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_G 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 18.676 19.000 -0.539 0.000 0.831 8 Y N 1.999 122.261 120.300 -0.062 0.000 2.457 8 Y HA 0.203 4.752 4.550 -0.001 0.000 0.263 8 Y C 1.040 176.849 175.900 -0.150 0.000 1.164 8 Y CA 0.491 58.566 58.100 -0.042 0.000 1.274 8 Y CB 0.616 39.106 38.460 0.051 0.000 1.097 8 Y HN 0.488 nan 8.280 nan 0.000 0.523 9 D N -1.227 119.107 120.400 -0.109 0.000 2.593 9 D HA 0.091 4.730 4.640 -0.001 0.000 0.241 9 D C 1.165 177.577 176.300 0.185 0.000 1.257 9 D CA -0.001 53.950 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 4.798 4.340 -0.001 0.000 0.200 10 R C 0.398 176.762 176.300 0.107 0.000 0.893 10 R CA 0.109 56.265 56.100 0.093 0.000 1.042 10 R CB 0.795 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 0.649 123.531 122.820 0.104 0.000 2.393 11 A HA 0.479 4.799 4.320 -0.001 0.000 0.306 11 A C 0.255 177.881 177.584 0.070 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 1.544 122.141 120.570 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 1.125 62.426 61.300 0.002 0.000 1.449 12 I CB -0.042 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 -0.327 114.209 114.554 -0.030 0.000 2.814 13 T HA 0.552 4.901 4.350 -0.001 0.000 0.297 13 T C -0.235 174.407 174.700 -0.096 0.000 0.956 13 T CA -0.454 61.605 62.100 -0.069 0.000 1.123 13 T CB 0.719 69.566 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 -1.349 30.474 31.823 0.000 0.000 2.454 14 V HN 0.896 nan 8.190 nan 0.000 0.485 15 F N 3.701 123.647 119.950 -0.006 0.000 2.399 15 F HA 0.606 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 58.607 58.000 -0.041 0.000 1.196 15 F CB 1.632 40.599 39.000 -0.055 0.000 1.163 15 F HN 0.715 nan 8.300 nan 0.000 0.547 16 S N 2.643 118.437 115.700 0.157 0.000 2.632 16 S HA 0.311 4.780 4.470 -0.001 0.000 0.267 16 S C -2.030 172.550 174.600 -0.032 0.000 1.276 16 S CA -1.211 57.048 58.200 0.099 0.000 0.998 16 S CB 1.122 64.404 63.200 0.136 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 0.391 177.616 177.300 -0.126 0.000 1.142 17 P CA 1.098 64.083 63.100 -0.192 0.000 0.778 17 P CB -0.112 31.375 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 0.098 54.046 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 1.371 110.114 108.800 -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 -0.217 174.672 174.900 -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 -1.057 119.403 120.500 -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 -0.328 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 4.081 125.130 121.223 -0.291 0.000 2.358 21 L HA 0.195 4.534 4.340 -0.001 0.000 0.274 21 L C 0.736 177.401 176.870 -0.341 0.000 1.136 21 L CA 0.103 54.764 54.840 -0.298 0.000 0.970 21 L CB -0.722 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 4.270 4.527 -0.001 0.000 0.301 22 F C 2.347 177.688 175.800 -0.765 0.000 1.087 22 F CA 1.361 59.058 58.000 -0.505 0.000 1.274 22 F CB -0.151 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 -0.092 119.542 119.800 -0.276 0.000 2.096 23 Q HA -0.173 4.166 4.340 -0.001 0.000 0.204 23 Q C 2.684 178.622 176.000 -0.102 0.000 0.982 23 Q CA 1.405 57.106 55.803 -0.169 0.000 0.850 23 Q CB -1.104 27.605 28.738 -0.049 0.000 0.901 23 Q HN 0.361 nan 8.270 nan 0.000 0.422 24 V N 1.295 121.144 119.914 -0.110 0.000 2.515 24 V HA -0.206 3.913 4.120 -0.001 0.000 0.250 24 V C 1.988 178.066 176.094 -0.027 0.000 1.058 24 V CA 1.535 63.805 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 -0.343 119.808 120.200 -0.082 0.000 2.015 25 E HA -0.194 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 1.541 57.948 56.400 0.011 0.000 0.802 25 E CB -0.667 29.032 29.700 -0.001 0.000 0.759 25 E HN 0.671 nan 8.360 nan 0.000 0.447 26 Y N 1.127 121.490 120.300 0.105 0.000 2.193 26 Y HA -0.177 4.372 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 0.493 58.639 58.100 0.077 0.000 1.181 26 Y CB -1.448 37.057 38.460 0.074 0.000 0.976 26 Y HN 0.036 nan 8.280 nan 0.000 0.520 27 A N 0.496 123.435 122.820 0.198 0.000 1.858 27 A HA -0.230 4.089 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 1.793 53.899 52.037 0.116 0.000 0.617 27 A CB -0.716 18.330 19.000 0.076 0.000 0.827 27 A HN 0.417 nan 8.150 nan 0.000 0.443 28 R N -0.404 120.150 120.500 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 0.734 120.995 120.200 0.101 0.000 2.049 29 E HA -0.215 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 1.630 58.078 56.400 0.081 0.000 0.809 29 E CB -0.464 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 2.559 180.159 177.584 0.027 0.000 1.177 30 A CA 2.425 54.484 52.037 0.037 0.000 0.636 30 A CB -0.941 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 -2.024 117.908 119.914 0.030 0.000 2.548 31 V HA -0.177 3.942 4.120 -0.001 0.000 0.249 31 V C 1.966 178.066 176.094 0.009 0.000 1.055 31 V CA 2.323 64.632 62.300 0.016 0.000 1.065 31 V CB -0.778 31.054 31.823 0.015 0.000 0.681 31 V HN 0.516 nan 8.190 nan 0.000 0.462 32 K N 0.787 121.198 120.400 0.017 0.000 2.103 32 K HA -0.106 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 1.909 58.203 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 0.753 121.158 120.400 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 0.361 32.864 32.500 0.006 0.000 0.849 33 K HN 0.129 nan 8.250 nan 0.000 0.509 34 G N 0.258 109.055 108.800 -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 -0.448 174.442 174.900 -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 -1.546 114.141 115.700 -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 0.216 58.400 