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 3c91_1_U DATA FIRST_RESID 7 DATA SEQUENCE AYDRAITVFS PDGRLFQVEY AREAVKKGST ALGMKFANGV LLISDKKVRS DATA SEQUENCE RLIEQNSIEK IQLIDDYVAA VTSGLVADAR VLVDFARISA QQEKVTYGSL DATA SEQUENCE VNIENLVKRV ADQMQQYTQY GGVRPYGVSL IFAGIDQIGP RLFDCDPAGT DATA SEQUENCE INEYKATAIG SGKDAVVSFL EREYKENLPE KEAVTLGIKA LKSSLEEGEE DATA SEQUENCE LKAPEIASIT VGNKYRIYDQ EEVKKFL 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.321 177.584 -0.438 0.000 1.274 7 A CA 0.000 51.823 52.037 -0.357 0.000 0.836 7 A CB 0.000 18.677 19.000 -0.539 0.000 0.831 8 Y N 1.998 122.261 120.300 -0.062 0.000 2.457 8 Y HA 0.203 4.752 4.550 -0.001 0.000 0.263 8 Y C 1.041 176.851 175.900 -0.150 0.000 1.164 8 Y CA 0.492 58.567 58.100 -0.042 0.000 1.274 8 Y CB 0.616 39.107 38.460 0.051 0.000 1.097 8 Y HN 0.488 nan 8.280 nan 0.000 0.523 9 D N -1.227 119.108 120.400 -0.109 0.000 2.593 9 D HA 0.091 4.730 4.640 -0.001 0.000 0.241 9 D C 1.166 177.577 176.300 0.185 0.000 1.257 9 D CA -0.000 53.951 54.000 -0.081 0.000 0.828 9 D CB 0.177 40.884 40.800 -0.155 0.000 1.049 9 D HN 0.071 nan 8.370 nan 0.000 0.490 10 R N 0.178 120.739 120.500 0.102 0.000 2.307 10 R HA 0.458 4.797 4.340 -0.001 0.000 0.200 10 R C 0.399 176.763 176.300 0.107 0.000 0.893 10 R CA 0.109 56.265 56.100 0.093 0.000 1.042 10 R CB 0.794 31.106 30.300 0.019 0.000 1.059 10 R HN 0.205 nan 8.270 nan 0.000 0.530 11 A N 0.649 123.532 122.820 0.104 0.000 2.393 11 A HA 0.479 4.799 4.320 -0.001 0.000 0.306 11 A C 0.255 177.882 177.584 0.071 0.000 1.050 11 A CA -0.582 51.501 52.037 0.076 0.000 0.724 11 A CB 1.323 20.352 19.000 0.048 0.000 1.248 11 A HN 0.056 nan 8.150 nan 0.000 0.424 12 I N 1.543 122.139 120.570 0.044 0.000 3.251 12 I HA 0.006 4.175 4.170 -0.001 0.000 0.277 12 I C 1.173 177.265 176.117 -0.041 0.000 1.268 12 I CA 1.124 62.425 61.300 0.002 0.000 1.449 12 I CB -0.043 37.958 38.000 0.001 0.000 1.083 12 I HN 0.627 nan 8.210 nan 0.000 0.464 13 T N -0.325 114.211 114.554 -0.030 0.000 2.814 13 T HA 0.552 4.901 4.350 -0.001 0.000 0.297 13 T C -0.235 174.408 174.700 -0.096 0.000 0.956 13 T CA -0.453 61.605 62.100 -0.069 0.000 1.123 13 T CB 0.718 69.565 68.868 -0.035 0.000 0.902 13 T HN 0.068 nan 8.240 nan 0.000 0.528 14 V N 2.481 122.269 119.914 -0.210 0.000 2.913 14 V HA -0.073 4.046 4.120 -0.001 0.000 0.425 14 V C -0.628 175.369 176.094 -0.161 0.000 0.684 14 V CA -1.089 61.136 62.300 -0.126 0.000 1.956 14 V CB -1.350 30.473 31.823 0.000 0.000 2.454 14 V HN 0.896 nan 8.190 nan 0.000 0.485 15 F N 3.699 123.646 119.950 -0.006 0.000 2.399 15 F HA 0.607 5.133 4.527 -0.001 0.000 0.342 15 F C 1.225 177.022 175.800 -0.006 0.000 1.106 15 F CA 0.631 58.606 58.000 -0.041 0.000 1.196 15 F CB 1.633 40.600 39.000 -0.055 0.000 1.163 15 F HN 0.715 nan 8.300 nan 0.000 0.547 16 S N 2.641 118.435 115.700 0.157 0.000 2.632 16 S HA 0.311 4.780 4.470 -0.001 0.000 0.267 16 S C -2.031 172.550 174.600 -0.032 0.000 1.276 16 S CA -1.212 57.048 58.200 0.099 0.000 0.998 16 S CB 1.123 64.405 63.200 0.137 0.000 0.953 16 S HN 0.386 nan 8.310 nan 0.000 0.547 17 P HA -0.080 nan 4.420 nan 0.000 0.224 17 P C 0.390 177.615 177.300 -0.126 0.000 1.142 17 P CA 1.098 64.082 63.100 -0.192 0.000 0.778 17 P CB -0.112 31.374 31.700 -0.356 0.000 0.764 18 D N -2.981 117.355 120.400 -0.107 0.000 2.395 18 D HA 0.151 4.791 4.640 -0.001 0.000 0.213 18 D C 0.904 177.145 176.300 -0.099 0.000 1.110 18 D CA 0.096 54.044 54.000 -0.087 0.000 0.835 18 D CB -0.226 40.540 40.800 -0.058 0.000 0.965 18 D HN 0.100 nan 8.370 nan 0.000 0.505 19 G N 1.372 110.115 108.800 -0.095 0.000 2.248 19 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.263 19 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.263 19 G C -0.216 174.672 174.900 -0.019 0.000 1.082 19 G CA -0.405 44.638 45.100 -0.095 0.000 0.863 19 G HN 0.384 nan 8.290 nan 0.000 0.495 20 R N -1.057 119.402 120.500 -0.068 0.000 2.673 20 R HA 0.553 4.892 4.340 -0.001 0.000 0.281 20 R C -0.469 175.634 176.300 -0.327 0.000 0.991 20 R CA -1.157 54.798 56.100 -0.242 0.000 0.896 20 R CB 1.245 31.218 30.300 -0.545 0.000 1.201 20 R HN 0.045 nan 8.270 nan 0.000 0.457 21 L N 4.079 125.128 121.223 -0.291 0.000 2.358 21 L HA 0.195 4.535 4.340 -0.001 0.000 0.274 21 L C 0.735 177.401 176.870 -0.341 0.000 1.136 21 L CA 0.103 54.764 54.840 -0.298 0.000 0.970 21 L CB -0.721 41.186 42.059 -0.253 0.000 1.314 21 L HN 0.721 nan 8.230 nan 0.000 0.427 22 F N 0.403 120.208 119.950 -0.242 0.000 2.154 22 F HA -0.256 4.271 4.527 -0.001 0.000 0.301 22 F C 2.346 177.688 175.800 -0.765 0.000 1.087 22 F CA 1.359 59.056 58.000 -0.505 0.000 1.274 22 F CB -0.150 38.563 39.000 -0.478 0.000 1.009 22 F HN 0.512 nan 8.300 nan 0.000 0.485 23 Q N -0.091 119.543 119.800 -0.276 0.000 2.096 23 Q HA -0.173 4.166 4.340 -0.001 0.000 0.204 23 Q C 2.684 178.623 176.000 -0.102 0.000 0.982 23 Q CA 1.405 57.107 55.803 -0.169 0.000 0.850 23 Q CB -1.105 27.604 28.738 -0.049 0.000 0.901 23 Q HN 0.361 nan 8.270 nan 0.000 0.422 24 V N 1.298 121.146 119.914 -0.110 0.000 2.515 24 V HA -0.207 3.913 4.120 -0.001 0.000 0.250 24 V C 1.989 178.067 176.094 -0.027 0.000 1.058 24 V CA 1.537 63.807 62.300 -0.050 0.000 1.064 24 V CB -0.116 31.672 31.823 -0.058 0.000 0.675 24 V HN 0.314 nan 8.190 nan 0.000 0.461 25 E N -0.344 119.807 120.200 -0.082 0.000 2.015 25 E HA -0.195 4.155 4.350 -0.001 0.000 0.191 25 E C 2.174 178.875 176.600 0.168 0.000 0.991 25 E CA 1.542 57.948 56.400 0.011 0.000 0.802 25 E CB -0.667 29.032 29.700 -0.002 0.000 0.759 25 E HN 0.671 nan 8.360 nan 0.000 0.447 26 Y N 1.126 121.488 120.300 0.105 0.000 2.193 26 Y HA -0.177 4.373 4.550 -0.001 0.000 0.285 26 Y C 2.472 178.402 175.900 0.050 0.000 1.166 26 Y CA 0.492 58.639 58.100 0.077 0.000 1.181 26 Y CB -1.447 37.058 38.460 0.074 0.000 0.976 26 Y HN 0.036 nan 8.280 nan 0.000 0.520 27 A N 0.495 123.434 122.820 0.198 0.000 1.858 27 A HA -0.230 4.090 4.320 -0.001 0.000 0.216 27 A C 2.394 180.035 177.584 0.096 0.000 1.190 27 A CA 1.790 53.896 52.037 0.116 0.000 0.617 27 A CB -0.715 18.331 19.000 0.076 0.000 0.827 27 A HN 0.416 nan 8.150 nan 0.000 0.443 28 R N -0.403 120.150 120.500 0.090 0.000 2.133 28 R HA -0.175 4.164 4.340 -0.001 0.000 0.247 28 R C 2.060 178.404 176.300 0.074 0.000 1.151 28 R CA 1.481 57.624 56.100 0.072 0.000 0.971 28 R CB -0.414 29.926 30.300 0.066 0.000 0.866 28 R HN 0.505 nan 8.270 nan 0.000 0.447 29 E N 0.735 120.995 120.200 0.101 0.000 2.049 29 E HA -0.216 4.134 4.350 -0.001 0.000 0.198 29 E C 2.115 178.747 176.600 0.054 0.000 1.007 29 E CA 1.631 58.079 56.400 0.081 0.000 0.809 29 E CB -0.465 29.293 29.700 0.096 0.000 0.749 29 E HN 0.395 nan 8.360 nan 0.000 0.450 30 A N 1.230 124.084 122.820 0.057 0.000 1.948 30 A HA -0.207 4.112 4.320 -0.001 0.000 0.220 30 A C 2.559 180.160 177.584 0.027 0.000 1.177 30 A CA 2.427 54.486 52.037 0.037 0.000 0.636 30 A CB -0.942 18.083 19.000 0.041 0.000 0.815 30 A HN 0.248 nan 8.150 nan 0.000 0.449 31 V N -2.022 117.909 119.914 0.030 0.000 2.548 31 V HA -0.177 3.942 4.120 -0.001 0.000 0.249 31 V C 1.967 178.066 176.094 0.009 0.000 1.055 31 V CA 2.323 64.633 62.300 0.016 0.000 1.065 31 V CB -0.779 31.053 31.823 0.015 0.000 0.681 31 V HN 0.516 nan 8.190 nan 0.000 0.462 32 K N 0.786 121.197 120.400 0.017 0.000 2.103 32 K HA -0.107 4.213 4.320 -0.001 0.000 0.207 32 K C 1.984 178.588 176.600 0.007 0.000 1.048 32 K CA 1.911 58.206 56.287 0.013 0.000 0.930 32 K CB -0.269 32.245 32.500 0.022 0.000 0.716 32 K HN 0.508 nan 8.250 nan 0.000 0.444 33 K N 0.751 121.156 120.400 0.009 0.000 2.569 33 K HA 0.028 4.348 4.320 -0.001 0.000 0.193 33 K C 0.757 177.356 176.600 -0.001 0.000 1.026 33 K CA -0.022 56.267 56.287 0.004 0.000 1.093 33 K CB 0.362 32.866 32.500 0.006 0.000 0.849 33 K HN 0.129 nan 8.250 nan 0.000 0.509 34 G N 0.257 109.054 108.800 -0.004 0.000 2.502 34 G HA2 0.147 4.106 3.960 -0.001 0.000 0.305 34 G HA3 0.147 4.106 3.960 -0.001 0.000 0.305 34 G C -0.449 174.441 174.900 -0.017 0.000 1.190 34 G CA -0.587 44.507 45.100 -0.011 0.000 0.933 