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 2uum_1_R DATA FIRST_RESID 1 DATA SEQUENCE MFDAFTKVVS QADTRGEMLS TAQIDALSQM VAESNKRLDV VNRITSNAST DATA SEQUENCE IVSNAARSLF AEQPQLIAPG GNAYTSTRMA ACLRDMEIIL RYVTYAVFAG DATA SEQUENCE DASVLEDRCL NGLRETYLAL GTPGSSVAVG VGKMKEAALA IVNDPAGITP DATA SEQUENCE GDCSALASEI ASYFDRACAA VS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.033 176.300 -0.444 0.000 1.140 1 M CA 0.000 55.087 55.300 -0.355 0.000 0.988 1 M CB 0.000 32.521 32.600 -0.132 0.000 1.302 2 F N 1.094 121.061 119.950 0.028 0.000 2.492 2 F HA 0.695 5.222 4.527 0.000 0.000 0.327 2 F C -0.027 175.798 175.800 0.043 0.000 1.079 2 F CA -0.242 57.780 58.000 0.037 0.000 0.967 2 F CB 1.428 40.447 39.000 0.032 0.000 1.169 2 F HN 0.769 nan 8.300 nan 0.000 0.472 3 D N 0.489 121.047 120.400 0.263 0.000 2.440 3 D HA 0.534 5.175 4.640 0.000 0.000 0.258 3 D C 0.889 177.257 176.300 0.114 0.000 1.092 3 D CA -0.593 53.509 54.000 0.170 0.000 1.016 3 D CB 0.719 41.625 40.800 0.176 0.000 1.141 3 D HN 0.516 nan 8.370 nan 0.000 0.552 4 A N -0.484 122.318 122.820 -0.029 0.000 1.948 4 A HA -0.138 4.182 4.320 0.000 0.000 0.220 4 A C 1.900 179.366 177.584 -0.197 0.000 1.177 4 A CA 1.234 53.167 52.037 -0.173 0.000 0.636 4 A CB -1.142 17.651 19.000 -0.345 0.000 0.815 4 A HN 0.566 nan 8.150 nan 0.000 0.449 5 F N 0.379 120.336 119.950 0.012 0.000 2.074 5 F HA -0.117 4.410 4.527 0.000 0.000 0.293 5 F C 3.017 178.822 175.800 0.008 0.000 1.116 5 F CA 1.747 59.749 58.000 0.004 0.000 1.212 5 F CB -0.885 38.119 39.000 0.006 0.000 0.998 5 F HN 0.323 nan 8.300 nan 0.000 0.471 6 T N -1.535 113.184 114.554 0.275 0.000 2.962 6 T HA -0.169 4.181 4.350 0.000 0.000 0.270 6 T C 1.800 176.524 174.700 0.040 0.000 1.088 6 T CA 1.230 63.452 62.100 0.204 0.000 1.127 6 T CB -0.271 68.771 68.868 0.291 0.000 0.883 6 T HN 0.015 nan 8.240 nan 0.000 0.493 7 K N 1.452 121.812 120.400 -0.067 0.000 2.026 7 K HA 0.033 4.353 4.320 0.000 0.000 0.208 7 K C 2.093 178.515 176.600 -0.297 0.000 1.048 7 K CA 1.547 57.584 56.287 -0.417 0.000 0.929 7 K CB -1.026 31.339 32.500 -0.225 0.000 0.713 7 K HN 0.309 nan 8.250 nan 0.000 0.439 8 V N 0.178 120.015 119.914 -0.128 0.000 2.358 8 V HA -0.198 3.922 4.120 0.000 0.000 0.246 8 V C 2.348 178.403 176.094 -0.064 0.000 1.047 8 V CA 1.643 63.892 62.300 -0.085 0.000 1.035 8 V CB -0.350 31.451 31.823 -0.037 0.000 0.658 8 V HN 0.149 nan 8.190 nan 0.000 0.452 9 V N 0.791 120.692 119.914 -0.022 0.000 2.287 9 V HA -0.280 3.840 4.120 0.000 0.000 0.248 9 V C 2.809 178.885 176.094 -0.031 0.000 1.053 9 V CA 2.521 64.821 62.300 0.000 0.000 1.027 9 V CB -0.853 30.999 31.823 0.048 0.000 0.646 9 V HN 0.759 nan 8.190 nan 0.000 0.447 10 S N -0.712 114.937 115.700 -0.086 0.000 2.382 10 S HA -0.316 4.154 4.470 0.000 0.000 0.228 10 S C 1.964 176.507 174.600 -0.095 0.000 1.027 10 S CA 2.023 60.172 58.200 -0.085 0.000 0.991 10 S CB -0.406 62.674 63.200 -0.200 0.000 0.823 10 S HN 0.687 nan 8.310 nan 0.000 0.469 11 Q N 0.705 120.421 119.800 -0.140 0.000 2.050 11 Q HA 0.039 4.379 4.340 0.000 0.000 0.202 11 Q C 2.652 178.622 176.000 -0.050 0.000 0.980 11 Q CA 1.550 57.295 55.803 -0.096 0.000 0.840 11 Q CB -0.546 28.127 28.738 -0.109 0.000 0.898 11 Q HN 0.792 nan 8.270 nan 0.000 0.424 12 A N 0.848 123.644 122.820 -0.041 0.000 1.933 12 A HA -0.256 4.064 4.320 0.000 0.000 0.218 12 A C 1.652 179.230 177.584 -0.010 0.000 1.175 12 A CA 1.901 53.926 52.037 -0.020 0.000 0.628 12 A CB -0.627 18.365 19.000 -0.012 0.000 0.814 12 A HN 0.450 nan 8.150 nan 0.000 0.444 13 D N -0.560 119.836 120.400 -0.007 0.000 2.117 13 D HA -0.161 4.479 4.640 0.000 0.000 0.197 13 D C 2.131 178.433 176.300 0.003 0.000 0.987 13 D CA 2.295 56.297 54.000 0.004 0.000 0.829 13 D CB -0.151 40.658 40.800 0.015 0.000 0.961 13 D HN 0.475 nan 8.370 nan 0.000 0.460 14 T N -2.324 112.230 114.554 -0.001 0.000 2.977 14 T HA -0.080 4.270 4.350 0.000 0.000 0.271 14 T C 1.834 176.534 174.700 -0.001 0.000 1.105 14 T CA 0.623 62.724 62.100 0.002 0.000 1.116 14 T CB -0.266 68.603 68.868 0.002 0.000 0.878 14 T HN 0.109 nan 8.240 nan 0.000 0.509 15 R N 0.321 120.818 120.500 -0.005 0.000 2.300 15 R HA 0.305 4.645 4.340 0.000 0.000 0.199 15 R C 1.865 178.165 176.300 -0.001 0.000 0.920 15 R CA 0.367 56.464 56.100 -0.004 0.000 1.046 15 R CB -0.036 30.259 30.300 -0.008 0.000 0.984 15 R HN 0.557 nan 8.270 nan 0.000 0.493 16 G N 1.879 110.679 108.800 0.000 0.000 2.168 16 G HA2 -0.321 3.639 3.960 0.000 0.000 0.257 16 G HA3 -0.321 3.639 3.960 0.000 0.000 0.257 16 G C -0.183 174.718 174.900 0.001 0.000 0.997 16 G CA 0.479 45.581 45.100 0.002 0.000 0.708 16 G HN 0.383 nan 8.290 nan 0.000 0.520 17 E N -0.365 119.834 120.200 -0.001 0.000 2.222 17 E HA 0.659 5.009 4.350 0.000 0.000 0.272 17 E C 1.156 177.756 176.600 0.001 0.000 0.982 17 E CA -0.814 55.586 56.400 -0.001 0.000 0.842 17 E CB 0.666 30.365 29.700 -0.003 0.000 1.144 17 E HN 0.385 nan 8.360 nan 0.000 0.397 18 M N 2.011 121.612 119.600 0.002 0.000 2.227 18 M HA 0.295 4.775 4.480 0.000 0.000 0.316 18 M C -0.117 176.186 176.300 0.004 0.000 1.144 18 M CA -0.529 54.773 55.300 0.004 0.000 1.121 18 M CB 0.354 32.956 32.600 0.004 0.000 1.440 18 M HN 0.252 nan 8.290 nan 0.000 0.473 19 L N 1.503 122.730 121.223 0.007 0.000 2.426 19 L HA 0.163 4.503 4.340 0.000 0.000 0.271 19 L C 0.859 177.732 176.870 0.005 0.000 1.169 19 L CA -0.443 54.401 54.840 0.007 0.000 0.836 19 L CB 0.641 42.710 42.059 0.015 0.000 1.112 19 L HN 0.874 nan 8.230 nan 0.000 0.465 20 S N -0.248 115.453 115.700 0.002 0.000 2.560 20 S HA -0.004 4.466 4.470 0.000 0.000 0.284 20 S C 1.334 175.937 174.600 0.004 0.000 1.327 20 S CA -0.141 58.060 58.200 0.001 0.000 1.055 20 S CB 1.176 64.374 63.200 -0.002 0.000 0.868 20 S HN 0.824 nan 8.310 nan 0.000 0.506 21 T N 0.731 115.287 114.554 0.004 0.000 2.849 21 T HA -0.146 4.204 4.350 0.000 0.000 0.270 21 T C 1.952 176.655 174.700 0.005 0.000 1.066 21 T CA 1.188 63.292 62.100 0.006 0.000 1.130 21 T CB -1.008 67.864 68.868 0.005 0.000 0.864 21 T