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 3lqy_1_A DATA FIRST_RESID 0 DATA SEQUENCE GXTTENTTAL LLIDFQNDYF STYNGAKNPL VGTEAAAEQG AKLLAKFRQQ DATA SEQUENCE GLPVVHVRHE FXTDEAPFFL PGSDGAKIHP SVAAQEGEAV VLKHQINSFR DATA SEQUENCE DTDLKKVLDD AXIKKLVIVG AXTHXXIDAV TRAAEDLGYE CAVAHDACAT DATA SEQUENCE LDLEFNGITV PAAQVHAAFX SALSFAYANV ASADELIAG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 0 G HA2 0.000 nan 3.960 nan 0.000 0.244 0 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 0 G C 0.000 174.903 174.900 0.005 0.000 0.946 0 G CA 0.000 45.103 45.100 0.005 0.000 0.502 3 T N 0.248 114.810 114.554 0.013 0.000 2.928 3 T HA 0.427 4.777 4.350 -0.000 0.000 0.284 3 T C 0.842 175.550 174.700 0.013 0.000 1.008 3 T CA -0.552 61.555 62.100 0.011 0.000 1.057 3 T CB 1.051 69.926 68.868 0.013 0.000 1.018 3 T HN 0.611 nan 8.240 nan 0.000 0.493 4 E N 2.494 122.699 120.200 0.008 0.000 2.427 4 E HA 0.023 4.373 4.350 -0.000 0.000 0.196 4 E C 0.229 176.835 176.600 0.010 0.000 1.028 4 E CA 0.295 56.700 56.400 0.009 0.000 0.864 4 E CB -0.088 29.613 29.700 0.001 0.000 0.813 4 E HN 0.461 nan 8.360 nan 0.000 0.514 5 N N 1.332 120.037 118.700 0.008 0.000 3.303 5 N HA -0.007 4.732 4.740 -0.000 0.000 0.304 5 N C 0.204 175.738 175.510 0.040 0.000 1.302 5 N CA 0.205 53.260 53.050 0.008 0.000 1.213 5 N CB 0.074 38.559 38.487 -0.004 0.000 1.481 5 N HN 0.041 nan 8.380 nan 0.000 0.546 6 T N -3.866 110.721 114.554 0.056 0.000 3.214 6 T HA 0.166 4.516 4.350 -0.000 0.000 0.264 6 T C 0.416 175.185 174.700 0.116 0.000 1.012 6 T CA -0.407 61.743 62.100 0.083 0.000 0.901 6 T CB -0.159 68.755 68.868 0.076 0.000 1.070 6 T HN -0.081 nan 8.240 nan 0.000 0.561 7 T N 2.737 117.369 114.554 0.130 0.000 2.749 7 T HA 0.713 5.063 4.350 -0.000 0.000 0.287 7 T C -0.056 174.829 174.700 0.309 0.000 0.970 7 T CA -0.564 61.654 62.100 0.195 0.000 0.980 7 T CB 1.286 70.271 68.868 0.195 0.000 0.924 7 T HN 0.512 nan 8.240 nan 0.000 0.456 8 A N 3.227 126.166 122.820 0.198 0.000 2.305 8 A HA 0.735 5.054 4.320 -0.000 0.000 0.322 8 A C -0.376 177.116 177.584 -0.153 0.000 1.187 8 A CA -0.761 51.328 52.037 0.087 0.000 0.825 8 A CB 0.571 19.561 19.000 -0.016 0.000 1.164 8 A HN 0.784 nan 8.150 nan 0.000 0.498 9 L N 2.659 123.516 121.223 -0.610 0.000 2.290 9 L HA 0.596 4.935 4.340 -0.000 0.000 0.284 9 L C -0.916 175.667 176.870 -0.479 0.000 1.078 9 L CA -0.233 54.086 54.840 -0.868 0.000 0.815 9 L CB 0.953 42.073 42.059 -1.566 0.000 1.162 9 L HN 0.585 nan 8.230 nan 0.000 0.435 10 L N 6.377 127.393 121.223 -0.345 0.000 2.316 10 L HA 0.544 4.883 4.340 -0.000 0.000 0.280 10 L C -1.384 175.356 176.870 -0.218 0.000 1.006 10 L CA -0.229 54.448 54.840 -0.272 0.000 0.836 10 L CB 1.250 43.168 42.059 -0.234 0.000 1.221 10 L HN 0.539 nan 8.230 nan 0.000 0.418 11 L N 6.489 127.591 121.223 -0.203 0.000 2.265 11 L HA 0.475 4.815 4.340 -0.000 0.000 0.289 11 L C -0.394 176.437 176.870 -0.066 0.000 1.033 11 L CA -0.157 54.642 54.840 -0.069 0.000 0.814 11 L CB 1.202 43.293 42.059 0.054 0.000 1.203 11 L HN 0.368 nan 8.230 nan 0.000 0.423 12 I N 3.733 124.220 120.570 -0.139 0.000 2.306 12 I HA 0.209 4.379 4.170 -0.000 0.000 0.288 12 I C -0.162 175.873 176.117 -0.136 0.000 1.036 12 I CA -0.255 60.959 61.300 -0.142 0.000 1.221 12 I CB 0.579 38.480 38.000 -0.165 0.000 1.385 12 I HN 0.625 nan 8.210 nan 0.000 0.472 13 D N 4.749 125.130 120.400 -0.032 0.000 2.699 13 D HA -0.259 4.380 4.640 -0.000 0.000 0.239 13 D C -0.268 176.133 176.300 0.168 0.000 1.136 13 D CA 0.809 54.827 54.000 0.029 0.000 0.668 13 D CB -1.552 39.327 40.800 0.132 0.000 1.060 13 D HN 0.261 nan 8.370 nan 0.000 0.429 14 F N 1.286 121.354 119.950 0.196 0.000 2.661 14 F HA 0.181 4.708 4.527 -0.000 0.000 0.356 14 F C 1.342 177.356 175.800 0.356 0.000 1.244 14 F CA 0.118 58.318 58.000 0.334 0.000 1.290 14 F CB 0.109 39.283 39.000 0.290 0.000 1.677 14 F HN -0.075 nan 8.300 nan 0.000 0.649 15 Q N 0.513 120.592 119.800 0.466 0.000 2.266 15 Q HA 0.248 4.588 4.340 -0.000 0.000 0.261 15 Q C 1.084 177.302 176.000 0.363 0.000 0.985 15 Q CA -0.882 55.031 55.803 0.184 0.000 0.873 15 Q CB 1.254 29.788 28.738 -0.340 0.000 1.306 15 Q HN 0.226 nan 8.270 nan 0.000 0.447 16 N N 1.370 120.094 118.700 0.040 0.000 2.060 16 N HA -0.199 4.541 4.740 -0.000 0.000 0.195 16 N C 0.605 176.142 175.510 0.045 0.000 1.028 16 N CA 1.431 54.340 53.050 -0.236 0.000 0.861 16 N CB -0.053 37.789 38.487 -1.074 0.000 1.029 16 N HN 0.596 nan 8.380 nan 0.000 0.428 17 D N -0.279 120.235 120.400 0.190 0.000 2.315 17 D HA -0.159 4.481 4.640 -0.000 0.000 0.211 17 D C 1.138 177.614 176.300 0.293 0.000 0.977 17 D CA 0.704 54.859 54.000 0.258 0.000 0.894 17 D CB -0.144 40.760 40.800 0.174 0.000 0.910 17 D HN 0.381 nan 8.370 nan 0.000 0.490 18 Y N -0.933 119.575 120.300 0.347 0.000 2.523 18 Y HA 0.152 4.701 4.550 -0.001 0.000 0.279 18 Y C 0.448 176.376 175.900 0.047 0.000 1.139 18 Y CA -0.407 57.777 58.100 0.140 0.000 1.296 18 Y CB -0.362 38.166 38.460 0.114 0.000 1.045 18 Y HN -0.158 nan 8.280 nan 0.000 0.538 19 F N 0.067 120.152 119.950 0.225 0.000 2.404 19 F HA 0.188 4.715 4.527 -0.001 0.000 0.354 19 F C 1.545 177.443 175.800 0.163 0.000 1.122 19 F CA -0.563 57.519 58.000 0.137 0.000 1.080 19 F CB 1.336 40.385 39.000 0.081 0.000 1.131 19 F HN -0.173 nan 8.300 nan 0.000 0.471 20 S N -0.589 115.245 115.700 0.224 0.000 2.447 20 S HA -0.179 4.291 4.470 -0.000 0.000 0.233 20 S C 1.871 176.586 174.600 0.193 0.000 1.006 20 S CA 1.253 59.555 58.200 0.169 0.000 0.957 20 S CB -0.863 62.386 63.200 0.083 0.000 0.773 20 S HN 0.778 nan 8.310 nan 0.000 0.507 21 T N -2.261 112.442 114.554 0.248 0.000 3.113 21 T HA 0.041 4.391 4.350 -0.000 0.000 0.263 21 T C 0.288 175.148 174.700 0.266 0.000 1.143 21 T CA -0.055 62.178 62.100 0.223 0.000 1.090 21 T CB -0.759 68.244 68.868 0.224 0.000 0.922 21 T HN 0.499 nan 8.240 nan 0.000 0.521 22 Y N 2.873 123.291 120.300 0.197 0.000 2.350 22 Y HA 0.468 5.018 4.550 -0.000 0.000 0.340 22 Y C 0.111 176.078 175.900 0.111 0.000 1.006 22 Y CA -2.133 56.059 58.100 0.153 0.000 1.166 