34 G HN 0.084 nan 8.290 nan 0.000 0.503 35 S N -1.547 114.140 115.700 -0.023 0.000 2.587 35 S HA 0.326 4.795 4.470 -0.001 0.000 0.260 35 S C 0.633 175.211 174.600 -0.035 0.000 1.353 35 S CA 0.215 58.399 58.200 -0.027 0.000 0.995 35 S CB 0.656 63.838 63.200 -0.030 0.000 0.912 35 S HN 0.740 nan 8.310 nan 0.000 0.568 36 T N 1.114 115.646 114.554 -0.038 0.000 2.829 36 T HA 0.696 5.046 4.350 -0.001 0.000 0.282 36 T C -0.641 174.022 174.700 -0.062 0.000 0.990 36 T CA -0.011 62.061 62.100 -0.047 0.000 1.028 36 T CB 0.604 69.449 68.868 -0.039 0.000 0.951 36 T HN 0.950 nan 8.240 nan 0.000 0.460 37 A N 3.893 126.667 122.820 -0.077 0.000 2.606 37 A HA 0.872 5.191 4.320 -0.001 0.000 0.293 37 A C -1.330 176.189 177.584 -0.108 0.000 1.082 37 A CA -0.892 51.090 52.037 -0.092 0.000 0.685 37 A CB 1.195 20.137 19.000 -0.095 0.000 1.284 37 A HN 1.284 nan 8.150 nan 0.000 0.408 38 L N -1.911 119.244 121.223 -0.115 0.000 2.801 38 L HA 1.071 5.411 4.340 -0.001 0.000 0.264 38 L C -0.175 176.626 176.870 -0.115 0.000 1.086 38 L CA -0.349 54.414 54.840 -0.129 0.000 0.920 38 L CB 1.550 43.532 42.059 -0.129 0.000 1.529 38 L HN 1.643 nan 8.230 nan 0.000 0.399 39 G N 0.251 108.981 108.800 -0.116 0.000 2.623 39 G HA2 0.723 4.682 3.960 -0.001 0.000 0.290 39 G HA3 0.723 4.682 3.960 -0.001 0.000 0.290 39 G C -1.558 173.297 174.900 -0.074 0.000 1.437 39 G CA -0.353 44.702 45.100 -0.075 0.000 0.798 39 G HN 1.181 nan 8.290 nan 0.000 0.488 40 M N -0.916 118.675 119.600 -0.014 0.000 2.605 40 M HA 0.580 5.059 4.480 -0.001 0.000 0.281 40 M C -1.620 174.714 176.300 0.058 0.000 1.166 40 M CA -1.075 54.224 55.300 -0.001 0.000 0.875 40 M CB 1.890 34.530 32.600 0.066 0.000 1.732 40 M HN 0.333 nan 8.290 nan 0.000 0.504 41 K N 1.429 121.848 120.400 0.032 0.000 2.154 41 K HA 0.732 5.051 4.320 -0.001 0.000 0.264 41 K C -1.055 175.636 176.600 0.151 0.000 1.008 41 K CA -0.232 56.033 56.287 -0.038 0.000 0.937 41 K CB 0.863 33.342 32.500 -0.035 0.000 1.002 41 K HN 0.571 nan 8.250 nan 0.000 0.469 42 F N -1.177 118.822 119.950 0.081 0.000 3.205 42 F HA 0.606 5.133 4.527 -0.001 0.000 0.336 42 F C 1.161 176.981 175.800 0.034 0.000 1.255 42 F CA -0.725 57.315 58.000 0.066 0.000 0.998 42 F CB -0.338 38.688 39.000 0.042 0.000 1.531 42 F HN 0.493 nan 8.300 nan 0.000 0.521 43 A N 0.784 123.995 122.820 0.652 0.000 1.906 43 A HA -0.344 3.975 4.320 -0.001 0.000 0.236 43 A C 1.162 178.850 177.584 0.173 0.000 1.793 43 A CA 2.855 55.115 52.037 0.372 0.000 0.813 43 A CB -1.632 17.602 19.000 0.390 0.000 0.841 43 A HN 0.846 nan 8.150 nan 0.000 0.491 44 N N -1.815 116.973 118.700 0.146 0.000 2.547 44 N HA 0.428 5.167 4.740 -0.001 0.000 0.285 44 N C -0.149 175.264 175.510 -0.162 0.000 1.600 44 N CA 0.284 53.328 53.050 -0.010 0.000 0.872 44 N CB 0.692 39.209 38.487 0.049 0.000 1.412 44 N HN 0.754 nan 8.380 nan 0.000 0.489 45 G N -0.273 108.190 108.800 -0.560 0.000 2.578 45 G HA2 0.515 4.474 3.960 -0.001 0.000 0.302 45 G HA3 0.515 4.474 3.960 -0.001 0.000 0.302 45 G C -2.045 172.164 174.900 -1.151 0.000 1.243 45 G CA -0.267 44.395 45.100 -0.730 0.000 0.843 45 G HN 0.083 nan 8.290 nan 0.000 0.486 46 V N -0.179 119.199 119.914 -0.893 0.000 3.120 46 V HA 0.830 4.949 4.120 -0.001 0.000 0.303 46 V C -1.520 174.505 176.094 -0.115 0.000 1.238 46 V CA -0.429 61.556 62.300 -0.524 0.000 1.008 46 V CB 1.873 33.557 31.823 -0.232 0.000 1.064 46 V HN 1.482 nan 8.190 nan 0.000 0.434 47 L N 3.667 124.962 121.223 0.120 0.000 2.350 47 L HA 0.939 5.278 4.340 -0.001 0.000 0.260 47 L C -1.937 174.981 176.870 0.079 0.000 1.015 47 L CA -0.798 54.152 54.840 0.184 0.000 0.821 47 L CB 2.137 44.331 42.059 0.225 0.000 1.370 47 L HN 0.626 nan 8.230 nan 0.000 0.416 48 L N 2.753 124.003 121.223 0.045 0.000 2.381 48 L HA 0.776 5.116 4.340 -0.001 0.000 0.268 48 L C -1.128 175.687 176.870 -0.092 0.000 0.997 48 L CA -0.353 54.475 54.840 -0.020 0.000 0.818 48 L CB 1.970 44.026 42.059 -0.004 0.000 1.310 48 L HN 0.745 nan 8.230 nan 0.000 0.416 49 I N 1.986 122.490 120.570 -0.109 0.000 2.610 49 I HA 0.655 4.824 4.170 -0.001 0.000 0.289 49 I C -1.400 174.651 176.117 -0.109 0.000 1.163 49 I CA 0.161 61.381 61.300 -0.133 0.000 1.044 49 I CB 2.109 40.010 38.000 -0.165 0.000 1.251 49 I HN 0.479 nan 8.210 nan 0.000 0.424 50 S N 4.723 120.365 115.700 -0.098 0.000 2.542 50 S HA 0.564 5.033 4.470 -0.001 0.000 0.293 50 S C -1.325 173.235 174.600 -0.066 0.000 1.089 50 S CA -0.601 57.551 58.200 -0.081 0.000 0.961 50 S CB 1.215 64.369 63.200 -0.076 0.000 1.062 50 S HN 0.696 nan 8.310 nan 0.000 0.483 51 D N 2.559 122.925 120.400 -0.056 0.000 2.336 51 D HA 0.159 4.798 4.640 -0.001 0.000 0.249 51 D C -0.372 175.908 176.300 -0.033 0.000 1.213 51 D CA 0.058 54.033 54.000 -0.042 0.000 0.870 51 D CB 0.518 41.296 40.800 -0.036 0.000 1.076 51 D HN 0.455 nan 8.370 nan 0.000 0.483 52 K N 4.092 124.476 120.400 -0.027 0.000 2.184 52 K HA 0.133 4.452 4.320 -0.001 0.000 0.259 52 K C -0.276 176.316 176.600 -0.013 0.000 1.119 52 K CA -0.466 55.809 56.287 -0.020 0.000 0.991 52 K CB 0.111 32.601 32.500 -0.017 0.000 1.522 52 K HN 0.240 nan 8.250 nan 0.000 0.405 53 K N 2.686 123.078 120.400 -0.013 0.000 2.284 53 K HA 0.141 4.461 4.320 -0.001 0.000 0.287 53 K C -0.527 176.069 176.600 -0.007 0.000 1.081 53 K CA -0.371 55.911 56.287 -0.009 0.000 0.910 53 K CB 1.645 34.139 32.500 -0.009 0.000 1.088 53 K HN 0.195 nan 8.250 nan 0.000 0.478 54 V N 3.221 123.133 119.914 -0.004 0.000 2.850 54 V HA 0.389 4.508 4.120 -0.001 0.000 0.315 54 V C 0.387 176.481 176.094 -0.001 0.000 1.064 54 V CA -0.318 61.980 62.300 -0.002 0.000 0.979 54 V CB 1.762 33.585 31.823 -0.001 0.000 1.039 54 V HN 0.798 nan 8.190 nan 0.000 0.452 55 R N 2.472 122.971 120.500 -0.001 0.000 1.747 55 R HA 0.429 4.768 4.340 -0.001 0.000 0.136 55 R C 1.024 177.324 176.300 0.001 0.000 2.116 55 R CA 1.006 57.106 56.100 -0.000 0.000 1.739 55 R CB -0.579 29.721 30.300 -0.001 0.000 1.333 55 R HN 0.737 nan 8.270 nan 0.000 0.480 56 S N 0.224 115.924 115.700 0.000 0.000 2.576 56 S HA 0.039 4.508 4.470 -0.001 0.000 0.272 56 S C 0.849 175.450 174.600 0.001 0.000 1.352 56 S CA -0.102 58.098 58.200 0.001 0.000 1.021 56 S CB 0.463 63.664 63.200 0.001 0.000 0.887 56 S HN 0.391 nan 8.310 nan 0.000 0.542 57 R N 1.859 122.360 120.500 0.002 0.000 2.193 57 R HA 0.049 4.389 4.340 -0.001 0.000 0.213 57 R C 1.318 177.619 176.300 0.002 0.000 1.055 57 R CA 0.542 56.644 56.100 0.002 0.000 0.995 57 R CB -0.327 29.974 30.300 0.002 0.000 0.893 57 R HN 0.443 nan 8.270 nan 0.000 0.459 58 L N 0.766 121.990 121.223 0.002 0.000 2.551 58 L HA 0.033 4.372 4.340 -0.001 0.000 0.228 58 L C 0.690 177.561 176.870 0.002 0.000 1.153 58 L CA 0.786 55.627 54.840 0.002 0.000 0.851 58 L CB -0.307 41.753 42.059 0.001 0.000 0.959 58 L HN 0.070 nan 8.230 nan 0.000 0.451 59 I N -0.003 120.568 120.570 0.001 0.000 2.581 59 I HA 0.035 4.204 4.170 -0.001 0.000 0.288 59 I C 1.161 177.279 176.117 0.002 0.000 1.047 59 I CA -0.091 61.210 61.300 0.001 0.000 1.374 59 I CB 0.670 38.670 38.000 0.000 0.000 1.423 59 I HN 0.074 nan 8.210 nan 0.000 0.549 60 E N 5.044 125.245 120.200 0.002 0.000 2.545 60 E HA 0.005 4.354 4.350 -0.001 0.000 0.271 60 E C 0.810 177.411 176.600 0.002 0.000 1.508 60 E CA -0.166 56.235 56.400 0.002 0.000 1.774 60 E CB -0.152 29.549 29.700 0.002 0.000 1.460 60 E HN 0.585 nan 8.360 nan 0.000 0.449 61 Q N -0.129 119.672 119.800 0.003 0.000 2.375 61 Q HA -0.433 3.906 4.340 -0.001 0.000 0.443 61 Q C 1.258 177.259 176.000 0.002 0.000 0.608 61 Q CA 2.040 57.845 55.803 0.003 0.000 0.954 61 Q CB -1.354 27.388 28.738 0.006 0.000 2.600 61 Q HN 0.371 nan 8.270 nan 0.000 0.974 62 N N 0.673 119.375 118.700 0.004 0.000 2.144 62 N HA -0.249 4.491 4.740 -0.001 0.000 0.195 62 N C 1.298 176.808 175.510 -0.001 0.000 1.006 62 N CA 2.427 55.479 53.050 0.003 0.000 0.880 62 N CB -0.451 38.041 38.487 0.007 0.000 1.018 62 N HN 0.539 nan 8.380 nan 0.000 0.443 63 S N 0.663 116.363 115.700 -0.000 0.000 2.423 63 S HA -0.131 4.338 4.470 -0.001 0.000 0.238 63 S C 1.410 176.007 174.600 -0.005 0.000 1.028 63 S