HN 0.961 nan 8.240 nan 0.000 0.481 22 A N 1.856 124.676 122.820 0.001 0.000 1.873 22 A HA -0.223 4.097 4.320 0.000 0.000 0.218 22 A C 2.489 180.071 177.584 -0.002 0.000 1.193 22 A CA 2.026 54.062 52.037 -0.002 0.000 0.629 22 A CB -1.027 17.970 19.000 -0.004 0.000 0.826 22 A HN 0.677 nan 8.150 nan 0.000 0.447 23 Q N -0.792 119.007 119.800 -0.002 0.000 2.124 23 Q HA -0.097 4.243 4.340 0.000 0.000 0.202 23 Q C 2.064 178.068 176.000 0.007 0.000 0.977 23 Q CA 1.488 57.289 55.803 -0.003 0.000 0.850 23 Q CB -0.284 28.452 28.738 -0.002 0.000 0.901 23 Q HN 0.765 nan 8.270 nan 0.000 0.429 24 I N 0.755 121.335 120.570 0.016 0.000 2.286 24 I HA -0.228 3.942 4.170 0.000 0.000 0.245 24 I C 1.412 177.545 176.117 0.026 0.000 1.104 24 I CA 0.818 62.137 61.300 0.031 0.000 1.397 24 I CB -0.234 37.785 38.000 0.032 0.000 1.072 24 I HN 0.137 nan 8.210 nan 0.000 0.417 25 D N 1.334 121.742 120.400 0.014 0.000 2.178 25 D HA -0.142 4.498 4.640 0.000 0.000 0.201 25 D C 2.241 178.542 176.300 0.001 0.000 0.980 25 D CA 1.413 55.419 54.000 0.009 0.000 0.842 25 D CB -0.118 40.684 40.800 0.004 0.000 0.948 25 D HN 0.324 nan 8.370 nan 0.000 0.472 26 A N 0.614 123.430 122.820 -0.007 0.000 1.902 26 A HA -0.135 4.185 4.320 0.000 0.000 0.217 26 A C 2.370 179.932 177.584 -0.036 0.000 1.181 26 A CA 0.958 52.981 52.037 -0.023 0.000 0.623 26 A CB -0.769 18.213 19.000 -0.030 0.000 0.818 26 A HN 0.212 nan 8.150 nan 0.000 0.443 27 L N -0.769 120.437 121.223 -0.028 0.000 2.056 27 L HA -0.141 4.199 4.340 0.000 0.000 0.207 27 L C 2.851 179.724 176.870 0.005 0.000 1.078 27 L CA 1.310 56.121 54.840 -0.047 0.000 0.749 27 L CB -0.443 41.630 42.059 0.022 0.000 0.901 27 L HN 0.313 nan 8.230 nan 0.000 0.433 28 S N -0.819 114.904 115.700 0.038 0.000 2.387 28 S HA -0.255 4.215 4.470 0.000 0.000 0.230 28 S C 1.982 176.593 174.600 0.017 0.000 1.035 28 S CA 1.265 59.491 58.200 0.042 0.000 1.014 28 S CB -0.195 63.024 63.200 0.032 0.000 0.836 28 S HN 0.391 nan 8.310 nan 0.000 0.466 29 Q N 0.448 120.246 119.800 -0.002 0.000 2.046 29 Q HA -0.019 4.322 4.340 0.000 0.000 0.200 29 Q C 2.151 178.138 176.000 -0.022 0.000 0.975 29 Q CA 1.120 56.917 55.803 -0.011 0.000 0.836 29 Q CB -0.426 28.302 28.738 -0.017 0.000 0.896 29 Q HN 0.506 nan 8.270 nan 0.000 0.428 30 M N 0.104 119.676 119.600 -0.047 0.000 2.279 30 M HA -0.139 4.341 4.480 0.000 0.000 0.264 30 M C 1.812 178.079 176.300 -0.054 0.000 1.062 30 M CA 0.952 56.208 55.300 -0.074 0.000 1.099 30 M CB 0.024 32.534 32.600 -0.151 0.000 1.394 30 M HN 0.019 nan 8.290 nan 0.000 0.426 31 V N 0.658 120.564 119.914 -0.013 0.000 2.379 31 V HA -0.183 3.937 4.120 0.000 0.000 0.245 31 V C 2.582 178.688 176.094 0.020 0.000 1.044 31 V CA 1.746 64.067 62.300 0.035 0.000 1.036 31 V CB -1.155 30.726 31.823 0.096 0.000 0.664 31 V HN 0.618 nan 8.190 nan 0.000 0.453 32 A N -0.924 121.904 122.820 0.013 0.000 2.172 32 A HA -0.132 4.188 4.320 0.000 0.000 0.216 32 A C 1.793 179.380 177.584 0.005 0.000 1.154 32 A CA 1.207 53.250 52.037 0.011 0.000 0.701 32 A CB -0.279 18.726 19.000 0.008 0.000 0.789 32 A HN 0.627 nan 8.150 nan 0.000 0.465 33 E N -0.331 119.867 120.200 -0.002 0.000 2.569 33 E HA 0.040 4.390 4.350 0.000 0.000 0.205 33 E C 1.230 177.829 176.600 -0.003 0.000 1.006 33 E CA 0.489 56.888 56.400 -0.002 0.000 0.985 33 E CB 0.307 30.002 29.700 -0.008 0.000 1.060 33 E HN 0.720 nan 8.360 nan 0.000 0.460 34 S N -0.125 115.574 115.700 -0.003 0.000 2.425 34 S HA -0.071 4.399 4.470 0.000 0.000 0.225 34 S C 1.545 176.146 174.600 0.002 0.000 1.024 34 S CA 0.560 58.754 58.200 -0.010 0.000 0.951 34 S CB -0.245 62.948 63.200 -0.012 0.000 0.796 34 S HN 0.237 nan 8.310 nan 0.000 0.498 35 N N 1.945 120.652 118.700 0.011 0.000 2.149 35 N HA -0.110 4.630 4.740 0.000 0.000 0.188 35 N C 1.777 177.302 175.510 0.026 0.000 1.019 35 N CA 1.490 54.553 53.050 0.021 0.000 0.857 35 N CB -0.174 38.325 38.487 0.020 0.000 0.997 35 N HN 0.518 nan 8.380 nan 0.000 0.426 36 K N 0.852 121.265 120.400 0.022 0.000 2.057 36 K HA -0.134 4.187 4.320 0.000 0.000 0.206 36 K C 2.117 178.740 176.600 0.038 0.000 1.050 36 K CA 0.727 57.031 56.287 0.028 0.000 0.935 36 K CB -0.140 32.373 32.500 0.021 0.000 0.715 36 K HN 0.163 nan 8.250 nan 0.000 0.439 37 R N 1.495 122.014 120.500 0.031 0.000 2.083 37 R HA -0.145 4.195 4.340 0.000 0.000 0.237 37 R C 2.256 178.597 176.300 0.069 0.000 1.137 37 R CA 1.356 57.481 56.100 0.042 0.000 0.951 37 R CB -0.335 29.969 30.300 0.007 0.000 0.851 37 R HN 0.121 nan 8.270 nan 0.000 0.434 38 L N 0.588 121.846 121.223 0.059 0.000 2.046 38 L HA -0.217 4.123 4.340 0.000 0.000 0.208 38 L C 2.200 179.131 176.870 0.101 0.000 1.077 38 L CA 1.350 56.251 54.840 0.102 0.000 0.747 38 L CB -0.566 41.545 42.059 0.087 0.000 0.896 38 L HN 0.265 nan 8.230 nan 0.000 0.432 39 D N -0.164 120.279 120.400 0.072 0.000 2.123 39 D HA -0.178 4.462 4.640 0.000 0.000 0.196 39 D C 2.267 178.611 176.300 0.073 0.000 0.992 39 D CA 1.867 55.906 54.000 0.064 0.000 0.833 39 D CB -0.192 40.637 40.800 0.048 0.000 0.954 39 D HN 0.335 nan 8.370 nan 0.000 0.455 40 V N -0.413 119.549 119.914 0.081 0.000 2.287 40 V HA -0.222 3.898 4.120 0.000 0.000 0.248 40 V C 2.393 178.551 176.094 0.107 0.000 1.053 40 V CA 1.510 63.865 62.300 0.092 0.000 1.027 40 V CB -0.968 30.916 31.823 0.102 0.000 0.646 40 V HN 0.021 nan 8.190 nan 0.000 0.447 41 V N 1.755 121.746 119.914 0.128 0.000 2.255 41 V HA -0.299 3.821 4.120 0.000 0.000 0.247 41 V C 2.724 178.877 176.094 0.098 0.000 1.051 41 V CA 2.922 65.305 62.300 0.139 0.000 1.018 41 V CB -1.375 30.584 31.823 0.227 0.000 0.641 41 V HN 0.777 nan 8.190 nan 0.000 0.445 42 N N 0.091 118.848 118.700 0.094 0.000 2.104 42 N HA -0.206 4.535 4.740 0.000 0.000 0.190 42 N C 1.954 177.495 175.510 0.052 0.000 1.024 42 N CA 1.830 54.919 53.050 0.064 0.000 0.853 42 N CB -0.196 38.329 38.487 0.062 0.000 1.008 42 N HN 0.401 nan 8.380 nan 0.000 0.424 43 R N -0.304 120.231 120.500 0.058 0.000 2.066 43 R HA 0.054 4.394 4.340 0.000 0.000 0.232 43 R C 2.308 178.638 176.300 