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 2uun_1_J DATA FIRST_RESID 1 DATA SEQUENCE MFDAFTKVAA QADTRGEMVS VAQIDALSQM VAEANKRLDA VNRITANAST DATA SEQUENCE VVSNAARALF AEQPQLIAPG GNAYASDRMA ACLRDMEIIL RYVTYAVFAG DATA SEQUENCE DASALEDRCL NGLRETYSAL GTPGSSVAVG VGKMKEAALA IVNDPAGITP DATA SEQUENCE GDCSALASEI AGYFDRAAAA 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 0.000 176.014 176.300 -0.476 0.000 1.140 1 M CA 0.000 55.059 55.300 -0.401 0.000 0.988 1 M CB 0.000 32.511 32.600 -0.149 0.000 1.302 2 F N 0.915 120.880 119.950 0.024 0.000 2.458 2 F HA 0.712 5.239 4.527 0.000 0.000 0.330 2 F C 0.064 175.885 175.800 0.036 0.000 1.082 2 F CA -0.199 57.820 58.000 0.033 0.000 0.995 2 F CB 1.322 40.339 39.000 0.028 0.000 1.170 2 F HN 0.786 nan 8.300 nan 0.000 0.478 3 D N 0.269 120.814 120.400 0.242 0.000 2.440 3 D HA 0.562 5.202 4.640 0.000 0.000 0.258 3 D C 0.903 177.255 176.300 0.088 0.000 1.092 3 D CA -0.566 53.523 54.000 0.148 0.000 1.016 3 D CB 0.769 41.660 40.800 0.151 0.000 1.141 3 D HN 0.531 nan 8.370 nan 0.000 0.552 4 A N -0.364 122.417 122.820 -0.065 0.000 1.903 4 A HA -0.180 4.140 4.320 0.000 0.000 0.219 4 A C 1.852 179.327 177.584 -0.183 0.000 1.191 4 A CA 1.430 53.353 52.037 -0.189 0.000 0.638 4 A CB -1.209 17.569 19.000 -0.371 0.000 0.823 4 A HN 0.558 nan 8.150 nan 0.000 0.451 5 F N -0.181 119.781 119.950 0.020 0.000 2.031 5 F HA -0.134 4.393 4.527 0.000 0.000 0.295 5 F C 2.853 178.664 175.800 0.018 0.000 1.133 5 F CA 1.828 59.835 58.000 0.012 0.000 1.188 5 F CB -1.400 37.608 39.000 0.013 0.000 0.974 5 F HN 0.098 nan 8.300 nan 0.000 0.473 6 T N -0.317 114.408 114.554 0.286 0.000 2.778 6 T HA -0.262 4.088 4.350 0.000 0.000 0.269 6 T C 1.987 176.746 174.700 0.098 0.000 1.050 6 T CA 1.725 63.960 62.100 0.225 0.000 1.137 6 T CB -0.279 68.760 68.868 0.285 0.000 0.860 6 T HN -0.009 nan 8.240 nan 0.000 0.468 7 K N 1.107 121.506 120.400 -0.002 0.000 2.026 7 K HA -0.028 4.292 4.320 0.000 0.000 0.208 7 K C 1.979 178.425 176.600 -0.256 0.000 1.048 7 K CA 1.420 57.517 56.287 -0.318 0.000 0.929 7 K CB -0.853 31.544 32.500 -0.170 0.000 0.713 7 K HN 0.241 nan 8.250 nan 0.000 0.439 8 V N 1.019 120.874 119.914 -0.099 0.000 2.358 8 V HA -0.154 3.966 4.120 0.000 0.000 0.246 8 V C 2.404 178.473 176.094 -0.042 0.000 1.047 8 V CA 1.755 64.017 62.300 -0.063 0.000 1.035 8 V CB -1.047 30.765 31.823 -0.018 0.000 0.658 8 V HN 0.463 nan 8.190 nan 0.000 0.452 9 A N 0.517 123.339 122.820 0.004 0.000 1.892 9 A HA -0.255 4.065 4.320 0.000 0.000 0.218 9 A C 2.485 180.057 177.584 -0.019 0.000 1.188 9 A CA 2.610 54.656 52.037 0.014 0.000 0.631 9 A CB -1.050 17.982 19.000 0.053 0.000 0.822 9 A HN 0.618 nan 8.150 nan 0.000 0.447 10 A N -1.027 121.753 122.820 -0.067 0.000 1.927 10 A HA -0.305 4.015 4.320 0.000 0.000 0.220 10 A C 2.136 179.658 177.584 -0.104 0.000 1.185 10 A CA 2.091 54.066 52.037 -0.104 0.000 0.639 10 A CB -0.635 18.172 19.000 -0.322 0.000 0.820 10 A HN 0.693 nan 8.150 nan 0.000 0.451 11 Q N -1.202 118.518 119.800 -0.133 0.000 2.137 11 Q HA 0.097 4.437 4.340 0.000 0.000 0.198 11 Q C 2.399 178.370 176.000 -0.049 0.000 0.960 11 Q CA 1.010 56.757 55.803 -0.092 0.000 0.847 11 Q CB -0.307 28.370 28.738 -0.101 0.000 0.915 11 Q HN 0.690 nan 8.270 nan 0.000 0.448 12 A N 1.022 123.819 122.820 -0.038 0.000 1.933 12 A HA -0.249 4.071 4.320 0.000 0.000 0.218 12 A C 1.651 179.229 177.584 -0.010 0.000 1.175 12 A CA 1.902 53.928 52.037 -0.018 0.000 0.628 12 A CB -0.507 18.487 19.000 -0.009 0.000 0.814 12 A HN 0.382 nan 8.150 nan 0.000 0.444 13 D N -0.735 119.661 120.400 -0.008 0.000 2.123 13 D HA -0.139 4.501 4.640 0.000 0.000 0.200 13 D C 2.125 178.426 176.300 0.002 0.000 0.976 13 D CA 2.071 56.073 54.000 0.003 0.000 0.831 13 D CB -0.164 40.644 40.800 0.013 0.000 0.974 13 D HN 0.453 nan 8.370 nan 0.000 0.469 14 T N -2.152 112.400 114.554 -0.003 0.000 3.025 14 T HA -0.081 4.269 4.350 0.000 0.000 0.270 14 T C 1.697 176.395 174.700 -0.002 0.000 1.126 14 T CA 0.610 62.710 62.100 -0.000 0.000 1.105 14 T CB -0.265 68.602 68.868 -0.002 0.000 0.884 14 T HN 0.123 nan 8.240 nan 0.000 0.522 15 R N 0.299 120.796 120.500 -0.005 0.000 2.312 15 R HA 0.318 4.658 4.340 0.000 0.000 0.205 15 R C 1.757 178.056 176.300 -0.002 0.000 0.904 15 R CA 0.309 56.406 56.100 -0.005 0.000 1.052 15 R CB 0.006 30.302 30.300 -0.007 0.000 1.014 15 R HN 0.504 nan 8.270 nan 0.000 0.503 16 G N 2.255 111.056 108.800 0.000 0.000 2.283 16 G HA2 -0.308 3.652 3.960 0.000 0.000 0.280 16 G HA3 -0.308 3.652 3.960 0.000 0.000 0.280 16 G C -0.332 174.569 174.900 0.001 0.000 1.029 16 G CA 0.530 45.631 45.100 0.002 0.000 0.840 16 G HN 0.397 nan 8.290 nan 0.000 0.505 17 E N -0.693 119.506 120.200 -0.000 0.000 2.244 17 E HA 0.618 4.968 4.350 0.000 0.000 0.266 17 E C 0.764 177.365 176.600 0.001 0.000 0.914 17 E CA -1.025 55.374 56.400 -0.000 0.000 0.794 17 E CB 0.964 30.663 29.700 -0.002 0.000 1.210 17 E HN 0.322 nan 8.360 nan 0.000 0.414 18 M N 1.445 121.046 119.600 0.002 0.000 2.274 18 M HA 0.253 4.733 4.480 0.000 0.000 0.344 18 M C -0.107 176.196 176.300 0.004 0.000 1.161 18 M CA -0.817 54.485 55.300 0.003 0.000 1.126 18 M CB 0.769 33.370 32.600 0.003 0.000 1.522 18 M HN 0.200 nan 8.290 nan 0.000 0.461 19 V N 2.403 122.321 119.914 0.007 0.000 2.694 19 V HA -0.028 4.092 4.120 0.000 0.000 0.306 19 V C 0.904 177.003 176.094 0.008 0.000 1.054 19 V CA -0.036 62.270 62.300 0.009 0.000 1.161 19 V CB 0.720 32.556 31.823 0.021 0.000 0.916 19 V HN 1.056 nan 8.190 nan 0.000 0.490 20 S N 4.253 119.956 115.700 0.005 0.000 2.576 20 S HA 0.168 4.638 4.470 0.000 0.000 0.276 20 S C 1.267 175.871 174.600 0.007 0.000 1.339 20 S CA -0.267 57.936 58.200 0.004 0.000 1.039 20 S CB 1.474 64.675 63.200 0.001 0.000 0.902 20 S HN 0.865 nan 8.310 nan 0.000 0.516 21 V N 1.603 121.521 119.914 0.006 0.000 2.363 21 V HA -0.233 3.887 4.120 0.000 0.000 0.254 21 V C 2.822 178.920 176.094 0.007 0.000 1.074 21 V CA 2.172 64.476 62.300 0.007 0.000 1.069 21 V CB -2.416 29.410 31.823 0.005 0.000 0.659 