CA 0.697 58.896 58.200 -0.002 0.000 1.000 63 S CB -0.302 62.898 63.200 0.000 0.000 0.797 63 S HN 0.525 nan 8.310 nan 0.000 0.487 64 I N 2.672 123.239 120.570 -0.006 0.000 2.571 64 I HA 0.062 4.231 4.170 -0.001 0.000 0.282 64 I C -0.457 175.651 176.117 -0.015 0.000 1.085 64 I CA -0.231 61.064 61.300 -0.009 0.000 1.677 64 I CB -0.206 37.789 38.000 -0.008 0.000 1.460 64 I HN -0.019 nan 8.210 nan 0.000 0.693 65 E N 3.839 124.029 120.200 -0.017 0.000 2.299 65 E HA 0.028 4.377 4.350 -0.001 0.000 0.272 65 E C 0.415 176.994 176.600 -0.034 0.000 1.043 65 E CA 0.161 56.547 56.400 -0.025 0.000 0.895 65 E CB 1.143 30.829 29.700 -0.024 0.000 1.011 65 E HN 0.554 nan 8.360 nan 0.000 0.432 66 K N 2.073 122.448 120.400 -0.043 0.000 2.242 66 K HA 0.218 4.538 4.320 -0.001 0.000 0.200 66 K C 0.778 177.334 176.600 -0.073 0.000 1.050 66 K CA 0.335 56.590 56.287 -0.054 0.000 0.981 66 K CB 0.487 32.955 32.500 -0.053 0.000 0.795 66 K HN 0.386 nan 8.250 nan 0.000 0.477 67 I N 2.622 123.144 120.570 -0.079 0.000 2.312 67 I HA 0.059 4.228 4.170 -0.001 0.000 0.291 67 I C -0.379 175.674 176.117 -0.107 0.000 1.031 67 I CA -0.122 61.115 61.300 -0.106 0.000 1.293 67 I CB 1.023 38.956 38.000 -0.112 0.000 1.403 67 I HN 0.118 nan 8.210 nan 0.000 0.484 68 Q N 5.974 125.707 119.800 -0.111 0.000 2.345 68 Q HA 0.577 4.916 4.340 -0.001 0.000 0.268 68 Q C -0.997 174.936 176.000 -0.112 0.000 1.054 68 Q CA -0.886 54.862 55.803 -0.091 0.000 0.835 68 Q CB 3.153 31.858 28.738 -0.055 0.000 1.339 68 Q HN 0.547 nan 8.270 nan 0.000 0.447 69 L N 2.678 123.842 121.223 -0.098 0.000 2.350 69 L HA 0.277 4.616 4.340 -0.001 0.000 0.275 69 L C 0.730 177.590 176.870 -0.018 0.000 1.099 69 L CA 0.074 54.857 54.840 -0.095 0.000 0.808 69 L CB 0.747 42.758 42.059 -0.080 0.000 1.149 69 L HN 0.704 nan 8.230 nan 0.000 0.442 70 I N 0.559 121.141 120.570 0.020 0.000 3.339 70 I HA 0.124 4.293 4.170 -0.001 0.000 0.285 70 I C -0.131 176.019 176.117 0.054 0.000 1.201 70 I CA 0.347 61.679 61.300 0.053 0.000 1.434 70 I CB 0.474 38.532 38.000 0.096 0.000 1.152 70 I HN 0.691 nan 8.210 nan 0.000 0.443 71 D N -1.278 119.173 120.400 0.083 0.000 2.728 71 D HA -0.003 4.637 4.640 -0.001 0.000 0.249 71 D C -0.246 176.166 176.300 0.187 0.000 1.225 71 D CA -0.472 53.601 54.000 0.121 0.000 0.748 71 D CB 0.712 41.586 40.800 0.123 0.000 1.326 71 D HN -0.170 nan 8.370 nan 0.000 0.426 72 D N 0.341 120.872 120.400 0.217 0.000 2.332 72 D HA -0.186 4.454 4.640 -0.001 0.000 0.209 72 D C 0.453 176.844 176.300 0.151 0.000 0.988 72 D CA 1.481 55.589 54.000 0.180 0.000 0.912 72 D CB -0.001 40.891 40.800 0.154 0.000 0.899 72 D HN 0.432 nan 8.370 nan 0.000 0.477 73 Y N -1.046 119.362 120.300 0.181 0.000 2.500 73 Y HA 0.336 4.886 4.550 -0.001 0.000 0.246 73 Y C 0.270 176.343 175.900 0.288 0.000 1.146 73 Y CA -0.439 57.776 58.100 0.193 0.000 1.230 73 Y CB 1.142 39.652 38.460 0.083 0.000 1.214 73 Y HN -0.267 nan 8.280 nan 0.000 0.526 74 V N 0.310 120.495 119.914 0.451 0.000 2.711 74 V HA 0.904 5.023 4.120 -0.001 0.000 0.304 74 V C -1.371 174.836 176.094 0.188 0.000 1.097 74 V CA -0.608 61.922 62.300 0.384 0.000 0.906 74 V CB 1.189 33.164 31.823 0.253 0.000 1.015 74 V HN 0.078 nan 8.190 nan 0.000 0.427 75 A N 5.055 127.930 122.820 0.092 0.000 2.435 75 A HA 1.111 5.430 4.320 -0.001 0.000 0.296 75 A C -0.349 177.234 177.584 -0.001 0.000 1.147 75 A CA -0.207 51.735 52.037 -0.158 0.000 0.775 75 A CB 2.086 20.677 19.000 -0.683 0.000 1.340 75 A HN 2.376 nan 8.150 nan 0.000 0.427 76 A N -0.635 122.136 122.820 -0.081 0.000 2.572 76 A HA 0.745 5.065 4.320 -0.001 0.000 0.295 76 A C -1.491 175.973 177.584 -0.200 0.000 1.072 76 A CA -0.329 51.600 52.037 -0.179 0.000 0.691 76 A CB 1.365 20.172 19.000 -0.323 0.000 1.291 76 A HN 2.118 nan 8.150 nan 0.000 0.404 77 V N 0.469 120.239 119.914 -0.239 0.000 2.789 77 V HA 0.859 4.979 4.120 -0.001 0.000 0.311 77 V C -0.294 175.676 176.094 -0.206 0.000 1.073 77 V CA 0.257 62.448 62.300 -0.181 0.000 0.921 77 V CB 2.101 33.840 31.823 -0.141 0.000 1.009 77 V HN 1.316 nan 8.190 nan 0.000 0.426 78 T N 3.544 118.007 114.554 -0.152 0.000 2.930 78 T HA 0.720 5.070 4.350 -0.001 0.000 0.290 78 T C -1.109 173.537 174.700 -0.089 0.000 1.052 78 T CA -0.180 61.840 62.100 -0.133 0.000 1.017 78 T CB 1.715 70.514 68.868 -0.115 0.000 1.137 78 T HN 1.034 nan 8.240 nan 0.000 0.511 79 S N 0.767 116.425 115.700 -0.070 0.000 2.603 79 S HA 0.759 5.228 4.470 -0.001 0.000 0.274 79 S C -0.225 174.360 174.600 -0.025 0.000 1.168 79 S CA 0.544 58.716 58.200 -0.047 0.000 0.963 79 S CB 0.631 63.801 63.200 -0.051 0.000 1.078 79 S HN 1.547 nan 8.310 nan 0.000 0.477 80 G N 3.099 111.891 108.800 -0.013 0.000 2.260 80 G HA2 0.081 4.040 3.960 -0.001 0.000 0.250 80 G HA3 0.081 4.040 3.960 -0.001 0.000 0.250 80 G C -1.751 173.153 174.900 0.006 0.000 1.340 80 G CA -0.938 44.163 45.100 0.002 0.000 1.056 80 G HN 0.750 nan 8.290 nan 0.000 0.471 81 L N 2.136 123.369 121.223 0.017 0.000 2.597 81 L HA 0.099 4.438 4.340 -0.001 0.000 0.271 81 L C 2.432 179.312 176.870 0.016 0.000 1.157 81 L CA 0.948 55.799 54.840 0.017 0.000 0.928 81 L CB 0.209 42.281 42.059 0.023 0.000 1.216 81 L HN 0.809 nan 8.230 nan 0.000 0.481 82 V N 6.005 125.924 119.914 0.008 0.000 2.250 82 V HA -0.373 3.746 4.120 -0.001 0.000 0.250 82 V C 2.340 178.443 176.094 0.015 0.000 1.060 82 V CA 2.457 64.760 62.300 0.006 0.000 1.030 82 V CB -0.129 31.695 31.823 0.001 0.000 0.643 82 V HN 0.968 nan 8.190 nan 0.000 0.445 83 A N -0.382 122.450 122.820 0.019 0.000 1.859 83 A HA -0.319 4.000 4.320 -0.001 0.000 0.217 83 A C 1.926 179.539 177.584 0.048 0.000 1.198 83 A CA 2.488 54.542 52.037 0.028 0.000 0.629 83 A CB -1.244 17.770 19.000 0.023 0.000 0.830 83 A HN 0.673 nan 8.150 nan 0.000 0.446 84 D N -0.195 120.242 120.400 0.061 0.000 2.133 84 D HA -0.072 4.567 4.640 -0.001 0.000 0.195 84 D C 2.185 178.538 176.300 0.090 0.000 0.997 84 D CA 1.645 55.719 54.000 0.122 0.000 0.840 84 D CB -0.365 40.518 40.800 0.138 0.000 0.947 84 D HN 0.466 nan 8.370 nan 0.000 0.452 85 A N 0.582 123.426 122.820 0.041 0.000 1.877 85 A HA -0.208 4.111 4.320 -0.001 0.000 0.216 85 A C 2.142 179.731 177.584 0.008 0.000 1.186 85 A CA 1.761 53.802 52.037 0.006 0.000 0.620 85 A CB -0.549 18.444 19.000 -0.011 0.000 0.822 85 A HN 0.150 nan 8.150 nan 0.000 0.443 86 R N -0.426 120.085 120.500 0.018 0.000 2.103 86 R HA -0.145 4.194 4.340 -0.001 0.000 0.234 86 R C 2.107 178.431 176.300 0.039 0.000 1.132 86 R CA 2.181 58.294 56.100 0.023 0.000 0.925 86 R CB -0.808 29.507 30.300 0.024 0.000 0.842 86 R HN 0.338 nan 8.270 nan 0.000 0.430 87 V N 0.971 120.917 119.914 0.054 0.000 2.380 87 V HA -0.213 3.906 4.120 -0.001 0.000 0.251 87 V C 2.120 178.250 176.094 0.060 0.000 1.063 87 V CA 1.948 64.292 62.300 0.073 0.000 1.055 87 V CB -0.343 31.542 31.823 0.104 0.000 0.657 87 V HN 0.420 nan 8.190 nan 0.000 0.455 88 L N -0.622 120.596 121.223 -0.008 0.000 2.217 88 L HA -0.013 4.326 4.340 -0.001 0.000 0.211 88 L C 2.321 179.240 176.870 0.082 0.000 1.107 88 L CA 1.775 56.568 54.840 -0.078 0.000 0.783 88 L CB -0.349 41.580 42.059 -0.216 0.000 0.919 88 L HN 0.233 nan 8.230 nan 0.000 0.442 89 V N -0.736 119.220 119.914 0.070 0.000 2.244 89 V HA -0.263 3.857 4.120 -0.001 0.000 0.244 89 V C 2.177 178.330 176.094 0.098 0.000 1.042 89 V CA 1.874 64.228 62.300 0.091 0.000 1.006 89 V CB -0.556 31.292 31.823 0.042 0.000 0.641 89 V HN 0.387 nan 8.190 nan 0.000 0.446 90 D N -0.504 119.945 120.400 0.081 0.000 2.158 90 D HA -0.212 4.428 4.640 -0.001 0.000 0.197 90 D C 1.896 178.237 176.300 0.068 0.000 0.995 90 D CA 1.448 55.487 54.000 0.064 0.000 0.846 90 D CB -0.265 40.572 40.800 0.062 0.000 0.941 90 D HN 0.454 nan 8.370 nan 0.000 0.456 91 F N 1.710 121.654 119.950 -0.010 0.000 2.069 91 F HA -0.221 4.306 4.527 -0.001 0.000 0.298 91 F C 2.232 178.021 175.800 -0.019 0.000 1.113 91 F CA 1.864 59.852 58.000 -0.019 0.000 1.214 91 F CB -0.373 38.596 39.000 -0.051 0.000 0.978 91 F HN -0.054 nan 8.300 nan 0.000 0.474 92 A N 0.583 123.403 122.820 -0.000 0.000 1.940 92 A HA -0.201 