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 2dr3_1_C DATA FIRST_RESID 2 DATA SEQUENCE TRRVKTGIPG VDEILHGGIP ERNVVLLSGG PGTGKTIFSQ QFLWNGLKMG DATA SEQUENCE EPGIYVALEE HPVQVRQNMA QFGWDVKPYE EKGMFAMVDA FTAGIGXXXE DATA SEQUENCE YEKYIVHDLT DIREFIEVLR QAIRDINAKR VVVDSVTTLY INKPAMARSI DATA SEQUENCE ILQLKRVLAG TGCTSIFVSQ VSXXXXXXXX XGVEHGVDGI IRLDLDEIDG DATA SEQUENCE ELKRSLIVWK MRGTSHSMRR HPFDITDKGI IVYPDKVLKR GKVLE 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.705 174.700 0.009 0.000 1.109 2 T CA 0.000 62.105 62.100 0.007 0.000 1.349 2 T CB 0.000 68.873 68.868 0.009 0.000 0.612 3 R N 1.176 121.680 120.500 0.007 0.000 2.738 3 R HA 0.724 5.064 4.340 0.000 0.000 0.268 3 R C 0.055 176.362 176.300 0.011 0.000 1.062 3 R CA -0.575 55.529 56.100 0.007 0.000 1.158 3 R CB 0.276 30.578 30.300 0.004 0.000 1.046 3 R HN 0.454 nan 8.270 nan 0.000 0.493 4 R N 0.324 120.831 120.500 0.012 0.000 2.599 4 R HA 0.424 4.764 4.340 0.000 0.000 0.295 4 R C -1.348 174.964 176.300 0.021 0.000 0.963 4 R CA -0.718 55.393 56.100 0.018 0.000 0.883 4 R CB 1.935 32.247 30.300 0.020 0.000 1.171 4 R HN 0.374 nan 8.270 nan 0.000 0.450 5 V N 4.830 124.766 119.914 0.037 0.000 2.333 5 V HA 0.324 4.444 4.120 0.000 0.000 0.274 5 V C -0.151 175.985 176.094 0.070 0.000 1.028 5 V CA -0.927 61.408 62.300 0.057 0.000 0.851 5 V CB 1.274 33.162 31.823 0.109 0.000 1.000 5 V HN 0.457 nan 8.190 nan 0.000 0.456 6 K N 3.301 123.722 120.400 0.035 0.000 2.378 6 K HA 0.140 4.460 4.320 0.000 0.000 0.288 6 K C 1.489 178.117 176.600 0.047 0.000 1.057 6 K CA 0.177 56.476 56.287 0.021 0.000 0.971 6 K CB 1.171 33.661 32.500 -0.017 0.000 0.975 6 K HN 0.898 nan 8.250 nan 0.000 0.475 7 T N -0.727 113.871 114.554 0.073 0.000 2.951 7 T HA -0.054 4.296 4.350 0.000 0.000 0.268 7 T C 1.482 176.169 174.700 -0.023 0.000 1.073 7 T CA 0.976 63.153 62.100 0.128 0.000 1.134 7 T CB -0.161 68.724 68.868 0.028 0.000 0.884 7 T HN 0.760 nan 8.240 nan 0.000 0.479 8 G N 1.488 110.253 108.800 -0.059 0.000 2.189 8 G HA2 -0.253 3.707 3.960 0.000 0.000 0.267 8 G HA3 -0.253 3.707 3.960 0.000 0.000 0.267 8 G C 0.137 174.967 174.900 -0.117 0.000 0.975 8 G CA 0.299 45.346 45.100 -0.087 0.000 0.644 8 G HN 0.703 nan 8.290 nan 0.000 0.537 9 I N 2.266 122.732 120.570 -0.174 0.000 2.452 9 I HA 0.216 4.386 4.170 0.000 0.000 0.287 9 I C -1.784 174.227 176.117 -0.177 0.000 1.079 9 I CA -2.024 59.130 61.300 -0.243 0.000 1.387 9 I CB 0.905 38.618 38.000 -0.478 0.000 1.404 9 I HN -0.145 nan 8.210 nan 0.000 0.522 10 P HA -0.076 nan 4.420 nan 0.000 0.255 10 P C 0.894 178.105 177.300 -0.147 0.000 1.161 10 P CA 1.081 64.107 63.100 -0.122 0.000 0.768 10 P CB 0.311 31.942 31.700 -0.116 0.000 0.746 11 G N 1.923 110.655 108.800 -0.112 0.000 2.299 11 G HA2 -0.331 3.629 3.960 0.000 0.000 0.237 11 G HA3 -0.331 3.629 3.960 0.000 0.000 0.237 11 G C 1.083 175.919 174.900 -0.106 0.000 1.027 