21 V HN 1.035 nan 8.190 nan 0.000 0.455 22 A N 0.959 123.782 122.820 0.004 0.000 1.851 22 A HA -0.303 4.017 4.320 0.000 0.000 0.216 22 A C 2.287 179.873 177.584 0.004 0.000 1.195 22 A CA 2.389 54.428 52.037 0.003 0.000 0.622 22 A CB -0.732 18.268 19.000 -0.001 0.000 0.831 22 A HN 0.716 nan 8.150 nan 0.000 0.444 23 Q N -0.438 119.365 119.800 0.005 0.000 2.124 23 Q HA -0.098 4.243 4.340 0.000 0.000 0.202 23 Q C 2.065 178.077 176.000 0.020 0.000 0.977 23 Q CA 1.495 57.302 55.803 0.006 0.000 0.850 23 Q CB -0.447 28.294 28.738 0.004 0.000 0.901 23 Q HN 0.731 nan 8.270 nan 0.000 0.429 24 I N 1.461 122.046 120.570 0.026 0.000 2.226 24 I HA -0.270 3.900 4.170 0.000 0.000 0.245 24 I C 1.566 177.706 176.117 0.037 0.000 1.100 24 I CA 1.106 62.430 61.300 0.040 0.000 1.374 24 I CB -0.360 37.659 38.000 0.032 0.000 1.057 24 I HN 0.160 nan 8.210 nan 0.000 0.413 25 D N 1.241 121.655 120.400 0.022 0.000 2.104 25 D HA -0.170 4.470 4.640 0.000 0.000 0.194 25 D C 2.278 178.587 176.300 0.014 0.000 0.994 25 D CA 1.645 55.656 54.000 0.018 0.000 0.830 25 D CB -0.279 40.527 40.800 0.010 0.000 0.959 25 D HN 0.343 nan 8.370 nan 0.000 0.452 26 A N 0.741 123.565 122.820 0.006 0.000 1.892 26 A HA -0.181 4.139 4.320 0.000 0.000 0.218 26 A C 2.425 180.002 177.584 -0.012 0.000 1.188 26 A CA 1.202 53.235 52.037 -0.007 0.000 0.631 26 A CB -0.900 18.091 19.000 -0.015 0.000 0.822 26 A HN 0.226 nan 8.150 nan 0.000 0.447 27 L N -1.063 120.163 121.223 0.004 0.000 1.989 27 L HA -0.189 4.151 4.340 0.000 0.000 0.211 27 L C 2.875 179.779 176.870 0.057 0.000 1.071 27 L CA 1.599 56.448 54.840 0.015 0.000 0.749 27 L CB -0.652 41.480 42.059 0.123 0.000 0.890 27 L HN 0.422 nan 8.230 nan 0.000 0.431 28 S N -1.011 114.733 115.700 0.073 0.000 2.392 28 S HA -0.294 4.176 4.470 0.000 0.000 0.232 28 S C 1.979 176.603 174.600 0.039 0.000 1.041 28 S CA 1.650 59.890 58.200 0.067 0.000 1.026 28 S CB -0.159 63.069 63.200 0.046 0.000 0.845 28 S HN 0.411 nan 8.310 nan 0.000 0.465 29 Q N -0.359 119.452 119.800 0.017 0.000 2.096 29 Q HA -0.005 4.335 4.340 0.000 0.000 0.197 29 Q C 2.238 178.234 176.000 -0.006 0.000 0.964 29 Q CA 0.855 56.661 55.803 0.005 0.000 0.838 29 Q CB -0.247 28.489 28.738 -0.003 0.000 0.906 29 Q HN 0.530 nan 8.270 nan 0.000 0.444 30 M N 0.397 119.982 119.600 -0.026 0.000 2.149 30 M HA -0.163 4.317 4.480 0.000 0.000 0.261 30 M C 1.869 178.150 176.300 -0.032 0.000 1.064 30 M CA 1.158 56.425 55.300 -0.055 0.000 1.102 30 M CB -0.200 32.325 32.600 -0.125 0.000 1.369 30 M HN 0.126 nan 8.290 nan 0.000 0.408 31 V N 0.878 120.802 119.914 0.017 0.000 2.343 31 V HA -0.233 3.887 4.120 0.000 0.000 0.247 31 V C 2.617 178.729 176.094 0.030 0.000 1.051 31 V CA 1.853 64.189 62.300 0.060 0.000 1.036 31 V CB -1.300 30.593 31.823 0.116 0.000 0.654 31 V HN 0.641 nan 8.190 nan 0.000 0.451 32 A N -0.722 122.111 122.820 0.021 0.000 2.172 32 A HA -0.129 4.191 4.320 0.000 0.000 0.216 32 A C 1.804 179.392 177.584 0.007 0.000 1.154 32 A CA 1.234 53.280 52.037 0.015 0.000 0.701 32 A CB -0.289 18.718 19.000 0.012 0.000 0.789 32 A HN 0.678 nan 8.150 nan 0.000 0.465 33 E N -0.665 119.535 120.200 0.001 0.000 2.548 33 E HA 0.322 4.672 4.350 0.000 0.000 0.206 33 E C 1.643 178.240 176.600 -0.005 0.000 1.005 33 E CA 0.315 56.714 56.400 -0.002 0.000 0.951 33 E CB 0.185 29.882 29.700 -0.006 0.000 1.035 33 E HN 0.525 nan 8.360 nan 0.000 0.470 34 A N 2.168 124.984 122.820 -0.006 0.000 1.915 34 A HA -0.334 3.986 4.320 0.000 0.000 0.220 34 A C 1.875 179.454 177.584 -0.008 0.000 1.198 34 A CA 2.117 54.145 52.037 -0.015 0.000 0.647 34 A CB -0.772 18.227 19.000 -0.002 0.000 0.825 34 A HN 0.303 nan 8.150 nan 0.000 0.456 35 N N -0.781 117.922 118.700 0.005 0.000 2.166 35 N HA -0.144 4.596 4.740 0.000 0.000 0.186 35 N C 1.738 177.260 175.510 0.019 0.000 1.019 35 N CA 1.390 54.448 53.050 0.014 0.000 0.856 35 N CB -0.146 38.350 38.487 0.015 0.000 0.993 35 N HN 0.556 nan 8.380 nan 0.000 0.426 36 K N 0.884 121.294 120.400 0.016 0.000 2.103 36 K HA -0.092 4.228 4.320 0.000 0.000 0.204 36 K C 2.081 178.699 176.600 0.029 0.000 1.052 36 K CA 0.564 56.865 56.287 0.022 0.000 0.945 36 K CB -0.097 32.414 32.500 0.017 0.000 0.722 36 K HN 0.142 nan 8.250 nan 0.000 0.443 37 R N 1.516 122.028 120.500 0.019 0.000 2.083 37 R HA -0.136 4.204 4.340 0.000 0.000 0.237 37 R C 2.227 178.555 176.300 0.048 0.000 1.137 37 R CA 1.319 57.434 56.100 0.025 0.000 0.951 37 R CB -0.282 30.009 30.300 -0.015 0.000 0.851 37 R HN 0.113 nan 8.270 nan 0.000 0.434 38 L N 0.458 121.703 121.223 0.037 0.000 2.056 38 L HA -0.182 4.158 4.340 0.000 0.000 0.207 38 L C 2.141 179.064 176.870 0.087 0.000 1.078 38 L CA 1.197 56.083 54.840 0.077 0.000 0.749 38 L CB -0.563 41.535 42.059 0.065 0.000 0.901 38 L HN 0.231 nan 8.230 nan 0.000 0.433 39 D N 0.393 120.830 120.400 0.063 0.000 2.149 39 D HA -0.232 4.408 4.640 0.000 0.000 0.194 39 D C 2.192 178.534 176.300 0.070 0.000 1.001 39 D CA 1.697 55.733 54.000 0.059 0.000 0.849 39 D CB -0.001 40.826 40.800 0.044 0.000 0.939 39 D HN 0.361 nan 8.370 nan 0.000 0.449 40 A N 0.480 123.345 122.820 0.076 0.000 1.877 40 A HA -0.150 4.170 4.320 0.000 0.000 0.216 40 A C 2.602 180.249 177.584 0.105 0.000 1.186 40 A CA 1.394 53.484 52.037 0.088 0.000 0.620 40 A CB -0.749 18.308 19.000 0.094 0.000 0.822 40 A HN 0.168 nan 8.150 nan 0.000 0.443 41 V N 0.704 120.693 119.914 0.125 0.000 2.323 41 V HA -0.221 3.899 4.120 0.000 0.000 0.244 41 V C 2.460 178.615 176.094 0.102 0.000 1.041 41 V CA 2.276 64.660 62.300 0.141 0.000 1.025 41 V CB -1.008 30.954 31.823 0.232 0.000 0.656 41 V HN 0.773 nan 8.190 nan 0.000 0.451 42 N N 0.377 119.135 118.700 0.096 0.000 2.120 42 N HA -0.184 4.556 4.740 0.000 0.000 0.188 42 N C 1.969 177.512 175.510 0.055 0.000 1.024 42 N CA 1.696 54.788 53.050 0.070 0.000 0.852 42 N CB -0.177 38.349 38.487 0.065 0.000 1.003 42 N HN 0.356 nan 8.380 nan 0.000 0.424 43 R N -0.181 120.354 120.500 0.058 0.000 2.066 43 R HA 0.026 4.366 4.340 0.000 0.000 0.232 43 R C 2.281 178.612 176.300 