0.050 0.000 1.131 43 R CA 1.355 57.484 56.100 0.049 0.000 0.955 43 R CB -0.330 29.999 30.300 0.049 0.000 0.851 43 R HN 0.312 nan 8.270 nan 0.000 0.432 44 I N 0.163 120.773 120.570 0.066 0.000 2.142 44 I HA -0.289 3.881 4.170 0.000 0.000 0.240 44 I C 2.160 178.305 176.117 0.046 0.000 1.078 44 I CA 1.512 62.856 61.300 0.074 0.000 1.343 44 I CB -0.523 37.544 38.000 0.112 0.000 1.046 44 I HN 0.200 nan 8.210 nan 0.000 0.405 45 T N 0.071 114.644 114.554 0.032 0.000 2.665 45 T HA -0.201 4.149 4.350 0.000 0.000 0.268 45 T C 1.959 176.665 174.700 0.009 0.000 1.035 45 T CA 1.936 64.040 62.100 0.007 0.000 1.151 45 T CB -0.316 68.552 68.868 0.000 0.000 0.862 45 T HN 0.251 nan 8.240 nan 0.000 0.438 46 S N 1.309 117.019 115.700 0.017 0.000 2.537 46 S HA -0.013 4.457 4.470 0.000 0.000 0.240 46 S C 1.238 175.846 174.600 0.013 0.000 0.981 46 S CA 0.706 58.915 58.200 0.014 0.000 0.948 46 S CB -0.284 62.927 63.200 0.018 0.000 0.759 46 S HN 0.543 nan 8.310 nan 0.000 0.531 47 N N -0.239 118.472 118.700 0.017 0.000 2.194 47 N HA 0.380 5.120 4.740 0.000 0.000 0.231 47 N C 1.207 176.727 175.510 0.016 0.000 1.247 47 N CA 0.346 53.406 53.050 0.016 0.000 0.884 47 N CB 0.376 38.874 38.487 0.018 0.000 1.146 47 N HN 0.216 nan 8.380 nan 0.000 0.516 48 A N 0.570 123.398 122.820 0.013 0.000 1.892 48 A HA -0.236 4.084 4.320 0.000 0.000 0.218 48 A C 2.144 179.734 177.584 0.009 0.000 1.188 48 A CA 2.322 54.365 52.037 0.011 0.000 0.631 48 A CB -0.687 18.309 19.000 -0.007 0.000 0.822 48 A HN 0.377 nan 8.150 nan 0.000 0.447 49 S N -0.515 115.189 115.700 0.006 0.000 2.436 49 S HA -0.121 4.349 4.470 0.000 0.000 0.228 49 S C 1.961 176.565 174.600 0.007 0.000 1.014 49 S CA 1.564 59.768 58.200 0.007 0.000 0.950 49 S CB -1.078 62.126 63.200 0.006 0.000 0.784 49 S HN 0.854 nan 8.310 nan 0.000 0.504 50 T N 1.378 115.936 114.554 0.006 0.000 2.812 50 T HA 0.106 4.456 4.350 0.000 0.000 0.264 50 T C 1.788 176.487 174.700 -0.001 0.000 1.042 50 T CA 0.731 62.832 62.100 0.003 0.000 1.140 50 T CB -0.861 68.008 68.868 0.002 0.000 0.870 50 T HN 0.338 nan 8.240 nan 0.000 0.445 51 I N 1.079 121.651 120.570 0.004 0.000 2.145 51 I HA -0.193 3.977 4.170 0.000 0.000 0.244 51 I C 2.730 178.846 176.117 -0.000 0.000 1.075 51 I CA 1.300 62.602 61.300 0.004 0.000 1.332 51 I CB -0.433 37.583 38.000 0.028 0.000 1.033 51 I HN 0.157 nan 8.210 nan 0.000 0.410 52 V N 0.504 120.423 119.914 0.008 0.000 2.323 52 V HA -0.240 3.880 4.120 0.000 0.000 0.244 52 V C 2.590 178.674 176.094 -0.017 0.000 1.041 52 V CA 2.132 64.434 62.300 0.003 0.000 1.025 52 V CB -0.620 31.212 31.823 0.015 0.000 0.656 52 V HN 0.610 nan 8.190 nan 0.000 0.451 53 S N 0.668 116.364 115.700 -0.006 0.000 2.355 53 S HA -0.215 4.255 4.470 0.000 0.000 0.222 53 S C 1.842 176.425 174.600 -0.027 0.000 1.031 53 S CA 1.554 59.752 58.200 -0.003 0.000 0.993 53 S CB -0.722 62.486 63.200 0.013 0.000 0.859 53 S HN 0.564 nan 8.310 nan 0.000 0.453 54 N N 2.961 121.644 118.700 -0.028 0.000 2.069 54 N HA -0.020 4.720 4.740 0.000 0.000 0.191 54 N C 2.023 177.487 175.510 -0.076 0.000 1.031 54 N CA 1.713 54.738 53.050 -0.041 0.000 0.852 54 N CB -1.091 37.377 38.487 -0.032 0.000 1.018 54 N HN 0.635 nan 8.380 nan 0.000 0.423 55 A N 0.876 123.645 122.820 -0.084 0.000 1.902 55 A HA 0.034 4.354 4.320 0.000 0.000 0.217 55 A C 2.383 179.838 177.584 -0.215 0.000 1.181 55 A CA 2.001 53.967 52.037 -0.118 0.000 0.623 55 A CB -0.859 18.089 19.000 -0.087 0.000 0.818 55 A HN 0.336 nan 8.150 nan 0.000 0.443 56 A N -0.207 122.465 122.820 -0.247 0.000 1.877 56 A HA -0.169 4.151 4.320 0.000 0.000 0.216 56 A C 2.234 179.401 177.584 -0.695 0.000 1.186 56 A CA 1.839 53.562 52.037 -0.523 0.000 0.620 56 A CB -0.567 18.254 19.000 -0.298 0.000 0.822 56 A HN 0.568 nan 8.150 nan 0.000 0.443 57 R N -0.321 120.022 120.500 -0.262 0.000 2.094 57 R HA -0.181 4.159 4.340 0.000 0.000 0.239 57 R C 2.511 178.740 176.300 -0.119 0.000 1.137 57 R CA 2.154 58.202 56.100 -0.087 0.000 0.943 57 R CB -0.477 29.822 30.300 -0.000 0.000 0.850 57 R HN 0.505 nan 8.270 nan 0.000 0.433 58 S N 0.158 115.773 115.700 -0.141 0.000 2.356 58 S HA -0.161 4.309 4.470 0.000 0.000 0.223 58 S C 1.941 176.466 174.600 -0.124 0.000 1.032 58 S CA 1.385 59.526 58.200 -0.099 0.000 1.005 58 S CB -0.412 62.732 63.200 -0.092 0.000 0.867 58 S HN 0.395 nan 8.310 nan 0.000 0.449 59 L N 0.814 121.891 121.223 -0.243 0.000 2.043 59 L HA -0.031 4.309 4.340 0.000 0.000 0.212 59 L C 1.888 178.695 176.870 -0.106 0.000 1.075 59 L CA 2.091 56.795 54.840 -0.227 0.000 0.752 59 L CB -1.039 40.807 42.059 -0.356 0.000 0.891 59 L HN 0.355 nan 8.230 nan 0.000 0.432 60 F N 0.050 120.000 119.950 0.001 0.000 2.234 60 F HA 0.033 4.560 4.527 0.000 0.000 0.299 60 F C 2.565 178.366 175.800 0.002 0.000 1.087 60 F CA 0.657 58.659 58.000 0.003 0.000 1.340 60 F CB -1.735 37.271 39.000 0.009 0.000 1.031 60 F HN 0.206 nan 8.300 nan 0.000 0.500 61 A N 0.098 123.001 122.820 0.138 0.000 1.902 61 A HA -0.178 4.142 4.320 0.000 0.000 0.217 61 A C 2.170 179.787 177.584 0.055 0.000 1.181 61 A CA 1.635 53.720 52.037 0.080 0.000 0.623 61 A CB -0.705 18.321 19.000 0.045 0.000 0.818 61 A HN 0.414 nan 8.150 nan 0.000 0.443 62 E N -0.663 119.558 120.200 0.036 0.000 2.152 62 E HA -0.107 4.243 4.350 0.000 0.000 0.192 62 E C 0.415 177.037 176.600 0.036 0.000 0.983 62 E CA 0.770 57.183 56.400 0.022 0.000 0.818 62 E CB 0.007 29.707 29.700 0.000 0.000 0.758 62 E HN 0.669 nan 8.360 nan 0.000 0.467 63 Q N 0.050 119.890 119.800 0.067 0.000 3.075 63 Q HA 0.121 4.461 4.340 0.000 0.000 0.318 63 Q C -2.103 173.953 176.000 0.093 0.000 0.907 63 Q CA -1.336 54.511 55.803 0.072 0.000 0.882 63 Q CB 1.351 30.134 28.738 0.074 0.000 1.386 63 Q HN 0.078 nan 8.270 nan 0.000 0.408 64 P HA -0.234 nan 4.420 nan 0.000 0.225 64 P C 1.200 178.512 177.300 0.021 0.000 1.148 64 P CA 1.095 64.226 63.100 0.052 0.000 0.779 64 P CB 0.299 32.017 31.700 0.030 0.000 0.780 65 Q N 0.210 120.021 119.800 0.018 0.000 2.291 65 Q HA -0.114 4.226 4.340 0.000 0.000 0.206 65 Q C 2.059 