11 G CA 0.210 45.242 45.100 -0.113 0.000 0.619 11 G HN 0.383 nan 8.290 nan 0.000 0.513 12 V N 1.593 121.446 119.914 -0.103 0.000 2.358 12 V HA -0.098 4.022 4.120 0.000 0.000 0.246 12 V C 2.500 178.573 176.094 -0.036 0.000 1.047 12 V CA 2.633 64.894 62.300 -0.066 0.000 1.035 12 V CB -0.434 31.345 31.823 -0.073 0.000 0.658 12 V HN 0.466 nan 8.190 nan 0.000 0.452 13 D N -0.045 120.335 120.400 -0.034 0.000 2.178 13 D HA -0.159 4.481 4.640 0.000 0.000 0.201 13 D C 2.144 178.458 176.300 0.023 0.000 0.980 13 D CA 1.201 55.198 54.000 -0.004 0.000 0.842 13 D CB -0.034 40.761 40.800 -0.009 0.000 0.948 13 D HN 0.529 nan 8.370 nan 0.000 0.472 14 E N 0.726 120.931 120.200 0.008 0.000 2.072 14 E HA -0.062 4.288 4.350 0.000 0.000 0.191 14 E C 2.258 178.921 176.600 0.104 0.000 0.985 14 E CA 0.383 56.806 56.400 0.039 0.000 0.801 14 E CB -0.184 29.516 29.700 -0.001 0.000 0.750 14 E HN 0.302 nan 8.360 nan 0.000 0.452 15 I N 0.383 120.965 120.570 0.020 0.000 2.361 15 I HA -0.203 3.967 4.170 0.000 0.000 0.251 15 I C 1.534 177.667 176.117 0.028 0.000 1.133 15 I CA 0.907 62.219 61.300 0.019 0.000 1.413 15 I CB -0.017 37.934 38.000 -0.082 0.000 1.073 15 I HN 0.092 nan 8.210 nan 0.000 0.424 16 L N -0.262 120.977 121.223 0.028 0.000 2.627 16 L HA 0.104 4.444 4.340 0.000 0.000 0.232 16 L C 0.077 177.001 176.870 0.091 0.000 1.150 16 L CA 0.124 54.966 54.840 0.003 0.000 0.917 16 L CB -0.801 41.255 42.059 -0.006 0.000 1.104 16 L HN 0.335 nan 8.230 nan 0.000 0.445 17 H N -0.125 118.967 119.070 0.037 0.000 2.677 17 H HA -0.209 4.347 4.556 0.000 0.000 0.321 17 H C 1.288 176.624 175.328 0.013 0.000 1.171 17 H CA -0.037 56.025 56.048 0.023 0.000 1.139 17 H CB -1.083 28.696 29.762 0.028 0.000 1.515 17 H HN 0.653 nan 8.280 nan 0.000 0.423 18 G N -1.674 107.194 108.800 0.113 0.000 2.541 18 G HA2 0.105 4.065 3.960 0.000 0.000 0.201 18 G HA3 0.105 4.065 3.960 0.000 0.000 0.201 18 G C 0.535 175.459 174.900 0.041 0.000 1.026 18 G CA 0.362 45.498 45.100 0.060 0.000 0.687 18 G HN 1.505 nan 8.290 nan 0.000 0.492 19 G N -0.741 108.084 108.800 0.043 0.000 2.357 19 G HA2 0.414 4.374 3.960 0.000 0.000 0.289 19 G HA3 0.414 4.374 3.960 0.000 0.000 0.289 19 G C -0.944 173.967 174.900 0.019 0.000 1.302 19 G CA -0.338 44.778 45.100 0.027 0.000 0.936 19 G HN 0.917 nan 8.290 nan 0.000 0.513 20 I N 2.071 122.651 120.570 0.017 0.000 2.416 20 I HA 0.252 4.422 4.170 0.000 0.000 0.288 20 I C -2.002 174.118 176.117 0.006 0.000 1.051 20 I CA -1.582 59.715 61.300 -0.006 0.000 1.375 20 I CB 1.563 39.551 38.000 -0.019 0.000 1.407 20 I HN 0.087 nan 8.210 nan 0.000 0.516 21 P HA -0.020 nan 4.420 nan 0.000 0.263 21 P C -0.271 177.029 177.300 0.000 0.000 1.195 21 P CA -0.033 63.068 63.100 0.001 0.000 0.762 21 P CB 0.363 32.061 31.700 -0.004 0.000 0.799 22 E N 3.778 123.983 120.200 0.008 0.000 2.608 22 E HA -0.168 4.182 4.350 0.000 0.000 0.259 22 E C 