0.052 0.000 1.131 43 R CA 1.441 57.570 56.100 0.049 0.000 0.955 43 R CB -0.368 29.961 30.300 0.049 0.000 0.851 43 R HN 0.332 nan 8.270 nan 0.000 0.432 44 I N 0.129 120.740 120.570 0.068 0.000 2.142 44 I HA -0.281 3.889 4.170 0.000 0.000 0.240 44 I C 2.161 178.308 176.117 0.051 0.000 1.078 44 I CA 1.481 62.828 61.300 0.077 0.000 1.343 44 I CB -0.532 37.538 38.000 0.117 0.000 1.046 44 I HN 0.208 nan 8.210 nan 0.000 0.405 45 T N 0.984 115.561 114.554 0.039 0.000 2.652 45 T HA -0.200 4.150 4.350 0.000 0.000 0.267 45 T C 1.945 176.654 174.700 0.014 0.000 1.039 45 T CA 1.606 63.715 62.100 0.014 0.000 1.153 45 T CB -0.441 68.433 68.868 0.010 0.000 0.863 45 T HN 0.489 nan 8.240 nan 0.000 0.428 46 A N 1.093 123.926 122.820 0.022 0.000 2.225 46 A HA -0.033 4.288 4.320 0.000 0.000 0.215 46 A C 1.542 179.136 177.584 0.016 0.000 1.164 46 A CA 1.167 53.215 52.037 0.018 0.000 0.710 46 A CB -0.538 18.475 19.000 0.021 0.000 0.780 46 A HN 0.617 nan 8.150 nan 0.000 0.473 47 N N -1.741 116.971 118.700 0.020 0.000 2.365 47 N HA 0.392 5.132 4.740 0.000 0.000 0.257 47 N C 1.092 176.613 175.510 0.019 0.000 1.287 47 N CA 0.418 53.478 53.050 0.018 0.000 0.882 47 N CB 0.640 39.139 38.487 0.021 0.000 1.250 47 N HN 0.306 nan 8.380 nan 0.000 0.507 48 A N 0.272 123.100 122.820 0.015 0.000 1.898 48 A HA -0.134 4.186 4.320 0.000 0.000 0.216 48 A C 2.160 179.752 177.584 0.013 0.000 1.181 48 A CA 1.790 53.835 52.037 0.014 0.000 0.620 48 A CB -0.458 18.541 19.000 -0.003 0.000 0.819 48 A HN 0.364 nan 8.150 nan 0.000 0.442 49 S N -1.081 114.624 115.700 0.009 0.000 2.436 49 S HA -0.086 4.384 4.470 0.000 0.000 0.228 49 S C 1.787 176.394 174.600 0.012 0.000 1.014 49 S CA 1.437 59.643 58.200 0.011 0.000 0.950 49 S CB -0.780 62.425 63.200 0.009 0.000 0.784 49 S HN 0.485 nan 8.310 nan 0.000 0.504 50 T N 2.811 117.371 114.554 0.010 0.000 2.674 50 T HA -0.036 4.314 4.350 0.000 0.000 0.265 50 T C 1.954 176.657 174.700 0.004 0.000 1.039 50 T CA 1.443 63.547 62.100 0.007 0.000 1.150 50 T CB -0.635 68.237 68.868 0.006 0.000 0.864 50 T HN 0.241 nan 8.240 nan 0.000 0.427 51 V N 1.406 121.326 119.914 0.009 0.000 2.282 51 V HA -0.201 3.919 4.120 0.000 0.000 0.249 51 V C 2.647 178.745 176.094 0.006 0.000 1.057 51 V CA 1.681 63.987 62.300 0.009 0.000 1.032 51 V CB -0.791 31.052 31.823 0.033 0.000 0.645 51 V HN 0.319 nan 8.190 nan 0.000 0.447 52 V N 0.724 120.647 119.914 0.014 0.000 2.244 52 V HA -0.229 3.891 4.120 0.000 0.000 0.244 52 V C 2.698 178.790 176.094 -0.004 0.000 1.042 52 V CA 2.361 64.668 62.300 0.011 0.000 1.006 52 V CB -0.975 30.861 31.823 0.021 0.000 0.641 52 V HN 0.763 nan 8.190 nan 0.000 0.446 53 S N 0.746 116.450 115.700 0.006 0.000 2.368 53 S HA -0.226 4.244 4.470 0.000 0.000 0.225 53 S C 1.828 176.424 174.600 -0.007 0.000 1.030 53 S CA 1.676 59.884 58.200 0.013 0.000 0.999 53 S CB -0.717 62.497 63.200 0.024 0.000 0.844 53 S HN 0.571 nan 8.310 nan 0.000 0.459 54 N N 2.855 121.547 118.700 -0.014 0.000 2.120 54 N HA 0.052 4.792 4.740 0.000 0.000 0.188 54 N C 2.028 177.501 175.510 -0.061 0.000 1.024 54 N CA 1.616 54.649 53.050 -0.028 0.000 0.852 54 N CB -1.111 37.363 38.487 -0.023 0.000 1.003 54 N HN 0.622 nan 8.380 nan 0.000 0.424 55 A N 0.895 123.673 122.820 -0.071 0.000 1.902 55 A HA -0.010 4.310 4.320 0.000 0.000 0.217 55 A C 2.361 179.827 177.584 -0.196 0.000 1.181 55 A CA 2.091 54.064 52.037 -0.107 0.000 0.623 55 A CB -0.940 18.013 19.000 -0.078 0.000 0.818 55 A HN 0.328 nan 8.150 nan 0.000 0.443 56 A N -0.324 122.367 122.820 -0.216 0.000 1.877 56 A HA -0.166 4.155 4.320 0.000 0.000 0.216 56 A C 2.251 179.491 177.584 -0.573 0.000 1.186 56 A CA 1.847 53.610 52.037 -0.456 0.000 0.620 56 A CB -0.521 18.361 19.000 -0.197 0.000 0.822 56 A HN 0.577 nan 8.150 nan 0.000 0.443 57 R N -0.326 120.063 120.500 -0.185 0.000 2.083 57 R HA -0.120 4.220 4.340 0.000 0.000 0.237 57 R C 2.288 178.534 176.300 -0.090 0.000 1.137 57 R CA 1.662 57.737 56.100 -0.041 0.000 0.951 57 R CB -0.476 29.840 30.300 0.028 0.000 0.851 57 R HN 0.415 nan 8.270 nan 0.000 0.434 58 A N 1.080 123.831 122.820 -0.115 0.000 1.940 58 A HA -0.170 4.150 4.320 0.000 0.000 0.219 58 A C 2.051 179.561 177.584 -0.123 0.000 1.176 58 A CA 1.392 53.377 52.037 -0.087 0.000 0.631 58 A CB -0.652 18.302 19.000 -0.077 0.000 0.814 58 A HN 0.421 nan 8.150 nan 0.000 0.446 59 L N -1.143 119.927 121.223 -0.254 0.000 1.994 59 L HA -0.107 4.233 4.340 0.000 0.000 0.208 59 L C 2.166 178.941 176.870 -0.158 0.000 1.071 59 L CA 2.100 56.774 54.840 -0.276 0.000 0.745 59 L CB -0.866 40.926 42.059 -0.446 0.000 0.892 59 L HN 0.337 nan 8.230 nan 0.000 0.431 60 F N 0.232 120.182 119.950 -0.000 0.000 2.171 60 F HA -0.090 4.437 4.527 0.000 0.000 0.300 60 F C 2.583 178.384 175.800 0.001 0.000 1.090 60 F CA 0.881 58.883 58.000 0.003 0.000 1.293 60 F CB -1.783 37.222 39.000 0.009 0.000 1.013 60 F HN 0.218 nan 8.300 nan 0.000 0.486 61 A N -0.249 122.656 122.820 0.141 0.000 1.902 61 A HA -0.231 4.089 4.320 0.000 0.000 0.217 61 A C 2.189 179.803 177.584 0.051 0.000 1.181 61 A CA 1.815 53.901 52.037 0.082 0.000 0.623 61 A CB -0.909 18.119 19.000 0.046 0.000 0.818 61 A HN 0.396 nan 8.150 nan 0.000 0.443 62 E N -0.799 119.418 120.200 0.028 0.000 2.204 62 E HA -0.104 4.246 4.350 0.000 0.000 0.194 62 E C 0.568 177.185 176.600 0.028 0.000 0.989 62 E CA 0.817 57.225 56.400 0.013 0.000 0.824 62 E CB 0.042 29.734 29.700 -0.012 0.000 0.756 62 E HN 0.682 nan 8.360 nan 0.000 0.477 63 Q N -0.792 119.043 119.800 0.058 0.000 3.230 63 Q HA 0.147 4.487 4.340 0.000 0.000 0.303 63 Q C -2.227 173.828 176.000 0.092 0.000 0.884 63 Q CA -1.453 54.390 55.803 0.067 0.000 0.859 63 Q CB 1.585 30.361 28.738 0.063 0.000 1.432 63 Q HN 0.139 nan 8.270 nan 0.000 0.403 64 P HA -0.242 nan 4.420 nan 0.000 0.220 64 P C 1.422 178.742 177.300 0.033 0.000 1.148 64 P CA 1.135 64.268 63.100 0.055 0.000 0.803 64 P CB 0.235 31.952 31.700 0.028 0.000 0.782 65 Q N 0.058 119.874 119.800 0.026 0.000 2.368 65 Q HA -0.145 4.195 4.340 0.000 0.000 0.210 65 Q C 