178.057 176.000 -0.002 0.000 0.976 65 Q CA 1.144 56.946 55.803 -0.002 0.000 0.875 65 Q CB -1.446 27.291 28.738 -0.001 0.000 0.927 65 Q HN 0.309 nan 8.270 nan 0.000 0.450 66 L N 0.775 122.012 121.223 0.024 0.000 2.131 66 L HA -0.069 4.271 4.340 0.000 0.000 0.210 66 L C 2.333 179.173 176.870 -0.049 0.000 1.092 66 L CA 1.370 56.222 54.840 0.021 0.000 0.759 66 L CB -0.254 41.876 42.059 0.117 0.000 0.903 66 L HN 0.334 nan 8.230 nan 0.000 0.435 67 I N -4.525 115.996 120.570 -0.081 0.000 4.227 67 I HA 0.362 4.532 4.170 0.000 0.000 0.334 67 I C 1.075 177.169 176.117 -0.038 0.000 1.341 67 I CA -0.537 60.696 61.300 -0.111 0.000 1.123 67 I CB -0.018 37.828 38.000 -0.258 0.000 1.097 67 I HN -0.096 nan 8.210 nan 0.000 0.399 68 A N 3.103 125.882 122.820 -0.069 0.000 2.561 68 A HA 0.288 4.608 4.320 0.000 0.000 0.234 68 A C -2.218 175.193 177.584 -0.289 0.000 1.055 68 A CA -0.564 51.393 52.037 -0.134 0.000 0.756 68 A CB -0.888 18.052 19.000 -0.100 0.000 0.986 68 A HN 0.163 nan 8.150 nan 0.000 0.505 69 P HA 0.200 nan 4.420 nan 0.000 0.263 69 P C 1.156 178.140 177.300 -0.527 0.000 1.175 69 P CA 1.907 64.297 63.100 -1.184 0.000 0.761 69 P CB 0.524 31.683 31.700 -0.902 0.000 0.794 70 G N 1.513 110.100 108.800 -0.355 0.000 2.258 70 G HA2 -0.164 3.796 3.960 0.000 0.000 0.233 70 G HA3 -0.164 3.796 3.960 0.000 0.000 0.233 70 G C 0.634 175.526 174.900 -0.014 0.000 1.006 70 G CA -0.127 44.917 45.100 -0.093 0.000 0.620 70 G HN 0.896 nan 8.290 nan 0.000 0.511 71 G N -0.519 108.272 108.800 -0.015 0.000 2.572 71 G HA2 0.430 4.390 3.960 0.000 0.000 0.261 71 G HA3 0.430 4.390 3.960 0.000 0.000 0.261 71 G C 0.763 175.698 174.900 0.059 0.000 1.197 71 G CA 0.462 45.572 45.100 0.018 0.000 0.870 71 G HN 0.304 nan 8.290 nan 0.000 0.548 72 N N 0.041 118.760 118.700 0.033 0.000 2.453 72 N HA -0.070 4.670 4.740 0.000 0.000 0.183 72 N C 1.577 177.102 175.510 0.025 0.000 1.041 72 N CA 0.731 53.800 53.050 0.031 0.000 0.900 72 N CB 0.045 38.539 38.487 0.011 0.000 0.961 72 N HN 0.438 nan 8.380 nan 0.000 0.443 73 A N -0.331 122.492 122.820 0.005 0.000 2.594 73 A HA 0.107 4.427 4.320 0.000 0.000 0.287 73 A C -0.304 177.236 177.584 -0.073 0.000 1.227 73 A CA -0.543 51.460 52.037 -0.057 0.000 0.952 73 A CB -0.159 18.754 19.000 -0.145 0.000 1.161 73 A HN 0.388 nan 8.150 nan 0.000 0.524 74 Y N 1.887 122.119 120.300 -0.112 0.000 2.307 74 Y HA 0.450 5.000 4.550 0.000 0.000 0.324 74 Y C 0.629 176.488 175.900 -0.069 0.000 1.238 74 Y CA 0.545 58.584 58.100 -0.101 0.000 1.280 74 Y CB 0.674 39.088 38.460 -0.077 0.000 1.248 74 Y HN 0.869 nan 8.280 nan 0.000 0.508 75 T N 0.883 114.828 114.554 -1.015 0.000 0.541 75 T HA -0.181 4.169 4.350 0.000 0.000 0.774 75 T C 0.353 174.852 174.700 -0.335 0.000 0.992 75 T CA 0.106 61.771 62.100 -0.725 0.000 4.077 75 T CB -1.696 66.872 68.868 -0.500 0.000 2.303 75 T HN 0.809 nan 8.240 nan 0.000 0.398 76 S N 0.841 116.398 115.700 -0.238 0.000 2.383 76 S HA -0.093 4.377 4.470 0.000 0.000 0.227 76 S C 2.285 176.829 174.600 -0.094 0.000 1.026 76 S CA 1.785 59.903 58.200 -0.136 0.000 0.981 76 S CB -0.640 62.500 63.200 -0.100 0.000 0.818 76 S HN 1.102 nan 8.310 nan 0.000 0.472 77 T N 1.840 116.338 114.554 -0.093 0.000 2.720 77 T HA -0.112 4.238 4.350 0.000 0.000 0.268 77 T C 1.914 176.591 174.700 -0.040 0.000 1.037 77 T CA 1.202 63.270 62.100 -0.053 0.000 1.144 77 T CB -0.129 68.714 68.868 -0.043 0.000 0.864 77 T HN 0.333 nan 8.240 nan 0.000 0.444 78 R N -0.347 120.116 120.500 -0.062 0.000 2.075 78 R HA 0.083 4.423 4.340 0.000 0.000 0.226 78 R C 2.443 178.730 176.300 -0.021 0.000 1.114 78 R CA 1.299 57.379 56.100 -0.032 0.000 0.972 78 R CB -0.496 29.782 30.300 -0.037 0.000 0.869 78 R HN 0.375 nan 8.270 nan 0.000 0.437 79 M N 1.440 121.005 119.600 -0.059 0.000 2.080 79 M HA -0.099 4.381 4.480 0.000 0.000 0.260 79 M C 2.155 178.468 176.300 0.022 0.000 1.068 79 M CA 1.781 57.058 55.300 -0.039 0.000 1.109 79 M CB -0.554 31.994 32.600 -0.086 0.000 1.342 79 M HN 0.120 nan 8.290 nan 0.000 0.405 80 A N -0.113 122.710 122.820 0.005 0.000 1.892 80 A HA -0.051 4.270 4.320 0.000 0.000 0.218 80 A C 2.433 180.041 177.584 0.040 0.000 1.188 80 A CA 2.657 54.707 52.037 0.022 0.000 0.631 80 A CB -1.627 17.376 19.000 0.005 0.000 0.822 80 A HN 0.703 nan 8.150 nan 0.000 0.447 81 A N -1.271 121.571 122.820 0.037 0.000 1.908 81 A HA -0.222 4.098 4.320 0.000 0.000 0.218 81 A C 2.441 180.076 177.584 0.085 0.000 1.181 81 A CA 1.855 53.926 52.037 0.057 0.000 0.627 81 A CB -1.409 17.623 19.000 0.054 0.000 0.818 81 A HN 0.863 nan 8.150 nan 0.000 0.445 82 C N -0.528 118.827 119.300 0.091 0.000 2.453 82 C HA 0.011 4.471 4.460 0.000 0.000 0.277 82 C C 2.620 177.689 174.990 0.130 0.000 1.262 82 C CA 1.085 60.177 59.018 0.124 0.000 1.718 82 C CB -1.573 26.265 27.740 0.163 0.000 2.031 82 C HN 0.586 nan 8.230 nan 0.000 0.480 83 L N 0.696 121.998 121.223 0.132 0.000 2.079 83 L HA -0.158 4.182 4.340 0.000 0.000 0.210 83 L C 3.024 179.939 176.870 0.075 0.000 1.081 83 L CA 1.927 56.829 54.840 0.103 0.000 0.752 83 L CB -0.877 41.239 42.059 0.096 0.000 0.896 83 L HN 0.408 nan 8.230 nan 0.000 0.433 84 R N 0.218 120.760 120.500 0.071 0.000 2.127 84 R HA -0.188 4.152 4.340 0.000 0.000 0.238 84 R C 1.600 177.944 176.300 0.073 0.000 1.134 84 R CA 1.882 58.018 56.100 0.060 0.000 0.975 84 R CB -0.120 30.212 30.300 0.054 0.000 0.865 84 R HN 0.357 nan 8.270 nan 0.000 0.447 85 D N -0.161 120.297 120.400 0.097 0.000 2.162 85 D HA -0.097 4.543 4.640 0.000 0.000 0.203 85 D C 1.968 178.332 176.300 0.107 0.000 0.967 85 D CA 0.859 54.931 54.000 0.122 0.000 0.840 85 D CB -0.020 40.894 40.800 0.189 0.000 0.972 85 D HN 0.153 nan 8.370 nan 0.000 0.482 86 M N 0.349 120.002 119.600 0.090 0.000 2.080 86 M HA -0.159 4.321 4.480 0.000 0.000 0.260 86 M C 2.182 178.517 176.300 0.059 0.000 1.068 86 M CA 1.302 56.645 55.300 0.072 0.000 1.109 86 M CB -0.812 31.817 32.600 0.049 0.000 1.342 86 M HN 0.124 nan 8.290 nan 0.000 0.405 87 E N 0.754 120.979 120.200 0.043 0.000 2.051 87 E HA -0.166 