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 1.113 115.645 114.554 -0.038 0.000 2.829 36 T HA 0.696 5.046 4.350 -0.001 0.000 0.282 36 T C -0.642 174.021 174.700 -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 3.894 126.668 122.820 -0.077 0.000 2.606 37 A HA 0.872 5.191 4.320 -0.001 0.000 0.293 37 A C -1.330 176.190 177.584 -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 20.138 19.000 -0.095 0.000 1.284 37 A HN 1.284 nan 8.150 nan 0.000 0.408 38 L N -1.911 119.243 121.223 -0.115 0.000 2.801 38 L HA 1.071 5.410 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 1.549 43.531 42.059 -0.129 0.000 1.529 38 L HN 1.642 nan 8.230 nan 0.000 0.399 39 G N 0.250 108.980 108.800 -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 -0.916 118.676 119.600 -0.014 0.000 2.605 40 M HA 0.579 5.059 4.480 -0.001 0.000 0.281 40 M C -1.620 174.715 176.300 0.058 0.000 1.166 40 M CA -1.075 54.224 55.300 -0.001 0.000 0.875 40 M CB 1.889 34.529 32.600 0.066 0.000 1.732 40 M HN 0.333 nan 8.290 nan 0.000 0.504 41 K N 1.430 121.849 120.400 0.032 0.000 2.154 41 K HA 0.731 5.051 4.320 -0.001 0.000 0.264 41 K C -1.054 175.637 176.600 0.151 0.000 1.008 41 K CA -0.231 56.033 56.287 -0.038 0.000 0.937 41 K CB 0.861 33.340 32.500 -0.035 0.000 1.002 41 K HN 0.571 nan 8.250 nan 0.000 0.469 42 F N -1.177 118.821 119.950 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 -0.724 57.315 58.000 0.066 0.000 0.998 42 F CB -0.337 38.689 39.000 0.043 0.000 1.531 42 F HN 0.493 nan 8.300 nan 0.000 0.521 43 A N 0.785 123.996 122.820 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 -1.817 116.971 118.700 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 -0.561 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 -0.180 119.198 119.914 -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 61.557 62.300 -0.524 0.000 1.008 46 V CB 1.874 33.558 31.823 -0.232 0.000 1.064 46 V HN 1.483 nan 8.190 nan 0.000 0.434 47 L N 3.663 124.958 121.223 0.120 0.000 2.350 47 L HA 0.939 5.278 4.340 -0.001 0.000 0.260 47 L C -1.936 174.981 176.870 0.079 0.000 1.015 47 L CA -0.798 54.153 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 2.754 124.004 121.223 0.045 0.000 2.381 48 L HA 0.777 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 1.969 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 1.988 122.492 120.570 -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 2.108 40.009 38.000 -0.165 0.000 1.251 49 I HN 0.478 nan 8.210 nan 0.000 0.424 50 S N 4.725 120.366 115.700 -0.098 0.000 2.542 50 S HA 0.564 5.033 4.470 -0.001 0.000 0.293 50 S C -1.324 173.236 174.600 -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 64.370 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 0.060 54.034 54.000 -0.042 0.000 0.870 51 D CB 0.517 41.295 40.800 -0.036 0.000 1.076 51 D HN 0.455 nan 8.370 nan 0.000 0.483 52 K N 4.093 124.476 120.400 -0.027 0.000 2.184 52 K HA 0.133 4.453 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 55.808 56.287 -0.020 0.000 0.991 52 K CB 0.112 32.602 32.500 -0.017 0.000 1.522 52 K HN 0.240 nan 8.250 nan 0.000 0.405 53 K N 2.687 123.079 120.400 -0.013 0.000 2.284 53 K HA 0.141 4.461 4.320 -0.001 0.000 0.287 53 K C -0.528 176.068 176.600 -0.007 0.000 1.081 53 K CA -0.372 55.910 56.287 -0.009 0.000 0.910 53 K CB 1.646 34.140 32.500 -0.009 0.000 1.088 53 K HN 0.195 nan 8.250 nan 0.000 0.478 54 V N 3.222 123.134 119.914 -0.004 0.000 2.850 54 V HA 0.388 4.508 4.120 -0.001 0.000 0.315 54 V C 0.388 176.481 176.094 -0.001 0.000 1.064 54 V CA -0.318 61.981 62.300 -0.002 0.000 0.979 54 V CB 1.761 33.584 31.823 -0.001 0.000 1.039 54 V HN 0.798 nan 8.190 nan 0.000 0.452 55 R N 2.475 122.974 120.500 -0.001 0.000 1.747 55 R HA 0.429 4.768 4.340 -0.001 0.000 0.136 55 R C 1.024 177.325 176.300 0.001 0.000 2.116 55 R CA 1.007 57.106 56.100 -0.000 0.000 1.739 55 R CB -0.579 29.720 30.300 -0.001 0.000 1.333 55 R HN 0.737 nan 8.270 nan 0.000 0.480 56 S N 0.224 115.925 115.700 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 1.860 122.361 120.500 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 56.643 56.100 0.002 0.000 0.995 57 R CB -0.327 29.975 30.300 0.002 0.000 0.893 57 R HN 0.443 nan 8.270 nan 0.000 0.459 58 L N 0.767 121.991 121.223 0.002 0.000 2.551 58 L HA 0.033 4.372 4.340 -0.001 0.000 0.228 58 L C 0.689 177.560 176.870 0.002 0.000 1.153 58 L CA 0.786 55.627 54.840 0.002 0.000 0.851 58 L CB -0.308 41.752 42.059 0.001 0.000 0.959 58 L HN 0.070 nan 8.230 nan 0.000 0.451 59 I N -0.004 120.567 120.570 0.001 0.000 2.581 59 I HA 0.035 4.204 4.170 -0.001 0.000 0.288 59 I C 1.160 177.278 176.117 0.002 0.000 1.047 59 I CA -0.091 61.210 61.300 0.001 0.000 1.374 59 I CB 0.671 38.671 38.000 0.000 0.000 1.423 59 I HN 0.074 nan 8.210 nan 0.000 0.549 60 E N 5.043 125.244 120.200 0.002 0.000 2.545 60 E HA 0.005 4.354 4.350 -0.001 0.000 0.271 60 E C 0.809 177.411 176.600 0.002 0.000 1.508 60 E CA -0.167 56.235 56.400 0.002 0.000 1.774 60 E CB -0.151 29.550 29.700 0.002 0.000 1.460 60 E HN 0.584 nan 8.360 nan 0.000 0.449 61 Q N -0.129 119.673 119.800 0.003 0.000 2.375 61 Q HA -0.433 3.906 4.340 -0.001 0.000 0.443 61 Q C 1.258 177.260 176.000 0.002 0.000 0.608 61 Q CA 2.040 57.845 55.803 0.003 0.000 0.954 61 Q CB -1.353 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 0.673 119.376 118.700 0.004 0.000 2.144 62 N HA -0.249 4.490 4.740 -0.001 0.000 0.195 62 N C 1.299 176.809 175.510 -0.001 0.000 1.006 62 N CA 2.430 55.482 53.050 0.003 0.000 0.880 62 N CB -0.452 38.039 38.487 0.007 0.000 1.018 62 N HN 0.539 nan 8.380 nan 0.000 0.443 63 S N 0.662 116.362 