4.119 4.320 -0.001 0.000 0.219 92 A C 2.336 179.832 177.584 -0.146 0.000 1.176 92 A CA 1.789 53.768 52.037 -0.097 0.000 0.631 92 A CB -0.799 18.261 19.000 0.101 0.000 0.814 92 A HN 0.489 nan 8.150 nan 0.000 0.446 93 R N -0.260 120.199 120.500 -0.069 0.000 2.082 93 R HA -0.160 4.179 4.340 -0.001 0.000 0.234 93 R C 2.299 178.535 176.300 -0.106 0.000 1.136 93 R CA 1.957 58.023 56.100 -0.056 0.000 0.935 93 R CB -0.704 29.586 30.300 -0.017 0.000 0.842 93 R HN 0.821 nan 8.270 nan 0.000 0.430 94 I N -1.860 118.621 120.570 -0.147 0.000 2.315 94 I HA -0.164 4.005 4.170 -0.001 0.000 0.248 94 I C 2.314 178.296 176.117 -0.225 0.000 1.117 94 I CA 1.741 62.948 61.300 -0.155 0.000 1.404 94 I CB -0.374 37.543 38.000 -0.138 0.000 1.071 94 I HN 0.020 nan 8.210 nan 0.000 0.419 95 S N 1.222 116.686 115.700 -0.393 0.000 2.383 95 S HA -0.130 4.339 4.470 -0.001 0.000 0.229 95 S C 2.216 176.681 174.600 -0.225 0.000 1.030 95 S CA 1.415 59.368 58.200 -0.413 0.000 1.002 95 S CB -0.469 62.329 63.200 -0.671 0.000 0.829 95 S HN 0.709 nan 8.310 nan 0.000 0.467 96 A N 1.263 123.974 122.820 -0.181 0.000 1.858 96 A HA -0.095 4.224 4.320 -0.001 0.000 0.216 96 A C 2.217 179.756 177.584 -0.075 0.000 1.190 96 A CA 1.509 53.480 52.037 -0.111 0.000 0.617 96 A CB -0.855 18.101 19.000 -0.074 0.000 0.827 96 A HN 0.529 nan 8.150 nan 0.000 0.443 97 Q N -0.075 119.683 119.800 -0.071 0.000 2.112 97 Q HA -0.261 4.078 4.340 -0.001 0.000 0.206 97 Q C 2.178 178.154 176.000 -0.040 0.000 0.987 97 Q CA 2.048 57.823 55.803 -0.046 0.000 0.858 97 Q CB -0.639 28.073 28.738 -0.044 0.000 0.905 97 Q HN 0.826 nan 8.270 nan 0.000 0.420 98 Q N 0.269 120.034 119.800 -0.060 0.000 2.045 98 Q HA -0.226 4.113 4.340 -0.001 0.000 0.206 98 Q C 2.095 178.098 176.000 0.006 0.000 0.991 98 Q CA 1.660 57.440 55.803 -0.039 0.000 0.851 98 Q CB -0.197 28.505 28.738 -0.061 0.000 0.911 98 Q HN 0.488 nan 8.270 nan 0.000 0.418 99 E N 0.890 121.095 120.200 0.009 0.000 2.110 99 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 99 E C 1.721 178.383 176.600 0.104 0.000 0.988 99 E CA 1.082 57.533 56.400 0.086 0.000 0.804 99 E CB 0.175 29.876 29.700 0.001 0.000 0.745 99 E HN 0.191 nan 8.360 nan 0.000 0.458 100 K N 0.018 120.436 120.400 0.030 0.000 2.026 100 K HA -0.120 4.199 4.320 -0.001 0.000 0.208 100 K C 2.187 178.803 176.600 0.027 0.000 1.048 100 K CA 1.348 57.648 56.287 0.021 0.000 0.929 100 K CB -0.317 32.179 32.500 -0.006 0.000 0.713 100 K HN 0.089 nan 8.250 nan 0.000 0.439 101 V N 1.473 121.393 119.914 0.010 0.000 2.759 101 V HA -0.212 3.907 4.120 -0.001 0.000 0.256 101 V C 2.429 178.507 176.094 -0.027 0.000 1.080 101 V CA 2.388 64.683 62.300 -0.008 0.000 1.101 101 V CB -0.252 31.561 31.823 -0.018 0.000 0.698 101 V HN 0.582 nan 8.190 nan 0.000 0.477 102 T N -2.320 112.219 114.554 -0.026 0.000 2.925 102 T HA -0.098 4.251 4.350 -0.001 0.000 0.245 102 T C 1.712 176.289 174.700 -0.204 0.000 1.025 102 T CA 1.327 63.340 62.100 -0.145 0.000 1.149 102 T CB -0.465 68.263 68.868 -0.232 0.000 0.866 102 T HN 0.475 nan 8.240 nan 0.000 0.437 103 Y N 1.243 121.523 120.300 -0.034 0.000 2.517 103 Y HA 0.386 4.936 4.550 -0.000 0.000 0.281 103 Y C 2.283 178.162 175.900 -0.034 0.000 1.125 103 Y CA 0.292 58.372 58.100 -0.033 0.000 1.283 103 Y CB -0.038 38.400 38.460 -0.037 0.000 1.042 103 Y HN 0.545 nan 8.280 nan 0.000 0.547 104 G N -0.271 108.589 108.800 0.100 0.000 2.199 104 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.254 104 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.254 104 G C 0.248 175.163 174.900 0.025 0.000 0.982 104 G CA 0.314 45.440 45.100 0.042 0.000 0.632 104 G HN 0.440 nan 8.290 nan 0.000 0.529 105 S N -1.170 114.553 115.700 0.039 0.000 2.570 105 S HA 0.471 4.940 4.470 -0.001 0.000 0.286 105 S C -1.018 173.555 174.600 -0.044 0.000 1.143 105 S CA -0.246 57.941 58.200 -0.021 0.000 0.921 105 S CB 1.052 64.229 63.200 -0.038 0.000 1.108 105 S HN 1.546 nan 8.310 nan 0.000 0.456 106 L N 7.274 128.453 121.223 -0.073 0.000 2.415 106 L HA 0.411 4.750 4.340 -0.001 0.000 0.269 106 L C 1.191 178.000 176.870 -0.102 0.000 1.244 106 L CA 0.549 55.336 54.840 -0.090 0.000 1.113 106 L CB -0.045 41.968 42.059 -0.077 0.000 1.352 106 L HN 0.693 nan 8.230 nan 0.000 0.433 107 V N 4.268 124.112 119.914 -0.117 0.000 2.307 107 V HA -0.031 4.088 4.120 -0.001 0.000 0.245 107 V C 0.905 176.947 176.094 -0.086 0.000 1.045 107 V CA 1.355 63.594 62.300 -0.102 0.000 1.024 107 V CB -0.109 31.645 31.823 -0.114 0.000 0.651 107 V HN 0.910 nan 8.190 nan 0.000 0.449 108 N N 0.056 118.693 118.700 -0.106 0.000 2.479 108 N HA 0.224 4.963 4.740 -0.001 0.000 0.261 108 N C 0.438 175.892 175.510 -0.093 0.000 0.979 108 N CA -0.134 52.869 53.050 -0.079 0.000 0.930 108 N CB 1.380 39.816 38.487 -0.085 0.000 1.172 108 N HN 0.459 nan 8.380 nan 0.000 0.499 109 I N 2.720 123.263 120.570 -0.044 0.000 2.394 109 I HA -0.170 3.999 4.170 -0.001 0.000 0.251 109 I C 1.916 177.906 176.117 -0.211 0.000 1.136 109 I CA 1.290 62.550 61.300 -0.066 0.000 1.425 109 I CB 0.167 38.204 38.000 0.062 0.000 1.079 109 I HN 0.693 nan 8.210 nan 0.000 0.425 110 E N 1.039 121.103 120.200 -0.226 0.000 2.114 110 E HA -0.347 4.002 4.350 -0.001 0.000 0.199 110 E C 1.935 178.262 176.600 -0.456 0.000 1.008 110 E CA 1.779 57.831 56.400 -0.580 0.000 0.810 110 E CB -0.352 29.185 29.700 -0.272 0.000 0.739 110 E HN 0.598 nan 8.360 nan 0.000 0.456 111 N N 0.341 118.877 118.700 -0.275 0.000 2.120 111 N HA -0.176 4.563 4.740 -0.001 0.000 0.188 111 N C 2.155 177.516 175.510 -0.248 0.000 1.024 111 N CA 1.135 54.050 53.050 -0.226 0.000 0.852 111 N CB -0.147 38.233 38.487 -0.179 0.000 1.003 111 N HN 0.215 nan 8.380 nan 0.000 0.424 112 L N 1.246 122.304 121.223 -0.275 0.000 2.012 112 L HA -0.113 4.226 4.340 -0.001 0.000 0.210 112 L C 2.359 178.978 176.870 -0.418 0.000 1.073 112 L CA 1.443 56.102 54.840 -0.302 0.000 0.748 112 L CB -1.089 40.793 42.059 -0.294 0.000 0.891 112 L HN 0.002 nan 8.230 nan 0.000 0.431 113 V N -0.493 119.068 119.914 -0.589 0.000 2.343 113 V HA -0.303 3.816 4.120 -0.001 0.000 0.247 113 V C 2.669 178.561 176.094 -0.337 0.000 1.051 113 V CA 2.168 64.062 62.300 -0.677 0.000 1.036 113 V CB -0.410 31.000 31.823 -0.689 0.000 0.654 113 V HN 0.613 nan 8.190 nan 0.000 0.451 114 K N -0.456 119.770 120.400 -0.290 0.000 2.044 114 K HA -0.267 4.052 4.320 -0.001 0.000 0.210 114 K C 2.410 178.964 176.600 -0.077 0.000 1.049 114 K CA 2.204 58.397 56.287 -0.157 0.000 0.927 114 K CB -0.326 32.088 32.500 -0.143 0.000 0.713 114 K HN 0.439 nan 8.250 nan 0.000 0.443 115 R N 0.756 121.215 120.500 -0.068 0.000 2.080 115 R HA -0.138 4.202 4.340 -0.001 0.000 0.236 115 R C 2.266 178.655 176.300 0.148 0.000 1.137 115 R CA 1.493 57.622 56.100 0.048 0.000 0.943 115 R CB -0.499 29.830 30.300 0.049 0.000 0.846 115 R HN 0.096 nan 8.270 nan 0.000 0.431 116 V N 0.780 120.778 119.914 0.140 0.000 2.490 116 V HA -0.191 3.928 4.120 -0.001 0.000 0.250 116 V C 2.136 178.230 176.094 -0.001 0.000 1.061 116 V CA 2.081 64.484 62.300 0.171 0.000 1.064 116 V CB -0.369 31.552 31.823 0.164 0.000 0.670 116 V HN 0.546 nan 8.190 nan 0.000 0.461 117 A N -0.352 122.468 122.820 -0.000 0.000 1.877 117 A HA -0.227 4.092 4.320 -0.001 0.000 0.216 117 A C 1.957 179.548 177.584 0.010 0.000 1.186 117 A CA 1.980 54.022 52.037 0.009 0.000 0.620 117 A CB -0.808 18.198 19.000 0.010 0.000 0.822 117 A HN 0.603 nan 8.150 nan 0.000 0.443 118 D N -0.693 119.718 120.400 0.017 0.000 2.149 118 D HA -0.150 4.489 4.640 -0.001 0.000 0.198 118 D C 2.075 178.403 176.300 0.047 0.000 0.990 118 D CA 1.124 55.148 54.000 0.041 0.000 0.839 118 D CB -0.318 40.511 40.800 0.048 0.000 0.948 118 D HN 0.340 nan 8.370 nan 0.000 0.460 119 Q N 0.019 119.801 119.800 -0.029 0.000 2.045 119 Q HA -0.121 4.219 4.340 -0.001 0.000 0.206 119 Q C 2.270 178.298 176.000 0.048 0.000 0.991 119 Q CA 1.194 56.931 55.803 -0.110 0.000 0.851 119 Q CB -0.273 28.128 28.738 -0.562 0.000 0.911 119 Q HN 0.395 nan 8.270 nan 0.000 0.418 120 M N -0.002 119.574 119.600 -0.040 0.000 2.175 120 M HA -0.172 