4.184 4.350 0.000 0.000 0.192 87 E C 2.019 178.616 176.600 -0.006 0.000 0.991 87 E CA 1.109 57.518 56.400 0.014 0.000 0.799 87 E CB -0.041 29.665 29.700 0.009 0.000 0.748 87 E HN 0.447 nan 8.360 nan 0.000 0.449 88 I N 0.804 121.393 120.570 0.031 0.000 2.151 88 I HA -0.329 3.841 4.170 0.000 0.000 0.243 88 I C 2.401 178.583 176.117 0.108 0.000 1.080 88 I CA 1.218 62.558 61.300 0.067 0.000 1.339 88 I CB -0.263 37.816 38.000 0.132 0.000 1.039 88 I HN 0.234 nan 8.210 nan 0.000 0.409 89 I N -0.052 120.574 120.570 0.093 0.000 2.163 89 I HA -0.316 3.855 4.170 0.000 0.000 0.243 89 I C 2.503 178.613 176.117 -0.012 0.000 1.085 89 I CA 1.238 62.582 61.300 0.073 0.000 1.347 89 I CB -0.356 37.692 38.000 0.079 0.000 1.044 89 I HN 0.233 nan 8.210 nan 0.000 0.408 90 L N 1.053 122.267 121.223 -0.015 0.000 2.042 90 L HA -0.228 4.112 4.340 0.000 0.000 0.210 90 L C 2.632 179.389 176.870 -0.189 0.000 1.076 90 L CA 1.782 56.586 54.840 -0.060 0.000 0.749 90 L CB -0.652 41.422 42.059 0.025 0.000 0.893 90 L HN 0.104 nan 8.230 nan 0.000 0.432 91 R N -1.707 118.640 120.500 -0.255 0.000 2.097 91 R HA -0.264 4.076 4.340 0.000 0.000 0.236 91 R C 2.327 178.118 176.300 -0.849 0.000 1.135 91 R CA 2.482 58.246 56.100 -0.559 0.000 0.934 91 R CB -0.730 29.198 30.300 -0.620 0.000 0.846 91 R HN 0.421 nan 8.270 nan 0.000 0.431 92 Y N -0.029 119.956 120.300 -0.525 0.000 2.224 92 Y HA -0.204 4.346 4.550 0.000 0.000 0.289 92 Y C 2.345 178.065 175.900 -0.300 0.000 1.146 92 Y CA 1.346 59.212 58.100 -0.390 0.000 1.182 92 Y CB -0.400 37.955 38.460 -0.175 0.000 0.983 92 Y HN -0.069 nan 8.280 nan 0.000 0.524 93 V N -0.125 119.671 119.914 -0.196 0.000 2.282 93 V HA -0.373 3.747 4.120 0.000 0.000 0.249 93 V C 2.568 178.519 176.094 -0.237 0.000 1.057 93 V CA 2.569 64.683 62.300 -0.309 0.000 1.032 93 V CB -1.352 30.091 31.823 -0.634 0.000 0.645 93 V HN 0.664 nan 8.190 nan 0.000 0.447 94 T N -2.215 112.208 114.554 -0.218 0.000 2.788 94 T HA -0.241 4.109 4.350 0.000 0.000 0.268 94 T C 1.837 176.559 174.700 0.037 0.000 1.044 94 T CA 1.630 63.678 62.100 -0.086 0.000 1.139 94 T CB -0.517 68.299 68.868 -0.087 0.000 0.867 94 T HN 0.393 nan 8.240 nan 0.000 0.454 95 Y N 2.478 122.712 120.300 -0.109 0.000 2.053 95 Y HA 0.067 4.617 4.550 0.000 0.000 0.277 95 Y C 3.240 179.121 175.900 -0.032 0.000 1.159 95 Y CA 0.244 58.302 58.100 -0.070 0.000 1.125 95 Y CB -1.666 36.736 38.460 -0.097 0.000 0.969 95 Y HN 0.370 nan 8.280 nan 0.000 0.492 96 A N 0.017 122.825 122.820 -0.021 0.000 1.892 96 A HA -0.206 4.114 4.320 0.000 0.000 0.218 96 A C 2.561 179.948 177.584 -0.328 0.000 1.188 96 A CA 2.513 54.337 52.037 -0.354 0.000 0.631 96 A CB -1.337 17.121 19.000 -0.903 0.000 0.822 96 A HN 0.260 nan 8.150 nan 0.000 0.447 97 V N -1.250 118.569 119.914 -0.157 0.000 2.282 97 V HA -0.298 3.822 4.120 0.000 0.000 0.249 97 V C 2.314 178.515 176.094 0.178 0.000 1.057 97 V CA 2.377 64.777 62.300 0.167 0.000 1.032 97 V CB -1.015 30.931 31.823 0.206 0.000 0.645 97 V HN 0.661 nan 8.190 nan 0.000 0.447 98 F N 1.270 121.246 119.950 0.044 0.000 2.134 98 F HA -0.105 4.422 4.527 0.000 0.000 0.299 98 F C 2.209 178.036 175.800 0.045 0.000 1.097 98 F CA 1.589 59.621 58.000 0.054 0.000 1.264 98 F CB -0.323 38.716 39.000 0.065 0.000 1.001 98 F HN 0.066 nan 8.300 nan 0.000 0.479 99 A N -0.074 122.862 122.820 0.194 0.000 2.016 99 A HA 0.271 4.591 4.320 0.000 0.000 0.217 99 A C 1.812 179.397 177.584 0.003 0.000 1.162 99 A CA 0.859 52.946 52.037 0.083 0.000 0.662 99 A CB -1.360 17.731 19.000 0.150 0.000 0.812 99 A HN 1.059 nan 8.150 nan 0.000 0.450 100 G N -0.779 108.038 108.800 0.028 0.000 2.225 100 G HA2 -0.116 3.844 3.960 0.000 0.000 0.264 100 G HA3 -0.116 3.844 3.960 0.000 0.000 0.264 100 G C -0.320 174.635 174.900 0.092 0.000 1.060 100 G CA 0.635 45.769 45.100 0.057 0.000 0.833 100 G HN 0.922 nan 8.290 nan 0.000 0.498 101 D N -2.204 118.253 120.400 0.094 0.000 2.787 101 D HA 0.607 5.247 4.640 0.000 0.000 0.215 101 D C 0.793 177.112 176.300 0.032 0.000 1.246 101 D CA 0.403 54.474 54.000 0.120 0.000 0.798 101 D CB 0.286 41.161 40.800 0.124 0.000 1.649 101 D HN 0.626 nan 8.370 nan 0.000 0.507 102 A N 1.835 124.723 122.820 0.114 0.000 2.167 102 A HA 0.025 4.345 4.320 0.000 0.000 0.214 102 A C 1.962 179.560 177.584 0.023 0.000 1.151 102 A CA 1.435 53.485 52.037 0.021 0.000 0.735 102 A CB -0.615 18.515 19.000 0.216 0.000 0.802 102 A HN 0.599 nan 8.150 nan 0.000 0.467 103 S N -0.059 115.690 115.700 0.081 0.000 2.365 103 S HA -0.210 4.260 4.470 0.000 0.000 0.225 103 S C 1.822 176.434 174.600 0.020 0.000 1.039 103 S CA 1.405 59.651 58.200 0.077 0.000 1.033 103 S CB -1.301 61.982 63.200 0.138 0.000 0.887 103 S HN 0.630 nan 8.310 nan 0.000 0.447 104 V N 1.751 121.684 119.914 0.031 0.000 2.324 104 V HA -0.161 3.959 4.120 0.000 0.000 0.250 104 V C 2.369 178.503 176.094 0.067 0.000 1.060 104 V CA 2.257 64.600 62.300 0.071 0.000 1.042 104 V CB -0.673 31.237 31.823 0.144 0.000 0.650 104 V HN 0.577 nan 8.190 nan 0.000 0.450 105 L N 0.155 121.401 121.223 0.038 0.000 2.027 105 L HA -0.065 4.275 4.340 0.000 0.000 0.206 105 L C 2.484 179.301 176.870 -0.088 0.000 1.074 105 L CA 2.118 56.943 54.840 -0.025 0.000 0.745 105 L CB -1.007 41.021 42.059 -0.051 0.000 0.898 105 L HN 0.313 nan 8.230 nan 0.000 0.433 106 E N 0.256 120.433 120.200 -0.040 0.000 2.038 106 E HA -0.214 4.136 4.350 0.000 0.000 0.195 106 E C 1.945 178.502 176.600 -0.071 0.000 1.000 106 E CA 1.701 58.080 56.400 -0.035 0.000 0.803 106 E CB -0.411 29.294 29.700 0.009 0.000 0.750 106 E HN 0.593 nan 8.360 nan 0.000 0.448 107 D N -0.152 120.206 120.400 -0.070 0.000 2.123 107 D HA -0.050 4.590 4.640 0.000 0.000 0.200 107 D C 1.793 178.019 176.300 -0.124 0.000 0.976 107 D CA 0.865 54.818 54.000 -0.080 0.000 0.831 107 D CB -0.053 40.705 40.800 -0.070 0.000 0.974 107 D HN 0.111 nan 8.370 nan 0.000 0.469 108 R N -1.030 119.359 120.500 -0.185 0.000 2.365 108 R HA 0.241 4.581 4.340 0.000 0.000 0.223 108 R C 1.384 177.386 176.300 -0.496 0.000 0.899 108 R CA -0.005 