150 nan 0.000 0.446 27 V N -0.119 119.794 119.914 -0.001 0.000 2.295 27 V HA -0.232 3.889 4.120 0.001 0.000 0.246 27 V C 2.820 178.907 176.094 -0.013 0.000 1.049 27 V CA 2.358 64.657 62.300 -0.001 0.000 1.024 27 V CB -0.819 31.005 31.823 0.002 0.000 0.648 27 V HN 0.595 nan 8.190 nan 0.000 0.447 28 S N -0.079 115.608 115.700 -0.021 0.000 2.365 28 S HA -0.202 4.269 4.470 0.001 0.000 0.225 28 S C 1.990 176.550 174.600 -0.066 0.000 1.039 28 S CA 1.672 59.845 58.200 -0.045 0.000 1.033 28 S CB -0.372 62.799 63.200 -0.048 0.000 0.887 28 S HN 0.384 nan 8.310 nan 0.000 0.447 29 V N 1.677 121.561 119.914 -0.051 0.000 2.407 29 V HA -0.144 3.977 4.120 0.001 0.000 0.248 29 V C 2.517 178.594 176.094 -0.028 0.000 1.055 29 V CA 1.912 64.183 62.300 -0.049 0.000 1.049 29 V CB -0.588 31.217 31.823 -0.031 0.000 0.662 29 V HN 0.291 nan 8.190 nan 0.000 0.455 30 R N 0.216 120.708 120.500 -0.014 0.000 2.073 30 R HA -0.025 4.316 4.340 0.001 0.000 0.229 30 R C 2.095 178.397 176.300 0.003 0.000 1.120 30 R CA 1.566 57.667 56.100 0.001 0.000 0.967 30 R CB -0.561 29.745 30.300 0.009 0.000 0.862 30 R HN 0.457 nan 8.270 nan 0.000 0.436 31 L N -0.112 121.109 121.223 -0.004 0.000 2.046 31 L HA -0.073 4.267 4.340 0.001 0.000 0.208 31 L C 2.522 179.399 176.870 0.011 0.000 1.077 31 L CA 1.346 56.187 54.840 0.001 0.000 0.747 31 L CB -0.709 41.345 42.059 -0.008 0.000 0.896 31 L HN 0.324 nan 8.230 nan 0.000 0.432 32 A N 0.530 123.348 122.820 -0.004 0.000 1.908 32 A HA -0.149 4.171 4.320 0.001 0.000 0.218 32 A C 2.410 180.025 177.584 0.051 0.000 1.181 32 A CA 1.768 53.826 52.037 0.034 0.000 0.627 32 A CB -1.292 17.647 19.000 -0.101 0.000 0.818 32 A HN 0.451 nan 8.150 nan 0.000 0.445 33 G N -0.593 108.220 108.800 0.022 0.000 2.450 33 G HA2 -0.194 3.767 3.960 0.001 0.000 0.220 33 G HA3 -0.194 3.767 3.960 0.001 0.000 0.220 33 G C 1.275 176.193 174.900 0.030 0.000 1.130 33 G CA 0.860 45.976 45.100 0.026 0.000 0.760 33 G HN 0.641 nan 8.290 nan 0.000 0.557 34 E N -0.010 120.207 120.200 0.028 0.000 2.502 34 E HA 0.182 4.533 4.350 0.001 0.000 0.194 34 E C 1.764 178.381 176.600 0.028 0.000 1.062 34 E CA 0.424 56.840 56.400 0.026 0.000 0.867 34 E CB 0.132 29.846 29.700 0.024 0.000 0.888 34 E HN 0.478 nan 8.360 nan 0.000 0.510 35 G N 1.064 109.888 108.800 0.039 0.000 2.184 35 G HA2 -0.222 3.739 3.960 0.001 0.000 0.206 35 G HA3 -0.222 3.739 3.960 0.001 0.000 0.206 35 G C 0.378 175.304 174.900 0.043 0.000 0.995 35 G CA -0.067 45.057 45.100 0.040 0.000 0.651 35 G HN 0.434 nan 8.290 nan 0.000 0.511 36 A N 0.331 123.180 122.820 0.049 0.000 2.371 36 A HA 0.696 5.016 4.320 0.001 0.000 0.257 36 A C 0.673 178.317 177.584 0.101 0.000 1.089 36 A CA 0.952 53.011 52.037 0.036 0.000 0.794 36 A CB 0.407 19.414 19.000 0.012 0.000 1.029 36 A HN 0.702 nan 8.150 nan 0.000 0.488 37 T N 1.753 116.322 114.554 0.025 0.000 2.780 37 T HA 0.439 4.790 4.350 0.001 0.000 0.294 37 T C -0.173 174.557 174.700 0.050 0.000 0.949 37 T CA -0.114 62.009 62.100 0.038 0.000 1.074 37 T CB 0.635 69.424 68.868 -0.132 0.000 0.910 37 T HN 0.392 nan 8.240 nan 0.000 0.501 38 V N 3.015 123.118 119.914 0.316 0.000 2.398 38 V HA 0.610 4.730 4.120 0.001 0.000 0.286 38 V C 0.345 176.544 176.094 0.175 0.000 1.026 38 V CA -1.093 61.280 62.300 0.122 0.000 0.868 38 V CB 1.341 33.171 31.823 0.012 0.000 0.982 38 V HN 1.036 nan 8.190 nan 0.000 0.443 39 A N 4.461 127.344 122.820 0.105 0.000 2.391 39 A HA 0.747 5.067 4.320 0.001 0.000 0.316 39 A C 0.467 178.198 177.584 0.246 0.000 1.381 39 A CA -0.188 52.041 52.037 0.319 0.000 0.998 39 A CB 0.143 19.227 19.000 0.141 0.000 1.147 39 A HN 1.192 nan 8.150 nan 0.000 0.545 40 A N 2.246 125.241 122.820 0.291 0.000 2.260 40 A HA 0.514 4.834 4.320 0.001 0.000 0.312 40 A C -0.028 177.689 177.584 0.222 0.000 1.321 40 A CA -0.332 51.808 52.037 0.172 0.000 0.928 40 A CB -0.160 18.900 19.000 0.099 0.000 1.158 40 A HN 1.280 nan 8.150 nan 0.000 0.542 41 C N 3.159 122.554 119.300 0.158 0.000 2.382 41 C HA 0.815 5.276 4.460 0.001 0.000 0.327 41 C C -0.786 174.256 174.990 0.086 0.000 1.250 41 C CA -0.342 58.768 59.018 0.153 0.000 1.707 41 C CB 0.550 28.350 27.740 0.101 0.000 2.272 41 C HN 0.923 nan 8.230 nan 0.000 0.506 42 D N 2.903 123.351 120.400 0.080 0.000 2.609 42 D HA 0.157 4.798 4.640 0.001 0.000 0.239 42 D C 0.379 176.706 176.300 0.046 0.000 1.229 42 D CA -0.548 53.481 54.000 0.050 0.000 0.808 42 D CB 1.918 42.741 40.800 0.038 0.000 1.448 42 D HN 0.531 nan 8.370 nan 0.000 0.433 43 L N 1.801 123.044 121.223 0.033 0.000 2.127 43 L HA -0.032 4.308 4.340 0.001 0.000 0.211 43 L C 0.445 177.331 176.870 0.026 0.000 1.089 43 L CA 1.843 56.700 54.840 0.028 0.000 0.757 43 L CB -0.174 41.897 42.059 0.020 0.000 0.899 43 L HN 0.339 nan 8.230 nan 0.000 0.434 44 D N -0.896 119.518 120.400 0.023 0.000 2.412 44 D HA 0.094 4.734 4.640 0.001 0.000 0.224 44 D C 1.247 177.558 176.300 0.019 0.000 1.093 44 D CA -0.215 53.795 54.000 0.017 0.000 0.850 44 D CB 0.992 41.799 40.800 0.012 0.000 1.046 44 D HN 0.135 nan 8.370 nan 0.000 0.507 45 R N 3.214 123.724 120.500 0.016 0.000 2.081 45 R HA -0.143 4.198 4.340 0.001 0.000 0.235 45 R C 1.654 177.956 176.300 0.003 0.000 1.131 45 R CA 1.552 57.659 56.100 0.012 0.000 0.960 45 R CB -0.043 30.260 30.300 0.005 0.000 0.856 45 R HN 0.477 nan 8.270 nan 0.000 0.436 46 A N 0.412 123.233 122.820 0.001 0.000 2.019 46 A HA -0.058 4.262 4.320 0.001 0.000 0.219 46 A C 2.231 179.815 177.584 0.001 0.000 1.164 46 A CA 1.505 53.541 52.037 -0.002 0.000 0.644 46 A CB -0.493 18.506 19.000 -0.002 0.000 0.805 46 A HN 0.542 nan 8.150 nan 0.000 0.449 47 A N -0.180 122.644 122.820 0.005 0.000 1.897 47 A HA 0.275 4.596 4.320 0.001 0.000 0.215 47 A C 2.474 180.063 177.584 0.009 0.000 1.181 47 A CA 1.650 53.691 52.037 0.007 0.000 0.620 47 A CB -0.908 18.097 19.000 0.009 0.000 0.821 47 A HN 0.948 nan 8.150 nan 0.000 0.443 48 A N -0.406 122.424 122.820 0.016 0.000 1.877 48 A HA -0.233 4.088 4.320 0.001 0.000 0.216 48 A C 2.125 179.715 177.584 0.010 0.000 1.186 48 A CA 1.768 53.819 52.037 0.024 0.000 0.620 48 A CB -0.617 18.408 19.000 0.042 0.000 0.822 48 A HN 0.636 nan 8.150 nan 0.000 0.443 49 Q N -0.960 118.838 119.800 -0.003 0.000 2.084 49 Q HA -0.204 4.137 4.340 0.001 0.000 0.202 49 Q C 2.132 178.129 176.000 -0.004 0.000 0.978 49 Q CA 1.586 57.383 55.803 -0.010 0.000 0.844 49 Q CB -0.167 28.560 28.738 -0.018 0.000 0.898 49 Q HN 0.850 nan 8.270 nan 0.000 0.426 50 E N -0.019 120.179 120.200 -0.003 0.000 2.058 50 E HA -0.192 4.159 4.350 0.001 0.000 0.194 50 E C 1.748 178.344 176.600 -0.006 0.000 0.997 50 E CA 1.633 58.031 56.400 -0.003 0.000 0.801 50 E CB 0.129 29.828 29.700 -0.003 0.000 0.746 50 E HN 0.256 nan 8.360 nan 0.000 0.450 51 T N 0.340 114.891 114.554 -0.006 0.000 2.720 51 T HA -0.162 4.189 4.350 0.001 0.000 0.268 51 T C 1.889 176.571 174.700 -0.031 0.000 1.037 51 T CA 1.415 63.505 62.100 -0.016 0.000 1.144 51 T CB -0.255 68.606 68.868 -0.011 0.000 0.864 51 T HN 0.036 nan 8.240 nan 0.000 0.444 52 V N 1.699 121.604 119.914 -0.016 0.000 2.407 52 V HA -0.168 3.953 4.120 0.001 0.000 0.248 52 V C 2.681 178.777 176.094 0.002 0.000 1.055 52 V CA 1.468 63.762 62.300 -0.010 0.000 1.049 52 V CB -0.514 31.329 31.823 0.034 0.000 0.662 52 V HN 0.335 nan 8.190 nan 0.000 0.455 