4.307 4.480 -0.001 0.000 0.264 120 M C 2.184 178.598 176.300 0.189 0.000 1.063 120 M CA 1.306 56.655 55.300 0.081 0.000 1.119 120 M CB -0.347 32.249 32.600 -0.007 0.000 1.377 120 M HN 0.094 nan 8.290 nan 0.000 0.415 121 Q N 1.086 120.963 119.800 0.128 0.000 2.170 121 Q HA -0.205 4.134 4.340 -0.001 0.000 0.203 121 Q C 1.747 177.837 176.000 0.149 0.000 0.976 121 Q CA 1.736 57.606 55.803 0.112 0.000 0.858 121 Q CB -0.188 28.593 28.738 0.072 0.000 0.907 121 Q HN 0.622 nan 8.270 nan 0.000 0.433 122 Q N -0.818 119.124 119.800 0.236 0.000 2.096 122 Q HA -0.178 4.161 4.340 -0.001 0.000 0.204 122 Q C 1.582 177.733 176.000 0.252 0.000 0.982 122 Q CA 1.527 57.498 55.803 0.281 0.000 0.850 122 Q CB -0.148 28.770 28.738 0.300 0.000 0.901 122 Q HN 0.479 nan 8.270 nan 0.000 0.422 123 Y N -0.152 120.223 120.300 0.126 0.000 2.680 123 Y HA -0.079 4.471 4.550 -0.001 0.000 0.303 123 Y C 2.154 178.057 175.900 0.005 0.000 1.166 123 Y CA 0.799 58.939 58.100 0.067 0.000 1.344 123 Y CB -0.255 38.213 38.460 0.014 0.000 1.002 123 Y HN 0.052 nan 8.280 nan 0.000 0.537 124 T N -0.432 114.195 114.554 0.123 0.000 3.023 124 T HA -0.130 4.220 4.350 -0.001 0.000 0.266 124 T C 1.686 176.322 174.700 -0.105 0.000 1.093 124 T CA 1.553 63.655 62.100 0.004 0.000 1.129 124 T CB -0.019 68.849 68.868 -0.000 0.000 0.899 124 T HN 0.635 nan 8.240 nan 0.000 0.491 125 Q N -1.334 118.374 119.800 -0.154 0.000 2.215 125 Q HA 0.129 4.468 4.340 -0.001 0.000 0.257 125 Q C 0.119 175.915 176.000 -0.339 0.000 0.792 125 Q CA -0.177 55.454 55.803 -0.287 0.000 0.958 125 Q CB -0.125 28.396 28.738 -0.362 0.000 1.158 125 Q HN 0.352 nan 8.270 nan 0.000 0.490 126 Y N 3.132 123.371 120.300 -0.102 0.000 3.180 126 Y HA 0.256 4.806 4.550 -0.001 0.000 0.386 126 Y C 1.616 177.446 175.900 -0.117 0.000 1.054 126 Y CA 0.987 59.013 58.100 -0.123 0.000 2.020 126 Y CB -0.628 37.723 38.460 -0.182 0.000 2.171 126 Y HN 0.460 nan 8.280 nan 0.000 0.415 127 G N 0.876 109.673 108.800 -0.005 0.000 2.685 127 G HA2 -0.388 3.571 3.960 -0.001 0.000 0.329 127 G HA3 -0.388 3.571 3.960 -0.001 0.000 0.329 127 G C 1.206 176.102 174.900 -0.006 0.000 1.271 127 G CA -0.038 45.059 45.100 -0.005 0.000 1.003 127 G HN 0.862 nan 8.290 nan 0.000 0.549 128 G N -0.275 108.522 108.800 -0.004 0.000 2.641 128 G HA2 0.498 4.457 3.960 -0.001 0.000 0.278 128 G HA3 0.498 4.457 3.960 -0.001 0.000 0.278 128 G C -0.178 174.713 174.900 -0.016 0.000 0.655 128 G CA 1.308 46.402 45.100 -0.010 0.000 2.105 128 G HN 1.807 nan 8.290 nan 0.000 0.558 129 V N 1.620 121.532 119.914 -0.004 0.000 2.915 129 V HA 0.361 4.480 4.120 -0.001 0.000 0.273 129 V C -0.304 175.824 176.094 0.057 0.000 1.538 129 V CA -1.220 61.093 62.300 0.022 0.000 0.946 129 V CB 1.725 33.536 31.823 -0.018 0.000 1.183 129 V HN 0.720 nan 8.190 nan 0.000 0.446 130 R N 6.487 127.010 120.500 0.038 0.000 2.438 130 R HA 0.489 4.829 4.340 -0.001 0.000 0.287 130 R C -2.351 173.927 176.300 -0.035 0.000 1.077 130 R CA -0.986 55.118 56.100 0.006 0.000 1.034 130 R CB 1.245 31.532 30.300 -0.022 0.000 0.993 130 R HN 0.542 nan 8.270 nan 0.000 0.459 131 P HA -0.048 nan 4.420 nan 0.000 0.271 131 P C -1.185 175.996 177.300 -0.198 0.000 1.244 131 P CA 0.063 63.132 63.100 -0.051 0.000 0.793 131 P CB 0.259 31.977 31.700 0.029 0.000 0.984 132 Y N -0.068 120.167 120.300 -0.107 0.000 2.531 132 Y HA 0.312 4.861 4.550 -0.001 0.000 0.347 132 Y C 1.672 177.541 175.900 -0.052 0.000 1.024 132 Y CA 0.309 58.336 58.100 -0.122 0.000 1.306 132 Y CB -0.301 38.053 38.460 -0.177 0.000 1.149 132 Y HN 0.339 nan 8.280 nan 0.000 0.527 133 G N 3.549 112.394 108.800 0.074 0.000 3.101 133 G HA2 0.406 4.365 3.960 -0.001 0.000 0.272 133 G HA3 0.406 4.365 3.960 -0.001 0.000 0.272 133 G C -0.879 174.057 174.900 0.062 0.000 0.801 133 G CA -0.053 45.083 45.100 0.061 0.000 1.978 133 G HN 0.547 nan 8.290 nan 0.000 0.591 134 V N -0.272 119.682 119.914 0.066 0.000 3.167 134 V HA 0.820 4.939 4.120 -0.001 0.000 0.293 134 V C -1.141 174.964 176.094 0.018 0.000 1.379 134 V CA -0.652 61.668 62.300 0.034 0.000 1.019 134 V CB 2.109 33.949 31.823 0.028 0.000 1.115 134 V HN 0.343 nan 8.190 nan 0.000 0.442 135 S N 4.173 119.868 115.700 -0.009 0.000 2.570 135 S HA 1.014 5.484 4.470 -0.001 0.000 0.286 135 S C -1.384 173.172 174.600 -0.074 0.000 1.099 135 S CA -0.575 57.612 58.200 -0.022 0.000 0.913 135 S CB 1.627 64.818 63.200 -0.015 0.000 1.085 135 S HN 1.305 nan 8.310 nan 0.000 0.480 136 L N 0.316 121.471 121.223 -0.113 0.000 2.720 136 L HA 0.770 5.109 4.340 -0.001 0.000 0.261 136 L C -1.061 175.627 176.870 -0.303 0.000 1.046 136 L CA -1.022 53.673 54.840 -0.241 0.000 0.886 136 L CB 0.609 42.462 42.059 -0.344 0.000 1.493 136 L HN 0.749 nan 8.230 nan 0.000 0.407 137 I N -1.808 118.518 120.570 -0.406 0.000 2.582 137 I HA 0.768 4.937 4.170 -0.001 0.000 0.292 137 I C -1.563 174.290 176.117 -0.440 0.000 1.066 137 I CA -0.528 60.593 61.300 -0.299 0.000 1.053 137 I CB 2.204 40.106 38.000 -0.163 0.000 1.241 137 I HN 0.443 nan 8.210 nan 0.000 0.421 138 F N 4.205 124.221 119.950 0.110 0.000 2.443 138 F HA 0.859 5.385 4.527 -0.001 0.000 0.335 138 F C 0.450 176.349 175.800 0.164 0.000 1.104 138 F CA -0.552 57.524 58.000 0.127 0.000 1.013 138 F CB 2.091 41.179 39.000 0.147 0.000 1.136 138 F HN 0.727 nan 8.300 nan 0.000 0.470 139 A N 1.673 124.675 122.820 0.304 0.000 2.486 139 A HA 0.955 5.274 4.320 -0.001 0.000 0.300 139 A C -0.443 177.341 177.584 0.333 0.000 1.048 139 A CA -0.135 52.055 52.037 0.255 0.000 0.696 139 A CB 1.656 20.766 19.000 0.183 0.000 1.278 139 A HN 1.256 nan 8.150 nan 0.000 0.405 140 G N -0.149 108.788 108.800 0.229 0.000 2.313 140 G HA2 0.489 4.448 3.960 -0.001 0.000 0.296 140 G HA3 0.489 4.448 3.960 -0.001 0.000 0.296 140 G C -1.782 173.166 174.900 0.080 0.000 1.356 140 G CA -0.131 45.086 45.100 0.195 0.000 0.833 140 G HN 1.482 nan 8.290 nan 0.000 0.552 141 I N 1.572 122.180 120.570 0.064 0.000 2.406 141 I HA 0.561 4.731 4.170 -0.001 0.000 0.290 141 I C -1.092 175.078 176.117 0.088 0.000 0.999 141 I CA -0.658 60.669 61.300 0.044 0.000 1.124 141 I CB 1.406 39.403 38.000 -0.004 0.000 1.289 141 I HN 0.843 nan 8.210 nan 0.000 0.441 142 D N 5.358 125.792 120.400 0.057 0.000 2.666 142 D HA 0.140 4.780 4.640 -0.001 0.000 0.252 142 D C 0.487 176.790 176.300 0.005 0.000 1.143 142 D CA -0.238 53.779 54.000 0.028 0.000 1.096 142 D CB 0.576 41.395 40.800 0.032 0.000 1.260 142 D HN 0.464 nan 8.370 nan 0.000 0.633 143 Q N -0.671 119.120 119.800 -0.016 0.000 2.181 143 Q HA -0.030 4.310 4.340 -0.001 0.000 0.205 143 Q C 1.715 177.711 176.000 -0.007 0.000 0.980 143 Q CA 1.714 57.504 55.803 -0.021 0.000 0.862 143 Q CB -0.368 28.349 28.738 -0.034 0.000 0.905 143 Q HN 0.611 nan 8.270 nan 0.000 0.429 144 I N -1.308 119.264 120.570 0.003 0.000 2.716 144 I HA 0.169 4.339 4.170 -0.001 0.000 0.259 144 I C 1.197 177.318 176.117 0.006 0.000 1.172 144 I CA 0.576 61.881 61.300 0.009 0.000 1.478 144 I CB 0.021 38.035 38.000 0.022 0.000 1.104 144 I HN 0.332 nan 8.210 nan 0.000 0.439 145 G N 0.347 109.152 108.800 0.009 0.000 2.293 145 G HA2 -0.018 3.941 3.960 -0.001 0.000 0.282 145 G HA3 -0.018 3.941 3.960 -0.001 0.000 0.282 145 G C -3.094 171.800 174.900 -0.010 0.000 1.299 145 G CA -1.091 44.006 45.100 -0.005 0.000 1.018 145 G HN -0.212 nan 8.290 nan 0.000 0.478 146 P HA 0.415 nan 4.420 nan 0.000 0.267 146 P C -0.415 176.852 177.300 -0.054 0.000 1.205 146 P CA 0.274 63.328 63.100 -0.077 0.000 0.765 146 P CB 0.483 32.088 31.700 -0.158 0.000 0.828 147 R N 2.385 122.874 120.500 -0.019 0.000 2.725 147 R HA 0.714 5.053 4.340 -0.001 0.000 0.277 147 R C -1.396 174.869 176.300 -0.057 0.000 0.987 147 R CA -1.113 54.962 56.100 -0.041 0.000 0.901 147 R CB 1.956 32.336 30.300 0.132 0.000 1.207 147 R HN 0.297 nan 8.270 nan 0.000 0.463 148 L N 2.670 123.725 121.223 -0.279 0.000 2.406 148 L HA 0.587 4.927 4.340 -0.001 0.000 0.272 148 L C -1.811 174.826 176.870 -0.388 0.000 0.980 148 L CA -0.310 54.420 54.840 -0.182 0.000 0.831 148 L CB 1.283 43.274 42.059 -0.114 0.000 1.253 148 L HN 0.521 nan 8.230 