115.700 -0.000 0.000 2.423 63 S HA -0.132 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 0.699 58.898 58.200 -0.002 0.000 1.000 63 S CB -0.303 62.897 63.200 0.000 0.000 0.797 63 S HN 0.525 nan 8.310 nan 0.000 0.487 64 I N 2.670 123.237 120.570 -0.006 0.000 2.571 64 I HA 0.062 4.232 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 61.063 61.300 -0.009 0.000 1.677 64 I CB -0.205 37.790 38.000 -0.008 0.000 1.460 64 I HN -0.020 nan 8.210 nan 0.000 0.693 65 E N 3.834 124.024 120.200 -0.017 0.000 2.299 65 E HA 0.028 4.377 4.350 -0.001 0.000 0.272 65 E C 0.414 176.994 176.600 -0.034 0.000 1.043 65 E CA 0.161 56.546 56.400 -0.025 0.000 0.895 65 E CB 1.144 30.830 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 56.589 56.287 -0.054 0.000 0.981 66 K CB 0.486 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 2.622 123.145 120.570 -0.079 0.000 2.312 67 I HA 0.059 4.228 4.170 -0.001 0.000 0.291 67 I C -0.378 175.675 176.117 -0.107 0.000 1.031 67 I CA -0.121 61.116 61.300 -0.106 0.000 1.293 67 I CB 1.022 38.955 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 -0.996 174.936 176.000 -0.112 0.000 1.054 68 Q CA -0.887 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 0.276 4.616 4.340 -0.001 0.000 0.275 69 L C 0.731 177.590 176.870 -0.018 0.000 1.099 69 L CA 0.075 54.858 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 -0.130 176.019 176.117 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 -1.278 119.172 120.400 0.083 0.000 2.728 71 D HA -0.003 4.637 4.640 -0.001 0.000 0.249 71 D C -0.247 176.165 176.300 0.187 0.000 1.225 71 D CA -0.472 53.601 54.000 0.121 0.000 0.748 71 D CB 0.711 41.585 40.800 0.123 0.000 1.326 71 D HN -0.170 nan 8.370 nan 0.000 0.426 72 D N 0.341 120.871 120.400 0.217 0.000 2.332 72 D HA -0.185 4.454 4.640 -0.001 0.000 0.209 72 D C 0.453 176.844 176.300 0.152 0.000 0.988 72 D CA 1.480 55.588 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 -1.045 119.364 120.300 0.181 0.000 2.500 73 Y HA 0.336 4.885 4.550 -0.001 0.000 0.246 73 Y C 0.271 176.343 175.900 0.288 0.000 1.146 73 Y CA -0.439 57.776 58.100 0.193 0.000 1.230 73 Y CB 1.141 39.651 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 -0.609 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 0.079 nan 8.190 nan 0.000 0.427 75 A N 5.056 127.931 122.820 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 2.087 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 -0.634 122.137 122.820 -0.082 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 2.119 nan 8.150 nan 0.000 0.404 77 V N 0.468 120.239 119.914 -0.239 0.000 2.789 77 V HA 0.859 4.979 4.120 -0.001 0.000 0.311 77 V C -0.294 175.677 176.094 -0.206 0.000 1.073 77 V CA 0.257 62.448 62.300 -0.181 0.000 0.921 77 V CB 2.102 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 3.543 118.006 114.554 -0.152 0.000 2.930 78 T HA 0.721 5.070 4.350 -0.001 0.000 0.290 78 T C -1.109 173.538 174.700 -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 1.035 nan 8.240 nan 0.000 0.511 79 S N 0.764 116.422 115.700 -0.070 0.000 2.603 79 S HA 0.759 5.228 4.470 -0.001 0.000 0.274 79 S C -0.226 174.359 174.600 -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 63.800 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 -1.752 173.152 174.900 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 2.135 123.369 121.223 0.017 0.000 2.597 81 L HA 0.099 4.439 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 55.798 54.840 0.017 0.000 0.928 81 L CB 0.209 42.282 42.059 0.023 0.000 1.216 81 L HN 0.809 nan 8.230 nan 0.000 0.481 82 V N 6.006 125.925 119.914 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 -0.130 31.694 31.823 0.001 0.000 0.643 82 V HN 0.968 nan 8.190 nan 0.000 0.445 83 A N -0.381 122.450 122.820 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 2.489 54.543 52.037 0.028 0.000 0.629 83 A CB -1.245 17.769 19.000 0.023 0.000 0.830 83 A HN 0.673 nan 8.150 nan 0.000 0.446 84 D N -0.194 120.242 120.400 0.061 0.000 2.133 84 D HA -0.072 4.567 4.640 -0.001 0.000 0.195 84 D C 2.185 178.539 176.300 0.090 0.000 0.997 84 D CA 1.647 55.720 54.000 0.122 0.000 0.840 84 D CB -0.365 40.517 40.800 0.138 0.000 0.947 84 D HN 0.467 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 1.762 53.803 52.037 0.006 0.000 0.620 85 A CB -0.550 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 -0.427 120.084 120.500 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 -0.807 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 0.971 120.918 119.914 0.054 0.000 2.380 87 V HA -0.213 3.906 4.120 -0.001 0.000 0.251 87 V C 2.121 178.250 176.094 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 -0.621 120.597 121.223 -0.008 0.000 2.217 88 L HA -0.014 4.325 4.340 -0.001 0.000 0.211 88 L C 2.322 179.241 176.870 0.082 0.000 1.107 88 L CA 1.776 56.569 54.840 -0.078 0.000 0.783 88 L CB -0.350 41.579 42.059 -0.217 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 3.856 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 1.875 64.230 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 -0.506 119.943 120.400 0.081 0.000 2.158 90 D HA -0.211 4.428 4.640 -0.001 0.000 0.197 90 D C 1.896 178.236 176.300 0.068 0.000 0.995 90 D CA 1.445 55.484 54.000 0.065 0.000 0.846 90 D CB -0.265 40.573 40.800 0.062 0.000 0.941 90 D HN 0.455 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 -0.220 4.306 4.527 -0.001 0.000 0.298 91 F C 2.232 178.020 175.800 -0.019 0.000 1.113 91 F CA 1.863 59.851 58.000 -0.019 0.000 1.214 91 F CB -0.372 38.597 39.000 -0.051 0.000 0.978 91 F HN -0.054 nan 8.300 nan 0.000 0.474 