53 R N -0.065 120.438 120.500 0.005 0.000 2.152 53 R HA -0.026 4.314 4.340 0.001 0.000 0.232 53 R C 2.008 178.311 176.300 0.004 0.000 1.117 53 R CA 1.125 57.232 56.100 0.011 0.000 0.981 53 R CB -0.781 29.522 30.300 0.005 0.000 0.870 53 R HN 0.454 nan 8.270 nan 0.000 0.451 54 L N 0.637 121.852 121.223 -0.012 0.000 2.554 54 L HA 0.074 4.415 4.340 0.001 0.000 0.226 54 L C 1.030 177.882 176.870 -0.031 0.000 1.137 54 L CA 0.153 54.982 54.840 -0.017 0.000 0.863 54 L CB -0.188 41.859 42.059 -0.021 0.000 0.985 54 L HN -0.033 nan 8.230 nan 0.000 0.451 69 H N 0.775 119.947 119.070 0.171 0.000 2.852 69 H HA 0.402 4.958 4.556 0.001 0.000 0.362 69 H C -0.003 175.441 175.328 0.194 0.000 1.122 69 H CA 0.352 56.515 56.048 0.192 0.000 1.419 69 H CB 0.777 30.601 29.762 0.103 0.000 1.401 69 H HN 0.649 nan 8.280 nan 0.000 0.609 70 A N 0.693 123.746 122.820 0.389 0.000 2.572 70 A HA 0.666 4.987 4.320 0.001 0.000 0.295 70 A C -0.918 176.685 177.584 0.032 0.000 1.072 70 A CA -0.225 51.892 52.037 0.133 0.000 0.691 70 A CB 1.544 20.559 19.000 0.024 0.000 1.291 70 A HN 0.809 nan 8.150 nan 0.000 0.404 71 A N 0.670 123.352 122.820 -0.230 0.000 2.324 71 A HA 0.875 5.195 4.320 0.001 0.000 0.330 71 A C -1.152 176.123 177.584 -0.516 0.000 1.165 71 A CA -0.278 51.655 52.037 -0.173 0.000 0.813 71 A CB 0.238 19.183 19.000 -0.092 0.000 1.197 71 A HN 0.817 nan 8.150 nan 0.000 0.484 72 F N 0.563 120.542 119.950 0.049 0.000 2.565 72 F HA 0.427 4.955 4.527 0.001 0.000 0.313 72 F C 0.272 176.087 175.800 0.024 0.000 1.091 72 F CA -0.489 57.534 58.000 0.038 0.000 0.915 72 F CB 2.210 41.240 39.000 0.050 0.000 1.208 72 F HN 0.527 nan 8.300 nan 0.000 0.453 73 Q N 2.382 122.287 119.800 0.175 0.000 2.241 73 Q HA 0.823 5.163 4.340 0.001 0.000 0.254 73 Q C -1.436 174.629 176.000 0.108 0.000 0.917 73 Q CA -0.495 55.373 55.803 0.108 0.000 0.919 73 Q CB 1.904 30.678 28.738 0.060 0.000 1.237 73 Q HN 0.893 nan 8.270 nan 0.000 0.434 74 A N 3.455 126.321 122.820 0.077 0.000 2.577 74 A HA 0.306 4.627 4.320 0.001 0.000 0.297 74 A C -1.634 175.971 177.584 0.035 0.000 1.060 74 A CA -0.731 51.338 52.037 0.052 0.000 0.697 74 A CB 1.430 20.457 19.000 0.045 0.000 1.281 74 A HN 0.651 nan 8.150 nan 0.000 0.402 75 D N 2.365 122.781 120.400 0.026 0.000 2.396 75 D HA 0.308 4.949 4.640 0.001 0.000 0.225 75 D C 1.394 177.703 176.300 0.014 0.000 1.121 75 D CA 0.232 54.244 54.000 0.020 0.000 0.853 75 D CB 1.377 42.188 40.800 0.019 0.000 1.043 75 D HN 0.706 nan 8.370 nan 0.000 0.500 76 V N 2.170 122.090 119.914 0.010 0.000 3.141 76 V HA -0.114 4.007 4.120 0.001 0.000 0.265 76 V C 1.797 177.896 176.094 0.009 0.000 1.126 76 V CA 1.599 63.901 62.300 0.002 0.000 1.141 76 V CB -0.885 30.936 31.823 -0.004 0.000 0.743 76 V HN 0.501 nan 8.190 nan 0.000 0.492 77 S N 0.048 115.757 115.700 0.015 0.000 2.515 77 S HA 0.009 4.479 4.470 0.001 0.000 0.231 77 S C 0.702 175.320 174.600 0.030 0.000 0.987 77 S CA 0.272 58.487 58.200 0.024 0.000 0.936 77 S CB -0.663 62.547 63.200 0.016 0.000 0.766 77 S HN 0.817 nan 8.310 nan 0.000 0.528 78 E N 0.873 121.086 120.200 0.023 0.000 2.167 78 E HA 0.556 4.907 4.350 0.001 0.000 0.284 78 E C 0.942 177.554 176.600 0.020 0.000 1.016 78 E CA -0.032 56.383 56.400 0.023 0.000 0.817 78 E CB 1.376 31.088 29.700 0.019 0.000 1.080 78 E HN 0.339 nan 8.360 nan 0.000 0.397 79 A N 4.365 127.203 122.820 0.029 0.000 1.908 79 A HA -0.247 4.073 4.320 0.001 0.000 0.218 79 A C 2.066 179.652 177.584 0.003 0.000 1.181 79 A CA 1.532 53.581 52.037 0.021 0.000 0.627 79 A CB -0.223 18.802 19.000 0.041 0.000 0.818 79 A HN 0.635 nan 8.150 nan 0.000 0.445 80 R N -0.613 119.893 120.500 0.009 0.000 2.075 80 R HA -0.075 4.266 4.340 0.001 0.000 0.232 80 R C 2.312 178.612 176.300 -0.000 0.000 1.126 80 R CA 1.310 57.412 56.100 0.004 0.000 0.963 80 R CB -0.345 29.961 30.300 0.009 0.000 0.858 80 R HN 0.469 nan 8.270 nan 0.000 0.435 81 A N 0.561 123.383 122.820 0.004 0.000 1.930 81 A HA -0.039 4.282 4.320 0.001 0.000 0.217 81 A C 2.288 179.866 177.584 -0.010 0.000 1.175 81 A CA 1.446 53.486 52.037 0.004 0.000 0.627 81 A CB -0.553 18.454 19.000 0.012 0.000 0.815 81 A HN 0.496 nan 8.150 nan 0.000 0.443 82 A N -0.380 122.427 122.820 -0.021 0.000 1.902 82 A HA -0.126 4.194 4.320 0.001 0.000 0.217 82 A C 2.364 179.912 177.584 -0.058 0.000 1.181 82 A CA 2.114 54.123 52.037 -0.045 0.000 0.623 82 A CB -0.660 18.304 19.000 -0.061 0.000 0.818 82 A HN 0.480 nan 8.150 nan 0.000 0.443 83 R N -0.797 119.674 120.500 -0.049 0.000 2.066 83 R HA -0.139 4.201 4.340 0.001 0.000 0.232 83 R C 2.382 178.658 176.300 -0.041 0.000 1.131 83 R CA 1.794 57.864 56.100 -0.050 0.000 0.955 83 R CB -1.903 28.374 30.300 -0.037 0.000 0.851 83 R HN 0.828 nan 8.270 nan 0.000 0.432 84 C N 0.437 119.722 119.300 -0.024 0.000 2.429 84 C HA -0.001 4.460 4.460 0.001 0.000 0.277 84 C C 2.669 177.646 174.990 -0.021 0.000 1.262 84 C CA 1.139 60.150 59.018 -0.011 0.000 1.733 84 C CB -1.477 26.267 27.740 0.006 0.000 2.010 84 C HN 0.719 nan 8.230 nan 0.000 0.483 85 L N 0.797 121.998 121.223 -0.036 0.000 1.990 85 L HA -0.111 4.229 4.340 0.001 0.000 0.213 85 L C 2.331 179.109 176.870 -0.153 0.000 1.072 85 L CA 2.100 56.889 54.840 -0.084 0.000 0.755 85 L CB -0.919 41.089 42.059 -0.085 0.000 0.889 85 L HN 0.264 nan 8.230 nan 0.000 0.432 86 L N -0.365 120.787 121.223 -0.119 0.000 2.046 86 L HA -0.198 4.143 4.340 0.001 0.000 0.208 86 L C 2.602 179.419 176.870 -0.088 0.000 1.077 86 L CA 1.837 56.606 54.840 -0.119 0.000 0.747 86 L CB -1.266 40.734 42.059 -0.097 0.000 0.896 86 L HN 0.493 nan 8.230 nan 0.000 0.432 87 E N -0.671 119.493 120.200 -0.059 0.000 2.110 87 E HA -0.244 4.106 4.350 0.001 0.000 0.193 87 E C 2.108 178.699 176.600 -0.016 0.000 0.988 87 E CA 0.940 57.322 56.400 -0.030 0.000 0.804 87 E CB -0.051 29.639 29.700 -0.018 0.000 0.745 87 E HN 0.599 nan 8.360 nan 0.000 0.458 88 Q N 0.425 120.214 119.800 -0.019 0.000 2.050 88 Q HA -0.131 4.209 4.340 0.001 0.000 0.202 88 Q C 2.456 178.473 176.000 0.028 0.000 0.980 88 Q CA 1.277 57.108 55.803 0.046 0.000 0.840 88 Q CB -0.033 28.781 28.738 0.127 0.000 0.898 88 Q HN 0.142 nan 8.270 nan 0.000 0.424 89 V N 1.244 121.039 119.914 -0.198 0.000 2.287 89 V HA -0.313 3.808 4.120 0.001 0.000 0.248 89 V C 2.172 178.347 176.094 0.135 0.000 1.053 89 V CA 1.978 64.198 62.300 -0.134 0.000 1.027 89 V CB -0.599 31.052 31.823 -0.287 0.000 0.646 89 V HN 0.397 nan 8.190 nan 0.000 0.447 90 Q N -0.433 119.392 119.800 0.043 0.000 2.124 90 Q HA -0.176 4.164 4.340 0.001 0.000 0.202 90 Q C 2.417 178.456 176.000 0.065 0.000 0.977 90 Q CA 1.723 57.564 55.803 0.062 0.000 0.850 90 Q CB -0.390 28.356 28.738 0.014 0.000 0.901 90 Q HN 0.696 nan 8.270 nan 0.000 0.429 91 A N 0.274 123.119 122.820 0.042 0.000 1.898 91 A HA -0.212 4.109 4.320 0.001 0.000 0.216 91 A C 2.296 179.875 177.584 -0.007 0.000 1.181 91 A CA 1.407 53.457 52.037 0.022 0.000 0.620 91 A CB -1.158 17.857 19.000 0.024 0.000 0.819 91 A HN 0.579 nan 8.150 nan 0.000 0.442 92 C N -1.834 117.451 119.300 -0.024 0.000 2.446 92 C HA 0.042 4.503 4.460 0.001 0.000 0.277 92 C C 2.153 176.910 174.990 -0.389 0.000 1.275 92 C CA 1.097 59.980 59.018 -0.226 0.000 1.727 92 C CB -1.296 26.300 27.740 -0.240 0.000 2.010 92 C HN 0.538 nan 8.230 nan 0.000 0.486 93 F N 0.852 