nan 0.000 0.406 149 F N 2.750 122.812 119.950 0.187 0.000 2.603 149 F HA 0.669 5.196 4.527 -0.001 0.000 0.317 149 F C -0.413 175.505 175.800 0.198 0.000 1.066 149 F CA -0.619 57.528 58.000 0.244 0.000 0.941 149 F CB 2.077 41.228 39.000 0.251 0.000 1.291 149 F HN 0.584 nan 8.300 nan 0.000 0.472 150 D N 0.068 120.717 120.400 0.417 0.000 2.547 150 D HA 0.528 5.167 4.640 -0.001 0.000 0.231 150 D C -1.562 174.889 176.300 0.253 0.000 1.099 150 D CA -0.491 53.626 54.000 0.195 0.000 0.901 150 D CB 1.860 42.649 40.800 -0.019 0.000 1.478 150 D HN 0.638 nan 8.370 nan 0.000 0.471 151 C N 2.084 121.475 119.300 0.151 0.000 2.782 151 C HA 0.570 5.029 4.460 -0.001 0.000 0.328 151 C C -1.448 173.591 174.990 0.081 0.000 1.145 151 C CA -0.430 58.680 59.018 0.153 0.000 1.358 151 C CB 0.974 28.849 27.740 0.225 0.000 1.841 151 C HN 0.787 nan 8.230 nan 0.000 0.477 152 D N 4.138 124.585 120.400 0.078 0.000 2.442 152 D HA 0.466 5.105 4.640 -0.001 0.000 0.254 152 D C -2.288 174.045 176.300 0.056 0.000 1.069 152 D CA -1.741 52.292 54.000 0.055 0.000 1.017 152 D CB 0.848 41.681 40.800 0.056 0.000 1.172 152 D HN 0.194 nan 8.370 nan 0.000 0.561 153 P HA -0.023 nan 4.420 nan 0.000 0.223 153 P C 0.930 178.269 177.300 0.065 0.000 1.144 153 P CA 1.868 65.009 63.100 0.067 0.000 0.783 153 P CB 0.055 31.794 31.700 0.064 0.000 0.771 154 A N -1.058 121.793 122.820 0.050 0.000 2.167 154 A HA 0.354 4.673 4.320 -0.001 0.000 0.214 154 A C 1.789 179.403 177.584 0.050 0.000 1.151 154 A CA 1.062 53.123 52.037 0.041 0.000 0.735 154 A CB -1.154 17.863 19.000 0.028 0.000 0.802 154 A HN 0.255 nan 8.150 nan 0.000 0.467 155 G N -1.680 107.155 108.800 0.057 0.000 2.157 155 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.239 155 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.239 155 G C 0.326 175.261 174.900 0.058 0.000 0.982 155 G CA 0.318 45.452 45.100 0.056 0.000 0.650 155 G HN 0.638 nan 8.290 nan 0.000 0.527 156 T N 1.136 115.729 114.554 0.064 0.000 2.884 156 T HA 0.552 4.901 4.350 -0.001 0.000 0.298 156 T C 0.282 175.045 174.700 0.105 0.000 0.998 156 T CA 0.537 62.680 62.100 0.072 0.000 1.124 156 T CB 1.989 70.897 68.868 0.067 0.000 0.931 156 T HN 0.776 nan 8.240 nan 0.000 0.531 157 I N 2.597 123.235 120.570 0.113 0.000 2.582 157 I HA 0.570 4.739 4.170 -0.001 0.000 0.292 157 I C -1.573 174.667 176.117 0.204 0.000 1.066 157 I CA -0.876 60.528 61.300 0.172 0.000 1.053 157 I CB 1.905 39.974 38.000 0.114 0.000 1.241 157 I HN 0.639 nan 8.210 nan 0.000 0.421 158 N N 4.559 123.445 118.700 0.311 0.000 2.331 158 N HA 0.332 5.072 4.740 -0.001 0.000 0.280 158 N C -1.847 173.816 175.510 0.255 0.000 1.155 158 N CA -0.840 52.331 53.050 0.203 0.000 0.822 158 N CB 1.941 40.420 38.487 -0.014 0.000 1.619 158 N HN 0.587 nan 8.380 nan 0.000 0.476 159 E N 1.053 121.233 120.200 -0.034 0.000 2.216 159 E HA 0.355 4.705 4.350 -0.001 0.000 0.279 159 E C -1.245 175.137 176.600 -0.362 0.000 0.997 159 E CA -0.351 55.837 56.400 -0.353 0.000 0.817 159 E CB 0.709 30.085 29.700 -0.541 0.000 1.096 159 E HN 0.427 nan 8.360 nan 0.000 0.393 160 Y N 2.320 122.449 120.300 -0.285 0.000 2.650 160 Y HA 0.291 4.841 4.550 -0.001 0.000 0.331 160 Y C 0.865 176.634 175.900 -0.219 0.000 1.082 160 Y CA -0.897 57.082 58.100 -0.202 0.000 1.171 160 Y CB 1.152 39.511 38.460 -0.167 0.000 1.326 160 Y HN 0.494 nan 8.280 nan 0.000 0.513 161 K N 0.502 120.882 120.400 -0.033 0.000 2.335 161 K HA 0.650 4.969 4.320 -0.001 0.000 0.195 161 K C -0.856 175.569 176.600 -0.291 0.000 1.058 161 K CA 0.720 56.928 56.287 -0.132 0.000 0.988 161 K CB 0.679 33.100 32.500 -0.131 0.000 0.880 161 K HN 0.672 nan 8.250 nan 0.000 0.513 162 A N -0.991 121.670 122.820 -0.265 0.000 2.590 162 A HA 0.542 4.861 4.320 -0.001 0.000 0.296 162 A C -0.898 176.563 177.584 -0.205 0.000 1.050 162 A CA -0.255 51.590 52.037 -0.320 0.000 0.697 162 A CB 1.072 19.666 19.000 -0.678 0.000 1.277 162 A HN 0.017 nan 8.150 nan 0.000 0.411 163 T N -0.928 113.471 114.554 -0.258 0.000 2.686 163 T HA 0.861 5.210 4.350 -0.001 0.000 0.308 163 T C -1.181 173.352 174.700 -0.278 0.000 1.667 163 T CA 0.680 62.567 62.100 -0.354 0.000 0.987 163 T CB 1.063 69.367 68.868 -0.941 0.000 1.652 163 T HN 2.599 nan 8.240 nan 0.000 0.496 164 A N 0.758 123.422 122.820 -0.261 0.000 2.583 164 A HA 0.981 5.300 4.320 -0.001 0.000 0.289 164 A C -1.698 175.784 177.584 -0.170 0.000 1.151 164 A CA -0.601 51.326 52.037 -0.182 0.000 0.695 164 A CB 1.546 20.471 19.000 -0.124 0.000 1.290 164 A HN 1.129 nan 8.150 nan 0.000 0.419 165 I N -2.181 118.315 120.570 -0.124 0.000 3.021 165 I HA 0.675 4.845 4.170 -0.001 0.000 0.305 165 I C 0.378 176.453 176.117 -0.070 0.000 1.434 165 I CA 1.225 62.467 61.300 -0.097 0.000 0.969 165 I CB 1.869 39.801 38.000 -0.114 0.000 1.328 165 I HN 2.312 nan 8.210 nan 0.000 0.486 166 G N 2.156 110.926 108.800 -0.050 0.000 2.445 166 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.212 166 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.212 166 G C 0.429 175.315 174.900 -0.023 0.000 1.217 166 G CA 0.478 45.556 45.100 -0.036 0.000 1.002 166 G HN 1.113 nan 8.290 nan 0.000 0.574 167 S N -0.132 115.556 115.700 -0.019 0.000 2.361 167 S HA 0.106 4.576 4.470 -0.001 0.000 0.214 167 S C 2.230 176.826 174.600 -0.007 0.000 1.034 167 S CA 2.402 60.596 58.200 -0.010 0.000 1.025 167 S CB -0.992 62.203 63.200 -0.009 0.000 0.996 167 S HN 2.083 nan 8.310 nan 0.000 0.422 168 G N 1.329 110.122 108.800 -0.011 0.000 3.414 168 G HA2 0.113 4.072 3.960 -0.001 0.000 0.258 168 G HA3 0.113 4.072 3.960 -0.001 0.000 0.258 168 G C 0.828 175.723 174.900 -0.009 0.000 1.348 168 G CA -0.100 44.997 45.100 -0.005 0.000 1.319 168 G HN 0.586 nan 8.290 nan 0.000 0.555 169 K N 0.534 120.926 120.400 -0.014 0.000 1.978 169 K HA -0.140 4.179 4.320 -0.001 0.000 0.214 169 K C 1.828 178.427 176.600 -0.002 0.000 1.049 169 K CA 1.666 57.940 56.287 -0.021 0.000 0.939 169 K CB -0.160 32.325 32.500 -0.025 0.000 0.721 169 K HN 0.225 nan 8.250 nan 0.000 0.441 170 D N 0.448 120.854 120.400 0.011 0.000 2.157 170 D HA -0.252 4.387 4.640 -0.001 0.000 0.191 170 D C 1.803 178.125 176.300 0.037 0.000 1.004 170 D CA 1.652 55.667 54.000 0.025 0.000 0.854 170 D CB -0.177 40.639 40.800 0.026 0.000 0.936 170 D HN 0.448 nan 8.370 nan 0.000 0.446 171 A N 1.099 123.941 122.820 0.037 0.000 1.828 171 A HA -0.138 4.181 4.320 -0.001 0.000 0.215 171 A C 2.483 180.118 177.584 0.086 0.000 1.203 171 A CA 1.654 53.727 52.037 0.059 0.000 0.614 171 A CB -1.161 17.869 19.000 0.051 0.000 0.844 171 A HN 0.164 nan 8.150 nan 0.000 0.445 172 V N -0.396 119.550 119.914 0.053 0.000 2.324 172 V HA -0.213 3.906 4.120 -0.001 0.000 0.250 172 V C 2.393 178.519 176.094 0.053 0.000 1.060 172 V CA 2.591 64.913 62.300 0.036 0.000 1.042 172 V CB -0.415 31.384 31.823 -0.041 0.000 0.650 172 V HN 0.383 nan 8.190 nan 0.000 0.450 173 V N -0.157 119.776 119.914 0.031 0.000 2.332 173 V HA -0.234 3.886 4.120 -0.001 0.000 0.248 173 V C 2.626 178.773 176.094 0.087 0.000 1.055 173 V CA 2.852 65.171 62.300 0.032 0.000 1.038 173 V CB -0.290 31.541 31.823 0.013 0.000 0.651 173 V HN 0.744 nan 8.190 nan 0.000 0.450 174 S N -0.203 115.559 115.700 0.103 0.000 2.368 174 S HA -0.156 4.314 4.470 -0.001 0.000 0.224 174 S C 1.696 176.401 174.600 0.176 0.000 1.029 174 S CA 1.687 59.953 58.200 0.111 0.000 0.988 174 S CB -0.517 62.731 63.200 0.081 0.000 0.838 174 S HN 0.716 nan 8.310 nan 0.000 0.462 175 F N 2.922 122.888 119.950 0.026 0.000 2.069 175 F HA -0.132 4.394 4.527 -0.001 0.000 0.298 175 F C 1.815 177.648 175.800 0.056 0.000 1.113 175 F CA 1.129 59.150 58.000 0.035 0.000 1.214 175 F CB -0.723 38.294 39.000 0.028 0.000 0.978 175 F HN 0.071 nan 8.300 nan 0.000 0.474 176 L N 0.569 122.052 121.223 0.434 0.000 1.989 176 L HA -0.216 4.123 4.340 -0.001 0.000 0.211 176 L C 2.485 179.515 176.870 0.266 0.000 1.071 176 L CA 2.151 57.178 54.840 0.312 0.000 0.749 176 L CB -1.939 40.186 42.059 0.110 0.000 0.890 176 L HN 0.238 nan 8.230 nan 0.000 0.431 177 E N 0.075 120.379 120.200 0.174 0.000 2.208 177 E