92 A N 0.584 123.404 122.820 -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 1.788 53.767 52.037 -0.096 0.000 0.631 92 A CB -0.799 18.262 19.000 0.101 0.000 0.814 92 A HN 0.489 nan 8.150 nan 0.000 0.446 93 R N -0.259 120.199 120.500 -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 58.024 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 0.820 nan 8.270 nan 0.000 0.430 94 I N -1.859 118.623 120.570 -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 1.743 62.950 61.300 -0.154 0.000 1.404 94 I CB -0.375 37.542 38.000 -0.138 0.000 1.071 94 I HN 0.020 nan 8.210 nan 0.000 0.419 95 S N 1.221 116.686 115.700 -0.393 0.000 2.383 95 S HA -0.130 4.339 4.470 -0.001 0.000 0.229 95 S C 2.216 176.680 174.600 -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 1.262 123.973 122.820 -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 53.479 52.037 -0.111 0.000 0.617 96 A CB -0.854 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 2.047 57.823 55.803 -0.046 0.000 0.858 97 Q CB -0.638 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 0.269 120.033 119.800 -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 1.659 57.439 55.803 -0.039 0.000 0.851 98 Q CB -0.196 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 1.081 57.533 56.400 0.086 0.000 0.804 99 E CB 0.176 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 0.017 120.435 120.400 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 32.180 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 2.428 178.506 176.094 -0.027 0.000 1.080 101 V CA 2.386 64.681 62.300 -0.008 0.000 1.101 101 V CB -0.252 31.561 31.823 -0.017 0.000 0.698 101 V HN 0.582 nan 8.190 nan 0.000 0.477 102 T N -2.318 112.220 114.554 -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 68.264 68.868 -0.232 0.000 0.866 102 T HN 0.475 nan 8.240 nan 0.000 0.437 103 Y N 1.244 121.523 120.300 -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 0.293 58.373 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 -0.272 108.588 108.800 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 45.439 45.100 0.042 0.000 0.632 104 G HN 0.440 nan 8.290 nan 0.000 0.529 105 S N -1.170 114.554 115.700 0.039 0.000 2.570 105 S HA 0.471 4.940 4.470 -0.001 0.000 0.286 105 S C -1.019 173.555 174.600 -0.044 0.000 1.143 105 S CA -0.247 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 1.545 nan 8.310 nan 0.000 0.456 106 L N 7.272 128.451 121.223 -0.073 0.000 2.415 106 L HA 0.411 4.750 4.340 -0.001 0.000 0.269 106 L C 1.190 177.999 176.870 -0.102 0.000 1.244 106 L CA 0.549 55.335 54.840 -0.090 0.000 1.113 106 L CB -0.044 41.969 42.059 -0.077 0.000 1.352 106 L HN 0.693 nan 8.230 nan 0.000 0.433 107 V N 4.270 124.113 119.914 -0.117 0.000 2.307 107 V HA -0.030 4.089 4.120 -0.001 0.000 0.245 107 V C 0.904 176.947 176.094 -0.086 0.000 1.045 107 V CA 1.352 63.590 62.300 -0.102 0.000 1.024 107 V CB -0.109 31.646 31.823 -0.114 0.000 0.651 107 V HN 0.910 nan 8.190 nan 0.000 0.449 108 N N 0.057 118.694 118.700 -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 52.868 53.050 -0.079 0.000 0.930 108 N CB 1.382 39.817 38.487 -0.085 0.000 1.172 108 N HN 0.458 nan 8.380 nan 0.000 0.499 109 I N 2.720 123.264 120.570 -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 1.935 178.261 176.600 -0.456 0.000 1.008 110 E CA 1.778 57.830 56.400 -0.580 0.000 0.810 110 E CB -0.351 29.186 29.700 -0.272 0.000 0.739 110 E HN 0.598 nan 8.360 nan 0.000 0.456 111 N N 0.342 118.877 118.700 -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 54.049 53.050 -0.226 0.000 0.852 111 N CB -0.146 38.233 38.487 -0.180 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 -0.419 0.000 1.073 112 L CA 1.442 56.101 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 -0.492 119.069 119.914 -0.589 0.000 2.343 113 V HA -0.304 3.815 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 2.170 64.064 62.300 -0.677 0.000 1.036 113 V CB -0.410 31.000 31.823 -0.690 0.000 0.654 113 V HN 0.613 nan 8.190 nan 0.000 0.451 114 K N -0.458 119.768 120.400 -0.290 0.000 2.074 114 K HA -0.267 4.052 4.320 -0.001 0.000 0.209 114 K C 2.410 178.964 176.600 -0.077 0.000 1.048 114 K CA 2.203 58.396 56.287 -0.157 0.000 0.926 114 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 0.444 115 R N 0.756 121.216 120.500 -0.068 0.000 2.080 115 R HA -0.137 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 1.492 57.621 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 0.781 120.779 119.914 0.140 0.000 2.490 116 V HA -0.192 3.927 4.120 -0.001 0.000 0.250 116 V C 2.137 178.230 176.094 -0.001 0.000 1.061 116 V CA 2.083 64.486 62.300 0.171 0.000 1.064 116 V CB -0.371 31.551 31.823 0.164 0.000 0.670 116 V HN 0.546 nan 8.190 nan 0.000 0.461 117 A N -0.354 122.466 122.820 -0.000 0.000 1.877 117 A HA -0.227 4.092 4.320 -0.001 0.000 0.216 117 A C 1.958 179.548 177.584 0.010 0.000 1.186 117 A CA 1.981 54.023 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 -0.694 119.717 120.400 0.017 0.000 2.149 118 D HA -0.150 4.490 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 1.123 55.147 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 0.020 119.802 119.800 -0.029 0.000 2.045 119 Q HA -0.121 4.218 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 1.196 56.933 55.803 -0.110 0.000 0.851 119 Q CB -0.274 28.127 28.738 -0.561 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 1.307 56.656 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 1.086 120.962 119.800 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 1.735 57.605 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 -0.819 119.123 119.800 0.236 0.000 2.061 122 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 0.984 122 Q CA 1.527 57.499 55.803 0.281 0.000 0.846 122 Q CB -0.148 28.770 28.738 0.300 0.000 0.902 122 Q HN 0.479 nan 8.270 nan 0.000 0.421 123 Y N -0.151 120.225 120.300 0.126 0.000 2.680 123 Y HA -0.079 4.471 4.550 -0.001 0.000 0.303 123 Y C 2.155 178.058 175.900 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 38.214 38.460 0.014 0.000 1.002 123 Y HN 0.052 nan 8.280 nan 0.000 0.537 124 T N -0.431 114.197 114.554 0.123 0.000 3.023 124 T HA -0.130 4.219 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 1.554 63.657 62.100 0.004 0.000 1.129 124 T CB -0.020 68.848 68.868 -0.000 0.000 0.899 124 T HN 0.635 nan 8.240 nan 0.000 0.491 125 Q N -1.333 118.374 119.800 -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 -0.124 28.397 28.738 -0.362 0.000 1.158 125 Q HN 0.352 nan 8.270 nan 0.000 0.490 126 Y N 3.131 123.370 120.300 -0.102 0.000 3.180 126 Y HA 0.257 4.806 4.550 -0.001 0.000 0.386 126 Y C 1.615 177.445 175.900 -0.117 0.000 1.054 126 Y CA 0.986 59.012 58.100 -0.123 0.000 2.020 126 Y CB -0.627 37.724 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 -0.039 45.058 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 -0.177 174.714 174.900 -0.016 0.000 0.655 128 G CA 1.309 46.403 45.100 -0.010 0.000 2.105 128 G HN 1.807 nan 8.290 nan 0.000 0.558 129 V N 1.616 121.527 119.914 -0.004 0.000 2.915 129 V HA 0.361 4.480 4.120 -0.001 0.000 0.273 129 V C -0.305 175.823 176.094 0.057 0.000 1.538 129 V CA -1.221 61.093 62.300 0.022 0.000 0.946 129 V CB 1.726 33.538 31.823 -0.019 0.000 1.183 129 V HN 0.720 nan 8.190 nan 0.000 0.446 130 R N 6.486 127.009 120.500 0.038 0.000 2.438 130 R HA 0.490 4.829 4.340 -0.001 0.000 0.287 130 R C -2.351 173.927 176.300 -0.036 0.000 1.077 130 R CA -0.986 55.117 56.100 0.006 0.000 1.034 130 R CB 1.246 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 -0.049 nan 4.420 nan 0.000 0.271 131 P C -1.184 175.997 177.300 -0.198 0.000 1.244 131 P CA 0.064 63.133 63.100 -0.051 0.000 0.793 131 P CB 0.259 31.976 31.700 0.029 0.000 0.984 132 Y N -0.069 120.167 120.300 -0.107 0.000 2.531 132 Y HA 0.311 4.861 4.550 -0.001 0.000 0.347 132 Y C 1.673 177.541 175.900 -0.052 0.000 1.024 132 Y CA 0.309 58.336 58.100 -0.122 0.000 1.306 132 Y CB -0.302 38.053 38.460 -0.176 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 -0.879 174.058 174.900 0.062 0.000 0.801 133 G CA -0.053 45.084 45.100 0.061 0.000 1.978 133 G HN 0.547 nan 8.290 nan 0.000 0.591 134 V N -0.273 119.681 119.914 0.066 0.000 3.167 134 V HA 0.820 4.939 4.120 -0.001 0.000 0.293 134 V C -1.142 174.963 176.094 0.018 0.000 1.379 134 V CA -0.652 61.668 62.300 0.034 0.000 1.019 134 V CB 2.108 33.948 31.823 0.028 0.000 1.115 134 V HN 0.343 nan 8.190 nan 0.000 0.442 135 S N 4.172 119.867 115.700 -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 0.315 121.471 121.223 -0.113 0.000 2.720 136 L HA 0.770 5.110 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 -1.023 53.672 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 -1.809 118.517 120.570 -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 2.205 40.106 38.000 -0.164 0.000 1.241 137 I HN 0.443 nan 8.210 nan 0.000 0.421 138 F N 4.208 124.223 119.950 0.110 0.000 2.443 138 F HA 0.859 5.385 4.527 -0.001 0.000 0.335 138 F C 0.451 176.350 175.800 0.164 0.000 1.104 138 F CA -0.552 57.524 58.000 0.127 0.000 1.013 138 F CB 2.090 41.178 39.000 0.147 0.000 1.136 138 F HN 0.726 nan 8.300 nan 0.000 0.470 139 A N 1.676 124.678 122.820 0.303 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 20.765 19.000 0.183 0.000 1.278 139 A HN 1.255 nan 8.150 nan 0.000 0.405 140 G N -0.149 108.789 108.800 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 1.572 122.181 120.570 0.064 0.000 2.406 141 I HA 0.561 4.731 4.170 -0.001 0.000 0.290 141 I C -1.091 175.079 176.117 0.088 0.000 0.999 141 I CA -0.658 60.669 61.300 0.044 0.000 1.124 141 I CB 1.405 39.402 38.000 -0.004 0.000 1.289 141 I HN 0.843 nan 8.210 nan 0.000 0.441 142 D N 5.359 125.792 120.400 0.057 0.000 2.666 142 D HA 0.140 4.780 4.640 -0.001 0.000 0.252 142 D C 0.488 176.791 176.300 0.005 0.000 1.143 142 D CA -0.238 53.779 54.000 0.028 0.000 1.096 142 D CB 0.575 41.394 40.800 0.032 0.000 1.260 142 D HN 0.464 nan 8.370 nan 0.000 0.633 143 Q N -0.670 119.120 119.800 -0.016 0.000 2.181 143 Q HA -0.030 4.309 4.340 -0.001 0.000 0.205 143 Q C 1.716 177.712 176.000 -0.007 0.000 0.980 143 Q CA 1.715 57.505 55.803 -0.021 0.000 0.862 143 Q CB -0.369 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 -1.307 119.265 120.570 0.003 0.000 2.716 144 I HA 0.169 4.338 4.170 -0.001 0.000 0.259 144 I C 1.198 177.318 176.117 0.006 0.000 1.172 144 I CA 0.577 61.882 61.300 0.009 0.000 1.478 144 I CB 0.020 38.033 38.000 0.022 0.000 1.104 144 I HN 0.332 nan 8.210 nan 0.000 0.439 145 G N 0.345 109.150 108.800 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 -1.090 44.007 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 2.386 122.875 120.500 -0.019 0.000 2.725 147 R HA 0.714 5.053 4.340 -0.001 0.000 0.277 147 R C -1.397 174.869 176.300 -0.057 0.000 0.987 147 R CA -1.113 54.962 56.100 -0.041 0.000 0.901 147 R CB 1.957 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 2.669 123.724 121.223 -0.279 0.000 2.406 148 L HA 0.588 4.927 4.340 -0.001 0.000 0.272 148 L C -1.811 174.825 176.870 -0.389 0.000 0.980 148 L CA -0.311 54.420 54.840 -0.182 0.000 0.831 148 L CB 1.284 43.275 42.059 -0.114 0.000 1.253 148 L HN 0.521 nan 8.230 nan 0.000 0.406 149 F N 