120.840 119.950 0.063 0.000 2.721 93 F HA 0.259 4.787 4.527 0.001 0.000 0.301 93 F C 1.735 177.545 175.800 0.017 0.000 1.096 93 F CA 0.796 58.819 58.000 0.039 0.000 1.308 93 F CB -0.265 38.758 39.000 0.038 0.000 1.086 93 F HN 0.108 nan 8.300 nan 0.000 0.587 94 S N 0.583 116.365 115.700 0.136 0.000 3.490 94 S HA -0.242 4.228 4.470 0.001 0.000 0.301 94 S C 0.119 174.767 174.600 0.080 0.000 1.233 94 S CA 1.086 59.335 58.200 0.082 0.000 0.914 94 S CB -1.641 61.593 63.200 0.057 0.000 1.047 94 S HN 0.764 nan 8.310 nan 0.000 0.602 95 R N -1.525 119.036 120.500 0.102 0.000 2.728 95 R HA 0.662 5.002 4.340 0.001 0.000 0.274 95 R C -3.722 172.602 176.300 0.039 0.000 1.032 95 R CA -1.921 54.212 56.100 0.055 0.000 0.866 95 R CB 0.625 30.951 30.300 0.044 0.000 1.263 95 R HN 0.041 nan 8.270 nan 0.000 0.475 96 P HA 0.312 nan 4.420 nan 0.000 0.279 96 P C -2.563 174.703 177.300 -0.057 0.000 1.252 96 P CA -1.883 61.200 63.100 -0.029 0.000 0.811 96 P CB 0.543 32.219 31.700 -0.039 0.000 1.035 97 P HA 0.050 nan 4.420 nan 0.000 0.276 97 P C 0.678 177.928 177.300 -0.083 0.000 1.235 97 P CA 0.079 63.113 63.100 -0.110 0.000 0.772 97 P CB 0.376 32.002 31.700 -0.125 0.000 0.871 98 S N 1.431 117.084 115.700 -0.079 0.000 2.524 98 S HA 0.130 4.601 4.470 0.001 0.000 0.216 98 S C 0.610 175.174 174.600 -0.059 0.000 0.987 98 S CA 0.005 58.169 58.200 -0.061 0.000 0.909 98 S CB -0.080 63.089 63.200 -0.052 0.000 0.781 98 S HN 0.271 nan 8.310 nan 0.000 0.521 99 V N 1.955 121.829 119.914 -0.067 0.000 2.483 99 V HA 0.578 4.698 4.120 0.001 0.000 0.297 99 V C -0.935 175.122 176.094 -0.063 0.000 1.027 99 V CA -0.673 61.591 62.300 -0.059 0.000 0.855 99 V CB 1.786 33.577 31.823 -0.053 0.000 0.995 99 V HN 0.219 nan 8.190 nan 0.000 0.424 100 V N 5.396 125.276 119.914 -0.056 0.000 2.531 100 V HA 0.581 4.702 4.120 0.001 0.000 0.301 100 V C -0.595 175.474 176.094 -0.043 0.000 1.034 100 V CA -0.615 61.652 62.300 -0.056 0.000 0.865 100 V CB 2.185 33.969 31.823 -0.064 0.000 0.995 100 V HN 0.601 nan 8.190 nan 0.000 0.424 101 V N 2.836 122.729 119.914 -0.036 0.000 2.443 101 V HA 0.418 4.538 4.120 0.001 0.000 0.293 101 V C 0.167 176.249 176.094 -0.020 0.000 1.021 101 V CA -0.390 61.896 62.300 -0.024 0.000 0.848 101 V CB 1.770 33.584 31.823 -0.016 0.000 0.998 101 V HN 0.814 nan 8.190 nan 0.000 0.424 102 S N 2.896 118.584 115.700 -0.019 0.000 2.409 102 S HA 0.215 4.686 4.470 0.001 0.000 0.308 102 S C 0.611 175.207 174.600 -0.007 0.000 1.080 102 S CA -0.437 57.753 58.200 -0.016 0.000 1.081 102 S CB 0.222 63.410 63.200 -0.020 0.000 1.009 102 S HN 0.912 nan 8.310 nan 0.000 0.502 103 C N 2.233 121.533 119.300 -0.001 0.000 3.183 103 C HA 0.473 4.934 4.460 0.001 0.000 0.285 103 C C 1.418 176.417 174.990 0.014 0.000 1.313 103 C CA -0.896 58.127 59.018 0.008 0.000 1.711 103 C CB -1.485 26.261 27.740 0.011 0.000 2.135 103 C HN 0.851 nan 8.230 nan 0.000 0.651 104 A N 1.248 124.074 122.820 0.010 0.000 2.454 104 A HA 0.580 4.901 4.320 0.001 0.000 0.260 104 A C 0.504 178.098 177.584 0.016 0.000 1.106 104 A CA 0.904 52.949 52.037 0.014 0.000 0.780 104 A CB -0.286 18.720 19.000 0.010 0.000 1.044 104 A HN 0.753 nan 8.150 nan 0.000 0.498 105 G N 0.925 109.742 108.800 0.029 0.000 2.667 105 G HA2 0.609 4.569 3.960 0.001 0.000 0.294 105 G HA3 0.609 4.569 3.960 0.001 0.000 0.294 105 G C -0.965 173.974 174.900 0.064 0.000 1.467 105 G CA -0.022 45.108 45.100 0.050 0.000 0.852 105 G HN 1.581 nan 8.290 nan 0.000 0.521 106 I N -1.800 118.824 120.570 0.090 0.000 3.195 106 I HA 0.936 5.107 4.170 0.001 0.000 0.313 106 I C -0.293 175.881 176.117 0.096 0.000 1.237 106 I CA -1.117 60.221 61.300 0.064 0.000 0.963 106 I CB 2.450 40.465 38.000 0.025 0.000 1.278 106 I HN 0.704 nan 8.210 nan 0.000 0.460 107 T N -0.113 114.431 114.554 -0.016 0.000 2.908 107 T HA 0.591 4.942 4.350 0.001 0.000 0.290 107 T C -0.730 173.936 174.700 -0.057 0.000 1.034 107 T CA -0.583 61.467 62.100 -0.083 0.000 1.010 107 T CB 1.930 70.620 68.868 -0.297 0.000 1.068 107 T HN 0.852 nan 8.240 nan 0.000 0.481 108 Q N 1.374 121.147 119.800 -0.045 0.000 3.255 108 Q HA 0.238 4.579 4.340 0.001 0.000 0.231 108 Q C -1.457 174.519 176.000 -0.040 0.000 0.935 108 Q CA -0.564 55.218 55.803 -0.036 0.000 0.714 108 Q CB 0.588 29.320 28.738 -0.009 0.000 1.345 108 Q HN 0.696 nan 8.270 nan 0.000 0.463 109 D N 2.194 122.544 120.400 -0.083 0.000 2.389 109 D HA 0.237 4.877 4.640 0.001 0.000 0.247 109 D C -0.139 176.092 176.300 -0.114 0.000 1.128 109 D CA 0.588 54.522 54.000 -0.111 0.000 0.884 109 D CB 1.381 42.081 40.800 -0.167 0.000 1.194 109 D HN 0.391 nan 8.370 nan 0.000 0.441 110 E N 0.713 120.842 120.200 -0.118 0.000 2.388 110 E HA 0.276 4.626 4.350 0.001 0.000 0.280 110 E C -1.604 174.939 176.600 -0.095 0.000 1.019 110 E CA -0.664 55.665 56.400 -0.118 0.000 0.806 110 E CB 0.529 30.247 29.700 0.030 0.000 1.246 110 E HN 0.044 nan 8.360 nan 0.000 0.443 111 F N 3.017 123.034 119.950 0.112 0.000 2.506 111 F HA 0.119 4.646 4.527 0.000 0.000 0.351 111 F C 1.717 177.555 175.800 0.064 0.000 1.136 111 F CA -0.121 57.937 58.000 0.096 0.000 1.298 111 F CB 0.270 39.348 39.000 0.130 0.000 1.145 111 F HN 0.603 nan 8.300 nan 0.000 0.593 112 L N 3.076 124.444 121.223 0.242 0.000 2.043 112 L HA -0.210 4.130 4.340 0.001 0.000 0.212 112 L C 1.839 178.721 176.870 0.020 0.000 1.075 112 L CA 1.793 56.703 54.840 0.116 0.000 0.752 112 L CB -0.756 41.353 42.059 0.083 0.000 0.891 112 L HN 0.685 nan 8.230 nan 0.000 0.432 113 L N -1.221 119.954 121.223 -0.080 0.000 2.261 113 L HA -0.229 4.112 4.340 0.001 0.000 0.216 113 L C 1.401 178.024 176.870 -0.412 0.000 1.114 113 L CA 1.372 56.029 54.840 -0.305 0.000 0.777 113 L CB -0.569 41.193 42.059 -0.496 0.000 0.910 113 L HN 0.504 nan 8.230 nan 0.000 0.440 114 H N -2.981 116.159 119.070 0.116 0.000 3.058 114 H HA 0.224 4.781 4.556 0.001 0.000 0.266 114 H C 0.470 175.852 175.328 0.089 0.000 1.135 114 H CA -0.457 55.651 56.048 0.100 0.000 1.174 114 H CB 0.532 30.370 29.762 0.128 0.000 1.581 114 H HN 0.108 nan 8.280 nan 0.000 0.553 115 M N 2.974 122.673 119.600 0.165 0.000 2.268 115 M HA 0.063 4.544 4.480 0.001 0.000 0.349 115 M C 0.365 176.741 176.300 0.126 0.000 1.485 115 M CA -0.216 55.174 55.300 0.150 0.000 1.094 115 M CB 0.326 33.025 32.600 0.165 0.000 1.843 115 M HN 0.255 nan 8.290 nan 0.000 0.460 116 S N 2.859 118.633 115.700 0.123 0.000 2.614 116 S HA 0.111 4.581 4.470 0.001 0.000 0.265 116 S C 0.814 175.491 174.600 0.128 0.000 1.303 116 S CA -0.450 57.813 58.200 0.104 0.000 1.000 116 S CB 1.239 64.490 63.200 0.086 0.000 0.935 116 S HN 0.899 nan 8.310 nan 0.000 0.551 117 E N 0.397 120.658 120.200 0.102 0.000 2.110 117 E HA -0.239 4.111 4.350 0.001 0.000 0.193 117 E C 1.364 178.064 176.600 0.167 0.000 0.988 117 E CA 1.629 58.106 56.400 0.129 0.000 0.804 117 E CB -0.257 29.491 29.700 0.080 0.000 0.745 117 E HN 0.884 nan 8.360 nan 0.000 0.458 118 D N 0.382 120.852 120.400 0.116 0.000 2.117 118 D HA -0.181 4.460 4.640 0.001 0.000 0.198 118 D C 1.460 177.820 176.300 0.101 0.000 0.982 118 D CA 1.483 55.540 54.000 0.096 0.000 0.828 118 D CB -0.075 40.763 40.800 0.064 0.000 0.967 118 D HN 0.128 nan 8.370 nan 0.000 0.464 119 D N -0.140 120.328 120.400 0.114 0.000 2.116 119 D HA -0.197 4.443 4.640 0.001 0.000 0.193 