HA -0.273 4.077 4.350 -0.001 0.000 0.202 177 E C 2.345 179.026 176.600 0.136 0.000 1.014 177 E CA 1.840 58.318 56.400 0.129 0.000 0.819 177 E CB -0.040 29.716 29.700 0.093 0.000 0.735 177 E HN 0.391 nan 8.360 nan 0.000 0.469 178 R N -0.204 120.382 120.500 0.144 0.000 2.051 178 R HA 0.083 4.423 4.340 -0.001 0.000 0.218 178 R C 1.382 177.752 176.300 0.116 0.000 1.188 178 R CA 1.028 57.182 56.100 0.090 0.000 0.992 178 R CB -0.044 30.263 30.300 0.011 0.000 0.883 178 R HN 0.091 nan 8.270 nan 0.000 0.444 179 E N 0.272 120.578 120.200 0.178 0.000 2.403 179 E HA -0.051 4.298 4.350 -0.001 0.000 0.188 179 E C -0.918 175.833 176.600 0.251 0.000 1.056 179 E CA -0.317 56.205 56.400 0.202 0.000 0.892 179 E CB 0.235 30.075 29.700 0.234 0.000 1.049 179 E HN 0.241 nan 8.360 nan 0.000 0.465 180 Y N 2.024 122.412 120.300 0.146 0.000 2.465 180 Y HA 0.118 4.667 4.550 -0.001 0.000 0.331 180 Y C -0.198 175.750 175.900 0.080 0.000 1.102 180 Y CA -0.415 57.749 58.100 0.107 0.000 1.358 180 Y CB 0.453 38.966 38.460 0.087 0.000 1.213 180 Y HN -0.314 nan 8.280 nan 0.000 0.525 181 K N 5.607 125.582 120.400 -0.708 0.000 2.316 181 K HA 0.181 4.500 4.320 -0.001 0.000 0.267 181 K C 0.653 176.769 176.600 -0.806 0.000 1.025 181 K CA -0.394 55.565 56.287 -0.547 0.000 0.896 181 K CB 1.011 33.361 32.500 -0.250 0.000 1.124 181 K HN 0.825 nan 8.250 nan 0.000 0.451 182 E N 3.343 123.229 120.200 -0.524 0.000 2.223 182 E HA -0.325 4.025 4.350 -0.001 0.000 0.249 182 E C -0.379 176.154 176.600 -0.113 0.000 1.008 182 E CA 2.329 58.595 56.400 -0.225 0.000 0.975 182 E CB -0.178 29.494 29.700 -0.047 0.000 0.901 182 E HN 0.732 nan 8.360 nan 0.000 0.537 183 N N -0.219 118.450 118.700 -0.052 0.000 2.758 183 N HA 0.173 4.913 4.740 -0.001 0.000 0.293 183 N C -1.165 174.359 175.510 0.023 0.000 1.273 183 N CA -0.469 52.593 53.050 0.021 0.000 1.022 183 N CB 0.207 38.712 38.487 0.030 0.000 1.334 183 N HN 0.108 nan 8.380 nan 0.000 0.519 184 L N 1.552 122.769 121.223 -0.011 0.000 2.534 184 L HA 0.222 4.561 4.340 -0.001 0.000 0.271 184 L C -2.224 174.656 176.870 0.017 0.000 1.178 184 L CA -1.688 53.141 54.840 -0.018 0.000 0.907 184 L CB 0.203 42.224 42.059 -0.063 0.000 1.164 184 L HN 0.116 nan 8.230 nan 0.000 0.482 185 P HA 0.026 nan 4.420 nan 0.000 0.268 185 P C 0.471 177.616 177.300 -0.258 0.000 1.205 185 P CA -0.090 62.969 63.100 -0.067 0.000 0.771 185 P CB 0.585 32.264 31.700 -0.034 0.000 0.858 186 E N 3.495 123.365 120.200 -0.549 0.000 2.170 186 E HA -0.403 3.947 4.350 -0.001 0.000 0.229 186 E C 1.662 178.018 176.600 -0.406 0.000 1.074 186 E CA 2.188 58.052 56.400 -0.894 0.000 0.930 186 E CB -0.149 29.144 29.700 -0.678 0.000 0.806 186 E HN 0.332 nan 8.360 nan 0.000 0.478 187 K N 0.037 120.347 120.400 -0.149 0.000 2.044 187 K HA -0.238 4.081 4.320 -0.001 0.000 0.210 187 K C 2.084 178.712 176.600 0.047 0.000 1.049 187 K CA 2.121 58.441 56.287 0.054 0.000 0.927 187 K CB -0.062 32.501 32.500 0.105 0.000 0.713 187 K HN 0.262 nan 8.250 nan 0.000 0.443 188 E N -0.423 119.763 120.200 -0.024 0.000 2.152 188 E HA -0.137 4.212 4.350 -0.001 0.000 0.192 188 E C 1.968 178.544 176.600 -0.041 0.000 0.983 188 E CA 0.745 57.139 56.400 -0.009 0.000 0.818 188 E CB -0.034 29.655 29.700 -0.017 0.000 0.758 188 E HN 0.408 nan 8.360 nan 0.000 0.467 189 A N 1.388 124.138 122.820 -0.117 0.000 1.877 189 A HA -0.150 4.169 4.320 -0.001 0.000 0.216 189 A C 2.468 179.987 177.584 -0.108 0.000 1.186 189 A CA 1.452 53.431 52.037 -0.096 0.000 0.620 189 A CB -0.936 17.972 19.000 -0.154 0.000 0.822 189 A HN 0.224 nan 8.150 nan 0.000 0.443 190 V N -0.111 119.678 119.914 -0.208 0.000 2.392 190 V HA -0.215 3.905 4.120 -0.001 0.000 0.249 190 V C 2.313 178.302 176.094 -0.174 0.000 1.059 190 V CA 3.242 65.373 62.300 -0.282 0.000 1.051 190 V CB -1.135 30.353 31.823 -0.558 0.000 0.658 190 V HN 0.604 nan 8.190 nan 0.000 0.455 191 T N 1.386 115.915 114.554 -0.043 0.000 2.595 191 T HA -0.204 4.146 4.350 -0.001 0.000 0.264 191 T C 1.833 176.528 174.700 -0.008 0.000 1.058 191 T CA 2.129 64.262 62.100 0.055 0.000 1.166 191 T CB -0.625 68.314 68.868 0.119 0.000 0.863 191 T HN 0.481 nan 8.240 nan 0.000 0.415 192 L N 1.603 122.820 121.223 -0.010 0.000 2.064 192 L HA -0.098 4.241 4.340 -0.001 0.000 0.216 192 L C 2.390 179.164 176.870 -0.161 0.000 1.077 192 L CA 2.379 57.202 54.840 -0.029 0.000 0.766 192 L CB -1.308 40.765 42.059 0.023 0.000 0.890 192 L HN 0.318 nan 8.230 nan 0.000 0.435 193 G N -0.381 108.344 108.800 -0.126 0.000 2.484 193 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.215 193 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.215 193 G C 1.719 176.498 174.900 -0.200 0.000 1.219 193 G CA 0.936 45.936 45.100 -0.167 0.000 0.791 193 G HN 0.528 nan 8.290 nan 0.000 0.550 194 I N 0.344 120.826 120.570 -0.146 0.000 2.315 194 I HA -0.172 3.997 4.170 -0.001 0.000 0.251 194 I C 2.682 178.738 176.117 -0.103 0.000 1.125 194 I CA 1.876 63.111 61.300 -0.108 0.000 1.392 194 I CB -0.110 37.860 38.000 -0.051 0.000 1.065 194 I HN 0.218 nan 8.210 nan 0.000 0.424 195 K N 0.848 121.178 120.400 -0.117 0.000 2.001 195 K HA -0.185 4.135 4.320 -0.001 0.000 0.208 195 K C 2.142 178.584 176.600 -0.264 0.000 1.048 195 K CA 1.460 57.698 56.287 -0.081 0.000 0.932 195 K CB -0.219 32.292 32.500 0.019 0.000 0.715 195 K HN 0.414 nan 8.250 nan 0.000 0.437 196 A N 1.451 123.832 122.820 -0.732 0.000 1.883 196 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 196 A C 2.079 179.451 177.584 -0.353 0.000 1.186 196 A CA 1.610 53.005 52.037 -1.071 0.000 0.624 196 A CB -0.725 17.644 19.000 -1.052 0.000 0.822 196 A HN 0.424 nan 8.150 nan 0.000 0.444 197 L N -0.328 120.753 121.223 -0.236 0.000 2.046 197 L HA -0.134 4.206 4.340 -0.001 0.000 0.208 197 L C 2.171 179.005 176.870 -0.061 0.000 1.077 197 L CA 2.532 57.299 54.840 -0.122 0.000 0.747 197 L CB -0.594 41.400 42.059 -0.108 0.000 0.896 197 L HN 0.419 nan 8.230 nan 0.000 0.432 198 K N -0.415 119.956 120.400 -0.048 0.000 1.965 198 K HA -0.228 4.092 4.320 -0.001 0.000 0.218 198 K C 2.217 178.840 176.600 0.039 0.000 1.048 198 K CA 2.342 58.631 56.287 0.004 0.000 0.960 198 K CB -0.420 32.094 32.500 0.024 0.000 0.732 198 K HN 0.617 nan 8.250 nan 0.000 0.444 199 S N 0.579 116.335 115.700 0.093 0.000 2.407 199 S HA -0.330 4.139 4.470 -0.001 0.000 0.244 199 S C 2.111 176.770 174.600 0.098 0.000 1.077 199 S CA 2.198 60.484 58.200 0.144 0.000 1.159 199 S CB -1.243 62.150 63.200 0.321 0.000 1.045 199 S HN 0.461 nan 8.310 nan 0.000 0.438 200 S N 1.470 117.221 115.700 0.085 0.000 2.523 200 S HA -0.077 4.393 4.470 -0.001 0.000 0.226 200 S C 1.817 176.435 174.600 0.031 0.000 1.062 200 S CA 1.390 59.622 58.200 0.054 0.000 1.207 200 S CB -0.850 62.365 63.200 0.026 0.000 1.151 200 S HN 0.471 nan 8.310 nan 0.000 0.408 201 L N 1.382 122.613 121.223 0.013 0.000 2.353 201 L HA 0.045 4.385 4.340 -0.001 0.000 0.220 201 L C 1.086 177.964 176.870 0.013 0.000 1.133 201 L CA 1.574 56.419 54.840 0.008 0.000 0.798 201 L CB -1.535 40.521 42.059 -0.005 0.000 0.922 201 L HN 0.402 nan 8.230 nan 0.000 0.445 202 E N 0.274 120.486 120.200 0.020 0.000 2.441 202 E HA -0.111 4.239 4.350 -0.001 0.000 0.210 202 E C 1.566 178.181 176.600 0.024 0.000 1.306 202 E CA 0.002 56.415 56.400 0.023 0.000 1.307 202 E CB -0.425 29.292 29.700 0.028 0.000 1.297 202 E HN 0.338 nan 8.360 nan 0.000 0.440 203 E N -0.300 119.913 120.200 0.020 0.000 2.152 203 E HA -0.063 4.287 4.350 -0.001 0.000 0.192 203 E C 1.077 177.686 176.600 0.015 0.000 0.983 203 E CA 0.783 57.194 56.400 0.019 0.000 0.818 203 E CB 0.031 29.741 29.700 0.016 0.000 0.758 203 E HN 0.303 nan 8.360 nan 0.000 0.467 204 G N 1.073 109.880 108.800 0.013 0.000 3.496 204 G HA2 0.028 3.987 3.960 -0.001 0.000 0.273 204 G HA3 0.028 3.987 3.960 -0.001 0.000 0.273 204 G C 0.571 175.477 174.900 0.011 0.000 1.279 204 G CA 0.526 45.632 45.100 0.010 0.000 1.041 204 G HN 0.279 nan 8.290 nan 0.000 0.539 205 E N 0.482 120.690 120.200 0.014 0.000 4.217 205 E HA -0.357 3.993 4.350 -0.001 0.000 0.199 205 E C 0.657 177.266 176.600 