1.827 177.835 176.000 0.014 0.000 0.982 65 Q CA 1.407 57.214 55.803 0.006 0.000 0.884 65 Q CB -1.491 27.249 28.738 0.004 0.000 0.933 65 Q HN 0.319 nan 8.270 nan 0.000 0.460 66 L N 0.615 121.867 121.223 0.049 0.000 2.156 66 L HA -0.024 4.316 4.340 0.000 0.000 0.208 66 L C 2.346 179.215 176.870 -0.002 0.000 1.095 66 L CA 1.210 56.087 54.840 0.062 0.000 0.770 66 L CB -0.222 41.945 42.059 0.179 0.000 0.914 66 L HN 0.319 nan 8.230 nan 0.000 0.439 67 I N -4.283 116.262 120.570 -0.043 0.000 4.227 67 I HA 0.360 4.530 4.170 0.000 0.000 0.334 67 I C 1.107 177.205 176.117 -0.032 0.000 1.341 67 I CA -0.487 60.761 61.300 -0.086 0.000 1.123 67 I CB -0.011 37.839 38.000 -0.250 0.000 1.097 67 I HN -0.092 nan 8.210 nan 0.000 0.399 68 A N 3.005 125.785 122.820 -0.067 0.000 2.531 68 A HA 0.340 4.660 4.320 0.000 0.000 0.236 68 A C -2.271 175.122 177.584 -0.318 0.000 1.062 68 A CA -0.698 51.253 52.037 -0.143 0.000 0.760 68 A CB -0.851 18.088 19.000 -0.103 0.000 0.995 68 A HN 0.155 nan 8.150 nan 0.000 0.501 69 P HA 0.248 nan 4.420 nan 0.000 0.262 69 P C 1.086 178.058 177.300 -0.548 0.000 1.182 69 P CA 1.811 64.173 63.100 -1.229 0.000 0.761 69 P CB 0.646 31.798 31.700 -0.912 0.000 0.795 70 G N 1.952 110.540 108.800 -0.353 0.000 2.307 70 G HA2 -0.135 3.825 3.960 0.000 0.000 0.210 70 G HA3 -0.135 3.825 3.960 0.000 0.000 0.210 70 G C 0.607 175.509 174.900 0.003 0.000 1.005 70 G CA -0.207 44.843 45.100 -0.084 0.000 0.634 70 G HN 0.866 nan 8.290 nan 0.000 0.496 71 G N -0.229 108.568 108.800 -0.005 0.000 2.606 71 G HA2 0.402 4.362 3.960 0.000 0.000 0.252 71 G HA3 0.402 4.362 3.960 0.000 0.000 0.252 71 G C 0.794 175.738 174.900 0.074 0.000 1.206 71 G CA 0.522 45.640 45.100 0.030 0.000 0.861 71 G HN 0.310 nan 8.290 nan 0.000 0.561 72 N N 0.389 119.117 118.700 0.047 0.000 2.381 72 N HA -0.090 4.650 4.740 0.000 0.000 0.182 72 N C 1.819 177.352 175.510 0.039 0.000 1.025 72 N CA 0.791 53.866 53.050 0.043 0.000 0.888 72 N CB 0.047 38.546 38.487 0.021 0.000 0.965 72 N HN 0.454 nan 8.380 nan 0.000 0.438 73 A N -0.341 122.497 122.820 0.029 0.000 2.460 73 A HA 0.077 4.397 4.320 0.000 0.000 0.258 73 A C -0.041 177.511 177.584 -0.052 0.000 1.300 73 A CA -0.466 51.554 52.037 -0.029 0.000 0.913 73 A CB -0.228 18.717 19.000 -0.091 0.000 1.031 73 A HN 0.401 nan 8.150 nan 0.000 0.512 74 Y N 0.610 120.849 120.300 -0.100 0.000 2.335 74 Y HA 0.490 5.040 4.550 0.000 0.000 0.323 74 Y C 0.182 176.044 175.900 -0.064 0.000 1.224 74 Y CA -0.575 57.468 58.100 -0.095 0.000 1.241 74 Y CB 0.787 39.204 38.460 -0.072 0.000 1.235 74 Y HN 1.031 nan 8.280 nan 0.000 0.492 75 A N 2.673 124.848 122.820 -1.075 0.000 2.435 75 A HA -0.112 4.208 4.320 0.000 0.000 0.686 75 A C 0.817 178.196 177.584 -0.342 0.000 0.138 75 A CA 0.266 51.881 52.037 -0.704 0.000 0.024 75 A CB -1.901 16.846 19.000 -0.422 0.000 3.974 75 A HN 1.005 nan 8.150 nan 0.000 0.548 76 S N 0.813 116.360 115.700 -0.256 0.000 2.365 76 S HA -0.217 4.253 4.470 0.000 0.000 0.225 76 S C 1.599 176.138 174.600 -0.101 0.000 1.039 76 S CA 2.115 60.227 58.200 -0.146 0.000 1.033 76 S CB -0.402 62.733 63.200 -0.109 0.000 0.887 76 S HN 1.124 nan 8.310 nan 0.000 0.447 77 D N 0.709 121.052 120.400 -0.094 0.000 2.154 77 D HA -0.202 4.438 4.640 0.000 0.000 0.190 77 D C 2.221 178.496 176.300 -0.042 0.000 1.003 77 D CA 1.578 55.544 54.000 -0.057 0.000 0.849 77 D CB 0.042 40.808 40.800 -0.056 0.000 0.942 77 D HN 0.275 nan 8.370 nan 0.000 0.446 78 R N -1.055 119.409 120.500 -0.059 0.000 2.075 78 R HA -0.020 4.320 4.340 0.000 0.000 0.226 78 R C 2.317 178.605 176.300 -0.019 0.000 1.114 78 R CA 1.051 57.134 56.100 -0.028 0.000 0.972 78 R CB -0.438 29.843 30.300 -0.031 0.000 0.869 78 R HN 0.300 nan 8.270 nan 0.000 0.437 79 M N 1.348 120.912 119.600 -0.060 0.000 2.082 79 M HA -0.170 4.310 4.480 0.000 0.000 0.258 79 M C 2.160 178.468 176.300 0.014 0.000 1.069 79 M CA 2.010 57.281 55.300 -0.047 0.000 1.102 79 M CB -0.461 32.076 32.600 -0.105 0.000 1.336 79 M HN 0.144 nan 8.290 nan 0.000 0.404 80 A N -0.306 122.514 122.820 -0.001 0.000 1.877 80 A HA 0.018 4.338 4.320 0.000 0.000 0.216 80 A C 2.418 180.025 177.584 0.038 0.000 1.186 80 A CA 2.367 54.415 52.037 0.019 0.000 0.620 80 A CB -1.601 17.401 19.000 0.003 0.000 0.822 80 A HN 0.705 nan 8.150 nan 0.000 0.443 81 A N -1.086 121.755 122.820 0.035 0.000 1.948 81 A HA -0.264 4.056 4.320 0.000 0.000 0.220 81 A C 2.431 180.065 177.584 0.084 0.000 1.177 81 A CA 1.976 54.047 52.037 0.056 0.000 0.636 81 A CB -1.417 17.615 19.000 0.053 0.000 0.815 81 A HN 0.892 nan 8.150 nan 0.000 0.449 82 C N -0.745 118.609 119.300 0.090 0.000 2.476 82 C HA 0.075 4.535 4.460 0.000 0.000 0.278 82 C C 2.596 177.662 174.990 0.125 0.000 1.274 82 C CA 0.964 60.054 59.018 0.119 0.000 1.713 82 C CB -1.519 26.312 27.740 0.152 0.000 2.039 82 C HN 0.584 nan 8.230 nan 0.000 0.484 83 L N 0.691 121.991 121.223 0.128 0.000 2.012 83 L HA -0.155 4.185 4.340 0.000 0.000 0.210 83 L C 3.081 179.996 176.870 0.076 0.000 1.073 83 L CA 1.923 56.826 54.840 0.104 0.000 0.748 83 L CB -0.923 41.195 42.059 0.099 0.000 0.891 83 L HN 0.389 nan 8.230 nan 0.000 0.431 84 R N 0.303 120.845 120.500 0.070 0.000 2.119 84 R HA -0.225 4.115 4.340 0.000 0.000 0.246 84 R C 1.784 178.129 176.300 0.075 0.000 1.146 84 R CA 2.289 58.426 56.100 0.061 0.000 0.962 84 R CB -0.291 30.042 30.300 0.056 0.000 0.863 84 R HN 0.385 nan 8.270 nan 0.000 0.442 85 D N -0.222 120.238 120.400 0.101 0.000 2.117 85 D HA -0.140 4.500 4.640 0.000 0.000 0.198 85 D C 2.021 178.389 176.300 0.113 0.000 0.982 85 D CA 1.019 55.096 54.000 0.129 0.000 0.828 85 D CB -0.103 40.816 40.800 0.199 0.000 0.967 85 D HN 0.153 nan 8.370 nan 0.000 0.464 86 M N 0.400 120.055 119.600 0.092 0.000 2.073 86 M HA -0.172 4.308 4.480 0.000 0.000 0.258 86 M C 2.200 178.537 176.300 0.063 0.000 1.070 86 M CA 1.363 56.706 55.300 0.073 0.000 1.103 86 M CB -1.035 31.594 32.600 0.049 0.000 1.321 86 M HN 0.144 nan 8.290 nan 0.000 0.405 87 E N 0.529 120.758 120.200 0.048 0.000 2.085 87 E HA -0.190 