55.941 56.100 -0.258 0.000 1.059 108 R CB 0.616 30.830 30.300 -0.145 0.000 1.086 108 R HN 0.176 nan 8.270 nan 0.000 0.522 109 C N -0.773 118.214 119.300 -0.522 0.000 2.646 109 C HA 0.293 4.753 4.460 0.000 0.000 0.428 109 C C 1.979 176.805 174.990 -0.273 0.000 1.492 109 C CA -0.173 58.513 59.018 -0.554 0.000 2.538 109 C CB -0.331 26.897 27.740 -0.853 0.000 2.609 109 C HN 0.322 nan 8.230 nan 0.000 0.594 110 L N 1.552 122.659 121.223 -0.194 0.000 2.162 110 L HA 0.097 4.437 4.340 0.000 0.000 0.205 110 L C 1.148 177.960 176.870 -0.096 0.000 1.086 110 L CA 0.789 55.562 54.840 -0.111 0.000 0.778 110 L CB -0.821 41.203 42.059 -0.059 0.000 0.928 110 L HN 0.515 nan 8.230 nan 0.000 0.446 111 N N 0.890 119.533 118.700 -0.095 0.000 2.417 111 N HA -0.034 4.706 4.740 0.000 0.000 0.272 111 N C 0.913 176.372 175.510 -0.085 0.000 1.304 111 N CA 1.024 54.031 53.050 -0.072 0.000 0.906 111 N CB 0.635 39.084 38.487 -0.063 0.000 1.135 111 N HN 0.413 nan 8.380 nan 0.000 0.483 112 G N 3.051 111.808 108.800 -0.071 0.000 2.213 112 G HA2 -0.277 3.683 3.960 0.000 0.000 0.236 112 G HA3 -0.277 3.683 3.960 0.000 0.000 0.236 112 G C 0.720 175.552 174.900 -0.115 0.000 0.991 112 G CA 0.260 45.313 45.100 -0.078 0.000 0.629 112 G HN 0.554 nan 8.290 nan 0.000 0.517 113 L N 1.302 122.439 121.223 -0.144 0.000 2.027 113 L HA 0.230 4.570 4.340 0.000 0.000 0.206 113 L C 2.752 179.496 176.870 -0.210 0.000 1.074 113 L CA 2.973 57.664 54.840 -0.247 0.000 0.745 113 L CB -0.651 41.266 42.059 -0.237 0.000 0.898 113 L HN 0.435 nan 8.230 nan 0.000 0.433 114 R N -0.600 119.864 120.500 -0.060 0.000 2.119 114 R HA -0.256 4.085 4.340 0.000 0.000 0.246 114 R C 1.995 178.311 176.300 0.028 0.000 1.146 114 R CA 2.081 58.201 56.100 0.034 0.000 0.962 114 R CB -0.134 30.190 30.300 0.040 0.000 0.863 114 R HN 0.409 nan 8.270 nan 0.000 0.442 115 E N -0.554 119.635 120.200 -0.019 0.000 2.072 115 E HA -0.093 4.257 4.350 0.000 0.000 0.191 115 E C 1.976 178.564 176.600 -0.020 0.000 0.985 115 E CA 1.951 58.344 56.400 -0.011 0.000 0.801 115 E CB -0.243 29.444 29.700 -0.023 0.000 0.750 115 E HN 0.362 nan 8.360 nan 0.000 0.452 116 T N 0.364 114.864 114.554 -0.090 0.000 2.708 116 T HA -0.167 4.183 4.350 0.000 0.000 0.266 116 T C 1.371 176.061 174.700 -0.016 0.000 1.037 116 T CA 1.349 63.383 62.100 -0.108 0.000 1.146 116 T CB -0.466 68.260 68.868 -0.238 0.000 0.865 116 T HN 0.123 nan 8.240 nan 0.000 0.435 117 Y N 1.070 121.375 120.300 0.009 0.000 2.145 117 Y HA -0.017 4.533 4.550 0.000 0.000 0.286 117 Y C 2.418 178.327 175.900 0.014 0.000 1.145 117 Y CA -0.261 57.848 58.100 0.014 0.000 1.148 117 Y CB -1.109 37.361 38.460 0.017 0.000 0.981 117 Y HN 0.053 nan 8.280 nan 0.000 0.507 118 L N -0.025 121.301 121.223 0.171 0.000 1.997 118 L HA -0.290 4.051 4.340 0.000 0.000 0.216 118 L C 2.471 179.386 176.870 0.076 0.000 1.074 118 L CA 2.315 57.214 54.840 0.099 0.000 0.763 118 L CB -1.656 40.442 42.059 0.065 0.000 0.890 118 L HN 0.268 nan 8.230 nan 0.000 0.434 119 A N -0.929 121.928 122.820 0.062 0.000 1.908 119 A HA -0.216 4.104 4.320 0.000 0.000 0.218 119 A C 2.342 179.959 177.584 0.054 0.000 1.181 119 A CA 1.856 53.920 52.037 0.045 0.000 0.627 119 A CB -0.618 18.399 19.000 0.028 0.000 0.818 119 A HN 0.489 nan 8.150 nan 0.000 0.445 120 L N -2.085 119.187 121.223 0.082 0.000 2.179 120 L HA 0.137 4.477 4.340 0.000 0.000 0.208 120 L C 1.846 178.759 176.870 0.073 0.000 1.096 120 L CA 0.835 55.726 54.840 0.085 0.000 0.779 120 L CB -0.197 41.942 42.059 0.134 0.000 0.922 120 L HN 0.626 nan 8.230 nan 0.000 0.443 121 G N -0.387 108.459 108.800 0.076 0.000 2.144 121 G HA2 -0.214 3.746 3.960 0.000 0.000 0.218 121 G HA3 -0.214 3.746 3.960 0.000 0.000 0.218 121 G C 0.239 175.159 174.900 0.034 0.000 0.988 121 G CA 0.045 45.175 45.100 0.050 0.000 0.659 121 G HN 0.216 nan 8.290 nan 0.000 0.522 122 T N 3.215 117.794 114.554 0.041 0.000 2.832 122 T HA 0.511 4.861 4.350 0.000 0.000 0.296 122 T C -2.098 172.528 174.700 -0.122 0.000 0.968 122 T CA -0.515 61.545 62.100 -0.067 0.000 1.107 122 T CB 1.821 70.598 68.868 -0.151 0.000 0.916 122 T HN 0.175 nan 8.240 nan 0.000 0.517 123 P HA 0.231 nan 4.420 nan 0.000 0.284 123 P C 1.104 178.308 177.300 -0.160 0.000 1.343 123 P CA -0.301 62.741 63.100 -0.096 0.000 0.826 123 P CB 0.743 32.412 31.700 -0.051 0.000 0.956 124 G N 3.661 112.395 108.800 -0.111 0.000 2.446 124 G HA2 -0.304 3.656 3.960 0.000 0.000 0.217 124 G HA3 -0.304 3.656 3.960 0.000 0.000 0.217 124 G C 1.563 176.438 174.900 -0.042 0.000 1.168 124 G CA 1.128 46.184 45.100 -0.074 0.000 0.771 124 G HN 0.523 nan 8.290 nan 0.000 0.551 125 S N 0.593 116.282 115.700 -0.018 0.000 2.387 125 S HA -0.143 4.327 4.470 0.000 0.000 0.230 125 S C 2.421 177.012 174.600 -0.015 0.000 1.035 125 S CA 1.842 60.039 58.200 -0.004 0.000 1.014 125 S CB -0.485 62.715 63.200 -0.000 0.000 0.836 125 S HN 0.261 nan 8.310 nan 0.000 0.466 126 S N 1.504 117.183 115.700 -0.035 0.000 2.348 126 S HA -0.036 4.434 4.470 0.000 0.000 0.221 126 S C 2.043 176.618 174.600 -0.041 0.000 1.033 126 S CA 1.300 59.480 58.200 -0.032 0.000 1.010 126 S CB -0.676 62.505 63.200 -0.032 0.000 0.891 126 S HN 0.457 nan 8.310 nan 0.000 0.442 127 V N 2.345 122.212 119.914 -0.079 0.000 2.324 127 V HA -0.258 3.862 4.120 0.000 0.000 0.250 127 V C 2.644 178.742 176.094 0.007 0.000 1.060 127 V CA 1.768 64.035 62.300 -0.055 0.000 1.042 127 V CB -1.370 30.392 31.823 -0.102 0.000 0.650 127 V HN 0.543 nan 8.190 nan 0.000 0.450 128 A N -0.155 122.675 122.820 0.017 0.000 1.908 128 A HA -0.181 4.139 4.320 0.000 0.000 0.218 128 A C 2.418 180.016 177.584 0.023 0.000 1.181 128 A CA 2.246 54.306 52.037 0.039 0.000 0.627 128 A CB -0.752 18.271 19.000 0.038 0.000 0.818 128 A HN 0.351 nan 8.150 nan 0.000 0.445 129 V N -0.077 119.837 119.914 0.000 0.000 2.295 129 V HA -0.206 3.914 4.120 0.000 0.000 0.246 129 V C 2.856 178.934 176.094 -0.027 0.000 1.049 129 V CA 2.041 64.332 62.300 -0.015 0.000 1.024 129 V CB -1.580 30.229 31.823 -0.022 0.000 0.648 129 V HN 0.622 