0.015 0.000 1.296 205 E CA 2.111 58.520 56.400 0.016 0.000 2.222 205 E CB -1.381 28.327 29.700 0.014 0.000 1.890 205 E HN 0.538 nan 8.360 nan 0.000 0.299 206 E N 0.345 120.552 120.200 0.012 0.000 2.415 206 E HA 0.077 4.426 4.350 -0.001 0.000 0.260 206 E C 0.978 177.584 176.600 0.010 0.000 1.016 206 E CA 0.389 56.796 56.400 0.012 0.000 0.924 206 E CB 0.258 29.964 29.700 0.010 0.000 0.961 206 E HN 0.401 nan 8.360 nan 0.000 0.459 207 L N 5.210 126.440 121.223 0.012 0.000 2.395 207 L HA 0.027 4.367 4.340 -0.001 0.000 0.218 207 L C 0.759 177.632 176.870 0.005 0.000 1.130 207 L CA 1.237 56.082 54.840 0.008 0.000 0.826 207 L CB -0.806 41.259 42.059 0.011 0.000 0.941 207 L HN 0.761 nan 8.230 nan 0.000 0.451 208 K N -0.632 119.773 120.400 0.009 0.000 1.860 208 K HA -0.247 4.072 4.320 -0.001 0.000 0.320 208 K C -0.213 176.394 176.600 0.012 0.000 1.716 208 K CA 1.661 57.953 56.287 0.008 0.000 0.609 208 K CB -1.786 30.716 32.500 0.003 0.000 0.915 208 K HN 0.375 nan 8.250 nan 0.000 0.766 209 A N 1.724 124.549 122.820 0.009 0.000 2.316 209 A HA 0.581 4.900 4.320 -0.001 0.000 0.324 209 A C -2.524 175.062 177.584 0.003 0.000 1.375 209 A CA -1.201 50.844 52.037 0.014 0.000 0.882 209 A CB 0.853 19.863 19.000 0.016 0.000 1.152 209 A HN 0.283 nan 8.150 nan 0.000 0.512 210 P HA 0.249 nan 4.420 nan 0.000 0.274 210 P C -0.386 176.897 177.300 -0.029 0.000 1.237 210 P CA -0.227 62.858 63.100 -0.026 0.000 0.793 210 P CB 0.741 32.418 31.700 -0.039 0.000 0.977 211 E N 1.793 121.964 120.200 -0.049 0.000 2.145 211 E HA 0.522 4.872 4.350 -0.001 0.000 0.270 211 E C -1.193 175.349 176.600 -0.096 0.000 0.906 211 E CA -0.640 55.731 56.400 -0.049 0.000 0.761 211 E CB 0.604 30.279 29.700 -0.043 0.000 1.116 211 E HN 0.358 nan 8.360 nan 0.000 0.408 212 I N 2.798 123.293 120.570 -0.124 0.000 2.686 212 I HA 0.777 4.947 4.170 -0.001 0.000 0.295 212 I C -1.780 174.193 176.117 -0.239 0.000 1.114 212 I CA -0.502 60.639 61.300 -0.265 0.000 1.038 212 I CB 1.709 39.407 38.000 -0.503 0.000 1.238 212 I HN 0.645 nan 8.210 nan 0.000 0.420 213 A N 4.521 127.231 122.820 -0.184 0.000 2.587 213 A HA 0.898 5.218 4.320 -0.001 0.000 0.293 213 A C -1.201 176.480 177.584 0.161 0.000 1.087 213 A CA -0.167 51.908 52.037 0.064 0.000 0.692 213 A CB 1.906 20.961 19.000 0.090 0.000 1.291 213 A HN 0.909 nan 8.150 nan 0.000 0.407 214 S N 0.053 115.969 115.700 0.361 0.000 2.588 214 S HA 0.818 5.287 4.470 -0.001 0.000 0.269 214 S C -0.995 173.644 174.600 0.065 0.000 1.157 214 S CA -0.505 57.865 58.200 0.283 0.000 0.824 214 S CB 1.200 64.591 63.200 0.318 0.000 1.126 214 S HN 1.750 nan 8.310 nan 0.000 0.464 215 I N 0.704 121.122 120.570 -0.253 0.000 2.894 215 I HA 0.750 4.919 4.170 -0.001 0.000 0.302 215 I C -1.350 174.638 176.117 -0.215 0.000 1.188 215 I CA -0.188 60.850 61.300 -0.436 0.000 1.014 215 I CB 2.343 39.666 38.000 -1.128 0.000 1.242 215 I HN 0.943 nan 8.210 nan 0.000 0.430 216 T N 4.899 119.374 114.554 -0.132 0.000 2.893 216 T HA 0.344 4.694 4.350 -0.001 0.000 0.293 216 T C -0.853 173.807 174.700 -0.066 0.000 1.027 216 T CA -0.357 61.705 62.100 -0.064 0.000 0.988 216 T CB 1.576 70.487 68.868 0.072 0.000 1.043 216 T HN 0.514 nan 8.240 nan 0.000 0.461 217 V N 4.961 124.841 119.914 -0.057 0.000 2.790 217 V HA 0.353 4.472 4.120 -0.001 0.000 0.304 217 V C 1.633 177.733 176.094 0.010 0.000 1.142 217 V CA 2.668 64.957 62.300 -0.017 0.000 1.282 217 V CB 0.276 32.090 31.823 -0.015 0.000 0.877 217 V HN 1.560 nan 8.190 nan 0.000 0.504 218 G N 4.451 113.276 108.800 0.042 0.000 2.254 218 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.225 218 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.225 218 G C 0.070 175.004 174.900 0.057 0.000 1.003 218 G CA 0.321 45.451 45.100 0.051 0.000 0.622 218 G HN 1.428 nan 8.290 nan 0.000 0.507 219 N N -0.533 118.172 118.700 0.009 0.000 3.204 219 N HA 0.470 5.209 4.740 -0.001 0.000 0.285 219 N C -0.598 174.741 175.510 -0.285 0.000 1.536 219 N CA -0.892 52.116 53.050 -0.069 0.000 0.832 219 N CB 0.857 39.312 38.487 -0.055 0.000 1.645 219 N HN 0.280 nan 8.380 nan 0.000 0.586 220 K N -0.610 119.554 120.400 -0.393 0.000 2.120 220 K HA 0.198 4.518 4.320 -0.001 0.000 0.245 220 K C -0.568 175.884 176.600 -0.246 0.000 1.024 220 K CA -0.313 55.652 56.287 -0.538 0.000 0.906 220 K CB 0.323 32.585 32.500 -0.397 0.000 1.051 220 K HN 0.348 nan 8.250 nan 0.000 0.491 221 Y N 1.007 121.185 120.300 -0.203 0.000 2.480 221 Y HA 0.009 4.558 4.550 -0.001 0.000 0.338 221 Y C 0.557 176.443 175.900 -0.024 0.000 1.220 221 Y CA 0.524 58.584 58.100 -0.068 0.000 1.430 221 Y CB 0.675 39.113 38.460 -0.036 0.000 1.311 221 Y HN 0.386 nan 8.280 nan 0.000 0.575 222 R N 4.916 125.575 120.500 0.266 0.000 2.476 222 R HA 0.491 4.831 4.340 -0.001 0.000 0.305 222 R C -1.737 174.732 176.300 0.281 0.000 0.965 222 R CA -0.482 55.734 56.100 0.194 0.000 0.867 222 R CB 0.569 30.939 30.300 0.117 0.000 1.176 222 R HN 0.737 nan 8.270 nan 0.000 0.447 223 I N 5.135 125.823 120.570 0.196 0.000 2.325 223 I HA 0.183 4.352 4.170 -0.001 0.000 0.291 223 I C -0.375 175.891 176.117 0.248 0.000 1.019 223 I CA -0.806 60.616 61.300 0.203 0.000 1.302 223 I CB 0.690 38.748 38.000 0.096 0.000 1.401 223 I HN 0.530 nan 8.210 nan 0.000 0.485 224 Y N 5.259 125.573 120.300 0.023 0.000 2.526 224 Y HA -0.011 4.538 4.550 -0.001 0.000 0.330 224 Y C 0.965 176.882 175.900 0.029 0.000 1.156 224 Y CA -0.830 57.285 58.100 0.025 0.000 1.419 224 Y CB 0.071 38.532 38.460 0.001 0.000 1.250 224 Y HN 0.529 nan 8.280 nan 0.000 0.540 225 D N 2.607 123.078 120.400 0.119 0.000 2.313 225 D HA 0.020 4.659 4.640 -0.001 0.000 0.247 225 D C 0.879 177.240 176.300 0.103 0.000 1.094 225 D CA -0.448 53.601 54.000 0.082 0.000 0.925 225 D CB 1.055 41.876 40.800 0.036 0.000 1.188 225 D HN 0.741 nan 8.370 nan 0.000 0.430 226 Q N 0.530 120.375 119.800 0.075 0.000 2.124 226 Q HA -0.329 4.010 4.340 -0.001 0.000 0.215 226 Q C 1.249 177.297 176.000 0.080 0.000 1.015 226 Q CA 2.407 58.252 55.803 0.070 0.000 0.890 226 Q CB 0.074 28.838 28.738 0.045 0.000 0.966 226 Q HN 0.527 nan 8.270 nan 0.000 0.412 227 E N 0.339 120.578 120.200 0.064 0.000 2.072 227 E HA -0.174 4.175 4.350 -0.001 0.000 0.191 227 E C 1.710 178.363 176.600 0.088 0.000 0.985 227 E CA 1.409 57.843 56.400 0.056 0.000 0.801 227 E CB -0.213 29.504 29.700 0.028 0.000 0.750 227 E HN 0.506 nan 8.360 nan 0.000 0.452 228 E N 0.334 120.603 120.200 0.115 0.000 2.058 228 E HA -0.198 4.152 4.350 -0.001 0.000 0.194 228 E C 2.054 178.916 176.600 0.438 0.000 0.997 228 E CA 1.343 57.864 56.400 0.201 0.000 0.801 228 E CB -0.063 29.704 29.700 0.111 0.000 0.746 228 E HN 0.162 nan 8.360 nan 0.000 0.450 229 V N 1.002 121.146 119.914 0.383 0.000 2.358 229 V HA -0.229 3.890 4.120 -0.001 0.000 0.246 229 V C 2.323 178.611 176.094 0.322 0.000 1.047 229 V CA 2.344 64.878 62.300 0.390 0.000 1.035 229 V CB -0.393 31.549 31.823 0.197 0.000 0.658 229 V HN 0.253 nan 8.190 nan 0.000 0.452 230 K N -0.119 120.393 120.400 0.186 0.000 2.281 230 K HA -0.255 4.064 4.320 -0.001 0.000 0.203 230 K C 2.221 178.870 176.600 0.081 0.000 1.046 230 K CA 1.800 58.154 56.287 0.111 0.000 0.938 230 K CB -0.200 32.339 32.500 0.066 0.000 0.737 230 K HN 0.550 nan 8.250 nan 0.000 0.458 231 K N -0.356 120.085 120.400 0.069 0.000 2.097 231 K HA -0.116 4.203 4.320 -0.001 0.000 0.205 231 K C 1.327 177.779 176.600 -0.247 0.000 1.050 231 K CA 1.289 57.495 56.287 -0.136 0.000 0.938 231 K CB 0.010 32.342 32.500 -0.279 0.000 0.718 231 K HN 0.080 nan 8.250 nan 0.000 0.442 232 F N 0.597 120.569 119.950 0.036 0.000 2.569 232 F HA 0.101 4.628 4.527 -0.001 0.000 0.295 232 F C 1.077 176.884 175.800 0.011 0.000 1.115 232 F CA -0.505 57.510 58.000 0.023 0.000 1.450 232 F CB -0.196 38.821 39.000 0.028 0.000 1.107 232 F HN -0.005 nan 8.300 nan 0.000 0.563 233 L N 0.000 121.336 121.223 0.188 0.000 2.949 233 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 233 L CA 0.000 54.903 54.840 0.106 0.000 0.813 233 L CB 0.000 42.111 42.059 0.088 0.000 0.961 233 L HN 0.000 nan 8.230 nan 0.000 0.502