22 Y CB 0.339 38.917 38.460 0.197 0.000 1.168 22 Y HN -0.000 nan 8.280 nan 0.000 0.502 23 N N 4.340 122.771 118.700 -0.449 0.000 2.440 23 N HA 0.185 4.925 4.740 -0.000 0.000 0.265 23 N C 0.840 176.092 175.510 -0.430 0.000 1.239 23 N CA 1.610 54.446 53.050 -0.356 0.000 0.909 23 N CB 0.315 38.624 38.487 -0.296 0.000 1.066 23 N HN 1.018 nan 8.380 nan 0.000 0.474 24 G N 1.860 110.580 108.800 -0.133 0.000 2.143 24 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.249 24 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.249 24 G C 0.263 175.243 174.900 0.134 0.000 0.981 24 G CA 0.173 45.262 45.100 -0.019 0.000 0.665 24 G HN 1.002 nan 8.290 nan 0.000 0.528 25 A N -0.230 122.734 122.820 0.240 0.000 2.566 25 A HA 0.476 4.796 4.320 -0.000 0.000 0.245 25 A C 1.261 178.955 177.584 0.183 0.000 1.056 25 A CA 1.411 53.669 52.037 0.368 0.000 0.757 25 A CB 0.167 19.395 19.000 0.379 0.000 0.979 25 A HN 0.523 nan 8.150 nan 0.000 0.508 26 K N 0.862 121.352 120.400 0.150 0.000 2.393 26 K HA 0.041 4.361 4.320 -0.000 0.000 0.193 26 K C 0.239 176.800 176.600 -0.065 0.000 1.026 26 K CA 0.440 56.763 56.287 0.060 0.000 1.064 26 K CB 0.273 32.830 32.500 0.095 0.000 0.833 26 K HN 0.637 nan 8.250 nan 0.000 0.521 27 N N 0.669 119.306 118.700 -0.106 0.000 2.639 27 N HA 0.098 4.838 4.740 -0.000 0.000 0.265 27 N C -3.041 172.431 175.510 -0.064 0.000 1.689 27 N CA -1.653 51.234 53.050 -0.271 0.000 0.813 27 N CB 0.764 38.721 38.487 -0.882 0.000 1.353 27 N HN -0.150 nan 8.380 nan 0.000 0.510 28 P HA 0.104 nan 4.420 nan 0.000 0.268 28 P C -0.113 177.150 177.300 -0.063 0.000 1.204 28 P CA 0.089 63.208 63.100 0.031 0.000 0.768 28 P CB 1.270 32.995 31.700 0.042 0.000 0.842 29 L N 2.423 123.581 121.223 -0.108 0.000 2.335 29 L HA 0.486 4.826 4.340 -0.000 0.000 0.268 29 L C 0.364 177.139 176.870 -0.159 0.000 1.016 29 L CA -1.548 53.173 54.840 -0.197 0.000 0.805 29 L CB 1.188 43.044 42.059 -0.338 0.000 1.311 29 L HN 0.059 nan 8.230 nan 0.000 0.456 30 V N 0.884 120.700 119.914 -0.163 0.000 2.432 30 V HA 0.358 4.478 4.120 -0.000 0.000 0.271 30 V C 0.864 176.865 176.094 -0.155 0.000 1.046 30 V CA 0.617 62.837 62.300 -0.134 0.000 0.945 30 V CB 0.440 32.191 31.823 -0.120 0.000 0.992 30 V HN 1.042 nan 8.190 nan 0.000 0.471 31 G N 4.050 112.773 108.800 -0.129 0.000 2.147 31 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.244 31 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.244 31 G C 0.671 175.476 174.900 -0.157 0.000 1.005 31 G CA 0.508 45.532 45.100 -0.126 0.000 0.713 31 G HN 0.726 nan 8.290 nan 0.000 0.515 32 T N 0.120 114.533 114.554 -0.235 0.000 2.746 32 T HA -0.041 4.309 4.350 -0.000 0.000 0.267 32 T C 2.020 176.506 174.700 -0.357 0.000 1.039 32 T CA 1.914 63.775 62.100 -0.398 0.000 1.142 32 T CB -0.112 68.274 68.868 -0.803 0.000 0.866 32 T HN 0.489 nan 8.240 nan 0.000 0.444 33 E N 1.597 121.682 120.200 -0.193 0.000 2.051 33 E HA 0.004 4.354 4.350 -0.000 0.000 0.192 33 E C 2.483 179.079 176.600 -0.007 0.000 0.991 33 E CA 1.252 57.660 56.400 0.014 0.000 0.799 33 E CB -0.663 29.091 29.700 0.090 0.000 0.748 33 E HN 0.509 nan 8.360 nan 0.000 0.449 34 A N 1.002 123.805 122.820 -0.028 0.000 1.902 34 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 34 A C 2.388 179.958 177.584 -0.023 0.000 1.181 34 A CA 2.075 54.099 52.037 -0.022 0.000 0.623 34 A CB -0.995 17.989 19.000 -0.026 0.000 0.818 34 A HN 0.290 nan 8.150 nan 0.000 0.443 35 A N -0.106 122.702 122.820 -0.020 0.000 1.883 35 A HA 0.095 4.415 4.320 -0.000 0.000 0.217 35 A C 2.523 180.126 177.584 0.031 0.000 1.186 35 A CA 2.348 54.421 52.037 0.061 0.000 0.624 35 A CB -1.095 17.984 19.000 0.132 0.000 0.822 35 A HN 1.143 nan 8.150 nan 0.000 0.444 36 A N -0.671 122.046 122.820 -0.172 0.000 1.933 36 A HA -0.183 4.136 4.320 -0.000 0.000 0.218 36 A C 2.024 179.467 177.584 -0.235 0.000 1.175 36 A CA 1.753 53.462 52.037 -0.547 0.000 0.628 36 A CB -0.535 18.256 19.000 -0.347 0.000 0.814 36 A HN 0.676 nan 8.150 nan 0.000 0.444 37 E N -0.661 119.485 120.200 -0.090 0.000 2.085 37 E HA -0.252 4.097 4.350 -0.000 0.000 0.194 37 E C 2.066 178.644 176.600 -0.036 0.000 0.994 37 E CA 1.398 57.774 56.400 -0.040 0.000 0.801 37 E CB -0.073 29.621 29.700 -0.009 0.000 0.743 37 E HN 0.574 nan 8.360 nan 0.000 0.453 38 Q N -0.551 119.232 119.800 -0.028 0.000 2.079 38 Q HA -0.072 4.268 4.340 -0.000 0.000 0.200 38 Q C 2.226 178.225 176.000 -0.001 0.000 0.974 38 Q CA 1.350 57.148 55.803 -0.008 0.000 0.840 38 Q CB -0.768 27.969 28.738 -0.001 0.000 0.898 38 Q HN 0.400 nan 8.270 nan 0.000 0.430 39 G N 0.996 109.788 108.800 -0.013 0.000 2.440 39 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.218 39 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.218 39 G C 1.583 176.468 174.900 -0.024 0.000 1.154 39 G CA 1.355 46.460 45.100 0.009 0.000 0.767 39 G HN 0.461 nan 8.290 nan 0.000 0.552 40 A N 0.584 123.365 122.820 -0.065 0.000 1.902 40 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 40 A C 2.220 179.810 177.584 0.010 0.000 1.181 40 A CA 2.159 54.180 52.037 -0.027 0.000 0.623 40 A CB -0.450 18.530 19.000 -0.034 0.000 0.818 40 A HN 0.390 nan 8.150 nan 0.000 0.443 41 K N -0.597 119.809 120.400 0.010 0.000 2.020 41 K HA -0.127 4.192 4.320 -0.000 0.000 0.212 41 K C 1.900 178.536 176.600 0.059 0.000 1.050 41 K CA 1.709 58.014 56.287 0.029 0.000 0.929 41 K CB -0.340 32.173 32.500 0.021 0.000 0.714 41 K HN 0.472 nan 8.250 nan 0.000 0.443 42 L N 0.751 122.014 121.223 0.067 0.000 2.046 42 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 42 L C 2.406 179.374 176.870 0.163 0.000 1.077 42 L CA 0.868 55.785 54.840 0.129 0.000 0.747 42 L CB -0.295 41.812 42.059 0.081 0.000 0.896 42 L HN 0.291 nan 8.230 nan 0.000 0.432 43 L N -0.523 120.741 121.223 0.069 0.000 2.043 43 L HA -0.287 4.052 4.340 -0.000 0.000 0.212 43 L C 2.702 179.642 176.870 0.117 0.000 1.075 43 L CA 1.610 56.487 54.840 0.062 0.000 0.752 43 L CB -0.349 41.734 42.059 0.039 0.000 0.891 43 L HN 0.317 nan 8.230 nan 0.000 0.432 44 A N -0.520 122.356 122.820 0.093 0.000 1.898 