nan 8.190 nan 0.000 0.447 130 G N -0.111 108.668 108.800 -0.036 0.000 2.476 130 G HA2 -0.245 3.715 3.960 0.000 0.000 0.218 130 G HA3 -0.245 3.715 3.960 0.000 0.000 0.218 130 G C 1.685 176.584 174.900 -0.002 0.000 1.164 130 G CA 1.395 46.466 45.100 -0.048 0.000 0.768 130 G HN 0.378 nan 8.290 nan 0.000 0.560 131 V N 1.774 121.718 119.914 0.049 0.000 2.287 131 V HA -0.122 3.998 4.120 0.000 0.000 0.248 131 V C 3.203 179.344 176.094 0.079 0.000 1.053 131 V CA 2.076 64.452 62.300 0.126 0.000 1.027 131 V CB -1.306 30.617 31.823 0.167 0.000 0.646 131 V HN 0.471 nan 8.190 nan 0.000 0.447 132 G N 0.073 108.889 108.800 0.027 0.000 2.624 132 G HA2 -0.356 3.604 3.960 0.000 0.000 0.221 132 G HA3 -0.356 3.604 3.960 0.000 0.000 0.221 132 G C 1.643 176.482 174.900 -0.102 0.000 1.169 132 G CA 1.498 46.577 45.100 -0.036 0.000 0.771 132 G HN 0.510 nan 8.290 nan 0.000 0.598 133 K N -0.438 119.913 120.400 -0.081 0.000 2.057 133 K HA 0.112 4.432 4.320 0.000 0.000 0.206 133 K C 2.758 179.278 176.600 -0.133 0.000 1.050 133 K CA 1.114 57.340 56.287 -0.101 0.000 0.935 133 K CB -0.236 32.212 32.500 -0.087 0.000 0.715 133 K HN 0.299 nan 8.250 nan 0.000 0.439 134 M N 1.124 120.660 119.600 -0.106 0.000 2.149 134 M HA -0.211 4.269 4.480 0.000 0.000 0.261 134 M C 2.366 178.426 176.300 -0.399 0.000 1.064 134 M CA 1.513 56.748 55.300 -0.107 0.000 1.102 134 M CB -0.243 32.410 32.600 0.088 0.000 1.369 134 M HN 0.070 nan 8.290 nan 0.000 0.408 135 K N 0.660 120.638 120.400 -0.703 0.000 2.063 135 K HA -0.207 4.113 4.320 0.000 0.000 0.208 135 K C 1.667 177.892 176.600 -0.625 0.000 1.048 135 K CA 1.599 57.108 56.287 -1.296 0.000 0.928 135 K CB -0.094 31.899 32.500 -0.844 0.000 0.713 135 K HN 0.416 nan 8.250 nan 0.000 0.442 136 E N -0.424 119.570 120.200 -0.343 0.000 2.072 136 E HA -0.147 4.203 4.350 0.000 0.000 0.191 136 E C 1.872 178.374 176.600 -0.164 0.000 0.985 136 E CA 0.978 57.257 56.400 -0.202 0.000 0.801 136 E CB -0.023 29.595 29.700 -0.136 0.000 0.750 136 E HN 0.426 nan 8.360 nan 0.000 0.452 137 A N 1.153 123.877 122.820 -0.159 0.000 1.929 137 A HA -0.020 4.300 4.320 0.000 0.000 0.216 137 A C 2.314 179.848 177.584 -0.083 0.000 1.176 137 A CA 1.409 53.388 52.037 -0.098 0.000 0.628 137 A CB -0.468 18.487 19.000 -0.075 0.000 0.816 137 A HN 0.305 nan 8.150 nan 0.000 0.444 138 A N 0.194 122.938 122.820 -0.126 0.000 1.851 138 A HA -0.113 4.207 4.320 0.000 0.000 0.216 138 A C 2.178 179.746 177.584 -0.026 0.000 1.195 138 A CA 1.625 53.639 52.037 -0.039 0.000 0.622 138 A CB -0.808 18.196 19.000 0.007 0.000 0.831 138 A HN 0.465 nan 8.150 nan 0.000 0.444 139 L N -0.781 120.391 121.223 -0.084 0.000 2.012 139 L HA -0.254 4.086 4.340 0.000 0.000 0.210 139 L C 3.139 179.995 176.870 -0.024 0.000 1.073 139 L CA 1.265 56.082 54.840 -0.039 0.000 0.748 139 L CB -0.699 41.319 42.059 -0.069 0.000 0.891 139 L HN 0.470 nan 8.230 nan 0.000 0.431 140 A N 0.113 122.909 122.820 -0.040 0.000 1.948 140 A HA -0.228 4.092 4.320 0.000 0.000 0.220 140 A C 2.213 179.791 177.584 -0.010 0.000 1.177 140 A CA 1.827 53.849 52.037 -0.026 0.000 0.636 140 A CB -0.710 18.270 19.000 -0.033 0.000 0.815 140 A HN 0.369 nan 8.150 nan 0.000 0.449 141 I N -0.781 119.786 120.570 -0.005 0.000 2.202 141 I HA -0.204 3.966 4.170 0.000 0.000 0.242 141 I C 2.396 178.525 176.117 0.021 0.000 1.091 141 I CA 1.073 62.379 61.300 0.010 0.000 1.368 141 I CB -0.194 37.816 38.000 0.017 0.000 1.058 141 I HN 0.172 nan 8.210 nan 0.000 0.410 142 V N 1.137 121.070 119.914 0.030 0.000 2.255 142 V HA -0.310 3.810 4.120 0.000 0.000 0.247 142 V C 1.907 178.017 176.094 0.026 0.000 1.051 142 V CA 2.036 64.360 62.300 0.039 0.000 1.018 142 V CB -0.798 31.059 31.823 0.056 0.000 0.641 142 V HN 0.482 nan 8.190 nan 0.000 0.445 143 N N -0.160 118.549 118.700 0.016 0.000 2.550 143 N HA -0.060 4.680 4.740 0.000 0.000 0.186 143 N C 0.671 176.186 175.510 0.007 0.000 1.110 143 N CA 0.287 53.343 53.050 0.010 0.000 0.912 143 N CB -0.423 38.065 38.487 0.002 0.000 0.968 143 N HN 0.480 nan 8.380 nan 0.000 0.448 144 D N 1.804 122.208 120.400 0.007 0.000 2.502 144 D HA -0.015 4.625 4.640 0.000 0.000 0.249 144 D C -1.412 174.893 176.300 0.008 0.000 1.188 144 D CA -1.226 52.777 54.000 0.006 0.000 0.890 144 D CB 1.216 42.020 40.800 0.007 0.000 1.140 144 D HN 0.106 nan 8.370 nan 0.000 0.505 145 P HA 0.064 nan 4.420 nan 0.000 0.225 145 P C -0.219 177.086 177.300 0.007 0.000 1.156 145 P CA 0.207 63.311 63.100 0.007 0.000 0.787 145 P CB 0.147 31.849 31.700 0.004 0.000 0.802 146 A N 0.372 123.196 122.820 0.007 0.000 2.511 146 A HA 0.438 4.759 4.320 0.000 0.000 0.242 146 A C 1.453 179.043 177.584 0.009 0.000 1.069 146 A CA 0.524 52.565 52.037 0.007 0.000 0.763 146 A CB -1.179 17.825 19.000 0.006 0.000 1.001 146 A HN 0.356 nan 8.150 nan 0.000 0.498 147 G N 0.576 109.381 108.800 0.009 0.000 2.198 147 G HA2 -0.190 3.770 3.960 0.000 0.000 0.260 147 G HA3 -0.190 3.770 3.960 0.000 0.000 0.260 147 G C -0.098 174.810 174.900 0.013 0.000 1.025 147 G CA 0.688 45.794 45.100 0.010 0.000 0.769 147 G HN 1.246 nan 8.290 nan 0.000 0.507 148 I N -0.791 119.786 120.570 0.012 0.000 3.006 148 I HA 0.409 4.580 4.170 0.000 0.000 0.306 148 I C 0.227 176.352 176.117 0.012 0.000 1.250 148 I CA -0.864 60.445 61.300 0.014 0.000 0.996 148 I CB 1.824 39.834 38.000 0.017 0.000 1.261 148 I HN 0.007 nan 8.210 nan 0.000 0.442 149 T N 6.042 120.604 114.554 0.013 0.000 2.829 149 T HA 0.203 4.553 4.350 0.000 0.000 0.293 149 T C -2.356 172.351 174.700 0.010 0.000 0.970 149 T CA -0.410 61.697 62.100 0.011 0.000 1.168 149 T CB -0.043 68.832 68.868 0.012 0.000 0.911 149 T HN 0.263 nan 8.240 nan 0.000 0.535 150 P HA 0.514 nan 4.420 nan 0.000 0.269 150 P C 0.226 177.531 177.300 0.007 0.000 1.209 150 P CA -0.108 62.997 63.100 0.008 0.000 0.776 150 P CB 0.736 32.440 31.700 0.006 0.000 0.876 151 G N 0.525 109.330 108.800 0.007 0.000 2.489 151 G HA2 0.402 4.362 3.960 0.000 0.000 0.305 151 G HA3 0.402 4.362 3.960 0.000 0.000 0.305 151 G C -2.015 172.889 174.900 0.006 0.000 