2.752 122.814 119.950 0.187 0.000 2.603 149 F HA 0.669 5.195 4.527 -0.001 0.000 0.317 149 F C -0.414 175.505 175.800 0.198 0.000 1.066 149 F CA -0.620 57.527 58.000 0.244 0.000 0.941 149 F CB 2.078 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 0.071 120.721 120.400 0.417 0.000 2.547 150 D HA 0.528 5.167 4.640 -0.001 0.000 0.231 150 D C -1.562 174.890 176.300 0.253 0.000 1.099 150 D CA -0.491 53.626 54.000 0.195 0.000 0.901 150 D CB 1.862 42.651 40.800 -0.018 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 0.569 5.028 4.460 -0.001 0.000 0.328 151 C C -1.448 173.590 174.990 0.081 0.000 1.145 151 C CA -0.430 58.679 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 4.139 124.585 120.400 0.078 0.000 2.442 152 D HA 0.466 5.105 4.640 -0.001 0.000 0.254 152 D C -2.288 174.046 176.300 0.056 0.000 1.069 152 D CA -1.741 52.292 54.000 0.055 0.000 1.017 152 D CB 0.847 41.680 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 0.931 178.269 177.300 0.065 0.000 1.144 153 P CA 1.870 65.010 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 -1.058 121.792 122.820 0.050 0.000 2.167 154 A HA 0.353 4.673 4.320 -0.001 0.000 0.214 154 A C 1.790 179.404 177.584 0.050 0.000 1.151 154 A CA 1.063 53.124 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 -1.682 107.152 108.800 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 45.451 45.100 0.056 0.000 0.650 155 G HN 0.638 nan 8.290 nan 0.000 0.527 156 T N 1.138 115.731 114.554 0.064 0.000 2.884 156 T HA 0.551 4.901 4.350 -0.001 0.000 0.298 156 T C 0.282 175.045 174.700 0.104 0.000 0.998 156 T CA 0.538 62.681 62.100 0.072 0.000 1.124 156 T CB 1.987 70.896 68.868 0.067 0.000 0.931 156 T HN 0.776 nan 8.240 nan 0.000 0.531 157 I N 2.600 123.238 120.570 0.113 0.000 2.582 157 I HA 0.570 4.739 4.170 -0.001 0.000 0.292 157 I C -1.571 174.668 176.117 0.204 0.000 1.066 157 I CA -0.875 60.528 61.300 0.172 0.000 1.053 157 I CB 1.904 39.973 38.000 0.114 0.000 1.241 157 I HN 0.639 nan 8.210 nan 0.000 0.421 158 N N 4.558 123.445 118.700 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 0.254 0.000 1.155 158 N CA -0.840 52.331 53.050 0.203 0.000 0.822 158 N CB 1.941 40.419 38.487 -0.014 0.000 1.619 158 N HN 0.587 nan 8.380 nan 0.000 0.476 159 E N 1.051 121.231 120.200 -0.034 0.000 2.216 159 E HA 0.355 4.704 4.350 -0.001 0.000 0.279 159 E C -1.245 175.138 176.600 -0.362 0.000 0.997 159 E CA -0.350 55.838 56.400 -0.353 0.000 0.817 159 E CB 0.709 30.084 29.700 -0.541 0.000 1.096 159 E HN 0.427 nan 8.360 nan 0.000 0.393 160 Y N 2.320 122.450 120.300 -0.285 0.000 2.650 160 Y HA 0.291 4.841 4.550 -0.001 0.000 0.331 160 Y C 0.866 176.635 175.900 -0.219 0.000 1.082 160 Y CA -0.896 57.082 58.100 -0.202 0.000 1.171 160 Y CB 1.151 39.511 38.460 -0.167 0.000 1.326 160 Y HN 0.493 nan 8.280 nan 0.000 0.513 161 K N 0.500 120.880 120.400 -0.033 0.000 2.335 161 K HA 0.650 4.969 4.320 -0.001 0.000 0.195 161 K C -0.857 175.568 176.600 -0.291 0.000 1.058 161 K CA 0.719 56.927 56.287 -0.132 0.000 0.988 161 K CB 0.680 33.101 32.500 -0.132 0.000 0.880 161 K HN 0.672 nan 8.250 nan 0.000 0.513 162 A N -0.990 121.671 122.820 -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 1.073 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 -0.927 113.472 114.554 -0.258 0.000 2.686 163 T HA 0.861 5.211 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 1.064 69.368 68.868 -0.940 0.000 1.652 163 T HN 2.600 nan 8.240 nan 0.000 0.496 164 A N 0.756 123.420 122.820 -0.261 0.000 2.583 164 A HA 0.980 5.300 4.320 -0.001 0.000 0.289 164 A C -1.699 175.783 177.584 -0.170 0.000 1.151 164 A CA -0.601 51.327 52.037 -0.183 0.000 0.695 164 A CB 1.545 20.471 19.000 -0.124 0.000 1.290 164 A HN 1.130 nan 8.150 nan 0.000 0.419 165 I N -2.179 118.317 120.570 -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 1.226 62.467 61.300 -0.097 0.000 0.969 165 I CB 1.870 39.801 38.000 -0.114 0.000 1.328 165 I HN 2.313 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 0.428 175.315 174.900 -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 2.231 176.827 174.600 -0.007 0.000 1.034 167 S CA 2.401 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 2.082 nan 8.310 nan 0.000 0.422 168 G N 1.329 110.123 108.800 -0.011 0.000 3.414 168 G HA2 0.112 4.072 3.960 -0.001 0.000 0.258 168 G HA3 0.112 4.072 3.960 -0.001 0.000 0.258 168 G C 0.829 175.724 174.900 -0.009 0.000 1.348 168 G CA -0.100 44.998 45.100 -0.005 0.000 1.319 168 G HN 0.586 nan 8.290 nan 0.000 0.555 169 K N 0.536 120.928 120.400 -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 1.668 57.942 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 0.447 120.853 120.400 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 -0.178 40.638 40.800 0.026 0.000 0.936 170 D HN 0.449 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 53.726 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 2.592 64.913 62.300 0.036 0.000 1.042 172 V CB -0.415 31.383 31.823 -0.041 0.000 0.650 172 V HN 0.383 nan 8.190 nan 0.000 0.450 173 V N -0.156 119.776 119.914 0.030 0.000 2.332 173 V HA -0.234 3.885 4.120 -0.001 0.000 0.248 173 V C 2.627 178.773 176.094 0.087 0.000 1.055 173 V CA 2.853 65.172 62.300 0.032 0.000 1.038 173 V CB -0.291 31.540 31.823 0.013 0.000 0.651 173 V HN 0.745 nan 8.190 nan 0.000 0.450 174 S N -0.204 115.558 115.700 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 1.686 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 0.715 nan 8.310 nan 0.000 0.462 175 F N 2.921 122.887 119.950 0.026 0.000 2.069 175 F HA -0.132 4.394 4.527 -0.001 0.000 0.298 175 F C 1.814 177.648 