0.443 177.044 176.600 0.001 0.000 0.951 22 E CA 0.600 57.007 56.400 0.011 0.000 0.945 22 E CB 0.020 29.726 29.700 0.009 0.000 0.916 22 E HN 0.356 nan 8.360 nan 0.000 0.477 23 R N 0.946 121.448 120.500 0.004 0.000 3.728 23 R HA -0.189 4.151 4.340 0.000 0.000 0.478 23 R C -0.366 175.914 176.300 -0.034 0.000 0.932 23 R CA 0.614 56.710 56.100 -0.007 0.000 1.317 23 R CB -1.543 28.753 30.300 -0.006 0.000 1.987 23 R HN 0.504 nan 8.270 nan 0.000 0.509 24 N N 0.902 119.575 118.700 -0.045 0.000 2.492 24 N HA 0.180 4.920 4.740 0.000 0.000 0.260 24 N C -0.359 175.065 175.510 -0.144 0.000 1.215 24 N CA 0.179 53.178 53.050 -0.085 0.000 0.923 24 N CB 0.850 39.287 38.487 -0.083 0.000 1.092 24 N HN -0.030 nan 8.380 nan 0.000 0.448 25 V N 2.648 122.431 119.914 -0.218 0.000 2.383 25 V HA 0.293 4.413 4.120 0.000 0.000 0.275 25 V C 0.004 175.873 176.094 -0.376 0.000 1.036 25 V CA -0.677 61.377 62.300 -0.409 0.000 0.889 25 V CB 1.344 32.813 31.823 -0.590 0.000 0.985 25 V HN 0.273 nan 8.190 nan 0.000 0.459 26 V N 6.367 126.059 119.914 -0.370 0.000 2.417 26 V HA 0.397 4.517 4.120 0.000 0.000 0.291 26 V C -0.191 175.756 176.094 -0.245 0.000 1.024 26 V CA -0.637 61.496 62.300 -0.278 0.000 0.861 26 V CB 1.712 33.381 31.823 -0.257 0.000 0.985 26 V HN 0.689 nan 8.190 nan 0.000 0.436 27 L N 5.873 126.993 121.223 -0.172 0.000 2.281 27 L HA 0.483 4.823 4.340 0.000 0.000 0.285 27 L C -0.489 176.306 176.870 -0.125 0.000 1.074 27 L CA 0.007 54.800 54.840 -0.079 0.000 0.817 27 L CB 1.063 43.099 42.059 -0.037 0.000 1.168 27 L HN 0.638 nan 8.230 nan 0.000 0.434 28 L N 5.172 126.319 121.223 -0.126 0.000 2.283 28 L HA 0.489 4.829 4.340 0.000 0.000 0.281 28 L C -0.246 176.543 176.870 -0.135 0.000 1.033 28 L CA 0.437 55.146 54.840 -0.218 0.000 0.848 28 L CB 0.991 42.866 42.059 -0.306 0.000 1.226 28 L HN 0.665 nan 8.230 nan 0.000 0.429 29 S N 3.298 118.924 115.700 -0.123 0.000 2.475 29 S HA 0.978 5.448 4.470 0.000 0.000 0.298 29 S C -0.202 174.358 174.600 -0.067 0.000 1.119 29 S CA 0.205 58.357 58.200 -0.079 0.000 1.085 29 S CB 1.093 64.244 63.200 -0.081 0.000 1.028 29 S HN 1.065 nan 8.310 nan 0.000 0.489 30 G N 1.861 110.639 108.800 -0.037 0.000 2.368 30 G HA2 0.507 4.467 3.960 0.000 0.000 0.293 30 G HA3 0.507 4.467 3.960 0.000 0.000 0.293 30 G C -0.243 174.660 174.900 0.005 0.000 1.467 30 G CA -0.221 44.873 45.100 -0.010 0.000 0.804 30 G HN 1.002 nan 8.290 nan 0.000 0.535 31 G N -0.287 108.524 108.800 0.018 0.000 2.621 31 G HA2 0.681 4.641 3.960 0.000 0.000 0.271 31 G HA3 0.681 4.641 3.960 0.000 0.000 0.271 31 G C -2.199 172.722 174.900 0.035 0.000 1.236 31 G CA -1.002 44.111 45.100 0.021 0.000 0.958 31 G HN 0.567 nan 8.290 nan 0.000 0.512 32 P HA 0.158 nan 4.420 nan 0.000 0.269 32 P C 0.693 178.025 177.300 0.054 0.000 1.209 32 P CA 1.120 64.247 63.100 0.044 0.000 0.776 32 P CB 0.841 32.564 31.700 0.038 0.000 0.876 33 G N 