1.311 151 G CA -0.540 44.564 45.100 0.007 0.000 0.813 151 G HN 0.483 nan 8.290 nan 0.000 0.480 152 D N -1.071 119.332 120.400 0.005 0.000 2.329 152 D HA 0.487 5.127 4.640 0.000 0.000 0.232 152 D C 0.461 176.764 176.300 0.005 0.000 1.088 152 D CA -0.379 53.623 54.000 0.004 0.000 0.835 152 D CB 1.033 41.834 40.800 0.001 0.000 1.078 152 D HN 0.326 nan 8.370 nan 0.000 0.495 153 C N 2.958 122.262 119.300 0.007 0.000 2.778 153 C HA 0.120 4.580 4.460 0.000 0.000 0.294 153 C C 2.178 177.173 174.990 0.008 0.000 1.331 153 C CA 0.259 59.283 59.018 0.011 0.000 1.741 153 C CB -1.667 26.083 27.740 0.017 0.000 2.106 153 C HN 0.771 nan 8.230 nan 0.000 0.603 154 S N 1.406 117.107 115.700 0.002 0.000 2.387 154 S HA -0.072 4.398 4.470 0.000 0.000 0.226 154 S C 2.026 176.622 174.600 -0.005 0.000 1.026 154 S CA 1.267 59.466 58.200 -0.001 0.000 0.972 154 S CB -0.317 62.880 63.200 -0.004 0.000 0.814 154 S HN 0.586 nan 8.310 nan 0.000 0.477 155 A N 1.766 124.581 122.820 -0.007 0.000 1.902 155 A HA 0.106 4.426 4.320 0.000 0.000 0.217 155 A C 2.215 179.789 177.584 -0.016 0.000 1.181 155 A CA 1.450 53.478 52.037 -0.015 0.000 0.623 155 A CB -0.890 18.101 19.000 -0.016 0.000 0.818 155 A HN 0.476 nan 8.150 nan 0.000 0.443 156 L N -0.112 121.110 121.223 -0.002 0.000 1.994 156 L HA -0.107 4.233 4.340 0.000 0.000 0.208 156 L C 2.822 179.702 176.870 0.017 0.000 1.071 156 L CA 2.199 57.046 54.840 0.012 0.000 0.745 156 L CB -1.010 41.065 42.059 0.028 0.000 0.892 156 L HN 0.374 nan 8.230 nan 0.000 0.431 157 A N -1.863 120.969 122.820 0.019 0.000 1.948 157 A HA -0.291 4.029 4.320 0.000 0.000 0.220 157 A C 2.556 180.145 177.584 0.007 0.000 1.177 157 A CA 2.216 54.267 52.037 0.024 0.000 0.636 157 A CB -1.143 17.864 19.000 0.013 0.000 0.815 157 A HN 0.532 nan 8.150 nan 0.000 0.449 158 S N -0.972 114.719 115.700 -0.015 0.000 2.356 158 S HA -0.213 4.257 4.470 0.000 0.000 0.223 158 S C 2.052 176.604 174.600 -0.081 0.000 1.032 158 S CA 1.670 59.849 58.200 -0.036 0.000 1.005 158 S CB -0.330 62.848 63.200 -0.037 0.000 0.867 158 S HN 0.699 nan 8.310 nan 0.000 0.449 159 E N 0.231 120.364 120.200 -0.111 0.000 2.051 159 E HA -0.143 4.207 4.350 0.000 0.000 0.192 159 E C 2.031 178.409 176.600 -0.370 0.000 0.991 159 E CA 1.545 57.784 56.400 -0.268 0.000 0.799 159 E CB -0.273 29.319 29.700 -0.180 0.000 0.748 159 E HN 0.623 nan 8.360 nan 0.000 0.449 160 I N 1.075 121.605 120.570 -0.067 0.000 2.163 160 I HA -0.314 3.856 4.170 0.000 0.000 0.243 160 I C 2.633 178.876 176.117 0.210 0.000 1.085 160 I CA 1.192 62.577 61.300 0.140 0.000 1.347 160 I CB -0.425 37.717 38.000 0.237 0.000 1.044 160 I HN 0.198 nan 8.210 nan 0.000 0.408 161 A N 0.457 123.354 122.820 0.129 0.000 1.908 161 A HA -0.297 4.024 4.320 0.000 0.000 0.218 161 A C 2.637 180.286 177.584 0.108 0.000 1.181 161 A CA 2.572 54.696 52.037 0.145 0.000 0.627 161 A CB -1.295 17.729 19.000 0.041 0.000 0.818 161 A HN 0.518 nan 8.150 nan 0.000 0.445 162 S N -0.969 114.696 115.700 -0.059 0.000 2.365 162 S HA -0.211 4.260 4.470 0.000 0.000 0.225 162 S C 1.906 176.487 174.600 -0.033 0.000 1.039 162 S CA 1.879 60.010 58.200 -0.115 0.000 1.033 162 S CB -0.728 nan 63.200 nan 0.000 0.887 162 S HN 0.558 nan 8.310 nan 0.000 0.447 163 Y N 0.225 120.565 120.300 0.067 0.000 2.145 163 Y HA -0.038 4.512 4.550 0.000 0.000 0.286 163 Y C 2.199 178.090 175.900 -0.015 0.000 1.145 163 Y CA 0.608 58.702 58.100 -0.010 0.000 1.148 163 Y CB -1.268 37.138 38.460 -0.092 0.000 0.981 163 Y HN 0.345 nan 8.280 nan 0.000 0.507 164 F N 0.568 120.618 119.950 0.166 0.000 2.126 164 F HA -0.226 4.301 4.527 0.000 0.000 0.299 164 F C 2.139 177.984 175.800 0.075 0.000 1.096 164 F CA 1.743 59.805 58.000 0.103 0.000 1.255 164 F CB -0.545 38.495 39.000 0.066 0.000 0.997 164 F HN 0.042 nan 8.300 nan 0.000 0.479 165 D N -0.259 120.291 120.400 0.250 0.000 2.149 165 D HA -0.151 4.489 4.640 0.000 0.000 0.198 165 D C 2.354 178.722 176.300 0.115 0.000 0.990 165 D CA 1.075 55.162 54.000 0.144 0.000 0.839 165 D CB -0.358 40.497 40.800 0.092 0.000 0.948 165 D HN 0.212 nan 8.370 nan 0.000 0.460 166 R N 0.499 121.069 120.500 0.117 0.000 2.091 166 R HA -0.074 4.266 4.340 0.000 0.000 0.238 166 R C 2.299 178.650 176.300 0.085 0.000 1.136 166 R CA 1.422 57.580 56.100 0.096 0.000 0.959 166 R CB -0.244 30.126 30.300 0.115 0.000 0.856 166 R HN 0.114 nan 8.270 nan 0.000 0.437 167 A N 0.801 123.678 122.820 0.094 0.000 1.877 167 A HA -0.205 4.115 4.320 0.000 0.000 0.216 167 A C 2.711 180.354 177.584 0.098 0.000 1.186 167 A CA 1.778 53.863 52.037 0.080 0.000 0.620 167 A CB -1.378 17.666 19.000 0.072 0.000 0.822 167 A HN 0.707 nan 8.150 nan 0.000 0.443 168 C N -0.373 118.998 119.300 0.117 0.000 2.413 168 C HA 0.173 4.633 4.460 0.000 0.000 0.277 168 C C 3.060 178.097 174.990 0.079 0.000 1.228 168 C CA 2.549 61.627 59.018 0.100 0.000 1.731 168 C CB -1.380 26.419 27.740 0.099 0.000 2.042 168 C HN 0.709 nan 8.230 nan 0.000 0.468 169 A N 0.277 123.140 122.820 0.072 0.000 1.948 169 A HA 0.182 4.502 4.320 0.000 0.000 0.220 169 A C 2.521 180.139 177.584 0.057 0.000 1.177 169 A CA 2.606 54.677 52.037 0.058 0.000 0.636 169 A CB -0.925 18.107 19.000 0.052 0.000 0.815 169 A HN 1.475 nan 8.150 nan 0.000 0.449 170 A N -0.678 122.178 122.820 0.060 0.000 2.206 170 A HA 0.251 4.571 4.320 0.000 0.000 0.211 170 A C 1.772 179.397 177.584 0.067 0.000 1.158 170 A CA 1.549 53.615 52.037 0.049 0.000 0.761 170 A CB -0.495 18.525 19.000 0.034 0.000 0.801 170 A HN 1.187 nan 8.150 nan 0.000 0.473 171 V N -5.102 114.870 119.914 0.097 0.000 3.562 171 V HA 0.251 4.371 4.120 0.000 0.000 0.270 171 V C 0.925 177.085 176.094 0.111 0.000 1.418 171 V CA 0.297 62.688 62.300 0.152 0.000 1.033 171 V CB -0.419 31.548 31.823 0.241 0.000 0.820 171 V HN 0.149 nan 8.190 nan 0.000 0.441 172 S N 0.000 115.745 115.700 0.076 0.000 2.498 172 S HA 0.000 4.470 4.470 0.000 0.000 0.327 172 S CA 0.000 58.232 58.200 0.053 0.000 1.107 172 S CB 0.000 63.226 63.200 0.044 0.000 0.593 172 S HN 0.000 nan 8.310 nan 0.000 0.517