119 D C 1.746 178.122 176.300 0.126 0.000 0.998 119 D CA 0.795 54.860 54.000 0.107 0.000 0.836 119 D CB -0.621 40.253 40.800 0.123 0.000 0.951 119 D HN 0.491 nan 8.370 nan 0.000 0.449 120 W N 1.833 123.149 121.300 0.028 0.000 2.408 120 W HA -0.135 4.526 4.660 0.000 0.000 0.311 120 W C 1.386 177.920 176.519 0.025 0.000 1.190 120 W CA 1.064 58.426 57.345 0.027 0.000 1.321 120 W CB -0.198 29.275 29.460 0.023 0.000 1.143 120 W HN -0.115 nan 8.180 nan 0.000 0.501 121 D N 0.436 120.931 120.400 0.159 0.000 2.097 121 D HA -0.171 4.469 4.640 0.001 0.000 0.195 121 D C 2.231 178.502 176.300 -0.049 0.000 0.989 121 D CA 2.125 56.170 54.000 0.074 0.000 0.827 121 D CB -0.582 40.309 40.800 0.151 0.000 0.966 121 D HN 0.002 nan 8.370 nan 0.000 0.456 122 K N 0.423 120.810 120.400 -0.021 0.000 2.063 122 K HA -0.085 4.235 4.320 0.001 0.000 0.208 122 K C 2.236 178.791 176.600 -0.075 0.000 1.048 122 K CA 0.837 57.106 56.287 -0.030 0.000 0.928 122 K CB -0.853 31.643 32.500 -0.006 0.000 0.713 122 K HN 0.086 nan 8.250 nan 0.000 0.442 123 V N 1.215 121.053 119.914 -0.126 0.000 2.427 123 V HA -0.154 3.966 4.120 0.001 0.000 0.248 123 V C 2.409 178.376 176.094 -0.213 0.000 1.051 123 V CA 1.704 63.920 62.300 -0.140 0.000 1.048 123 V CB -0.401 31.344 31.823 -0.131 0.000 0.666 123 V HN 0.410 nan 8.190 nan 0.000 0.456 124 I N 0.529 120.887 120.570 -0.354 0.000 2.252 124 I HA -0.181 3.989 4.170 0.001 0.000 0.245 124 I C 2.669 178.693 176.117 -0.155 0.000 1.102 124 I CA 1.867 62.968 61.300 -0.332 0.000 1.385 124 I CB -1.446 36.279 38.000 -0.457 0.000 1.064 124 I HN 0.312 nan 8.210 nan 0.000 0.414 125 A N 0.590 123.347 122.820 -0.104 0.000 1.873 125 A HA -0.120 4.201 4.320 0.001 0.000 0.215 125 A C 2.517 180.087 177.584 -0.025 0.000 1.186 125 A CA 1.776 53.790 52.037 -0.038 0.000 0.616 125 A CB -0.866 18.125 19.000 -0.015 0.000 0.823 125 A HN 0.227 nan 8.150 nan 0.000 0.442 126 V N 0.741 120.634 119.914 -0.034 0.000 2.283 126 V HA -0.196 3.925 4.120 0.001 0.000 0.243 126 V C 2.219 178.298 176.094 -0.024 0.000 1.039 126 V CA 2.143 64.433 62.300 -0.018 0.000 1.016 126 V CB -0.994 30.823 31.823 -0.010 0.000 0.650 126 V HN 0.531 nan 8.190 nan 0.000 0.449 127 N N -0.268 118.402 118.700 -0.050 0.000 2.250 127 N HA -0.038 4.702 4.740 0.001 0.000 0.181 127 N C 1.435 176.906 175.510 -0.066 0.000 1.017 127 N CA 1.001 54.013 53.050 -0.064 0.000 0.866 127 N CB -0.173 38.248 38.487 -0.111 0.000 0.985 127 N HN 0.356 nan 8.380 nan 0.000 0.429 128 L N 0.807 121.988 121.223 -0.070 0.000 2.276 128 L HA 0.220 4.560 4.340 0.001 0.000 0.194 128 L C 1.973 178.860 176.870 0.028 0.000 1.099 128 L CA 1.397 56.211 54.840 -0.045 0.000 0.800 128 L CB -0.837 41.171 42.059 -0.086 0.000 0.994 128 L HN -0.121 nan 8.230 nan 0.000 0.475 129 K N -0.531 119.886 120.400 0.028 0.000 2.074 129 K HA -0.162 4.158 4.320 0.001 0.000 0.209 129 K C 1.887 178.575 176.600 0.147 0.000 1.048 129 K CA 1.671 58.025 56.287 0.112 0.000 0.926 129 K CB -0.663 31.878 32.500 0.070 0.000 0.713 129 K HN 0.518 nan 8.250 nan 0.000 0.444 130 G N -0.069 108.769 108.800 0.063 0.000 2.459 130 G HA2 -0.263 3.697 3.960 0.001 0.000 0.217 130 G HA3 -0.263 3.697 3.960 0.001 0.000 0.217 130 G C 1.430 176.344 174.900 0.025 0.000 1.183 130 G CA 1.505 46.626 45.100 0.035 0.000 0.776 130 G HN 0.358 nan 8.290 nan 0.000 0.552 131 T N 0.944 115.515 114.554 0.029 0.000 2.720 131 T HA -0.165 4.185 4.350 0.001 0.000 0.268 131 T C 1.922 176.648 174.700 0.043 0.000 1.037 131 T CA 1.309 63.421 62.100 0.019 0.000 1.144 131 T CB -0.335 68.540 68.868 0.011 0.000 0.864 131 T HN 0.274 nan 8.240 nan 0.000 0.444 132 F N 1.994 121.924 119.950 -0.033 0.000 2.065 132 F HA -0.116 4.412 4.527 0.001 0.000 0.298 132 F C 1.915 177.701 175.800 -0.024 0.000 1.112 132 F CA 1.305 59.289 58.000 -0.027 0.000 1.212 132 F CB -0.670 38.316 39.000 -0.023 0.000 0.975 132 F HN 0.054 nan 8.300 nan 0.000 0.476 133 L N -0.504 120.581 121.223 -0.231 0.000 2.083 133 L HA -0.203 4.138 4.340 0.001 0.000 0.209 133 L C 2.358 179.060 176.870 -0.278 0.000 1.083 133 L CA 0.956 55.581 54.840 -0.358 0.000 0.752 133 L CB -0.783 41.221 42.059 -0.092 0.000 0.899 133 L HN 0.090 nan 8.230 nan 0.000 0.433 134 V N -0.844 118.970 119.914 -0.166 0.000 2.379 134 V HA -0.236 3.885 4.120 0.001 0.000 0.245 134 V C 2.534 178.539 176.094 -0.148 0.000 1.044 134 V CA 2.174 64.395 62.300 -0.131 0.000 1.036 134 V CB -0.633 31.142 31.823 -0.080 0.000 0.664 134 V HN 0.452 nan 8.190 nan 0.000 0.453 135 T N -0.401 114.064 114.554 -0.150 0.000 2.684 135 T HA -0.323 4.028 4.350 0.001 0.000 0.267 135 T C 1.893 176.487 174.700 -0.177 0.000 1.036 135 T CA 2.159 64.181 62.100 -0.129 0.000 1.148 135 T CB -0.252 68.566 68.868 -0.083 0.000 0.863 135 T HN 0.569 nan 8.240 nan 0.000 0.436 136 Q N 0.613 120.228 119.800 -0.309 0.000 2.020 136 Q HA -0.098 4.242 4.340 0.001 0.000 0.202 136 Q C 2.518 178.385 176.000 -0.221 0.000 0.982 136 Q CA 1.569 57.179 55.803 -0.322 0.000 0.838 136 Q CB -0.326 28.054 28.738 -0.596 0.000 0.899 136 Q HN 0.528 nan 8.270 nan 0.000 0.423 137 A N 0.648 123.338 122.820 -0.216 0.000 1.972 137 A HA -0.071 4.249 4.320 0.001 0.000 0.219 137 A C 2.244 179.754 177.584 -0.124 0.000 1.169 137 A CA 1.574 53.520 52.037 -0.151 0.000 0.635 137 A CB -0.833 18.086 19.000 -0.135 0.000 0.810 137 A HN 0.572 nan 8.150 nan 0.000 0.446 138 A N -0.093 122.653 122.820 -0.123 0.000 1.898 138 A HA 0.190 4.510 4.320 0.001 0.000 0.216 138 A C 2.498 180.026 177.584 -0.095 0.000 1.181 138 A CA 1.977 53.953 52.037 -0.102 0.000 0.620 138 A CB -0.969 17.974 19.000 -0.094 0.000 0.819 138 A HN 0.995 nan 8.150 nan 0.000 0.442 139 A N -0.704 122.055 122.820 -0.101 0.000 1.898 139 A HA -0.194 4.126 4.320 0.001 0.000 0.216 139 A C 2.120 179.635 177.584 -0.116 0.000 1.181 139 A CA 1.631 53.610 52.037 -0.096 0.000 0.620 139 A CB -0.613 18.335 19.000 -0.087 0.000 0.819 139 A HN 0.637 nan 8.150 nan 0.000 0.442 140 Q N -0.575 119.156 119.800 -0.115 0.000 2.061 140 Q HA -0.180 4.161 4.340 0.001 0.000 0.204 140 Q C 2.420 178.363 176.000 -0.096 0.000 0.984 140 Q CA 1.662 57.400 55.803 -0.109 0.000 0.846 140 Q CB -0.422 28.258 28.738 -0.096 0.000 0.902 140 Q HN 0.690 nan 8.270 nan 0.000 0.421 141 A N 0.532 123.300 122.820 -0.085 0.000 1.933 141 A HA -0.143 4.177 4.320 0.001 0.000 0.218 141 A C 2.047 179.591 177.584 -0.066 0.000 1.175 141 A CA 1.049 53.045 52.037 -0.069 0.000 0.628 141 A CB -0.555 18.405 19.000 -0.067 0.000 0.814 141 A HN 0.270 nan 8.150 nan 0.000 0.444 142 L N -0.800 120.379 121.223 -0.074 0.000 2.005 142 L HA -0.133 4.207 4.340 0.001 0.000 0.207 142 L C 2.551 179.377 176.870 -0.075 0.000 1.072 142 L CA 1.079 55.880 54.840 -0.064 0.000 0.744 142 L CB -0.532 41.492 42.059 -0.059 0.000 0.895 142 L HN 0.229 nan 8.230 nan 0.000 0.433 143 V N -0.076 119.765 119.914 -0.121 0.000 2.332 143 V HA -0.283 3.838 4.120 0.001 0.000 0.248 143 V C 2.662 178.689 176.094 -0.113 0.000 1.055 143 V CA 2.068 64.263 62.300 -0.176 0.000 1.038 143 V CB -0.652 30.953 31.823 -0.364 0.000 0.651 143 V HN 0.643 nan 8.190 nan 0.000 0.450 144 S N 0.363 116.009 115.700 -0.091 0.000 2.423 144 S HA -0.163 4.307 4.470 0.001 0.000 0.231 144 S C 1.449 176.025 174.600 -0.039 0.000 1.014 144 S CA 1.714 59.877 58.200 -0.060 