175.800 0.056 0.000 1.113 175 F CA 1.129 59.150 58.000 0.035 0.000 1.214 175 F CB -0.722 38.295 39.000 0.028 0.000 0.978 175 F HN 0.071 nan 8.300 nan 0.000 0.474 176 L N 0.567 122.051 121.223 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 2.150 57.177 54.840 0.312 0.000 0.749 176 L CB -1.939 40.187 42.059 0.110 0.000 0.890 176 L HN 0.238 nan 8.230 nan 0.000 0.431 177 E N 0.076 120.380 120.200 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 58.317 56.400 0.129 0.000 0.819 177 E CB -0.040 29.717 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 1.381 177.751 176.300 0.116 0.000 1.188 178 R CA 1.027 57.181 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 0.090 nan 8.270 nan 0.000 0.444 179 E N 0.273 120.579 120.200 0.178 0.000 2.403 179 E HA -0.051 4.298 4.350 -0.001 0.000 0.188 179 E C -0.918 175.832 176.600 0.251 0.000 1.056 179 E CA -0.316 56.205 56.400 0.202 0.000 0.892 179 E CB 0.234 30.074 29.700 0.234 0.000 1.049 179 E HN 0.241 nan 8.360 nan 0.000 0.465 180 Y N 2.024 122.411 120.300 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 38.965 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 55.564 56.287 -0.547 0.000 0.896 181 K CB 1.011 33.362 32.500 -0.250 0.000 1.124 181 K HN 0.825 nan 8.250 nan 0.000 0.451 182 E N 3.343 123.228 120.200 -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 -0.112 0.000 1.008 182 E CA 2.330 58.596 56.400 -0.224 0.000 0.975 182 E CB -0.179 29.493 29.700 -0.047 0.000 0.901 182 E HN 0.732 nan 8.360 nan 0.000 0.537 183 N N -0.218 118.451 118.700 -0.052 0.000 2.758 183 N HA 0.173 4.912 4.740 -0.001 0.000 0.293 183 N C -1.164 174.360 175.510 0.023 0.000 1.273 183 N CA -0.469 52.593 53.050 0.021 0.000 1.022 183 N CB 0.206 38.711 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 -1.690 53.139 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 0.115 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 -0.259 0.000 1.205 185 P CA -0.089 62.970 63.100 -0.067 0.000 0.771 185 P CB 0.584 32.263 31.700 -0.034 0.000 0.858 186 E N 3.494 123.365 120.200 -0.549 0.000 2.170 186 E HA -0.403 3.947 4.350 -0.001 0.000 0.229 186 E C 1.662 178.019 176.600 -0.406 0.000 1.074 186 E CA 2.187 58.050 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 0.037 120.348 120.400 -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 2.122 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 -0.424 119.761 120.200 -0.024 0.000 2.152 188 E HA -0.137 4.213 4.350 -0.001 0.000 0.192 188 E C 1.968 178.543 176.600 -0.041 0.000 0.983 188 E CA 0.744 57.139 56.400 -0.009 0.000 0.818 188 E CB -0.034 29.656 29.700 -0.017 0.000 0.758 188 E HN 0.408 nan 8.360 nan 0.000 0.467 189 A N 1.388 124.137 122.820 -0.117 0.000 1.877 189 A HA -0.150 4.169 4.320 -0.001 0.000 0.216 189 A C 2.467 179.987 177.584 -0.108 0.000 1.186 189 A CA 1.451 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 -0.112 119.677 119.914 -0.208 0.000 2.392 190 V HA -0.215 3.905 4.120 -0.001 0.000 0.249 190 V C 2.313 178.303 176.094 -0.174 0.000 1.059 190 V CA 3.242 65.373 62.300 -0.282 0.000 1.051 190 V CB -1.134 30.354 31.823 -0.558 0.000 0.658 190 V HN 0.604 nan 8.190 nan 0.000 0.455 191 T N 1.385 115.913 114.554 -0.043 0.000 2.595 191 T HA -0.204 4.146 4.350 -0.001 0.000 0.264 191 T C 1.832 176.528 174.700 -0.008 0.000 1.058 191 T CA 2.129 64.261 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 1.602 122.819 121.223 -0.010 0.000 2.064 192 L HA -0.099 4.240 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 2.381 57.204 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 -0.384 108.341 108.800 -0.125 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 0.935 45.935 45.100 -0.167 0.000 0.791 193 G HN 0.528 nan 8.290 nan 0.000 0.550 194 I N 0.343 120.826 120.570 -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 1.875 63.111 61.300 -0.108 0.000 1.392 194 I CB -0.109 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 0.848 121.177 120.400 -0.117 0.000 2.001 195 K HA -0.184 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 1.458 57.696 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 0.413 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 1.609 53.004 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 -0.329 120.752 121.223 -0.236 0.000 2.046 197 L HA -0.133 4.206 4.340 -0.001 0.000 0.208 197 L C 2.171 179.004 176.870 -0.061 0.000 1.077 197 L CA 2.530 57.297 54.840 -0.122 0.000 0.747 197 L CB -0.593 41.401 42.059 -0.109 0.000 0.896 197 L HN 0.419 nan 8.230 nan 0.000 0.432 198 K N -0.414 119.957 120.400 -0.048 0.000 1.965 198 K HA -0.227 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 2.340 58.629 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 0.580 116.335 115.700 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 60.485 58.200 0.144 0.000 1.159 199 S CB -1.243 62.149 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 59.623 58.200 0.054 0.000 1.207 200 S CB -0.850 62.365 63.200 0.025 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 1.086 177.963 176.870 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 40.522 42.059 -0.005 0.000 0.922 201 L HN 0.401 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 -0.299 119.913 120.200 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 1.072 109.879 108.800 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 45.633 45.100 0.010 0.000 1.041 204 G HN 0.279 nan 8.290 nan 0.000 0.539 205 E N 0.481 120.690 120.200 0.014 0.000 4.217 205 E HA -0.356 3.993 4.350 -0.001 0.000 0.199 205 E C 0.656 177.265 176.600 0.015 0.000 1.296 205 E CA 