4.160 4.350 0.000 0.000 0.194 87 E C 2.018 178.618 176.600 0.000 0.000 0.994 87 E CA 1.216 57.628 56.400 0.020 0.000 0.801 87 E CB -0.056 29.652 29.700 0.014 0.000 0.743 87 E HN 0.470 nan 8.360 nan 0.000 0.453 88 I N 0.657 121.248 120.570 0.036 0.000 2.179 88 I HA -0.303 3.867 4.170 0.000 0.000 0.242 88 I C 2.374 178.554 176.117 0.104 0.000 1.088 88 I CA 1.062 62.402 61.300 0.066 0.000 1.357 88 I CB -0.199 37.880 38.000 0.131 0.000 1.051 88 I HN 0.186 nan 8.210 nan 0.000 0.409 89 I N 0.001 120.629 120.570 0.096 0.000 2.208 89 I HA -0.307 3.863 4.170 0.000 0.000 0.245 89 I C 2.472 178.585 176.117 -0.005 0.000 1.097 89 I CA 1.239 62.586 61.300 0.077 0.000 1.363 89 I CB -0.292 37.758 38.000 0.085 0.000 1.051 89 I HN 0.239 nan 8.210 nan 0.000 0.413 90 L N 0.913 122.129 121.223 -0.011 0.000 2.083 90 L HA -0.191 4.149 4.340 0.000 0.000 0.209 90 L C 2.642 179.399 176.870 -0.188 0.000 1.083 90 L CA 1.683 56.486 54.840 -0.062 0.000 0.752 90 L CB -0.562 41.515 42.059 0.029 0.000 0.899 90 L HN 0.087 nan 8.230 nan 0.000 0.433 91 R N -1.903 118.445 120.500 -0.253 0.000 2.091 91 R HA -0.235 4.105 4.340 0.000 0.000 0.238 91 R C 2.234 177.994 176.300 -0.899 0.000 1.136 91 R CA 2.095 57.862 56.100 -0.555 0.000 0.959 91 R CB -0.498 29.441 30.300 -0.603 0.000 0.856 91 R HN 0.409 nan 8.270 nan 0.000 0.437 92 Y N -0.305 119.691 120.300 -0.506 0.000 2.314 92 Y HA -0.123 4.427 4.550 0.000 0.000 0.293 92 Y C 2.252 177.966 175.900 -0.310 0.000 1.129 92 Y CA 1.013 58.872 58.100 -0.402 0.000 1.201 92 Y CB -0.130 38.219 38.460 -0.186 0.000 0.999 92 Y HN -0.114 nan 8.280 nan 0.000 0.541 93 V N -0.187 119.604 119.914 -0.206 0.000 2.287 93 V HA -0.352 3.768 4.120 0.000 0.000 0.248 93 V C 2.556 178.511 176.094 -0.232 0.000 1.053 93 V CA 2.519 64.634 62.300 -0.309 0.000 1.027 93 V CB -1.350 30.082 31.823 -0.653 0.000 0.646 93 V HN 0.630 nan 8.190 nan 0.000 0.447 94 T N -2.202 112.225 114.554 -0.211 0.000 2.833 94 T HA -0.248 4.102 4.350 0.000 0.000 0.269 94 T C 1.852 176.581 174.700 0.049 0.000 1.054 94 T CA 1.613 63.668 62.100 -0.075 0.000 1.135 94 T CB -0.534 68.288 68.868 -0.077 0.000 0.869 94 T HN 0.385 nan 8.240 nan 0.000 0.466 95 Y N 2.441 122.675 120.300 -0.110 0.000 2.081 95 Y HA 0.056 4.606 4.550 0.000 0.000 0.280 95 Y C 3.216 179.092 175.900 -0.040 0.000 1.163 95 Y CA 0.240 58.291 58.100 -0.081 0.000 1.135 95 Y CB -1.635 36.758 38.460 -0.112 0.000 0.970 95 Y HN 0.380 nan 8.280 nan 0.000 0.498 96 A N -0.146 122.656 122.820 -0.030 0.000 1.892 96 A HA -0.181 4.139 4.320 0.000 0.000 0.218 96 A C 2.585 179.971 177.584 -0.329 0.000 1.188 96 A CA 2.323 54.136 52.037 -0.372 0.000 0.631 96 A CB -1.288 17.157 19.000 -0.925 0.000 0.822 96 A HN 0.251 nan 8.150 nan 0.000 0.447 97 V N -1.305 118.533 119.914 -0.127 0.000 2.287 97 V HA -0.273 3.847 4.120 0.000 0.000 0.248 97 V C 2.296 178.490 176.094 0.166 0.000 1.053 97 V CA 2.272 64.673 62.300 0.169 0.000 1.027 97 V CB -0.958 30.990 31.823 0.209 0.000 0.646 97 V HN 0.643 nan 8.190 nan 0.000 0.447 98 F N 1.250 121.222 119.950 0.038 0.000 2.126 98 F HA -0.188 4.339 4.527 0.000 0.000 0.299 98 F C 2.144 177.962 175.800 0.030 0.000 1.096 98 F CA 1.713 59.739 58.000 0.044 0.000 1.255 98 F CB -0.261 38.772 39.000 0.055 0.000 0.997 98 F HN 0.087 nan 8.300 nan 0.000 0.479 99 A N -0.402 122.523 122.820 0.175 0.000 2.081 99 A HA 0.336 4.656 4.320 0.000 0.000 0.214 99 A C 1.753 179.333 177.584 -0.005 0.000 1.158 99 A CA 0.699 52.785 52.037 0.081 0.000 0.724 99 A CB -1.183 17.900 19.000 0.139 0.000 0.826 99 A HN 0.962 nan 8.150 nan 0.000 0.463 100 G N -0.557 108.254 108.800 0.019 0.000 2.246 100 G HA2 -0.163 3.797 3.960 0.000 0.000 0.273 100 G HA3 -0.163 3.797 3.960 0.000 0.000 0.273 100 G C -0.316 174.631 174.900 0.077 0.000 1.055 100 G CA 0.684 45.813 45.100 0.049 0.000 0.851 100 G HN 0.843 nan 8.290 nan 0.000 0.500 101 D N -2.203 118.241 120.400 0.073 0.000 2.836 101 D HA 0.626 5.266 4.640 0.000 0.000 0.215 101 D C 0.810 177.121 176.300 0.019 0.000 1.255 101 D CA 0.373 54.434 54.000 0.102 0.000 0.822 101 D CB 0.444 41.313 40.800 0.114 0.000 1.656 101 D HN 0.552 nan 8.370 nan 0.000 0.511 102 A N 1.872 124.756 122.820 0.108 0.000 2.168 102 A HA 0.005 4.326 4.320 0.000 0.000 0.215 102 A C 1.970 179.570 177.584 0.027 0.000 1.152 102 A CA 1.469 53.525 52.037 0.031 0.000 0.716 102 A CB -0.645 18.482 19.000 0.212 0.000 0.794 102 A HN 0.597 nan 8.150 nan 0.000 0.465 103 S N 0.974 116.721 115.700 0.079 0.000 2.359 103 S HA -0.211 4.259 4.470 0.000 0.000 0.223 103 S C 2.149 176.758 174.600 0.015 0.000 1.039 103 S CA 1.579 59.818 58.200 0.066 0.000 1.042 103 S CB -1.078 62.192 63.200 0.117 0.000 0.915 103 S HN 1.034 nan 8.310 nan 0.000 0.439 104 A N 2.343 125.181 122.820 0.029 0.000 1.896 104 A HA -0.135 4.186 4.320 0.000 0.000 0.220 104 A C 2.303 179.933 177.584 0.077 0.000 1.206 104 A CA 2.093 54.181 52.037 0.085 0.000 0.647 104 A CB -1.175 17.926 19.000 0.169 0.000 0.828 104 A HN 0.588 nan 8.150 nan 0.000 0.455 105 L N -0.441 120.812 121.223 0.050 0.000 1.976 105 L HA -0.158 4.182 4.340 0.000 0.000 0.209 105 L C 2.335 179.149 176.870 -0.094 0.000 1.071 105 L CA 2.575 57.401 54.840 -0.024 0.000 0.746 105 L CB -0.804 41.231 42.059 -0.041 0.000 0.890 105 L HN 0.410 nan 8.230 nan 0.000 0.432 106 E N 0.259 120.435 120.200 -0.041 0.000 2.048 106 E HA -0.255 4.095 4.350 0.000 0.000 0.202 106 E C 1.949 178.504 176.600 -0.076 0.000 1.021 106 E CA 1.935 58.312 56.400 -0.038 0.000 0.825 106 E CB -0.588 29.117 29.700 0.009 0.000 0.756 106 E HN 0.611 nan 8.360 nan 0.000 0.454 107 D N -0.170 120.186 120.400 -0.073 0.000 2.123 107 D HA -0.082 4.558 4.640 0.000 0.000 0.200 107 D C 1.791 178.012 176.300 -0.131 0.000 0.976 107 D CA 0.904 54.853 54.000 -0.085 0.000 0.831 107 D CB -0.163 40.592 40.800 -0.074 0.000 0.974 107 D HN 0.129 nan 8.370 nan 0.000 0.469 108 R N -0.884 119.500 120.500 -0.195 0.000 2.334 108 R HA 0.237 4.577 4.340 0.000 0.000 0.216 108 R C 1.117 177.106 176.300 -0.519 0.000 0.905 108 R CA 0.000 