0.000 0.965 144 S CB -0.667 62.501 63.200 -0.053 0.000 0.785 144 S HN 0.729 nan 8.310 nan 0.000 0.495 145 N N 0.866 119.543 118.700 -0.038 0.000 2.280 145 N HA 0.358 5.099 4.740 0.001 0.000 0.192 145 N C 0.815 176.315 175.510 -0.016 0.000 1.109 145 N CA 0.353 53.389 53.050 -0.023 0.000 0.855 145 N CB 0.389 38.863 38.487 -0.021 0.000 0.974 145 N HN 0.556 nan 8.380 nan 0.000 0.482 146 G N 0.485 109.274 108.800 -0.018 0.000 2.221 146 G HA2 -0.276 3.685 3.960 0.001 0.000 0.265 146 G HA3 -0.276 3.685 3.960 0.001 0.000 0.265 146 G C -0.202 174.699 174.900 0.000 0.000 1.041 146 G CA -0.117 44.982 45.100 -0.003 0.000 0.807 146 G HN 0.362 nan 8.290 nan 0.000 0.502 147 C N -0.260 119.034 119.300 -0.009 0.000 2.435 147 C HA 0.781 5.242 4.460 0.001 0.000 0.333 147 C C 1.003 175.990 174.990 -0.005 0.000 1.202 147 C CA -1.064 57.948 59.018 -0.009 0.000 1.830 147 C CB 1.323 29.051 27.740 -0.019 0.000 2.326 147 C HN 0.624 nan 8.230 nan 0.000 0.507 148 R N 0.679 121.177 120.500 -0.004 0.000 2.528 148 R HA 0.676 5.016 4.340 0.001 0.000 0.271 148 R C 0.222 176.512 176.300 -0.016 0.000 1.056 148 R CA -0.018 56.081 56.100 -0.002 0.000 1.117 148 R CB 1.001 31.300 30.300 -0.001 0.000 1.085 148 R HN 0.983 nan 8.270 nan 0.000 0.530 149 G N -0.795 107.994 108.800 -0.018 0.000 2.623 149 G HA2 0.373 4.333 3.960 0.001 0.000 0.290 149 G HA3 0.373 4.333 3.960 0.001 0.000 0.290 149 G C -1.675 173.204 174.900 -0.035 0.000 1.437 149 G CA -0.389 44.693 45.100 -0.031 0.000 0.798 149 G HN 0.387 nan 8.290 nan 0.000 0.488 150 S N -0.270 115.403 115.700 -0.044 0.000 2.733 150 S HA 0.663 5.133 4.470 0.001 0.000 0.294 150 S C -0.741 173.830 174.600 -0.048 0.000 1.149 150 S CA -0.639 57.531 58.200 -0.050 0.000 1.034 150 S CB 0.436 63.598 63.200 -0.063 0.000 1.015 150 S HN 0.512 nan 8.310 nan 0.000 0.486 151 I N 5.270 125.814 120.570 -0.043 0.000 2.378 151 I HA 0.515 4.685 4.170 0.001 0.000 0.291 151 I C -0.939 175.157 176.117 -0.034 0.000 0.992 151 I CA -0.742 60.533 61.300 -0.041 0.000 1.154 151 I CB 1.673 39.649 38.000 -0.040 0.000 1.315 151 I HN 0.530 nan 8.210 nan 0.000 0.448 152 I N 6.409 126.960 120.570 -0.031 0.000 2.447 152 I HA 0.327 4.497 4.170 0.001 0.000 0.287 152 I C -0.685 175.422 176.117 -0.017 0.000 1.023 152 I CA -0.386 60.901 61.300 -0.021 0.000 1.083 152 I CB 1.479 39.469 38.000 -0.017 0.000 1.245 152 I HN 0.450 nan 8.210 nan 0.000 0.434 153 N N 6.837 125.528 118.700 -0.014 0.000 2.392 153 N HA 0.464 5.204 4.740 0.001 0.000 0.283 153 N C -0.813 174.690 175.510 -0.012 0.000 1.003 153 N CA -0.568 52.473 53.050 -0.015 0.000 0.892 153 N CB 2.333 40.810 38.487 -0.016 0.000 1.193 153 N HN 0.326 nan 8.380 nan 0.000 0.487 154 I N 1.147 121.710 120.570 -0.011 0.000 2.337 154 I HA 0.158 4.328 4.170 0.001 0.000 0.291 154 I C 1.347 177.449 176.117 -0.024 0.000 1.046 154 I CA 0.195 61.492 61.300 -0.006 0.000 1.324 154 I CB 0.299 38.303 38.000 0.007 0.000 1.409 154 I HN 0.425 nan 8.210 nan 0.000 0.494 155 S N 4.736 120.417 115.700 -0.032 0.000 3.997 155 S HA 0.633 5.103 4.470 0.001 0.000 0.204 155 S C 0.160 174.725 174.600 -0.058 0.000 1.001 155 S CA -0.002 58.154 58.200 -0.073 0.000 1.662 155 S CB 1.046 64.205 63.200 -0.068 0.000 0.765 155 S HN 0.730 nan 8.310 nan 0.000 0.681 156 S N -1.204 114.464 115.700 -0.052 0.000 2.614 156 S HA 0.327 4.798 4.470 0.001 0.000 0.280 156 S C -0.050 174.556 174.600 0.011 0.000 1.111 156 S CA -0.378 57.828 58.200 0.010 0.000 0.847 156 S CB 0.562 63.800 63.200 0.062 0.000 1.079 156 S HN 0.568 nan 8.310 nan 0.000 0.452 157 I N 3.999 124.593 120.570 0.039 0.000 2.567 157 I HA 0.004 4.175 4.170 0.001 0.000 0.257 157 I C 1.920 178.060 176.117 0.039 0.000 1.184 157 I CA 1.538 62.856 61.300 0.030 0.000 1.451 157 I CB -0.194 37.824 38.000 0.030 0.000 1.089 157 I HN 0.587 nan 8.210 nan 0.000 0.441 158 V N 0.702 120.659 119.914 0.073 0.000 2.490 158 V HA -0.205 3.915 4.120 0.001 0.000 0.250 158 V C 2.509 178.622 176.094 0.033 0.000 1.061 158 V CA 1.776 64.132 62.300 0.093 0.000 1.064 158 V CB -1.667 30.295 31.823 0.232 0.000 0.670 158 V HN 0.596 nan 8.190 nan 0.000 0.461 159 G N -0.694 108.090 108.800 -0.027 0.000 2.509 159 G HA2 -0.237 3.724 3.960 0.001 0.000 0.218 159 G HA3 -0.237 3.724 3.960 0.001 0.000 0.218 159 G C 1.607 176.496 174.900 -0.018 0.000 1.124 159 G CA 0.848 45.915 45.100 -0.055 0.000 0.776 159 G HN 0.525 nan 8.290 nan 0.000 0.547 160 K N 0.097 120.496 120.400 -0.002 0.000 2.276 160 K HA 0.124 4.444 4.320 0.001 0.000 0.198 160 K C 1.947 178.556 176.600 0.014 0.000 1.052 160 K CA 1.116 57.406 56.287 0.004 0.000 0.984 160 K CB 0.255 32.758 32.500 0.005 0.000 0.836 160 K HN 0.269 nan 8.250 nan 0.000 0.490 161 V N -3.546 116.381 119.914 0.023 0.000 3.451 161 V HA 0.434 4.554 4.120 0.001 0.000 0.288 161 V C 0.399 176.516 176.094 0.040 0.000 1.502 161 V CA 0.140 62.457 62.300 0.028 0.000 1.026 161 V CB 0.045 31.884 31.823 0.027 0.000 0.840 161 V HN 0.308 nan 8.190 nan 0.000 0.437 162 G N 1.167 109.997 108.800 0.050 0.000 2.781 162 G HA2 0.003 3.963 3.960 0.001 0.000 0.683 162 G HA3 0.003 3.963 3.960 0.001 0.000 0.683 162 G C -0.866 174.080 174.900 0.076 0.000 1.390 162 G CA 0.114 45.254 45.100 0.067 0.000 0.850 162 G HN 1.193 nan 8.290 nan 0.000 0.557 163 N N -1.411 117.343 118.700 0.090 0.000 2.521 163 N HA 0.446 5.187 4.740 0.001 0.000 0.269 163 N C -0.185 175.376 175.510 0.085 0.000 1.079 163 N CA -0.080 53.018 53.050 0.080 0.000 0.980 163 N CB 1.996 40.528 38.487 0.076 0.000 1.667 163 N HN 0.946 nan 8.380 nan 0.000 0.498 164 V N 2.595 122.564 119.914 0.093 0.000 2.644 164 V HA 0.265 4.385 4.120 0.001 0.000 0.305 164 V C 1.688 177.831 176.094 0.081 0.000 1.053 164 V CA 1.836 64.219 62.300 0.139 0.000 1.186 164 V CB 0.391 32.325 31.823 0.185 0.000 0.895 164 V HN 1.036 nan 8.190 nan 0.000 0.490 165 G N 3.872 112.719 108.800 0.078 0.000 2.179 165 G HA2 -0.254 3.707 3.960 0.001 0.000 0.260 165 G HA3 -0.254 3.707 3.960 0.001 0.000 0.260 165 G C 0.346 175.206 174.900 -0.066 0.000 0.977 165 G CA 0.439 45.447 45.100 -0.155 0.000 0.641 165 G HN 0.728 nan 8.290 nan 0.000 0.533 166 Q N -0.223 119.596 119.800 0.032 0.000 2.158 166 Q HA 0.254 4.595 4.340 0.001 0.000 0.306 166 Q C 1.564 177.650 176.000 0.144 0.000 0.878 166 Q CA 0.370 56.217 55.803 0.073 0.000 1.136 166 Q CB 0.534 29.316 28.738 0.073 0.000 1.253 166 Q HN 0.332 nan 8.270 nan 0.000 0.441 167 T N 1.764 116.410 114.554 0.154 0.000 2.699 167 T HA -0.186 4.165 4.350 0.001 0.000 0.268 167 T C 1.705 176.547 174.700 0.237 0.000 1.036 167 T CA 2.104 64.326 62.100 0.203 0.000 1.147 167 T CB -0.109 68.894 68.868 0.225 0.000 0.862 167 T HN 0.540 nan 8.240 nan 0.000 0.446 168 N N 0.726 119.549 118.700 0.205 0.000 2.142 168 N HA -0.137 4.604 4.740 0.001 0.000 0.186 168 N C 1.683 177.133 175.510 -0.099 0.000 1.023 168 N CA 1.444 54.470 53.050 -0.039 0.000 0.852 168 N CB -1.117 37.338 38.487 -0.053 0.000 0.998 168 N HN 0.505 nan 8.380 nan 0.000 0.424 169 Y N 1.079 121.320 120.300 -0.099 0.000 2.163 169 Y HA 0.119 4.669 4.550 0.000 0.000 0.288 169 Y C 2.640 178.501 175.900 -0.065 0.000 1.136 169 Y CA 1.692 59.736 58.100 -0.092 0.000 1.147 169 Y CB -0.641 37.785 38.460 -0.057 0.000 0.987 169 Y HN 0.168 nan 8.280 nan 0.000 0.509 170 A N 0.522 123.392 122.820 