44 A HA -0.245 4.075 4.320 -0.000 0.000 0.216 44 A C 2.206 179.846 177.584 0.093 0.000 1.181 44 A CA 1.762 53.846 52.037 0.078 0.000 0.620 44 A CB -0.383 18.647 19.000 0.050 0.000 0.819 44 A HN 0.276 nan 8.150 nan 0.000 0.442 45 K N -0.569 119.901 120.400 0.117 0.000 2.026 45 K HA -0.079 4.241 4.320 -0.000 0.000 0.208 45 K C 1.457 178.103 176.600 0.075 0.000 1.048 45 K CA 1.585 57.923 56.287 0.085 0.000 0.929 45 K CB -0.711 31.841 32.500 0.087 0.000 0.713 45 K HN 0.356 nan 8.250 nan 0.000 0.439 46 F N 0.765 120.716 119.950 0.000 0.000 2.102 46 F HA -0.091 4.438 4.527 0.002 0.000 0.298 46 F C 2.220 178.021 175.800 0.002 0.000 1.105 46 F CA 1.620 59.619 58.000 -0.002 0.000 1.239 46 F CB -0.187 38.807 39.000 -0.011 0.000 0.991 46 F HN 0.007 nan 8.300 nan 0.000 0.474 47 R N -0.364 120.247 120.500 0.184 0.000 2.092 47 R HA -0.178 4.162 4.340 -0.000 0.000 0.231 47 R C 2.231 178.565 176.300 0.056 0.000 1.119 47 R CA 1.230 57.394 56.100 0.106 0.000 0.970 47 R CB -0.580 29.774 30.300 0.089 0.000 0.864 47 R HN 0.348 nan 8.270 nan 0.000 0.440 48 Q N 0.498 120.325 119.800 0.044 0.000 2.135 48 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 48 Q C 0.391 176.386 176.000 -0.008 0.000 0.981 48 Q CA 1.286 57.098 55.803 0.015 0.000 0.856 48 Q CB 0.327 29.072 28.738 0.011 0.000 0.902 48 Q HN 0.259 nan 8.270 nan 0.000 0.425 49 Q N -1.569 118.211 119.800 -0.033 0.000 2.173 49 Q HA 0.226 4.565 4.340 -0.000 0.000 0.186 49 Q C 1.130 177.113 176.000 -0.029 0.000 1.018 49 Q CA 0.475 56.242 55.803 -0.060 0.000 1.064 49 Q CB -0.113 28.540 28.738 -0.141 0.000 1.130 49 Q HN 0.299 nan 8.270 nan 0.000 0.553 50 G N -0.249 108.531 108.800 -0.033 0.000 2.920 50 G HA2 0.144 4.104 3.960 -0.000 0.000 0.208 50 G HA3 0.144 4.104 3.960 -0.000 0.000 0.208 50 G C 0.215 175.129 174.900 0.023 0.000 1.159 50 G CA -0.041 45.059 45.100 -0.001 0.000 0.784 50 G HN 0.130 nan 8.290 nan 0.000 0.535 51 L N 0.955 122.184 121.223 0.010 0.000 2.467 51 L HA 0.313 4.653 4.340 -0.000 0.000 0.270 51 L C -1.937 175.069 176.870 0.225 0.000 1.205 51 L CA -1.774 53.120 54.840 0.089 0.000 0.828 51 L CB 0.421 42.425 42.059 -0.092 0.000 1.101 51 L HN -0.123 nan 8.230 nan 0.000 0.479 52 P HA 0.124 nan 4.420 nan 0.000 0.268 52 P C -1.121 176.251 177.300 0.120 0.000 1.204 52 P CA -0.016 63.172 63.100 0.146 0.000 0.768 52 P CB 0.587 32.352 31.700 0.108 0.000 0.842 53 V N 4.700 124.618 119.914 0.006 0.000 2.483 53 V HA 0.352 4.471 4.120 -0.000 0.000 0.297 53 V C -0.109 175.867 176.094 -0.196 0.000 1.027 53 V CA -0.561 61.644 62.300 -0.158 0.000 0.855 53 V CB 2.214 33.963 31.823 -0.125 0.000 0.995 53 V HN 0.204 nan 8.190 nan 0.000 0.424 54 V N 4.405 124.139 119.914 -0.299 0.000 2.604 54 V HA 0.568 4.687 4.120 -0.000 0.000 0.305 54 V C -0.570 175.304 176.094 -0.367 0.000 1.043 54 V CA -0.712 61.444 62.300 -0.239 0.000 0.888 54 V CB 1.980 33.706 31.823 -0.161 0.000 0.995 54 V HN 0.838 nan 8.190 nan 0.000 0.429 55 H N 2.315 121.331 119.070 -0.091 0.000 2.499 55 H HA 0.745 5.300 4.556 -0.001 0.000 0.340 55 H C -1.074 174.186 175.328 -0.113 0.000 1.148 55 H CA -0.560 55.439 56.048 -0.083 0.000 1.215 55 H CB 2.618 32.347 29.762 -0.055 0.000 1.529 55 H HN 0.386 nan 8.280 nan 0.000 0.510 56 V N 2.511 122.426 119.914 0.002 0.000 2.656 56 V HA 0.423 4.543 4.120 -0.000 0.000 0.307 56 V C -0.087 175.961 176.094 -0.076 0.000 1.051 56 V CA -0.755 61.496 62.300 -0.081 0.000 0.893 56 V CB 2.608 34.347 31.823 -0.139 0.000 0.999 56 V HN 0.675 nan 8.190 nan 0.000 0.426 57 R N 1.383 121.804 120.500 -0.132 0.000 2.621 57 R HA 0.555 4.895 4.340 -0.000 0.000 0.284 57 R C -1.573 174.588 176.300 -0.232 0.000 0.998 57 R CA -0.791 55.197 56.100 -0.186 0.000 0.895 57 R CB 1.946 32.136 30.300 -0.183 0.000 1.195 57 R HN 0.938 nan 8.270 nan 0.000 0.450 58 H N 1.407 120.238 119.070 -0.398 0.000 2.457 58 H HA 0.377 4.933 4.556 -0.001 0.000 0.335 58 H C -1.100 174.062 175.328 -0.277 0.000 1.115 58 H CA -0.247 55.605 56.048 -0.326 0.000 1.219 58 H CB 1.355 31.013 29.762 -0.172 0.000 1.471 58 H HN 0.472 nan 8.280 nan 0.000 0.491 59 E N 3.829 123.787 120.200 -0.405 0.000 2.272 59 E HA 0.175 4.525 4.350 -0.000 0.000 0.269 59 E C -0.792 175.813 176.600 0.008 0.000 0.877 59 E CA -0.774 55.621 56.400 -0.009 0.000 0.755 59 E CB 1.880 31.603 29.700 0.038 0.000 1.192 59 E HN 0.367 nan 8.360 nan 0.000 0.422 63 D N 1.759 122.169 120.400 0.017 0.000 2.347 63 D HA 0.145 4.785 4.640 -0.000 0.000 0.215 63 D C 1.112 177.408 176.300 -0.006 0.000 0.976 63 D CA 0.801 54.807 54.000 0.011 0.000 0.884 63 D CB -0.075 40.731 40.800 0.009 0.000 0.915 63 D HN 0.641 nan 8.370 nan 0.000 0.526 64 E N -0.592 119.600 120.200 -0.014 0.000 2.501 64 E HA 0.469 4.818 4.350 -0.000 0.000 0.200 64 E C 0.866 177.420 176.600 -0.075 0.000 1.016 64 E CA 0.104 56.486 56.400 -0.030 0.000 0.921 64 E CB 0.924 30.616 29.700 -0.014 0.000 1.034 64 E HN 0.594 nan 8.360 nan 0.000 0.468 65 A N 2.051 124.798 122.820 -0.121 0.000 2.547 65 A HA 0.045 4.365 4.320 -0.000 0.000 0.233 65 A C -1.117 176.241 177.584 -0.378 0.000 1.067 65 A CA -0.656 51.165 52.037 -0.360 0.000 0.763 65 A CB 0.071 18.805 19.000 -0.443 0.000 1.007 65 A HN 0.061 nan 8.150 nan 0.000 0.506 66 P HA 0.066 nan 4.420 nan 0.000 0.220 66 P C -0.040 177.245 177.300 -0.026 0.000 1.152 66 P CA 1.235 64.225 63.100 -0.185 0.000 0.812 66 P CB -0.110 31.569 31.700 -0.037 0.000 0.792 67 F N -5.218 114.442 119.950 -0.483 0.000 2.779 67 F HA 0.550 5.076 4.527 -0.001 0.000 0.316 67 F C -0.978 174.752 175.800 -0.116 0.000 1.164 67 F CA -2.094 55.718 58.000 -0.313 0.000 0.924 67 F CB -0.233 38.506 39.000 -0.435 0.000 1.348 67 F HN -0.368 nan 8.300 nan 0.000 0.467 68 F N 0.345 120.340 119.950 0.075 0.000 2.943 68 F HA -0.177 4.350 4.527 0.000 0.000 0.258 68 F C -0.299 175.558 175.800 0.095 0.000 0.995 68 F CA -0.579 57.469 58.000 0.079 0.000 0.896 68 F CB -2.143 36.935 39.000 0.131 0.000 0.821 68 F HN 0.467 nan 8.300 nan 0.000 0.828 69 L N 3.305 124.652 121.223 0.208 0.000 2.485 69 L HA 0.246 4.585 4.340 -0.000 0.000 0.275 69 L C -1.411 