55.935 56.100 -0.276 0.000 1.064 108 R CB 0.621 30.823 30.300 -0.163 0.000 1.046 108 R HN 0.211 nan 8.270 nan 0.000 0.508 109 C N -1.174 117.823 119.300 -0.505 0.000 3.108 109 C HA 0.244 4.704 4.460 0.000 0.000 0.459 109 C C 1.975 176.804 174.990 -0.268 0.000 1.439 109 C CA -0.199 58.509 59.018 -0.518 0.000 2.376 109 C CB -0.270 26.994 27.740 -0.793 0.000 2.844 109 C HN 0.315 nan 8.230 nan 0.000 0.516 110 L N 1.983 123.087 121.223 -0.197 0.000 2.109 110 L HA 0.045 4.385 4.340 0.000 0.000 0.207 110 L C 0.697 177.506 176.870 -0.101 0.000 1.086 110 L CA 1.113 55.884 54.840 -0.114 0.000 0.760 110 L CB -0.866 41.157 42.059 -0.061 0.000 0.910 110 L HN 0.506 nan 8.230 nan 0.000 0.437 111 N N 0.777 119.415 118.700 -0.102 0.000 2.438 111 N HA 0.157 4.898 4.740 0.000 0.000 0.267 111 N C 0.871 176.329 175.510 -0.087 0.000 1.222 111 N CA 1.124 54.128 53.050 -0.077 0.000 0.930 111 N CB 0.761 39.208 38.487 -0.066 0.000 1.083 111 N HN 0.345 nan 8.380 nan 0.000 0.476 112 G N 2.599 111.356 108.800 -0.072 0.000 2.199 112 G HA2 -0.311 3.649 3.960 0.000 0.000 0.254 112 G HA3 -0.311 3.649 3.960 0.000 0.000 0.254 112 G C 0.697 175.528 174.900 -0.115 0.000 0.982 112 G CA 0.379 45.432 45.100 -0.078 0.000 0.632 112 G HN 0.581 nan 8.290 nan 0.000 0.529 113 L N 1.264 122.399 121.223 -0.147 0.000 2.027 113 L HA 0.247 4.587 4.340 0.000 0.000 0.206 113 L C 2.725 179.454 176.870 -0.236 0.000 1.074 113 L CA 2.922 57.605 54.840 -0.261 0.000 0.745 113 L CB -0.795 41.109 42.059 -0.258 0.000 0.898 113 L HN 0.443 nan 8.230 nan 0.000 0.433 114 R N -0.146 120.309 120.500 -0.075 0.000 2.133 114 R HA -0.238 4.103 4.340 0.000 0.000 0.245 114 R C 2.044 178.355 176.300 0.018 0.000 1.137 114 R CA 2.245 58.358 56.100 0.022 0.000 0.947 114 R CB -0.421 29.898 30.300 0.033 0.000 0.865 114 R HN 0.611 nan 8.270 nan 0.000 0.437 115 E N -0.262 119.927 120.200 -0.018 0.000 2.153 115 E HA -0.141 4.209 4.350 0.000 0.000 0.194 115 E C 1.879 178.468 176.600 -0.018 0.000 0.988 115 E CA 1.759 58.153 56.400 -0.009 0.000 0.811 115 E CB -0.741 28.950 29.700 -0.014 0.000 0.746 115 E HN 0.400 nan 8.360 nan 0.000 0.466 116 T N 1.160 115.664 114.554 -0.083 0.000 2.674 116 T HA -0.143 4.207 4.350 0.000 0.000 0.265 116 T C 1.681 176.383 174.700 0.004 0.000 1.039 116 T CA 1.495 63.539 62.100 -0.094 0.000 1.150 116 T CB -0.468 68.268 68.868 -0.220 0.000 0.864 116 T HN 0.114 nan 8.240 nan 0.000 0.427 117 Y N 1.553 121.858 120.300 0.008 0.000 2.128 117 Y HA -0.115 4.435 4.550 0.000 0.000 0.284 117 Y C 3.095 179.003 175.900 0.014 0.000 1.154 117 Y CA 0.335 58.444 58.100 0.014 0.000 1.149 117 Y CB -1.257 37.213 38.460 0.017 0.000 0.976 117 Y HN 0.136 nan 8.280 nan 0.000 0.505 118 S N -0.429 115.371 115.700 0.166 0.000 2.368 118 S HA -0.303 4.167 4.470 0.000 0.000 0.226 118 S C 2.354 176.996 174.600 0.072 0.000 1.044 118 S CA 1.498 59.755 58.200 0.095 0.000 1.062 118 S CB -0.692 62.546 63.200 0.063 0.000 0.931 118 S HN 0.521 nan 8.310 nan 0.000 0.440 119 A N 0.640 123.495 122.820 0.060 0.000 1.908 119 A HA -0.047 4.274 4.320 0.000 0.000 0.218 119 A C 2.127 179.743 177.584 0.054 0.000 1.181 119 A CA 1.490 53.554 52.037 0.045 0.000 0.627 119 A CB -0.650 18.367 19.000 0.028 0.000 0.818 119 A HN 0.547 nan 8.150 nan 0.000 0.445 120 L N -1.879 119.393 121.223 0.081 0.000 2.240 120 L HA 0.155 4.495 4.340 0.000 0.000 0.211 120 L C 1.777 178.690 176.870 0.072 0.000 1.106 120 L CA 0.736 55.625 54.840 0.082 0.000 0.793 120 L CB -0.166 41.966 42.059 0.122 0.000 0.927 120 L HN 0.617 nan 8.230 nan 0.000 0.446 121 G N -0.182 108.662 108.800 0.074 0.000 2.131 121 G HA2 -0.230 3.730 3.960 0.000 0.000 0.223 121 G HA3 -0.230 3.730 3.960 0.000 0.000 0.223 121 G C 0.240 175.162 174.900 0.037 0.000 0.990 121 G CA 0.110 45.240 45.100 0.051 0.000 0.671 121 G HN 0.225 nan 8.290 nan 0.000 0.521 122 T N 3.213 117.795 114.554 0.048 0.000 2.814 122 T HA 0.478 4.828 4.350 0.000 0.000 0.297 122 T C -1.817 172.824 174.700 -0.099 0.000 0.956 122 T CA -0.406 61.661 62.100 -0.055 0.000 1.123 122 T CB 1.747 70.523 68.868 -0.153 0.000 0.902 122 T HN 0.212 nan 8.240 nan 0.000 0.528 123 P HA 0.166 nan 4.420 nan 0.000 0.271 123 P C 1.223 178.438 177.300 -0.142 0.000 1.380 123 P CA -0.201 62.851 63.100 -0.079 0.000 0.992 123 P CB 0.363 32.037 31.700 -0.043 0.000 1.230 124 G N 4.036 112.770 108.800 -0.110 0.000 2.503 124 G HA2 -0.354 3.606 3.960 0.000 0.000 0.221 124 G HA3 -0.354 3.606 3.960 0.000 0.000 0.221 124 G C 1.640 176.519 174.900 -0.035 0.000 1.131 124 G CA 1.226 46.282 45.100 -0.073 0.000 0.756 124 G HN 0.532 nan 8.290 nan 0.000 0.572 125 S N 0.419 116.109 115.700 -0.016 0.000 2.383 125 S HA -0.117 4.353 4.470 0.000 0.000 0.229 125 S C 2.422 177.010 174.600 -0.020 0.000 1.030 125 S CA 1.852 60.048 58.200 -0.006 0.000 1.002 125 S CB -0.475 62.724 63.200 -0.000 0.000 0.829 125 S HN 0.269 nan 8.310 nan 0.000 0.467 126 S N 1.612 117.288 115.700 -0.041 0.000 2.356 126 S HA -0.045 4.425 4.470 0.000 0.000 0.223 126 S C 2.006 176.570 174.600 -0.059 0.000 1.032 126 S CA 1.293 59.466 58.200 -0.045 0.000 1.005 126 S CB -0.740 62.436 63.200 -0.040 0.000 0.867 126 S HN 0.468 nan 8.310 nan 0.000 0.449 127 V N 2.339 122.195 119.914 -0.096 0.000 2.324 127 V HA -0.283 3.838 4.120 0.000 0.000 0.250 127 V C 2.662 178.755 176.094 -0.002 0.000 1.060 127 V CA 1.846 64.103 62.300 -0.072 0.000 1.042 127 V CB -1.387 30.361 31.823 -0.124 0.000 0.650 127 V HN 0.556 nan 8.190 nan 0.000 0.450 128 A N -0.217 122.609 122.820 0.010 0.000 1.902 128 A HA -0.157 4.163 4.320 0.000 0.000 0.217 128 A C 2.407 180.001 177.584 0.016 0.000 1.181 128 A CA 2.103 54.160 52.037 0.033 0.000 0.623 128 A CB -0.737 18.284 19.000 0.035 0.000 0.818 128 A HN 0.345 nan 8.150 nan 0.000 0.443 129 V N 0.069 119.979 119.914 -0.008 0.000 2.287 129 V HA -0.221 3.900 4.120 0.000 0.000 0.248 129 V C 2.832 178.903 176.094 -0.039 0.000 1.053 129 V CA 2.012 64.297 62.300 -0.024 0.000 1.027 129 V CB -1.614 30.189 31.823 -0.034 0.000 0.646 129 V HN 0.622 nan 