2.110 58.520 56.400 0.016 0.000 2.222 205 E CB -1.382 28.326 29.700 0.014 0.000 1.890 205 E HN 0.538 nan 8.360 nan 0.000 0.299 206 E N 0.346 120.554 120.200 0.012 0.000 2.415 206 E HA 0.076 4.426 4.350 -0.001 0.000 0.260 206 E C 0.977 177.583 176.600 0.010 0.000 1.016 206 E CA 0.390 56.797 56.400 0.012 0.000 0.924 206 E CB 0.257 29.963 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 0.028 4.367 4.340 -0.001 0.000 0.218 207 L C 0.758 177.632 176.870 0.005 0.000 1.130 207 L CA 1.236 56.081 54.840 0.008 0.000 0.826 207 L CB -0.807 41.258 42.059 0.011 0.000 0.941 207 L HN 0.760 nan 8.230 nan 0.000 0.451 208 K N -0.630 119.775 120.400 0.009 0.000 1.860 208 K HA -0.247 4.072 4.320 -0.001 0.000 0.320 208 K C -0.212 176.394 176.600 0.012 0.000 1.716 208 K CA 1.662 57.954 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 0.852 19.862 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 -0.226 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 0.523 4.872 4.350 -0.001 0.000 0.270 211 E C -1.194 175.348 176.600 -0.096 0.000 0.906 211 E CA -0.640 55.731 56.400 -0.049 0.000 0.761 211 E CB 0.605 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 2.799 123.295 120.570 -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 -0.266 0.000 1.038 212 I CB 1.708 39.406 38.000 -0.503 0.000 1.238 212 I HN 0.645 nan 8.210 nan 0.000 0.420 213 A N 4.523 127.233 122.820 -0.184 0.000 2.587 213 A HA 0.899 5.218 4.320 -0.001 0.000 0.293 213 A C -1.200 176.480 177.584 0.161 0.000 1.087 213 A CA -0.167 51.908 52.037 0.064 0.000 0.692 213 A CB 1.907 20.961 19.000 0.091 0.000 1.291 213 A HN 0.909 nan 8.150 nan 0.000 0.407 214 S N 0.049 115.966 115.700 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 1.199 64.590 63.200 0.318 0.000 1.126 214 S HN 1.750 nan 8.310 nan 0.000 0.464 215 I N 0.702 121.120 120.570 -0.253 0.000 2.894 215 I HA 0.750 4.920 4.170 -0.001 0.000 0.302 215 I C -1.351 174.637 176.117 -0.215 0.000 1.188 215 I CA -0.188 60.850 61.300 -0.436 0.000 1.014 215 I CB 2.342 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 4.896 119.370 114.554 -0.132 0.000 2.893 216 T HA 0.344 4.694 4.350 -0.001 0.000 0.293 216 T C -0.854 173.806 174.700 -0.066 0.000 1.027 216 T CA -0.356 61.705 62.100 -0.064 0.000 0.988 216 T CB 1.576 70.488 68.868 0.072 0.000 1.043 216 T HN 0.514 nan 8.240 nan 0.000 0.461 217 V N 4.957 124.837 119.914 -0.057 0.000 2.790 217 V HA 0.353 4.472 4.120 -0.001 0.000 0.304 217 V C 1.634 177.734 176.094 0.011 0.000 1.142 217 V CA 2.668 64.958 62.300 -0.017 0.000 1.282 217 V CB 0.277 32.091 31.823 -0.015 0.000 0.877 217 V HN 1.561 nan 8.190 nan 0.000 0.504 218 G N 4.450 113.275 108.800 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 45.452 45.100 0.051 0.000 0.622 218 G HN 1.428 nan 8.290 nan 0.000 0.507 219 N N -0.534 118.172 118.700 0.009 0.000 3.204 219 N HA 0.470 5.209 4.740 -0.001 0.000 0.285 219 N C -0.597 174.742 175.510 -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 39.311 38.487 -0.055 0.000 1.645 219 N HN 0.280 nan 8.380 nan 0.000 0.586 220 K N -0.612 119.553 120.400 -0.393 0.000 2.120 220 K HA 0.199 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 55.651 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 0.525 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 4.915 125.574 120.500 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 0.568 30.938 30.300 0.117 0.000 1.176 222 R HN 0.737 nan 8.270 nan 0.000 0.447 223 I N 5.137 125.825 120.570 0.197 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 -0.805 60.617 61.300 0.203 0.000 1.302 223 I CB 0.689 38.747 38.000 0.096 0.000 1.401 223 I HN 0.530 nan 8.210 nan 0.000 0.485 224 Y N 5.260 125.574 120.300 0.023 0.000 2.526 224 Y HA -0.011 4.538 4.550 -0.001 0.000 0.330 224 Y C 0.965 176.883 175.900 0.029 0.000 1.156 224 Y CA -0.830 57.285 58.100 0.025 0.000 1.419 224 Y CB 0.070 38.531 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 0.879 177.241 176.300 0.103 0.000 1.094 225 D CA -0.448 53.601 54.000 0.083 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 4.011 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 2.406 58.251 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 0.340 120.579 120.200 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 1.411 57.844 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 0.333 120.602 120.200 0.115 0.000 2.058 228 E HA -0.197 4.152 4.350 -0.001 0.000 0.194 228 E C 2.054 178.916 176.600 0.437 0.000 0.997 228 E CA 1.341 57.862 56.400 0.201 0.000 0.801 228 E CB -0.062 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 1.001 121.144 119.914 0.383 0.000 2.358 229 V HA -0.229 3.890 4.120 -0.001 0.000 0.246 229 V C 2.322 178.610 176.094 0.322 0.000 1.047 229 V CA 2.342 64.876 62.300 0.390 0.000 1.035 229 V CB -0.392 31.549 31.823 0.197 0.000 0.658 229 V HN 0.252 nan 8.190 nan 0.000 0.452 230 K N -0.118 120.394 120.400 0.186 0.000 2.281 230 K HA -0.255 4.065 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 1.797 58.151 56.287 0.111 0.000 0.938 230 K CB -0.200 32.340 32.500 0.066 0.000 0.737 230 K HN 0.550 nan 8.250 nan 0.000 0.458 231 K N -0.354 120.087 120.400 0.068 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 1.291 57.496 56.287 -0.136 0.000 0.938 231 K CB 0.009 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 0.598 120.570 119.950 0.036 0.000 2.569 232 F HA 0.101 4.627 4.527 -0.001 0.000 0.295 232 F C 1.078 176.885 175.800 0.011 0.000 1.115 232 F CA -0.504 57.510 58.000 0.023 0.000 1.450 232 F CB -0.197 38.820 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