175.538 176.870 0.131 0.000 1.207 69 L CA -1.133 53.781 54.840 0.123 0.000 0.855 69 L CB -0.009 42.094 42.059 0.073 0.000 1.114 69 L HN -0.054 nan 8.230 nan 0.000 0.485 70 P HA 0.125 nan 4.420 nan 0.000 0.271 70 P C 0.674 178.003 177.300 0.048 0.000 1.220 70 P CA 0.413 63.560 63.100 0.077 0.000 0.768 70 P CB 1.089 32.826 31.700 0.062 0.000 0.848 71 G N 2.370 111.190 108.800 0.033 0.000 2.179 71 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.260 71 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.260 71 G C 0.325 175.243 174.900 0.029 0.000 0.977 71 G CA 0.405 45.517 45.100 0.021 0.000 0.641 71 G HN 0.869 nan 8.290 nan 0.000 0.533 72 S N -0.097 115.634 115.700 0.050 0.000 2.617 72 S HA 0.531 5.000 4.470 -0.000 0.000 0.269 72 S C 0.920 175.559 174.600 0.065 0.000 1.292 72 S CA 0.245 58.487 58.200 0.070 0.000 1.010 72 S CB 1.574 64.836 63.200 0.103 0.000 0.944 72 S HN 0.043 nan 8.310 nan 0.000 0.536 73 D N 1.927 122.381 120.400 0.090 0.000 2.218 73 D HA 0.017 4.657 4.640 -0.000 0.000 0.204 73 D C 1.985 178.324 176.300 0.064 0.000 0.976 73 D CA 1.420 55.475 54.000 0.092 0.000 0.853 73 D CB -0.849 40.051 40.800 0.168 0.000 0.939 73 D HN 0.800 nan 8.370 nan 0.000 0.481 74 G N 0.497 109.381 108.800 0.141 0.000 2.471 74 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.219 74 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.219 74 G C 1.432 176.417 174.900 0.142 0.000 1.125 74 G CA 0.697 45.874 45.100 0.129 0.000 0.775 74 G HN 0.371 nan 8.290 nan 0.000 0.548 75 A N -0.328 122.554 122.820 0.102 0.000 2.275 75 A HA 0.376 4.696 4.320 -0.000 0.000 0.212 75 A C 1.095 178.572 177.584 -0.178 0.000 1.201 75 A CA -0.090 51.913 52.037 -0.055 0.000 0.843 75 A CB 0.081 19.076 19.000 -0.008 0.000 0.873 75 A HN 0.301 nan 8.150 nan 0.000 0.492 76 K N 0.202 120.529 120.400 -0.121 0.000 2.237 76 K HA 0.417 4.737 4.320 -0.000 0.000 0.270 76 K C -0.479 176.038 176.600 -0.139 0.000 1.015 76 K CA -0.313 55.895 56.287 -0.131 0.000 0.949 76 K CB 1.049 33.484 32.500 -0.107 0.000 0.976 76 K HN 0.291 nan 8.250 nan 0.000 0.472 77 I N 2.796 123.297 120.570 -0.116 0.000 2.710 77 I HA -0.100 4.070 4.170 -0.000 0.000 0.286 77 I C 1.208 177.280 176.117 -0.074 0.000 1.181 77 I CA 0.146 61.417 61.300 -0.048 0.000 1.430 77 I CB 0.095 38.057 38.000 -0.062 0.000 1.367 77 I HN 0.524 nan 8.210 nan 0.000 0.577 78 H N 8.736 127.717 119.070 -0.147 0.000 2.897 78 H HA 0.051 4.607 4.556 -0.001 0.000 0.347 78 H C -1.759 173.433 175.328 -0.225 0.000 1.068 78 H CA -1.121 54.727 56.048 -0.333 0.000 1.426 78 H CB 1.501 30.847 29.762 -0.695 0.000 1.410 78 H HN 0.337 nan 8.280 nan 0.000 0.597 79 P HA -0.143 nan 4.420 nan 0.000 0.222 79 P C 1.499 178.706 177.300 -0.156 0.000 1.147 79 P CA 1.461 64.372 63.100 -0.315 0.000 0.790 79 P CB 0.060 31.556 31.700 -0.340 0.000 0.780 80 S N -0.651 115.024 115.700 -0.042 0.000 2.442 80 S HA -0.088 4.382 4.470 -0.000 0.000 0.236 80 S C 1.292 175.895 174.600 0.005 0.000 1.007 80 S CA 1.365 59.599 58.200 0.056 0.000 0.965 80 S CB -1.335 61.975 63.200 0.184 0.000 0.773 80 S HN 0.153 nan 8.310 nan 0.000 0.504 81 V N -2.193 117.725 119.914 0.007 0.000 2.925 81 V HA 0.796 4.916 4.120 -0.000 0.000 0.361 81 V C 0.337 176.461 176.094 0.049 0.000 1.361 81 V CA -0.854 61.458 62.300 0.019 0.000 1.184 81 V CB -0.738 31.070 31.823 -0.025 0.000 1.245 81 V HN 0.527 nan 8.190 nan 0.000 0.575 82 A N 1.127 123.933 122.820 -0.023 0.000 2.483 82 A HA 0.767 5.087 4.320 -0.000 0.000 0.238 82 A C 0.952 178.459 177.584 -0.129 0.000 1.070 82 A CA 0.607 52.588 52.037 -0.093 0.000 0.770 82 A CB 0.338 19.275 19.000 -0.105 0.000 1.008 82 A HN 1.623 nan 8.150 nan 0.000 0.497 83 A N 1.389 124.003 122.820 -0.344 0.000 2.346 83 A HA 0.521 4.841 4.320 -0.000 0.000 0.252 83 A C 0.364 177.865 177.584 -0.140 0.000 1.089 83 A CA 0.009 51.780 52.037 -0.444 0.000 0.797 83 A CB 0.214 18.774 19.000 -0.734 0.000 1.047 83 A HN 0.897 nan 8.150 nan 0.000 0.494 84 Q N -0.328 119.451 119.800 -0.034 0.000 2.445 84 Q HA 0.309 4.648 4.340 -0.000 0.000 0.281 84 Q C -0.534 175.465 176.000 -0.001 0.000 1.101 84 Q CA -0.952 54.848 55.803 -0.006 0.000 0.833 84 Q CB 1.518 30.274 28.738 0.029 0.000 1.416 84 Q HN 0.815 nan 8.270 nan 0.000 0.451 85 E N -0.136 120.062 120.200 -0.003 0.000 2.413 85 E HA 0.062 4.411 4.350 -0.000 0.000 0.263 85 E C 0.375 176.985 176.600 0.016 0.000 1.015 85 E CA 1.513 57.913 56.400 -0.000 0.000 0.916 85 E CB 0.620 30.318 29.700 -0.003 0.000 0.947 85 E HN 0.797 nan 8.360 nan 0.000 0.440 86 G N 4.428 113.239 108.800 0.017 0.000 2.308 86 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.221 86 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.221 86 G C -0.170 174.753 174.900 0.039 0.000 1.032 86 G CA 0.234 45.349 45.100 0.026 0.000 0.623 86 G HN 0.555 nan 8.290 nan 0.000 0.506 87 E N 1.689 121.925 120.200 0.060 0.000 2.152 87 E HA 0.579 4.929 4.350 -0.000 0.000 0.285 87 E C 0.612 177.278 176.600 0.110 0.000 1.043 87 E CA 0.060 56.524 56.400 0.106 0.000 0.839 87 E CB 1.374 31.199 29.700 0.207 0.000 1.069 87 E HN 0.693 nan 8.360 nan 0.000 0.399 88 A N 3.170 126.035 122.820 0.075 0.000 2.445 88 A HA 0.230 4.550 4.320 -0.000 0.000 0.242 88 A C -0.039 177.591 177.584 0.076 0.000 1.075 88 A CA -0.322 51.741 52.037 0.043 0.000 0.777 88 A CB 0.545 19.549 19.000 0.008 0.000 1.013 88 A HN 0.438 nan 8.150 nan 0.000 0.493 89 V N 3.586 123.512 119.914 0.019 0.000 2.407 89 V HA 0.321 4.441 4.120 -0.000 0.000 0.291 89 V C -0.286 175.779 176.094 -0.048 0.000 1.018 89 V CA -0.494 61.806 62.300 0.002 0.000 0.842 89 V CB 1.474 33.263 31.823 -0.057 0.000 0.996 89 V HN 0.643 nan 8.190 nan 0.000 0.426 90 V N 6.177 126.049 119.914 -0.070 0.000 2.407 90 V HA 0.394 4.514 4.120 -0.000 0.000 0.278 90 V C -0.124 175.874 176.094 -0.160 0.000 1.037 90 V CA -0.555 61.675 62.300 -0.116 0.000 0.900 90 V CB 1.548 33.285 31.823 -0.144 0.000 0.983 90 V HN 0.647 nan 8.190 nan 0.000 0.459 91 L N 6.908 128.017 121.223 -0.190 0.000 2.276 91 L HA 0.582 4.921 4.340 -0.000 0.000 0.286 91 L C -0.038 176.569 176.870 -0.440 0.000 1.061 91 L CA 0.039 54.708 54.840 -0.286 0.000 0.807 91 L CB 0.747 42.665 42.059 -0.235 0.000 1.177 91 L HN 0.829 nan 8.230 nan 0.000 0.429 92 K N 2.931 122.992 120.400 -0.565 0.000 2.395 92 K HA 0.537 4.856 4.320 -0.000 0.000 0.247 92 K C -0.701 175.270 176.600 -1.048 0.000 0.973 92 K CA -0.719 55.186 56.287 -0.636 0.000 0.828 92 K CB 1.575 33.887 32.500 -0.312 0.000 1.272 92 K HN 0.622 nan 8.250 nan 0.000 0.439 93 H N -0.345 118.475 119.070 -0.416 0.000 3.233 93 H HA 0.235 4.791 4.556 -0.000 0.000 0.263 93 H C -0.319 174.863 175.328 -0.244 0.000 1.168 93 H CA -0.253 55.470 56.048 -0.541 0.000 1.159 93 H CB 1.088 30.665 29.762 -0.309 0.000 1.593 93 H HN 0.478 nan 8.280 nan 0.000 0.580 94 Q N -0.013 119.782 119.800 -0.009 0.000 2.445 94 Q HA 0.347 4.686 4.340 -0.000 0.000 0.281 94 Q C 1.451 177.507 176.000 0.093 0.000 1.101 94 Q CA -0.747 55.091 55.803 0.058 0.000 0.833 94 Q CB 2.469 31.221 28.738 0.023 0.000 1.416 94 Q HN 0.078 nan 8.270 nan 0.000 0.451 95 I N 0.351 120.939 120.570 0.030 0.000 2.163 95 I HA -0.199 3.971 4.170 -0.000 0.000 0.240 95 I C 1.111 177.223 176.117 -0.008 0.000 1.081 95 I CA 0.782 62.075 61.300 -0.011 0.000 1.353 95 I CB -0.158 37.822 38.000 -0.033 0.000 1.054 95 I HN 0.478 nan 8.210 nan 0.000 0.407 96 N N 1.028 119.733 118.700 0.010 0.000 2.452 96 N HA -0.017 4.723 4.740 -0.000 0.000 0.266 96 N C 0.717 176.230 175.510 0.005 0.000 1.209 96 N CA 0.530 53.598 53.050 0.030 0.000 0.929 96 N CB 1.114 39.646 38.487 0.075 0.000 1.063 96 N HN -0.009 nan 8.380 nan 0.000 0.472 97 S N 2.905 118.564 115.700 -0.067 0.000 2.515 97 S HA 0.024 4.493 4.470 -0.000 0.000 0.231 97 S C 1.016 175.438 174.600 -0.296 0.000 0.987 97 S CA 0.463 58.538 58.200 -0.209 0.000 0.936 97 S CB -0.223 62.785 63.200 -0.320 0.000 0.766 97 S HN 0.606 nan 8.310 nan 0.000 0.528 98 F N 1.222 121.147 119.950 -0.041 0.000 2.743 98 F HA 0.241 4.768 4.527 -0.001 0.000 0.297 98 F C 1.260 177.048 175.800 -0.018 0.000 1.131 98 F CA -0.062 57.923 58.000 -0.025 0.000 1.426 98 F CB 0.064 39.063 39.000 -0.001 0.000 1.116 98 F HN -0.075 nan 8.300 nan 0.000 0.583 99 R N 1.495 122.072 120.500 0.127 0.000 2.248 99 R HA 0.024 4.364 4.340 -0.000 0.000 0.328 99 R C -0.153 176.169 176.300 0.037 0.000 1.067 99 R CA 0.163 56.312 56.100 0.081 0.000 0.924 99 R CB -0.126 30.211 30.300 0.061 0.000 1.013 99 R HN 0.170 nan 8.270 nan 0.000 0.454 100 D N 1.426 121.852 120.400 0.043 0.000 2.983 100 D HA -0.196 4.444 4.640 -0.000 0.000 0.225 100 D C -0.052 176.252 176.300 0.007 0.000 1.174 100 D CA 1.937 55.954 54.000 0.029 0.000 0.831 100 D CB -0.943 39.877 40.800 0.034 0.000 1.104 100 D HN 0.749 nan 8.370 nan 0.000 0.421 101 T N -3.625 110.926 114.554 -0.005 0.000 2.905 101 T HA 0.506 4.856 4.350 -0.000 0.000 0.283 101 T C 0.474 175.166 174.700 -0.013 0.000 1.031 101 T CA -0.727 61.346 62.100 -0.046 0.000 1.002 101 T CB 2.042 70.844 68.868 -0.110 0.000 1.200 101 T HN -0.294 nan 8.240 nan 0.000 0.560 102 D N 0.134 120.513 120.400 -0.034 0.000 2.342 102 D HA 0.145 4.785 4.640 -0.000 0.000 0.221 102 D C 1.628 177.921 176.300 -0.012 0.000 1.101 102 D CA -0.167 53.827 54.000 -0.009 0.000 0.837 102 D CB 0.155 40.944 40.800 -0.020 0.000 0.938 102 D HN 0.329 nan 8.370 nan 0.000 0.508 103 L N 1.168 122.358 121.223 -0.056 0.000 2.012 103 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 103 L C 2.036 178.918 176.870 0.019 0.000 1.073 103 L CA 1.884 56.645 54.840 -0.131 0.000 0.748 103 L CB -0.241 41.563 42.059 -0.424 0.000 0.891 103 L HN -0.145 nan 8.230 nan 0.000 0.431 104 K N -0.468 120.059 120.400 0.212 0.000 1.985 104 K HA -0.239 4.080 4.320 -0.000 0.000 0.210 104 K C 2.303 179.014 176.600 0.184 0.000 1.047 104 K CA 2.288 58.773 56.287 0.330 0.000 0.932 104 K CB -0.250 32.451 32.500 0.335 0.000 0.716 104 K HN 0.324 nan 8.250 nan 0.000 0.439 105 K N 0.633 121.105 120.400 0.120 0.000 2.089 105 K HA -0.153 4.167 4.320 -0.000 0.000 0.210 105 K C 2.096 178.735 176.600 0.065 0.000 1.048 105 K CA 2.127 58.461 56.287 0.079 0.000 0.926 105 K CB -1.396 31.135 32.500 0.052 0.000 0.714 105 K HN 0.143 nan 8.250 nan 0.000 0.448 106 V N 1.166 121.108 119.914 0.046 0.000 2.255 106 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 106 V C 2.591 178.711 176.094 0.043 0.000 1.051 106 V CA 2.099 64.415 62.300 0.026 0.000 1.018 106 V CB -0.426 31.390 31.823 -0.012 0.000 0.641 106 V HN 0.556 nan 8.190 nan 0.000 0.445 107 L N -0.279 120.981 121.223 0.062 0.000 2.046 107 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 107 L C 2.282 179.239 176.870 0.144 0.000 1.077 107 L CA 1.629 56.525 54.840 0.093 0.000 0.747 107 L CB -0.777 41.346 42.059 0.106 0.000 0.896 107 L HN 0.329 nan 8.230 nan 0.000 0.432 108 D N -0.241 120.254 120.400 0.160 0.000 2.310 108 D HA -0.143 4.497 4.640 -0.000 0.000 0.212 108 D C 1.583 177.933 176.300 0.082 0.000 0.965 108 D CA 0.862 54.939 54.000 0.129 0.000 0.879 108 D CB -0.089 40.778 40.800 0.111 0.000 0.921 108 D HN 0.323 nan 8.370 nan 0.000 0.510 109 D N -0.071 120.370 120.400 0.069 0.000 2.271 109 D HA 0.083 4.723 4.640 -0.000 0.000 0.206 109 D C 0.988 177.317 176.300 0.048 0.000 0.967 109 D CA 0.297 54.326 54.000 0.049 0.000 0.867 109 D CB 0.091 40.914 40.800 0.038 0.000 0.960 109 D HN 0.084 nan 8.370 nan 0.000 0.509 113 K N 2.853 123.387 120.400 0.223 0.000 2.424 113 K HA 0.340 4.660 4.320 -0.000 0.000 0.198 113 K C 0.127 176.900 176.600 0.288 0.000 1.190 113 K CA 0.572 56.979 56.287 0.200 0.000 0.935 113 K CB 1.066 33.627 32.500 0.101 0.000 1.087 113 K HN 0.516 nan 8.250 nan 0.000 0.524 114 K N 0.418 120.967 120.400 0.248 0.000 2.444 114 K HA 0.611 4.931 4.320 -0.000 0.000 0.252 114 K C -0.784 175.906 176.600 0.151 0.000 0.993 114 K CA -0.698 55.713 56.287 0.207 0.000 0.847 114 K CB 2.399 34.985 32.500 0.143 0.000 1.340 114 K HN -0.198 nan 8.250 nan 0.000 0.446 115 L N 0.931 122.216 121.223 0.103 0.000 2.422 115 L HA 0.545 4.885 4.340 -0.000 0.000 0.264 115 L C -1.195 175.692 176.870 0.029 0.000 0.984 115 L CA -1.268 53.583 54.840 