0.084 0.000 1.908 170 A HA -0.188 4.132 4.320 0.001 0.000 0.218 170 A C 2.417 179.972 177.584 -0.048 0.000 1.181 170 A CA 2.151 54.193 52.037 0.009 0.000 0.627 170 A CB -1.522 17.530 19.000 0.087 0.000 0.818 170 A HN 0.599 nan 8.150 nan 0.000 0.445 171 A N 0.193 123.002 122.820 -0.019 0.000 1.898 171 A HA -0.084 4.237 4.320 0.001 0.000 0.216 171 A C 2.547 180.059 177.584 -0.120 0.000 1.181 171 A CA 2.396 54.424 52.037 -0.016 0.000 0.620 171 A CB -1.032 18.031 19.000 0.104 0.000 0.819 171 A HN 1.054 nan 8.150 nan 0.000 0.442 172 S N -0.389 115.175 115.700 -0.227 0.000 2.368 172 S HA -0.158 4.312 4.470 0.001 0.000 0.225 172 S C 1.845 176.308 174.600 -0.227 0.000 1.030 172 S CA 1.456 59.509 58.200 -0.246 0.000 0.999 172 S CB -0.227 62.800 63.200 -0.288 0.000 0.844 172 S HN 0.414 nan 8.310 nan 0.000 0.459 173 K N 1.785 122.004 120.400 -0.303 0.000 2.116 173 K HA 0.330 4.650 4.320 0.001 0.000 0.203 173 K C 2.501 179.008 176.600 -0.154 0.000 1.052 173 K CA 1.103 57.220 56.287 -0.284 0.000 0.952 173 K CB -1.159 31.071 32.500 -0.450 0.000 0.729 173 K HN 0.488 nan 8.250 nan 0.000 0.446 174 A N 1.160 123.912 122.820 -0.114 0.000 1.902 174 A HA -0.080 4.240 4.320 0.001 0.000 0.217 174 A C 2.448 180.001 177.584 -0.050 0.000 1.181 174 A CA 2.070 54.071 52.037 -0.060 0.000 0.623 174 A CB -1.112 17.870 19.000 -0.029 0.000 0.818 174 A HN 0.356 nan 8.150 nan 0.000 0.443 175 G N -0.681 108.083 108.800 -0.060 0.000 2.422 175 G HA2 -0.100 3.860 3.960 0.001 0.000 0.218 175 G HA3 -0.100 3.860 3.960 0.001 0.000 0.218 175 G C 1.481 176.356 174.900 -0.042 0.000 1.146 175 G CA 1.194 46.267 45.100 -0.046 0.000 0.769 175 G HN 0.321 nan 8.290 nan 0.000 0.547 176 V N 0.987 120.867 119.914 -0.058 0.000 2.358 176 V HA -0.123 3.997 4.120 0.001 0.000 0.246 176 V C 2.766 178.843 176.094 -0.028 0.000 1.047 176 V CA 1.390 63.665 62.300 -0.041 0.000 1.035 176 V CB -0.308 31.477 31.823 -0.064 0.000 0.658 176 V HN 0.397 nan 8.190 nan 0.000 0.452 177 I N 0.587 121.135 120.570 -0.036 0.000 2.179 177 I HA -0.165 4.006 4.170 0.001 0.000 0.242 177 I C 2.622 178.730 176.117 -0.015 0.000 1.088 177 I CA 1.781 63.066 61.300 -0.024 0.000 1.357 177 I CB -0.962 37.022 38.000 -0.026 0.000 1.051 177 I HN 0.399 nan 8.210 nan 0.000 0.409 178 G N 0.988 109.779 108.800 -0.015 0.000 2.446 178 G HA2 -0.262 3.699 3.960 0.001 0.000 0.217 178 G HA3 -0.262 3.699 3.960 0.001 0.000 0.217 178 G C 1.765 176.665 174.900 -0.001 0.000 1.168 178 G CA 0.721 45.816 45.100 -0.009 0.000 0.771 178 G HN 0.375 nan 8.290 nan 0.000 0.551 179 L N 0.486 121.711 121.223 0.004 0.000 2.013 179 L HA -0.143 4.198 4.340 0.001 0.000 0.212 179 L C 2.886 179.775 176.870 0.031 0.000 1.073 179 L CA 2.356 57.213 54.840 0.029 0.000 0.753 179 L CB -0.565 41.522 42.059 0.046 0.000 0.890 179 L HN 0.246 nan 8.230 nan 0.000 0.432 180 T N -0.669 113.894 114.554 0.015 0.000 2.777 180 T HA -0.200 4.150 4.350 0.001 0.000 0.266 180 T C 1.809 176.509 174.700 0.001 0.000 1.040 180 T CA 1.444 63.548 62.100 0.007 0.000 1.141 180 T CB -0.174 68.692 68.868 -0.004 0.000 0.868 180 T HN 0.448 nan 8.240 nan 0.000 0.444 181 Q N 0.412 120.211 119.800 -0.002 0.000 2.077 181 Q HA -0.140 4.200 4.340 0.001 0.000 0.206 181 Q C 2.584 178.583 176.000 -0.003 0.000 0.989 181 Q CA 1.823 57.622 55.803 -0.007 0.000 0.853 181 Q CB -0.384 28.349 28.738 -0.008 0.000 0.907 181 Q HN 0.467 nan 8.270 nan 0.000 0.418 182 T N 0.531 115.089 114.554 0.006 0.000 2.777 182 T HA -0.096 4.254 4.350 0.001 0.000 0.266 182 T C 1.860 176.572 174.700 0.021 0.000 1.040 182 T CA 1.092 63.200 62.100 0.013 0.000 1.141 182 T CB -0.281 68.598 68.868 0.019 0.000 0.868 182 T HN 0.392 nan 8.240 nan 0.000 0.444 183 A N 1.631 124.468 122.820 0.029 0.000 1.908 183 A HA 0.105 4.426 4.320 0.001 0.000 0.218 183 A C 2.658 180.253 177.584 0.018 0.000 1.181 183 A CA 1.902 53.958 52.037 0.032 0.000 0.627 183 A CB -1.168 17.850 19.000 0.031 0.000 0.818 183 A HN 0.503 nan 8.150 nan 0.000 0.445 184 A N -0.496 122.326 122.820 0.003 0.000 1.908 184 A HA -0.183 4.138 4.320 0.001 0.000 0.218 184 A C 2.173 179.750 177.584 -0.012 0.000 1.181 184 A CA 2.051 54.081 52.037 -0.011 0.000 0.627 184 A CB -0.425 18.559 19.000 -0.026 0.000 0.818 184 A HN 0.397 nan 8.150 nan 0.000 0.445 185 R N 0.112 120.606 120.500 -0.010 0.000 2.096 185 R HA -0.065 4.275 4.340 0.001 0.000 0.235 185 R C 1.998 178.294 176.300 -0.006 0.000 1.127 185 R CA 1.781 57.873 56.100 -0.014 0.000 0.968 185 R CB -0.459 29.835 30.300 -0.010 0.000 0.861 185 R HN 0.761 nan 8.270 nan 0.000 0.440 186 E N -0.438 119.771 120.200 0.015 0.000 2.158 186 E HA -0.025 4.325 4.350 0.001 0.000 0.191 186 E C 1.423 178.064 176.600 0.067 0.000 0.982 186 E CA 0.717 57.139 56.400 0.036 0.000 0.823 186 E CB 0.117 29.851 29.700 0.057 0.000 0.766 186 E HN 0.274 nan 8.360 nan 0.000 0.468 187 L N -0.110 121.156 121.223 0.072 0.000 2.585 187 L HA 0.182 4.522 4.340 0.001 0.000 0.226 187 L C 2.273 179.182 176.870 0.065 0.000 1.113 187 L CA 0.081 55.003 54.840 0.137 0.000 0.876 187 L CB 0.036 42.150 42.059 0.092 0.000 1.072 187 L HN 0.143 nan 8.230 nan 0.000 0.468 188 G N 1.641 110.440 108.800 -0.002 0.000 2.418 188 G HA2 -0.267 3.693 3.960 0.001 0.000 0.217 188 G HA3 -0.267 3.693 3.960 0.001 0.000 0.217 188 G C 1.672 176.541 174.900 -0.052 0.000 1.158 188 G CA 0.739 45.824 45.100 -0.026 0.000 0.771 188 G HN 0.489 nan 8.290 nan 0.000 0.545 189 R N -0.390 120.034 120.500 -0.128 0.000 2.249 189 R HA -0.058 4.282 4.340 0.001 0.000 0.230 189 R C 1.337 177.481 176.300 -0.260 0.000 1.121 189 R CA 1.448 57.420 56.100 -0.214 0.000 0.997 189 R CB -0.576 29.539 30.300 -0.308 0.000 0.867 189 R HN 0.382 nan 8.270 nan 0.000 0.465 190 H N -0.019 119.046 119.070 -0.008 0.000 2.529 190 H HA 0.200 4.757 4.556 0.001 0.000 0.277 190 H C 0.894 176.215 175.328 -0.012 0.000 1.004 190 H CA 0.479 56.521 56.048 -0.010 0.000 1.167 190 H CB 0.935 30.689 29.762 -0.013 0.000 1.445 190 H HN 0.573 nan 8.280 nan 0.000 0.554 191 G N 1.553 110.394 108.800 0.069 0.000 2.160 191 G HA2 -0.261 3.700 3.960 0.001 0.000 0.244 191 G HA3 -0.261 3.700 3.960 0.001 0.000 0.244 191 G C 0.022 174.941 174.900 0.032 0.000 1.022 191 G CA 0.104 45.228 45.100 0.041 0.000 0.741 191 G HN 0.361 nan 8.290 nan 0.000 0.508 192 I N 0.407 121.000 120.570 0.039 0.000 2.410 192 I HA 0.429 4.600 4.170 0.001 0.000 0.286 192 I C 0.618 176.735 176.117 -0.000 0.000 1.009 192 I CA -0.886 60.424 61.300 0.016 0.000 1.111 192 I CB 1.410 39.423 38.000 0.022 0.000 1.262 192 I HN 0.002 nan 8.210 nan 0.000 0.443 193 R N 4.070 124.558 120.500 -0.020 0.000 2.457 193 R HA 0.627 4.967 4.340 0.001 0.000 0.284 193 R C -1.036 175.244 176.300 -0.034 0.000 1.024 193 R CA -0.488 55.591 56.100 -0.034 0.000 1.025 193 R CB 1.814 32.084 30.300 -0.050 0.000 1.063 193 R HN 0.553 nan 8.270 nan 0.000 0.493 194 C N 3.073 122.353 119.300 -0.034 0.000 2.516 194 C HA 0.499 4.960 4.460 0.001 0.000 0.338 194 C C -1.281 173.692 174.990 -0.028 0.000 1.132 194 C CA -0.547 58.454 59.018 -0.028 0.000 1.310 194 C CB 0.437 28.167 27.740 -0.017 0.000 1.898 194 C HN 0.834 nan 8.230 nan 0.000 0.452 195 N N 2.512 121.197 118.700 -0.025 0.000 2.416 195 N HA 0.534 5.275 4.740 0.001 0.000 0.276 195 N C -1.345 174.158 175.510 -0.011 0.000 1.261 