8.190 nan 0.000 0.447 130 G N 0.055 108.825 108.800 -0.049 0.000 2.514 130 G HA2 -0.252 3.708 3.960 0.000 0.000 0.217 130 G HA3 -0.252 3.708 3.960 0.000 0.000 0.217 130 G C 1.686 176.581 174.900 -0.008 0.000 1.198 130 G CA 1.426 46.490 45.100 -0.059 0.000 0.780 130 G HN 0.369 nan 8.290 nan 0.000 0.565 131 V N 1.771 121.711 119.914 0.044 0.000 2.250 131 V HA -0.181 3.939 4.120 0.000 0.000 0.250 131 V C 3.177 179.315 176.094 0.074 0.000 1.060 131 V CA 2.274 64.645 62.300 0.119 0.000 1.030 131 V CB -1.306 30.610 31.823 0.155 0.000 0.643 131 V HN 0.480 nan 8.190 nan 0.000 0.445 132 G N -0.522 108.290 108.800 0.020 0.000 2.440 132 G HA2 -0.273 3.687 3.960 0.000 0.000 0.218 132 G HA3 -0.273 3.687 3.960 0.000 0.000 0.218 132 G C 1.661 176.500 174.900 -0.102 0.000 1.154 132 G CA 1.049 46.126 45.100 -0.039 0.000 0.767 132 G HN 0.505 nan 8.290 nan 0.000 0.552 133 K N -0.489 119.861 120.400 -0.083 0.000 2.057 133 K HA 0.070 4.390 4.320 0.000 0.000 0.207 133 K C 2.647 179.168 176.600 -0.132 0.000 1.049 133 K CA 1.091 57.318 56.287 -0.100 0.000 0.931 133 K CB -0.242 32.205 32.500 -0.088 0.000 0.714 133 K HN 0.266 nan 8.250 nan 0.000 0.440 134 M N 1.065 120.597 119.600 -0.114 0.000 2.106 134 M HA -0.238 4.242 4.480 0.000 0.000 0.259 134 M C 2.344 178.383 176.300 -0.434 0.000 1.068 134 M CA 1.582 56.807 55.300 -0.124 0.000 1.100 134 M CB -0.171 32.470 32.600 0.068 0.000 1.351 134 M HN 0.054 nan 8.290 nan 0.000 0.404 135 K N 0.473 120.436 120.400 -0.728 0.000 2.063 135 K HA -0.209 4.111 4.320 0.000 0.000 0.208 135 K C 1.654 177.892 176.600 -0.603 0.000 1.048 135 K CA 1.681 57.219 56.287 -1.248 0.000 0.928 135 K CB -0.104 31.940 32.500 -0.760 0.000 0.713 135 K HN 0.442 nan 8.250 nan 0.000 0.442 136 E N -0.412 119.589 120.200 -0.331 0.000 2.072 136 E HA -0.143 4.207 4.350 0.000 0.000 0.191 136 E C 1.887 178.392 176.600 -0.157 0.000 0.985 136 E CA 0.941 57.224 56.400 -0.195 0.000 0.801 136 E CB -0.024 29.596 29.700 -0.132 0.000 0.750 136 E HN 0.405 nan 8.360 nan 0.000 0.452 137 A N 1.243 123.971 122.820 -0.154 0.000 1.929 137 A HA -0.013 4.307 4.320 0.000 0.000 0.216 137 A C 2.318 179.854 177.584 -0.080 0.000 1.176 137 A CA 1.382 53.362 52.037 -0.095 0.000 0.628 137 A CB -0.422 18.534 19.000 -0.073 0.000 0.816 137 A HN 0.285 nan 8.150 nan 0.000 0.444 138 A N 0.063 122.808 122.820 -0.125 0.000 1.858 138 A HA -0.073 4.247 4.320 0.000 0.000 0.216 138 A C 2.166 179.734 177.584 -0.027 0.000 1.190 138 A CA 1.526 53.537 52.037 -0.043 0.000 0.617 138 A CB -0.738 18.256 19.000 -0.011 0.000 0.827 138 A HN 0.450 nan 8.150 nan 0.000 0.443 139 L N -0.779 120.392 121.223 -0.086 0.000 2.042 139 L HA -0.240 4.101 4.340 0.000 0.000 0.210 139 L C 3.102 179.957 176.870 -0.025 0.000 1.076 139 L CA 1.150 55.965 54.840 -0.042 0.000 0.749 139 L CB -0.550 41.464 42.059 -0.074 0.000 0.893 139 L HN 0.479 nan 8.230 nan 0.000 0.432 140 A N -0.050 122.747 122.820 -0.039 0.000 1.933 140 A HA -0.176 4.144 4.320 0.000 0.000 0.218 140 A C 2.185 179.764 177.584 -0.010 0.000 1.175 140 A CA 1.474 53.496 52.037 -0.025 0.000 0.628 140 A CB -0.555 18.426 19.000 -0.032 0.000 0.814 140 A HN 0.374 nan 8.150 nan 0.000 0.444 141 I N -0.336 120.231 120.570 -0.004 0.000 2.353 141 I HA -0.167 4.004 4.170 0.000 0.000 0.248 141 I C 2.503 178.632 176.117 0.020 0.000 1.119 141 I CA 1.279 62.584 61.300 0.009 0.000 1.417 141 I CB -0.023 37.987 38.000 0.016 0.000 1.078 141 I HN 0.321 nan 8.210 nan 0.000 0.421 142 V N -0.122 119.809 119.914 0.028 0.000 2.548 142 V HA -0.131 3.989 4.120 0.000 0.000 0.249 142 V C 1.757 177.865 176.094 0.024 0.000 1.055 142 V CA 1.852 64.174 62.300 0.037 0.000 1.065 142 V CB -0.599 31.258 31.823 0.057 0.000 0.681 142 V HN 0.404 nan 8.190 nan 0.000 0.462 143 N N 0.882 119.590 118.700 0.014 0.000 2.467 143 N HA 0.020 4.760 4.740 0.000 0.000 0.184 143 N C 0.339 175.852 175.510 0.006 0.000 1.106 143 N CA 0.741 53.796 53.050 0.009 0.000 0.892 143 N CB -0.393 38.094 38.487 0.001 0.000 0.969 143 N HN 0.742 nan 8.380 nan 0.000 0.454 144 D N 1.421 121.825 120.400 0.007 0.000 2.434 144 D HA 0.045 4.685 4.640 0.000 0.000 0.252 144 D C -1.537 174.767 176.300 0.007 0.000 1.185 144 D CA -1.348 52.655 54.000 0.005 0.000 0.886 144 D CB 1.220 42.024 40.800 0.005 0.000 1.148 144 D HN 0.032 nan 8.370 nan 0.000 0.483 145 P HA 0.070 nan 4.420 nan 0.000 0.223 145 P C -0.233 177.072 177.300 0.007 0.000 1.151 145 P CA 0.230 63.334 63.100 0.006 0.000 0.787 145 P CB 0.024 31.726 31.700 0.004 0.000 0.788 146 A N 0.635 123.459 122.820 0.006 0.000 2.584 146 A HA 0.353 4.673 4.320 0.000 0.000 0.239 146 A C 1.534 179.124 177.584 0.009 0.000 1.043 146 A CA 0.707 52.748 52.037 0.007 0.000 0.756 146 A CB -1.320 17.684 19.000 0.006 0.000 0.963 146 A HN 0.393 nan 8.150 nan 0.000 0.511 147 G N 0.989 109.794 108.800 0.009 0.000 2.249 147 G HA2 -0.203 3.757 3.960 0.000 0.000 0.273 147 G HA3 -0.203 3.757 3.960 0.000 0.000 0.273 147 G C -0.055 174.853 174.900 0.012 0.000 1.036 147 G CA 0.817 45.923 45.100 0.010 0.000 0.824 147 G HN 1.377 nan 8.290 nan 0.000 0.504 148 I N -1.003 119.574 120.570 0.012 0.000 2.913 148 I HA 0.417 4.587 4.170 0.000 0.000 0.302 148 I C 0.179 176.303 176.117 0.011 0.000 1.246 148 I CA -0.843 60.465 61.300 0.013 0.000 1.010 148 I CB 1.849 39.858 38.000 0.016 0.000 1.259 148 I HN 0.003 nan 8.210 nan 0.000 0.434 149 T N 6.288 120.849 114.554 0.012 0.000 2.834 149 T HA 0.244 4.594 4.350 0.000 0.000 0.298 149 T C -2.377 172.329 174.700 0.009 0.000 0.966 149 T CA -0.426 61.680 62.100 0.010 0.000 1.141 149 T CB 0.207 69.081 68.868 0.010 0.000 0.905 149 T HN 0.281 nan 8.240 nan 0.000 0.535 150 P HA 0.480 nan 4.420 nan 0.000 0.268 150 P C 0.081 177.385 177.300 0.007 0.000 1.204 150 P CA -0.028 63.076 63.100 0.007 0.000 0.768 150 P CB 0.631 32.334 31.700 0.005 0.000 0.842 151 G N 0.923 109.727 108.800 0.006 0.000 2.506 151 G HA2 0.349 4.309 3.960 0.000 0.000 0.292 151 G HA3 0.349 4.309 3.960 0.000 0.000 0.292 151 G C -1.984 172.919 174.900 0.005 0.000 1.425 