0.018 0.000 0.819 115 L CB 2.284 44.305 42.059 -0.062 0.000 1.330 115 L HN 0.266 nan 8.230 nan 0.000 0.410 116 V N 3.706 123.610 119.914 -0.017 0.000 2.409 116 V HA 0.477 4.597 4.120 -0.000 0.000 0.291 116 V C -0.164 175.867 176.094 -0.104 0.000 1.020 116 V CA -0.260 62.026 62.300 -0.023 0.000 0.848 116 V CB 1.915 33.756 31.823 0.031 0.000 0.990 116 V HN 0.477 nan 8.190 nan 0.000 0.430 117 I N 6.139 126.669 120.570 -0.067 0.000 2.377 117 I HA 0.686 4.856 4.170 -0.000 0.000 0.293 117 I C -0.264 175.814 176.117 -0.065 0.000 0.987 117 I CA -0.609 60.639 61.300 -0.086 0.000 1.185 117 I CB 1.893 39.850 38.000 -0.070 0.000 1.341 117 I HN 0.544 nan 8.210 nan 0.000 0.455 118 V N 2.804 122.672 119.914 -0.077 0.000 3.130 118 V HA 1.100 5.220 4.120 -0.000 0.000 0.310 118 V C -0.116 175.862 176.094 -0.193 0.000 1.158 118 V CA 0.130 62.410 62.300 -0.034 0.000 1.029 118 V CB 1.371 33.261 31.823 0.112 0.000 1.057 118 V HN 1.054 nan 8.190 nan 0.000 0.436 119 G N 0.529 109.071 108.800 -0.431 0.000 2.255 119 G HA2 0.594 4.553 3.960 -0.000 0.000 0.216 119 G HA3 0.594 4.553 3.960 -0.000 0.000 0.216 119 G C -0.346 174.165 174.900 -0.648 0.000 1.307 119 G CA 0.008 44.492 45.100 -1.026 0.000 1.162 119 G HN 2.598 nan 8.290 nan 0.000 0.494 127 D N 2.220 122.543 120.400 -0.129 0.000 2.092 127 D HA -0.099 4.541 4.640 -0.000 0.000 0.193 127 D C 2.090 178.337 176.300 -0.088 0.000 0.994 127 D CA 2.303 56.269 54.000 -0.057 0.000 0.828 127 D CB 0.315 41.145 40.800 0.049 0.000 0.963 127 D HN 0.364 nan 8.370 nan 0.000 0.450 128 A N -0.105 122.668 122.820 -0.080 0.000 1.877 128 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 128 A C 2.522 180.102 177.584 -0.008 0.000 1.186 128 A CA 1.768 53.779 52.037 -0.045 0.000 0.620 128 A CB -1.111 17.868 19.000 -0.034 0.000 0.822 128 A HN 0.266 nan 8.150 nan 0.000 0.443 129 V N -0.294 119.613 119.914 -0.012 0.000 2.453 129 V HA -0.158 3.962 4.120 -0.000 0.000 0.247 129 V C 2.544 178.687 176.094 0.082 0.000 1.048 129 V CA 2.822 65.160 62.300 0.063 0.000 1.049 129 V CB -0.779 31.014 31.823 -0.050 0.000 0.672 129 V HN 0.648 nan 8.190 nan 0.000 0.457 130 T N 0.103 114.646 114.554 -0.018 0.000 2.737 130 T HA -0.161 4.189 4.350 -0.000 0.000 0.265 130 T C 1.980 176.639 174.700 -0.068 0.000 1.038 130 T CA 1.705 63.788 62.100 -0.028 0.000 1.144 130 T CB -0.242 68.585 68.868 -0.068 0.000 0.866 130 T HN 0.477 nan 8.240 nan 0.000 0.434 131 R N 0.926 121.285 120.500 -0.236 0.000 2.092 131 R HA 0.127 4.467 4.340 -0.000 0.000 0.231 131 R C 2.835 179.113 176.300 -0.036 0.000 1.119 131 R CA 1.109 56.989 56.100 -0.366 0.000 0.970 131 R CB -0.422 29.556 30.300 -0.538 0.000 0.864 131 R HN 0.351 nan 8.270 nan 0.000 0.440 132 A N 1.385 124.208 122.820 0.006 0.000 1.898 132 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 132 A C 2.366 179.908 177.584 -0.070 0.000 1.181 132 A CA 1.632 53.669 52.037 0.001 0.000 0.620 132 A CB -0.554 18.505 19.000 0.099 0.000 0.819 132 A HN 0.377 nan 8.150 nan 0.000 0.442 133 A N -0.632 122.240 122.820 0.087 0.000 1.873 133 A HA -0.157 4.163 4.320 -0.000 0.000 0.215 133 A C 2.091 179.818 177.584 0.238 0.000 1.186 133 A CA 1.761 53.910 52.037 0.186 0.000 0.616 133 A CB -0.509 18.656 19.000 0.276 0.000 0.823 133 A HN 0.471 nan 8.150 nan 0.000 0.442 134 E N 0.501 120.820 120.200 0.198 0.000 2.085 134 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 134 E C 1.292 177.970 176.600 0.131 0.000 0.994 134 E CA 1.639 58.160 56.400 0.202 0.000 0.801 134 E CB -0.366 29.517 29.700 0.305 0.000 0.743 134 E HN 0.517 nan 8.360 nan 0.000 0.453 135 D N 0.256 120.729 120.400 0.121 0.000 2.218 135 D HA -0.118 4.522 4.640 -0.000 0.000 0.204 135 D C 1.999 178.285 176.300 -0.024 0.000 0.976 135 D CA 0.529 54.560 54.000 0.052 0.000 0.853 135 D CB -0.139 40.693 40.800 0.054 0.000 0.939 135 D HN 0.257 nan 8.370 nan 0.000 0.481 136 L N -0.979 120.208 121.223 -0.060 0.000 2.395 136 L HA 0.111 4.451 4.340 -0.000 0.000 0.218 136 L C 1.644 178.393 176.870 -0.202 0.000 1.130 136 L CA 0.771 55.527 54.840 -0.140 0.000 0.826 136 L CB 0.121 42.064 42.059 -0.192 0.000 0.941 136 L HN 0.200 nan 8.230 nan 0.000 0.451 137 G N -2.105 106.607 108.800 -0.146 0.000 2.205 137 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.180 137 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.180 137 G C -0.092 174.681 174.900 -0.211 0.000 1.004 137 G CA -0.691 44.293 45.100 -0.194 0.000 0.670 137 G HN 0.136 nan 8.290 nan 0.000 0.496 138 Y N 1.812 122.122 120.300 0.017 0.000 2.346 138 Y HA 0.488 5.037 4.550 -0.001 0.000 0.330 138 Y C 1.031 176.960 175.900 0.049 0.000 1.178 138 Y CA -0.242 57.884 58.100 0.043 0.000 1.331 138 Y CB 0.561 39.064 38.460 0.071 0.000 1.253 138 Y HN 0.163 nan 8.280 nan 0.000 0.529 139 E N 2.130 122.448 120.200 0.198 0.000 2.259 139 E HA 0.295 4.645 4.350 -0.000 0.000 0.281 139 E C -1.037 175.652 176.600 0.148 0.000 1.037 139 E CA -0.375 56.108 56.400 0.139 0.000 0.854 139 E CB 0.560 30.320 29.700 0.100 0.000 1.051 139 E HN 0.479 nan 8.360 nan 0.000 0.409 140 C N 2.773 122.147 119.300 0.123 0.000 2.435 140 C HA 0.826 5.286 4.460 -0.000 0.000 0.333 140 C C 0.253 175.280 174.990 0.062 0.000 1.202 140 C CA -0.478 58.598 59.018 0.097 0.000 1.830 140 C CB 0.794 28.597 27.740 0.104 0.000 2.326 140 C HN 0.835 nan 8.230 nan 0.000 0.507 141 A N 1.876 124.723 122.820 0.046 0.000 2.423 141 A HA 0.936 5.255 4.320 -0.000 0.000 0.304 141 A C -1.372 176.220 177.584 0.014 0.000 1.104 141 A CA -0.395 51.657 52.037 0.026 0.000 0.757 141 A CB 1.202 20.225 19.000 0.039 0.000 1.313 141 A HN 0.730 nan 8.150 nan 0.000 0.423 142 V N 0.693 120.613 119.914 0.009 0.000 2.525 142 V HA 0.621 4.740 4.120 -0.000 0.000 0.299 142 V C 0.270 176.376 176.094 0.021 0.000 1.034 142 V CA -0.386 61.919 62.300 0.007 0.000 0.863 142 V CB 1.508 33.333 31.823 0.003 0.000 0.999 142 V HN 1.336 nan 8.190 nan 0.000 0.423 143 A N 2.503 125.325 122.820 0.004 0.000 2.343 143 A HA 0.465 4.785 4.320 -0.000 0.000 0.305 143 A C 0.942 178.509 177.584 -0.028 0.000 1.308 143 A CA -0.040 51.974 52.037 -0.038 0.000 0.949 143 A CB -0.418 18.564 19.000 -0.030 0.000 1.148 143 A HN 1.252 nan 8.150 nan 0.000 0.545 144 H N 1.606 120.713 119.070 0.061 0.000 2.457 144 H HA -0.101 4.455 4.556 0.000 0.000 0.294 144 H C 0.798 176.261 175.328 0.226 0.000 1.064 144 H CA 1.434 57.547 56.048 0.109 0.000 1.330 144 H CB 0.016 29.820 29.762 0.071 0.000 1.395 144 H HN 0.571 nan 8.280 nan 0.000 0.541 145 D N 0.551 120.879 120.400 -0.120 0.000 2.340 145 D HA 0.129 4.769 4.640 -0.000 0.000 0.220 145 D C 1.216 177.532 176.300 0.027 0.000 1.039 145 D CA 0.617 54.625 54.000 0.013 0.000 0.866 145 D CB -0.170 40.589 40.800 -0.069 0.000 0.913 145 D HN 0.580 nan 8.370 nan 0.000 0.523 146 A N -0.286 122.568 122.820 0.056 0.000 2.574 146 A HA 0.430 4.750 4.320 -0.000 0.000 0.283 146 A C 0.136 177.838 177.584 0.197 0.000 1.270 146 A CA -0.532 51.591 52.037 0.144 0.000 0.945 146 A CB -0.263 18.812 19.000 0.125 0.000 1.127 146 A HN 0.307 nan 8.150 nan 0.000 0.522 147 C N -1.011 118.374 119.300 0.143 0.000 2.848 147 C HA 0.935 5.395 4.460 -0.000 0.000 0.317 147 C C 0.393 175.398 174.990 0.025 0.000 1.260 147 C CA -0.312 58.748 59.018 0.070 0.000 1.656 147 C CB 1.542 29.352 27.740 0.117 0.000 2.174 147 C HN 0.701 nan 8.230 nan 0.000 0.479 148 A N 0.735 123.503 122.820 -0.086 0.000 2.539 148 A HA 0.922 5.241 4.320 -0.000 0.000 0.296 148 A C -0.552 176.933 177.584 -0.166 0.000 1.073 148 A CA -0.199 51.739 52.037 -0.165 0.000 0.700 148 A CB 1.916 20.784 19.000 -0.220 0.000 1.296 148 A HN 0.907 nan 8.150 nan 0.000 0.405 149 T N -0.734 113.729 114.554 -0.153 0.000 2.572 149 T HA 0.763 5.113 4.350 -0.000 0.000 0.274 149 T C -1.650 172.940 174.700 -0.184 0.000 0.949 149 T CA 0.297 62.319 62.100 -0.131 0.000 1.126 149 T CB 0.686 69.541 68.868 -0.021 0.000 1.478 149 T HN 1.732 nan 8.240 nan 0.000 0.492 150 L N -0.491 120.609 121.223 -0.205 0.000 2.502 150 L HA 0.812 5.152 4.340 -0.000 0.000 0.253 150 L C -1.262 175.492 176.870 -0.193 0.000 1.070 150 L CA -1.111 53.615 54.840 -0.189 0.000 0.871 150 L CB -0.035 41.915 42.059 -0.181 0.000 1.487 150 L HN 0.349 nan 8.230 nan 0.000 0.408 151 D N 1.282 121.601 120.400 -0.136 0.000 2.424 151 D HA 0.547 5.187 4.640 -0.000 0.000 0.244 151 D C -0.449 175.780 176.300 -0.118 0.000 1.134 151 D CA 0.582 54.519 54.000 -0.104 0.000 0.881 151 D CB 0.807 41.566 40.800 -0.067 0.000 1.191 151 D HN 0.478 nan 8.370 nan 0.000 0.445 152 L N 1.422 122.587 121.223 -0.097 0.000 2.333 152 L HA 0.467 4.807 4.340 -0.000 0.000 0.269 152 L C 0.264 177.137 176.870 0.006 0.000 1.010 152 L CA -0.816 53.984 54.840 -0.066 0.000 0.818 152 L CB 2.011 44.014 42.059 -0.094 0.000 1.306 152 L HN 0.256 nan 8.230 nan 0.000 0.430 153 E N 1.784 122.013 120.200 0.049 0.000 2.266 153 E HA 0.429 4.779 4.350 -0.000 0.000 0.268 153 E C -2.102 174.613 176.600 0.192 0.000 0.879 153 E CA -0.511 55.939 56.400 0.082 0.000 0.762 153 E CB 2.804 32.526 29.700 0.036 0.000 1.199 153 E HN 0.374 nan 8.360 nan 0.000 0.422 154 F N 4.642 124.594 119.950 0.004 0.000 2.607 154 F HA 0.234 4.761 4.527 -0.000 0.000 0.322 154 F C -0.054 175.752 175.800 0.009 0.000 1.176 154 F CA -0.628 57.379 58.000 0.011 0.000 0.977 154 F CB 0.860 39.872 39.000 0.020 0.000 1.242 154 F HN 0.669 nan 8.300 nan 0.000 0.465 155 N N 4.295 122.547 118.700 -0.746 0.000 2.707 155 N HA -0.156 4.584 4.740 -0.000 0.000 0.253 155 N C 0.778 176.123 175.510 -0.275 0.000 0.998 155 N CA 2.087 54.758 53.050 -0.633 0.000 0.751 155 N CB -0.967 36.907 38.487 -1.022 0.000 0.920 155 N HN 1.753 nan 8.380 nan 0.000 0.539 156 G N -1.583 107.120 108.800 -0.160 0.000 2.217 156 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.246 156 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.246 156 G C 0.174 175.054 174.900 -0.032 0.000 0.990 156 G CA 0.266 45.319 45.100 -0.079 0.000 0.627 156 G HN 0.562 nan 8.290 nan 0.000 0.522 157 I N 2.068 122.634 120.570 -0.005 0.000 2.336 157 I HA 0.452 4.622 4.170 -0.000 0.000 0.292 157 I C 0.070 176.216 176.117 0.050 0.000 0.991 157 I CA -0.462 60.859 61.300 0.036 0.000 1.227 157 I CB 1.906 39.951 38.000 0.075 0.000 1.366 157 I HN -0.029 nan 8.210 nan 0.000 0.466 158 T N 6.005 120.576 114.554 0.029 0.000 2.758 158 T HA 0.418 4.768 4.350 -0.000 0.000 0.285 158 T C -0.211 174.501 174.700 0.020 0.000 0.981 158 T CA -0.426 61.687 62.100 0.022 0.000 0.965 158 T CB 1.180 70.051 68.868 0.005 0.000 0.927 158 T HN 0.187 nan 8.240 nan 0.000 0.448 159 V N 7.230 127.156 119.914 0.020 0.000 2.347 159 V HA 0.338 4.458 4.120 -0.000 0.000 0.280 159 V C -2.185 173.905 176.094 -0.006 0.000 1.021 159 V CA -2.296 60.013 62.300 0.015 0.000 0.847 159 V CB 1.045 32.884 31.823 0.027 0.000 0.990 159 V HN 0.663 nan 8.190 nan 0.000 0.444 160 P HA 0.140 nan 4.420 nan 0.000 0.270 160 P C 0.822 178.108 177.300 -0.023 0.000 1.223 160 P CA -0.010 63.078 63.100 -0.019 0.000 0.785 160 P CB 0.813 32.505 31.700 -0.012 0.000 0.923 161 A N 2.598 125.391 122.820 -0.045 0.000 1.948 161 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 161 A C 2.139 179.718 177.584 -0.008 0.000 1.177 161 A CA 2.388 54.392 52.037 -0.055 0.000 0.636 161 A CB -1.748 17.197 19.000 -0.091 0.000 0.815 161 A HN 0.569 nan 8.150 nan 0.000 0.449 162 A N -1.188 121.628 122.820 -0.007 0.000 1.972 162 A HA -0.196 4.123 4.320 -0.000 0.000 0.219 162 A C 2.117 179.747 177.584 0.076 0.000 1.169 162 A CA 1.655 53.707 52.037 0.025 0.000 0.635 162 A CB -0.419 18.585 19.000 0.007 0.000 0.810 162 A HN 0.676 nan 8.150 nan 0.000 0.446 163 Q N -0.764 119.067 119.800 0.052 0.000 2.212 163 Q HA -0.019 4.321 4.340 -0.000 0.000 0.199 163 Q C 2.117 178.169 176.000 0.087 0.000 0.950 163 Q CA 1.061 56.898 55.803 0.057 0.000 0.863 163 Q CB -0.110 28.648 28.738 0.033 0.000 0.944 163 Q HN 0.503 nan 8.270 nan 0.000 0.465 164 V N 0.312 120.281 119.914 0.091 0.000 2.255 164 V HA -0.319 3.800 4.120 -0.000 0.000 0.247 164 V C 2.079 178.328 176.094 0.258 0.000 1.051 164 V CA 2.423 64.813 62.300 0.151 0.000 1.018 164 V CB -0.727 31.111 31.823 0.026 0.000 0.641 164 V HN 