195 N CA -0.436 52.603 53.050 -0.018 0.000 0.790 195 N CB 2.490 40.965 38.487 -0.019 0.000 1.554 195 N HN 0.589 nan 8.380 nan 0.000 0.481 196 S N 0.264 115.961 115.700 -0.004 0.000 2.537 196 S HA 0.625 5.095 4.470 0.001 0.000 0.301 196 S C -0.386 174.218 174.600 0.007 0.000 1.092 196 S CA -0.609 57.589 58.200 -0.004 0.000 1.048 196 S CB 1.835 65.029 63.200 -0.010 0.000 1.053 196 S HN 0.238 nan 8.310 nan 0.000 0.501 197 V N 3.177 123.096 119.914 0.008 0.000 2.555 197 V HA 0.491 4.611 4.120 0.001 0.000 0.302 197 V C -1.191 174.910 176.094 0.012 0.000 1.038 197 V CA -0.682 61.630 62.300 0.019 0.000 0.887 197 V CB 1.488 33.327 31.823 0.027 0.000 0.991 197 V HN 0.628 nan 8.190 nan 0.000 0.434 198 L N 7.413 128.645 121.223 0.015 0.000 2.408 198 L HA 0.497 4.837 4.340 0.001 0.000 0.257 198 L C -2.477 174.406 176.870 0.022 0.000 1.053 198 L CA -1.458 53.390 54.840 0.013 0.000 0.922 198 L CB 1.058 43.122 42.059 0.008 0.000 1.261 198 L HN 0.437 nan 8.230 nan 0.000 0.458 199 P HA 0.305 nan 4.420 nan 0.000 0.274 199 P C 0.402 177.723 177.300 0.036 0.000 1.231 199 P CA -0.254 62.865 63.100 0.032 0.000 0.790 199 P CB 1.147 32.870 31.700 0.038 0.000 0.951 200 G N -0.224 108.591 108.800 0.025 0.000 3.086 200 G HA2 0.171 4.132 3.960 0.001 0.000 0.159 200 G HA3 0.171 4.132 3.960 0.001 0.000 0.159 200 G C -0.691 174.223 174.900 0.023 0.000 1.654 200 G CA -0.375 44.738 45.100 0.022 0.000 1.078 200 G HN 0.338 nan 8.290 nan 0.000 0.558 201 F N 1.409 121.365 119.950 0.011 0.000 2.434 201 F HA 0.417 4.945 4.527 0.001 0.000 0.358 201 F C 0.124 175.932 175.800 0.014 0.000 1.136 201 F CA -1.180 56.825 58.000 0.008 0.000 1.157 201 F CB -0.142 38.859 39.000 0.001 0.000 1.167 201 F HN 0.058 nan 8.300 nan 0.000 0.539 202 I N 2.328 122.908 120.570 0.017 0.000 2.354 202 I HA 0.424 4.594 4.170 0.001 0.000 0.292 202 I C 0.558 176.684 176.117 0.016 0.000 0.989 202 I CA -1.411 59.903 61.300 0.023 0.000 1.188 202 I CB 1.097 39.112 38.000 0.025 0.000 1.342 202 I HN 0.585 nan 8.210 nan 0.000 0.457 203 A N 5.682 128.514 122.820 0.021 0.000 2.473 203 A HA 0.477 4.797 4.320 0.001 0.000 0.282 203 A C 0.656 178.245 177.584 0.009 0.000 1.163 203 A CA 0.229 52.274 52.037 0.013 0.000 0.827 203 A CB -0.592 18.418 19.000 0.017 0.000 1.098 203 A HN 0.892 nan 8.150 nan 0.000 0.515 204 T N -0.273 114.283 114.554 0.003 0.000 2.696 204 T HA 0.693 5.043 4.350 0.001 0.000 0.291 204 T C -2.136 172.560 174.700 -0.005 0.000 1.095 204 T CA -0.695 61.405 62.100 0.001 0.000 1.026 204 T CB 0.786 69.657 68.868 0.005 0.000 1.390 204 T HN 0.156 nan 8.240 nan 0.000 0.513 205 P HA 0.207 nan 4.420 nan 0.000 0.225 205 P C 0.976 178.265 177.300 -0.018 0.000 1.156 205 P CA 0.190 63.283 63.100 -0.010 0.000 0.787 205 P CB -0.080 31.616 31.700 -0.007 0.000 0.802 218 I N 2.935 123.507 120.570 0.004 0.000 2.264 218 I HA -0.134 4.036 4.170 0.001 0.000 0.248 218 I C 2.698 178.813 176.117 -0.003 0.000 1.111 218 I CA 3.166 64.467 61.300 0.001 0.000 1.382 218 I CB -1.574 36.426 38.000 0.000 0.000 1.060 218 I HN 0.888 nan 8.210 nan 0.000 0.418 219 T N -1.579 112.975 114.554 -0.000 0.000 2.995 219 T HA 0.056 4.406 4.350 0.001 0.000 0.269 219 T C 1.990 176.686 174.700 -0.008 0.000 1.091 219 T CA 1.783 63.880 62.100 -0.004 0.000 1.128 219 T CB -0.808 68.068 68.868 0.013 0.000 0.891 219 T HN 0.979 nan 8.240 nan 0.000 0.492 220 E N 1.974 122.173 120.200 -0.002 0.000 2.204 220 E HA 0.029 4.380 4.350 0.001 0.000 0.195 220 E C 1.964 178.560 176.600 -0.007 0.000 0.990 220 E CA 1.400 57.799 56.400 -0.002 0.000 0.821 220 E CB -1.034 28.667 29.700 0.002 0.000 0.750 220 E HN 0.841 nan 8.360 nan 0.000 0.477 221 M N -0.568 119.026 119.600 -0.009 0.000 2.561 221 M HA 0.314 4.794 4.480 0.001 0.000 0.238 221 M C 0.125 176.411 176.300 -0.022 0.000 1.131 221 M CA 0.308 55.602 55.300 -0.011 0.000 1.046 221 M CB 0.263 32.860 32.600 -0.006 0.000 1.532 221 M HN 0.108 nan 8.290 nan 0.000 0.497 222 I N 1.277 121.826 120.570 -0.035 0.000 2.359 222 I HA 0.209 4.380 4.170 0.001 0.000 0.284 222 I C -1.768 174.307 176.117 -0.070 0.000 1.018 222 I CA -1.958 59.305 61.300 -0.063 0.000 1.173 222 I CB 1.395 39.339 38.000 -0.093 0.000 1.326 222 I HN -0.154 nan 8.210 nan 0.000 0.462 223 P HA -0.170 nan 4.420 nan 0.000 0.216 223 P C 1.688 178.949 177.300 -0.066 0.000 1.150 223 P CA 1.344 64.415 63.100 -0.049 0.000 0.843 223 P CB 0.134 31.811 31.700 -0.038 0.000 0.787 224 M N -2.526 117.000 119.600 -0.124 0.000 2.374 224 M HA 0.086 4.566 4.480 0.001 0.000 0.264 224 M C 1.513 177.702 176.300 -0.185 0.000 1.067 224 M CA 1.596 56.793 55.300 -0.172 0.000 1.103 224 M CB -1.780 30.637 32.600 -0.304 0.000 1.402 224 M HN 0.198 nan 8.290 nan 0.000 0.444 225 G N 1.012 109.708 108.800 -0.173 0.000 2.141 225 G HA2 -0.230 3.731 3.960 0.001 0.000 0.231 225 G HA3 -0.230 3.731 3.960 0.001 0.000 0.231 225 G C -0.078 174.845 174.900 0.038 0.000 0.984 225 G CA 0.535 45.615 45.100 -0.032 0.000 0.660 225 G HN 0.728 nan 8.290 nan 0.000 0.525 226 H N -2.714 116.356 119.070 0.000 0.000 3.003 226 H HA 0.688 5.244 4.556 0.001 0.000 0.327 226 H C -0.119 175.209 175.328 0.001 0.000 1.353 226 H CA -1.426 54.622 56.048 0.000 0.000 1.142 226 H CB 0.369 30.131 29.762 -0.001 0.000 1.864 226 H HN 0.199 nan 8.280 nan 0.000 0.529 227 L N 1.307 122.611 121.223 0.134 0.000 2.467 227 L HA 0.379 4.720 4.340 0.001 0.000 0.270 227 L C 1.326 178.290 176.870 0.156 0.000 1.205 227 L CA 0.179 55.069 54.840 0.084 0.000 0.828 227 L CB 0.384 42.480 42.059 0.062 0.000 1.101 227 L HN 0.938 nan 8.230 nan 0.000 0.479 228 G N 0.700 109.551 108.800 0.085 0.000 2.569 228 G HA2 0.242 4.202 3.960 0.001 0.000 0.249 228 G HA3 0.242 4.202 3.960 0.001 0.000 0.249 228 G C -0.753 174.191 174.900 0.074 0.000 1.216 228 G CA -0.506 44.650 45.100 0.094 0.000 0.845 228 G HN 0.582 nan 8.290 nan 0.000 0.568 229 D N 1.032 121.470 120.400 0.064 0.000 2.217 229 D HA 0.304 4.944 4.640 0.001 0.000 0.248 229 D C -1.451 174.867 176.300 0.030 0.000 1.008 229 D CA -1.680 52.342 54.000 0.037 0.000 0.914 229 D CB 1.993 42.808 40.800 0.025 0.000 1.182 229 D HN -0.005 nan 8.370 nan 0.000 0.451 230 P HA -0.134 nan 4.420 nan 0.000 0.217 230 P C 0.692 178.004 177.300 0.019 0.000 1.148 230 P CA 1.238 64.350 63.100 0.019 0.000 0.828 230 P CB 0.437 32.145 31.700 0.013 0.000 0.783 231 E N -0.796 119.414 120.200 0.017 0.000 2.204 231 E HA -0.150 4.201 4.350 0.001 0.000 0.194 231 E C 1.633 178.246 176.600 0.022 0.000 0.989 231 E CA 0.900 57.310 56.400 0.016 0.000 0.824 231 E CB -0.796 28.910 29.700 0.011 0.000 0.756 231 E HN 0.285 nan 8.360 nan 0.000 0.477 232 D N -0.320 120.096 120.400 0.027 0.000 2.144 232 D HA -0.115 4.525 4.640 0.001 0.000 0.199 232 D C 1.862 178.180 176.300 0.030 0.000 0.984 232 D CA 0.875 54.894 54.000 0.032 0.000 0.834 232 D CB -0.025 40.801 40.800 0.044 0.000 0.955 232 D HN 0.083 nan 8.370 nan 0.000 0.465 233 V N 1.377 121.309 119.914 0.030 0.000 2.323 233 V HA -0.149 3.972 4.120 0.001 0.000 0.244 233 V C 2.572 178.687 176.094 0.034 0.000 1.041 233 V CA 1.551 63.870 62.300 0.031 0.000 1.025 233 V CB -0.808 31.032 31.823 0.029 0.000 0.656 233 V HN 0.147 nan 8.190 nan 0.000 0.451 234 A N 0.151 122.988 122.820 0.028 0.000 1.940 234 A HA -0.273 4.047 4.320 0.001 0.000 0.219 234 A C 