151 G CA -0.645 44.459 45.100 0.006 0.000 0.788 151 G HN 0.475 nan 8.290 nan 0.000 0.490 152 D N -1.040 119.362 120.400 0.004 0.000 2.316 152 D HA 0.461 5.101 4.640 0.000 0.000 0.245 152 D C 0.656 176.958 176.300 0.004 0.000 1.171 152 D CA -0.259 53.743 54.000 0.003 0.000 0.856 152 D CB 0.721 41.521 40.800 0.001 0.000 1.090 152 D HN 0.332 nan 8.370 nan 0.000 0.476 153 C N 2.984 122.287 119.300 0.006 0.000 2.881 153 C HA 0.115 4.575 4.460 0.000 0.000 0.290 153 C C 2.196 177.190 174.990 0.006 0.000 1.362 153 C CA 0.095 59.118 59.018 0.009 0.000 1.757 153 C CB -1.557 26.191 27.740 0.015 0.000 2.265 153 C HN 0.785 nan 8.230 nan 0.000 0.600 154 S N 1.875 117.575 115.700 0.001 0.000 2.368 154 S HA -0.115 4.355 4.470 0.000 0.000 0.224 154 S C 2.067 176.663 174.600 -0.007 0.000 1.029 154 S CA 1.397 59.595 58.200 -0.003 0.000 0.988 154 S CB -0.412 62.785 63.200 -0.005 0.000 0.838 154 S HN 0.601 nan 8.310 nan 0.000 0.462 155 A N 2.149 124.964 122.820 -0.009 0.000 1.865 155 A HA 0.011 4.331 4.320 0.000 0.000 0.217 155 A C 2.278 179.851 177.584 -0.017 0.000 1.191 155 A CA 1.724 53.751 52.037 -0.015 0.000 0.623 155 A CB -1.101 17.890 19.000 -0.015 0.000 0.826 155 A HN 0.519 nan 8.150 nan 0.000 0.444 156 L N -0.185 121.035 121.223 -0.005 0.000 2.012 156 L HA -0.146 4.194 4.340 0.000 0.000 0.210 156 L C 2.742 179.620 176.870 0.012 0.000 1.073 156 L CA 2.294 57.138 54.840 0.007 0.000 0.748 156 L CB -0.740 41.332 42.059 0.022 0.000 0.891 156 L HN 0.378 nan 8.230 nan 0.000 0.431 157 A N -1.925 120.903 122.820 0.013 0.000 1.940 157 A HA -0.252 4.068 4.320 0.000 0.000 0.219 157 A C 2.536 180.121 177.584 0.002 0.000 1.176 157 A CA 2.067 54.115 52.037 0.018 0.000 0.631 157 A CB -1.008 17.998 19.000 0.010 0.000 0.814 157 A HN 0.538 nan 8.150 nan 0.000 0.446 158 S N -1.052 114.636 115.700 -0.021 0.000 2.371 158 S HA -0.156 4.314 4.470 0.000 0.000 0.224 158 S C 2.003 176.551 174.600 -0.088 0.000 1.029 158 S CA 1.357 59.533 58.200 -0.040 0.000 0.978 158 S CB -0.336 62.842 63.200 -0.038 0.000 0.833 158 S HN 0.666 nan 8.310 nan 0.000 0.466 159 E N 0.320 120.451 120.200 -0.116 0.000 2.070 159 E HA -0.186 4.164 4.350 0.000 0.000 0.197 159 E C 1.934 178.302 176.600 -0.386 0.000 1.004 159 E CA 1.767 58.008 56.400 -0.264 0.000 0.805 159 E CB -0.255 29.342 29.700 -0.172 0.000 0.744 159 E HN 0.624 nan 8.360 nan 0.000 0.451 160 I N 0.600 121.119 120.570 -0.087 0.000 2.252 160 I HA -0.240 3.930 4.170 0.000 0.000 0.245 160 I C 2.600 178.843 176.117 0.210 0.000 1.102 160 I CA 0.898 62.268 61.300 0.117 0.000 1.385 160 I CB -0.362 37.770 38.000 0.221 0.000 1.064 160 I HN 0.166 nan 8.210 nan 0.000 0.414 161 A N 1.165 124.060 122.820 0.124 0.000 1.908 161 A HA -0.183 4.137 4.320 0.000 0.000 0.218 161 A C 2.453 180.100 177.584 0.104 0.000 1.181 161 A CA 2.074 54.192 52.037 0.136 0.000 0.627 161 A CB -1.584 17.437 19.000 0.034 0.000 0.818 161 A HN 0.468 nan 8.150 nan 0.000 0.445 162 G N -1.060 107.705 108.800 -0.058 0.000 2.553 162 G HA2 -0.313 3.647 3.960 0.000 0.000 0.218 162 G HA3 -0.313 3.647 3.960 0.000 0.000 0.218 162 G C 1.421 176.308 174.900 -0.022 0.000 1.195 162 G CA 1.467 46.498 45.100 -0.114 0.000 0.779 162 G HN 0.523 nan 8.290 nan 0.000 0.577 163 Y N 0.145 120.483 120.300 0.063 0.000 2.128 163 Y HA -0.024 4.526 4.550 0.000 0.000 0.284 163 Y C 2.634 178.526 175.900 -0.013 0.000 1.154 163 Y CA 0.695 58.789 58.100 -0.010 0.000 1.149 163 Y CB -1.213 37.195 38.460 -0.086 0.000 0.976 163 Y HN 0.188 nan 8.280 nan 0.000 0.505 164 F N 0.459 120.503 119.950 0.157 0.000 2.126 164 F HA -0.229 4.298 4.527 0.000 0.000 0.299 164 F C 2.190 178.032 175.800 0.070 0.000 1.096 164 F CA 1.779 59.837 58.000 0.097 0.000 1.255 164 F CB -0.565 38.472 39.000 0.061 0.000 0.997 164 F HN 0.031 nan 8.300 nan 0.000 0.479 165 D N -0.051 120.494 120.400 0.242 0.000 2.123 165 D HA -0.169 4.471 4.640 0.000 0.000 0.196 165 D C 2.371 178.738 176.300 0.111 0.000 0.992 165 D CA 1.262 55.346 54.000 0.139 0.000 0.833 165 D CB -0.372 40.480 40.800 0.087 0.000 0.954 165 D HN 0.358 nan 8.370 nan 0.000 0.455 166 R N 0.915 121.481 120.500 0.110 0.000 2.115 166 R HA 0.117 4.457 4.340 0.000 0.000 0.226 166 R C 2.133 178.482 176.300 0.082 0.000 1.100 166 R CA 1.188 57.341 56.100 0.089 0.000 0.980 166 R CB -0.480 29.873 30.300 0.089 0.000 0.875 166 R HN 0.034 nan 8.270 nan 0.000 0.445 167 A N 2.019 124.895 122.820 0.093 0.000 1.883 167 A HA -0.080 4.240 4.320 0.000 0.000 0.217 167 A C 2.564 180.207 177.584 0.098 0.000 1.186 167 A CA 1.920 54.005 52.037 0.080 0.000 0.624 167 A CB -0.747 18.294 19.000 0.070 0.000 0.822 167 A HN 0.539 nan 8.150 nan 0.000 0.444 168 A N -0.262 122.628 122.820 0.115 0.000 1.902 168 A HA 0.180 4.500 4.320 0.000 0.000 0.217 168 A C 2.510 180.140 177.584 0.077 0.000 1.181 168 A CA 2.054 54.149 52.037 0.097 0.000 0.623 168 A CB -1.057 17.998 19.000 0.091 0.000 0.818 168 A HN 1.138 nan 8.150 nan 0.000 0.443 169 A N -0.272 122.590 122.820 0.069 0.000 1.978 169 A HA 0.129 4.449 4.320 0.000 0.000 0.220 169 A C 2.385 180.002 177.584 0.055 0.000 1.170 169 A CA 2.099 54.170 52.037 0.056 0.000 0.636 169 A CB -0.773 18.257 19.000 0.049 0.000 0.810 169 A HN 1.057 nan 8.150 nan 0.000 0.448 170 A N -0.591 122.264 122.820 0.059 0.000 2.021 170 A HA 0.373 4.693 4.320 0.000 0.000 0.216 170 A C 1.216 178.836 177.584 0.060 0.000 1.163 170 A CA 1.047 53.112 52.037 0.046 0.000 0.676 170 A CB -0.817 18.201 19.000 0.030 0.000 0.818 170 A HN 1.048 nan 8.150 nan 0.000 0.453 171 V N -4.095 115.879 119.914 0.099 0.000 3.093 171 V HA 0.869 4.989 4.120 0.000 0.000 0.320 171 V C -0.028 176.145 176.094 0.131 0.000 1.093 171 V CA -0.007 62.398 62.300 0.175 0.000 1.016 171 V CB 1.022 33.019 31.823 0.289 0.000 1.096 171 V HN 0.938 nan 8.190 nan 0.000 0.452 172 S N 0.000 115.774 115.700 0.123 0.000 2.498 172 S HA 0.000 4.470 4.470 0.000 0.000 0.327 172 S CA 0.000 58.240 58.200 0.068 0.000 1.107 172 S CB 0.000 63.235 63.200 0.058 0.000 0.593 172 S HN 0.000 nan 8.310 nan 0.000 0.517