0.423 nan 8.190 nan 0.000 0.445 165 H N 0.471 119.588 119.070 0.078 0.000 2.319 165 H HA -0.169 4.386 4.556 -0.001 0.000 0.299 165 H C 2.162 177.550 175.328 0.101 0.000 1.092 165 H CA 2.181 58.277 56.048 0.081 0.000 1.302 165 H CB -0.292 29.483 29.762 0.022 0.000 1.373 165 H HN 0.377 nan 8.280 nan 0.000 0.497 166 A N 0.594 123.496 122.820 0.136 0.000 1.902 166 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 166 A C 2.600 180.189 177.584 0.009 0.000 1.181 166 A CA 1.755 53.817 52.037 0.041 0.000 0.623 166 A CB -1.323 17.708 19.000 0.052 0.000 0.818 166 A HN 0.619 nan 8.150 nan 0.000 0.443 167 A N -0.841 122.000 122.820 0.035 0.000 1.877 167 A HA 0.175 4.495 4.320 -0.000 0.000 0.216 167 A C 1.113 178.636 177.584 -0.103 0.000 1.186 167 A CA 0.625 52.635 52.037 -0.045 0.000 0.620 167 A CB -0.576 18.381 19.000 -0.073 0.000 0.822 167 A HN 0.386 nan 8.150 nan 0.000 0.443 171 A N 2.170 124.982 122.820 -0.014 0.000 1.877 171 A HA 0.146 4.466 4.320 -0.000 0.000 0.216 171 A C 1.890 179.542 177.584 0.113 0.000 1.186 171 A CA 1.706 53.748 52.037 0.009 0.000 0.620 171 A CB -0.891 18.053 19.000 -0.094 0.000 0.822 171 A HN 0.561 nan 8.150 nan 0.000 0.443 172 L N -0.295 120.987 121.223 0.099 0.000 2.156 172 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 172 L C 1.610 178.549 176.870 0.115 0.000 1.095 172 L CA 0.564 55.495 54.840 0.152 0.000 0.770 172 L CB -0.385 41.712 42.059 0.064 0.000 0.914 172 L HN 0.384 nan 8.230 nan 0.000 0.439 173 S N -0.722 114.996 115.700 0.031 0.000 2.537 173 S HA 0.019 4.489 4.470 -0.000 0.000 0.286 173 S C 0.803 175.409 174.600 0.010 0.000 1.299 173 S CA -0.181 57.953 58.200 -0.110 0.000 1.067 173 S CB -0.251 62.884 63.200 -0.108 0.000 0.864 173 S HN 0.308 nan 8.310 nan 0.000 0.494 174 F N 1.339 121.317 119.950 0.045 0.000 2.604 174 F HA -0.413 4.114 4.527 -0.000 0.000 0.625 174 F C 2.067 177.864 175.800 -0.005 0.000 0.493 174 F CA 1.565 59.577 58.000 0.021 0.000 0.728 174 F CB -1.996 37.007 39.000 0.004 0.000 1.616 174 F HN 0.646 nan 8.300 nan 0.000 0.257 175 A N -1.328 121.579 122.820 0.146 0.000 1.930 175 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 175 A C 1.619 179.080 177.584 -0.204 0.000 1.175 175 A CA 2.248 54.254 52.037 -0.053 0.000 0.627 175 A CB -0.580 18.375 19.000 -0.075 0.000 0.815 175 A HN 0.668 nan 8.150 nan 0.000 0.443 176 Y N -2.797 117.527 120.300 0.040 0.000 2.494 176 Y HA 0.568 5.117 4.550 -0.001 0.000 0.271 176 Y C 0.778 176.688 175.900 0.016 0.000 1.113 176 Y CA 0.258 58.377 58.100 0.031 0.000 1.240 176 Y CB 0.666 39.144 38.460 0.030 0.000 1.268 176 Y HN 0.367 nan 8.280 nan 0.000 0.510 177 A N 0.041 122.940 122.820 0.133 0.000 2.606 177 A HA 0.469 4.789 4.320 -0.000 0.000 0.293 177 A C -1.624 175.907 177.584 -0.088 0.000 1.082 177 A CA -0.809 51.253 52.037 0.042 0.000 0.685 177 A CB 0.654 19.684 19.000 0.050 0.000 1.284 177 A HN 0.050 nan 8.150 nan 0.000 0.408 178 N N 0.618 119.269 118.700 -0.082 0.000 2.405 178 N HA 0.371 5.111 4.740 -0.000 0.000 0.260 178 N C -0.950 174.501 175.510 -0.098 0.000 1.152 178 N CA 0.319 53.280 53.050 -0.149 0.000 0.948 178 N CB 0.502 38.950 38.487 -0.065 0.000 1.111 178 N HN 0.377 nan 8.380 nan 0.000 0.485 179 V N 2.581 122.406 119.914 -0.148 0.000 2.350 179 V HA 0.835 4.955 4.120 -0.000 0.000 0.276 179 V C 0.256 176.386 176.094 0.061 0.000 1.028 179 V CA -0.466 61.818 62.300 -0.027 0.000 0.860 179 V CB 0.219 32.013 31.823 -0.049 0.000 0.990 179 V HN 0.866 nan 8.190 nan 0.000 0.453 180 A N 3.555 126.473 122.820 0.163 0.000 2.599 180 A HA 0.793 5.112 4.320 -0.000 0.000 0.290 180 A C -0.346 177.246 177.584 0.013 0.000 1.101 180 A CA -0.464 51.676 52.037 0.171 0.000 0.674 180 A CB 1.627 20.665 19.000 0.063 0.000 1.277 180 A HN 0.699 nan 8.150 nan 0.000 0.419 181 S N -0.110 115.560 115.700 -0.050 0.000 2.576 181 S HA 0.431 4.901 4.470 -0.000 0.000 0.276 181 S C 1.592 176.111 174.600 -0.135 0.000 1.339 181 S CA 0.345 58.389 58.200 -0.260 0.000 1.039 181 S CB 0.812 63.978 63.200 -0.056 0.000 0.902 181 S HN 2.034 nan 8.310 nan 0.000 0.516 182 A N 3.954 126.689 122.820 -0.142 0.000 1.915 182 A HA -0.194 4.125 4.320 -0.000 0.000 0.220 182 A C 1.833 179.413 177.584 -0.007 0.000 1.198 182 A CA 2.385 54.396 52.037 -0.042 0.000 0.647 182 A CB -1.146 17.837 19.000 -0.028 0.000 0.825 182 A HN 0.915 nan 8.150 nan 0.000 0.456 183 D N -0.699 119.693 120.400 -0.013 0.000 2.144 183 D HA -0.107 4.533 4.640 -0.000 0.000 0.199 183 D C 1.984 178.293 176.300 0.015 0.000 0.984 183 D CA 1.454 55.459 54.000 0.008 0.000 0.834 183 D CB -0.392 40.414 40.800 0.010 0.000 0.955 183 D HN 0.697 nan 8.370 nan 0.000 0.465 184 E N 0.073 120.282 120.200 0.015 0.000 2.106 184 E HA -0.083 4.267 4.350 -0.000 0.000 0.192 184 E C 2.298 178.915 176.600 0.028 0.000 0.984 184 E CA 0.411 56.827 56.400 0.027 0.000 0.806 184 E CB 0.006 29.730 29.700 0.040 0.000 0.750 184 E HN 0.251 nan 8.360 nan 0.000 0.458 185 L N 0.489 121.729 121.223 0.029 0.000 2.109 185 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 185 L C 2.341 179.240 176.870 0.048 0.000 1.086 185 L CA 0.635 55.503 54.840 0.047 0.000 0.760 185 L CB -0.168 41.930 42.059 0.065 0.000 0.910 185 L HN 0.144 nan 8.230 nan 0.000 0.437 186 I N 0.055 120.651 120.570 0.044 0.000 2.179 186 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 186 I C 2.674 178.797 176.117 0.010 0.000 1.088 186 I CA 1.196 62.516 61.300 0.034 0.000 1.357 186 I CB -0.403 37.619 38.000 0.036 0.000 1.051 186 I HN 0.193 nan 8.210 nan 0.000 0.409 187 A N 0.519 123.347 122.820 0.013 0.000 2.194 187 A HA -0.021 4.299 4.320 -0.000 0.000 0.220 187 A C 1.334 178.919 177.584 0.002 0.000 1.162 187 A CA 1.607 53.649 52.037 0.008 0.000 0.674 187 A CB -1.139 17.870 19.000 0.015 0.000 0.789 187 A HN 0.477 nan 8.150 nan 0.000 0.470 188 G N 0.000 108.800 108.800 0.000 0.000 5.446 188 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 188 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 188 G CA 0.000 45.097 45.100 -0.005 0.000 0.502 188 G HN 0.000 nan 8.290 nan 0.000 0.925