1.951 179.559 177.584 0.039 0.000 1.176 234 A CA 2.080 54.134 52.037 0.028 0.000 0.631 234 A CB -0.656 18.355 19.000 0.019 0.000 0.814 234 A HN 0.543 nan 8.150 nan 0.000 0.446 235 D N -0.166 120.257 120.400 0.038 0.000 2.123 235 D HA -0.123 4.517 4.640 0.001 0.000 0.196 235 D C 2.051 178.397 176.300 0.078 0.000 0.992 235 D CA 1.626 55.654 54.000 0.047 0.000 0.833 235 D CB -0.470 40.346 40.800 0.028 0.000 0.954 235 D HN 0.274 nan 8.370 nan 0.000 0.455 236 V N 0.601 120.560 119.914 0.075 0.000 2.358 236 V HA -0.167 3.954 4.120 0.001 0.000 0.246 236 V C 2.655 178.841 176.094 0.153 0.000 1.047 236 V CA 0.868 63.240 62.300 0.121 0.000 1.035 236 V CB -0.448 31.425 31.823 0.084 0.000 0.658 236 V HN 0.050 nan 8.190 nan 0.000 0.452 237 V N 0.559 120.526 119.914 0.089 0.000 2.407 237 V HA -0.229 3.892 4.120 0.001 0.000 0.248 237 V C 2.747 178.876 176.094 0.058 0.000 1.055 237 V CA 1.915 64.251 62.300 0.060 0.000 1.049 237 V CB -1.131 30.712 31.823 0.033 0.000 0.662 237 V HN 0.546 nan 8.190 nan 0.000 0.455 238 A N -0.204 122.660 122.820 0.074 0.000 1.902 238 A HA -0.247 4.074 4.320 0.001 0.000 0.217 238 A C 2.106 179.752 177.584 0.103 0.000 1.181 238 A CA 2.033 54.112 52.037 0.070 0.000 0.623 238 A CB -0.705 18.335 19.000 0.067 0.000 0.818 238 A HN 0.541 nan 8.150 nan 0.000 0.443 239 F N 0.732 120.684 119.950 0.003 0.000 2.102 239 F HA -0.140 4.388 4.527 0.001 0.000 0.298 239 F C 1.816 177.619 175.800 0.006 0.000 1.105 239 F CA 1.810 59.814 58.000 0.006 0.000 1.239 239 F CB -0.409 38.596 39.000 0.008 0.000 0.991 239 F HN 0.133 nan 8.300 nan 0.000 0.474 240 L N -0.081 121.054 121.223 -0.147 0.000 2.201 240 L HA -0.106 4.235 4.340 0.001 0.000 0.212 240 L C 2.648 179.410 176.870 -0.181 0.000 1.105 240 L CA 0.935 55.627 54.840 -0.246 0.000 0.775 240 L CB -1.060 40.962 42.059 -0.063 0.000 0.913 240 L HN 0.275 nan 8.230 nan 0.000 0.440 241 A N -0.487 122.270 122.820 -0.104 0.000 2.067 241 A HA -0.023 4.297 4.320 0.001 0.000 0.217 241 A C 1.504 179.034 177.584 -0.090 0.000 1.156 241 A CA 0.816 52.806 52.037 -0.078 0.000 0.683 241 A CB -0.279 18.697 19.000 -0.041 0.000 0.808 241 A HN 0.441 nan 8.150 nan 0.000 0.455 242 S N -0.919 114.710 115.700 -0.118 0.000 2.672 242 S HA 0.296 4.767 4.470 0.001 0.000 0.276 242 S C 0.514 175.037 174.600 -0.128 0.000 1.207 242 S CA -0.387 57.758 58.200 -0.092 0.000 1.002 242 S CB 0.801 63.974 63.200 -0.044 0.000 0.998 242 S HN 0.253 nan 8.310 nan 0.000 0.542 243 E N 0.709 120.865 120.200 -0.073 0.000 2.401 243 E HA -0.102 4.249 4.350 0.001 0.000 0.199 243 E C 0.670 177.231 176.600 -0.064 0.000 1.023 243 E CA 0.622 56.985 56.400 -0.061 0.000 0.859 243 E CB -0.369 29.316 29.700 -0.026 0.000 0.780 243 E HN 0.643 nan 8.360 nan 0.000 0.523 244 D N 0.182 120.539 120.400 -0.073 0.000 2.348 244 D HA -0.063 4.578 4.640 0.001 0.000 0.216 244 D C 1.101 177.315 176.300 -0.144 0.000 0.970 244 D CA 0.682 54.680 54.000 -0.004 0.000 0.889 244 D CB 0.092 41.000 40.800 0.180 0.000 0.912 244 D HN 0.119 nan 8.370 nan 0.000 0.524 245 S N -1.019 114.425 115.700 -0.426 0.000 2.588 245 S HA 0.294 4.765 4.470 0.001 0.000 0.245 245 S C 1.660 176.157 174.600 -0.171 0.000 1.021 245 S CA -0.354 57.571 58.200 -0.458 0.000 1.006 245 S CB 0.629 63.288 63.200 -0.900 0.000 0.830 245 S HN 0.088 nan 8.310 nan 0.000 0.468 246 G N 0.413 109.171 108.800 -0.070 0.000 2.559 246 G HA2 -0.111 3.850 3.960 0.001 0.000 0.216 246 G HA3 -0.111 3.850 3.960 0.001 0.000 0.216 246 G C 0.607 175.564 174.900 0.096 0.000 1.126 246 G CA 0.358 45.455 45.100 -0.006 0.000 0.778 246 G HN 0.605 nan 8.290 nan 0.000 0.543 247 Y N 0.615 120.888 120.300 -0.044 0.000 2.658 247 Y HA 0.496 5.046 4.550 0.000 0.000 0.276 247 Y C 0.302 176.191 175.900 -0.019 0.000 1.167 247 Y CA -1.754 56.332 58.100 -0.023 0.000 1.230 247 Y CB 0.086 38.542 38.460 -0.006 0.000 1.144 247 Y HN -0.046 nan 8.280 nan 0.000 0.529 248 I N 0.876 121.428 120.570 -0.031 0.000 2.328 248 I HA 0.319 4.490 4.170 0.001 0.000 0.287 248 I C 0.031 176.090 176.117 -0.096 0.000 1.012 248 I CA -0.267 60.991 61.300 -0.070 0.000 1.195 248 I CB 1.400 39.384 38.000 -0.026 0.000 1.350 248 I HN -0.036 nan 8.210 nan 0.000 0.464 249 T N 3.305 117.789 114.554 -0.118 0.000 2.889 249 T HA 0.543 4.894 4.350 0.001 0.000 0.315 249 T C 0.419 175.073 174.700 -0.076 0.000 1.291 249 T CA 0.302 62.349 62.100 -0.089 0.000 1.028 249 T CB 1.566 70.378 68.868 -0.092 0.000 1.235 249 T HN 0.926 nan 8.240 nan 0.000 0.491 250 G N 1.889 110.659 108.800 -0.051 0.000 2.153 250 G HA2 -0.189 3.771 3.960 0.001 0.000 0.252 250 G HA3 -0.189 3.771 3.960 0.001 0.000 0.252 250 G C 0.279 175.161 174.900 -0.030 0.000 0.994 250 G CA 0.842 45.920 45.100 -0.038 0.000 0.698 250 G HN 1.002 nan 8.290 nan 0.000 0.521 251 T N -0.605 113.935 114.554 -0.024 0.000 2.905 251 T HA 0.766 5.116 4.350 0.001 0.000 0.283 251 T C 0.259 174.959 174.700 -0.001 0.000 1.031 251 T CA 0.566 62.659 62.100 -0.011 0.000 1.002 251 T CB 1.435 70.300 68.868 -0.004 0.000 1.200 251 T HN 1.210 nan 8.240 nan 0.000 0.560 252 S N 0.819 116.522 115.700 0.006 0.000 2.532 252 S HA 0.719 5.190 4.470 0.001 0.000 0.299 252 S C -1.167 173.446 174.600 0.022 0.000 1.105 252 S CA -0.694 57.512 58.200 0.010 0.000 1.018 252 S CB 1.400 64.601 63.200 0.003 0.000 1.021 252 S HN 0.492 nan 8.310 nan 0.000 0.483 253 V N 2.192 122.125 119.914 0.031 0.000 2.384 253 V HA 0.422 4.542 4.120 0.001 0.000 0.287 253 V C -0.046 176.064 176.094 0.027 0.000 1.020 253 V CA -0.665 61.658 62.300 0.039 0.000 0.850 253 V CB 1.431 33.296 31.823 0.069 0.000 0.987 253 V HN 0.949 nan 8.190 nan 0.000 0.436 254 E N 3.093 123.304 120.200 0.018 0.000 2.259 254 E HA 0.431 4.782 4.350 0.001 0.000 0.281 254 E C -0.257 176.349 176.600 0.010 0.000 1.027 254 E CA -0.436 55.971 56.400 0.013 0.000 0.838 254 E CB 1.989 31.693 29.700 0.008 0.000 1.066 254 E HN 0.507 nan 8.360 nan 0.000 0.401 255 V N 2.701 122.622 119.914 0.012 0.000 2.313 255 V HA 0.287 4.407 4.120 0.001 0.000 0.262 255 V C 0.795 176.892 176.094 0.005 0.000 1.011 255 V CA -0.014 62.292 62.300 0.009 0.000 0.858 255 V CB 0.645 32.479 31.823 0.018 0.000 1.104 255 V HN 0.992 nan 8.190 nan 0.000 0.456 256 T N -2.373 112.178 114.554 -0.006 0.000 3.087 256 T HA 0.334 4.684 4.350 0.001 0.000 0.283 256 T C 1.419 176.096 174.700 -0.038 0.000 0.956 256 T CA 0.652 62.745 62.100 -0.013 0.000 0.894 256 T CB 0.764 69.628 68.868 -0.007 0.000 1.160 256 T HN 1.267 nan 8.240 nan 0.000 0.532 257 G N 1.184 109.954 108.800 -0.050 0.000 2.155 257 G HA2 0.108 4.069 3.960 0.001 0.000 0.257 257 G HA3 0.108 4.069 3.960 0.001 0.000 0.257 257 G C 1.195 176.049 174.900 -0.076 0.000 0.983 257 G CA 0.510 45.554 45.100 -0.093 0.000 0.676 257 G HN 1.893 nan 8.290 nan 0.000 0.528 258 G N -1.816 106.956 108.800 -0.046 0.000 2.136 258 G HA2 -0.011 3.949 3.960 0.001 0.000 0.242 258 G HA3 -0.011 3.949 3.960 0.001 0.000 0.242 258 G C 0.665 175.548 174.900 -0.029 0.000 0.989 258 G CA 0.634 45.714 45.100 -0.033 0.000 0.682 258 G HN 1.790 nan 8.290 nan 0.000 0.522 259 L N 0.000 121.205 121.223 -0.030 0.000 2.949 259 L HA 0.000 4.341 4.340 0.001 0.000 0.249 259 L CA 0.000 54.828 54.840 -0.020 0.000 0.813 259 L CB 0.000 42.050 42.059 -0.015 0.000 0.961 259 L HN 0.000 nan 8.230 nan 0.000 0.502