2.409 111.250 108.800 0.069 0.000 2.249 33 G HA2 -0.277 3.683 3.960 0.000 0.000 0.273 33 G HA3 -0.277 3.683 3.960 0.000 0.000 0.273 33 G C 0.663 175.622 174.900 0.098 0.000 1.036 33 G CA 0.729 45.878 45.100 0.082 0.000 0.824 33 G HN 0.673 nan 8.290 nan 0.000 0.504 34 T N -3.236 111.386 114.554 0.114 0.000 3.065 34 T HA 0.439 4.789 4.350 0.000 0.000 0.252 34 T C 2.093 176.958 174.700 0.275 0.000 1.099 34 T CA 1.257 63.456 62.100 0.165 0.000 1.063 34 T CB 0.615 69.565 68.868 0.136 0.000 0.948 34 T HN 2.056 nan 8.240 nan 0.000 0.506 35 G N 1.638 110.567 108.800 0.216 0.000 2.154 35 G HA2 -0.225 3.735 3.960 0.000 0.000 0.186 35 G HA3 -0.225 3.735 3.960 0.000 0.000 0.186 35 G C 0.752 175.771 174.900 0.198 0.000 1.000 35 G CA 0.151 45.403 45.100 0.254 0.000 0.664 35 G HN 0.486 nan 8.290 nan 0.000 0.513 36 K N -0.131 120.344 120.400 0.125 0.000 2.097 36 K HA -0.044 4.276 4.320 0.000 0.000 0.206 36 K C 2.490 179.184 176.600 0.157 0.000 1.049 36 K CA 1.793 58.121 56.287 0.067 0.000 0.933 36 K CB -0.229 32.283 32.500 0.021 0.000 0.717 36 K HN 0.351 nan 8.250 nan 0.000 0.442 37 T N 1.551 116.213 114.554 0.180 0.000 2.812 37 T HA -0.016 4.334 4.350 0.000 0.000 0.264 37 T C 1.937 176.790 174.700 0.254 0.000 1.042 37 T CA 0.894 63.136 62.100 0.237 0.000 1.140 37 T CB -0.121 68.879 68.868 0.219 0.000 0.870 37 T HN 0.111 nan 8.240 nan 0.000 0.445 38 I N 0.372 121.059 120.570 0.196 0.000 2.226 38 I HA -0.120 4.050 4.170 0.000 0.000 0.245 38 I C 2.112 178.334 176.117 0.175 0.000 1.100 38 I CA 1.210 62.581 61.300 0.118 0.000 1.374 38 I CB -0.363 37.596 38.000 -0.069 0.000 1.057 38 I HN 0.130 nan 8.210 nan 0.000 0.413 39 F N 2.079 122.047 119.950 0.029 0.000 2.069 39 F HA -0.299 4.228 4.527 0.000 0.000 0.298 39 F C 2.917 178.741 175.800 0.040 0.000 1.113 39 F CA 1.905 59.895 58.000 -0.016 0.000 1.214 39 F CB -0.577 38.378 39.000 -0.076 0.000 0.978 39 F HN 0.130 nan 8.300 nan 0.000 0.474 40 S N -0.563 115.424 115.700 0.479 0.000 2.419 40 S HA -0.232 4.238 4.470 0.000 0.000 0.233 40 S C 1.817 176.665 174.600 0.413 0.000 1.016 40 S CA 1.310 59.776 58.200 0.444 0.000 0.974 40 S CB -0.742 62.666 63.200 0.347 0.000 0.786 40 S HN 0.659 nan 8.310 nan 0.000 0.492 41 Q N 0.573 120.552 119.800 0.299 0.000 2.137 41 Q HA -0.003 4.337 4.340 0.000 0.000 0.198 41 Q C 2.421 178.304 176.000 -0.195 0.000 0.960 41 Q CA 1.153 57.060 55.803 0.174 0.000 0.847 41 Q CB -0.196 28.681 28.738 0.232 0.000 0.915 41 Q HN 0.751 nan 8.270 nan 0.000 0.448 42 Q N 0.084 119.646 119.800 -0.397 0.000 2.119 42 Q HA -0.183 4.157 4.340 0.000 0.000 0.201 42 Q C 1.801 177.577 176.000 -0.373 0.000 0.972 42 Q CA 1.023 56.329 55.803 -0.828 0.000 0.847 42 Q CB -0.057 28.322 28.738 -0.598 0.000 0.903 42 Q HN 0.343 nan 8.270 nan 0.000 0.433 43 F N 0.884 120.656 119.950 -0.297 0.000 2.095 43 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 43 F C 1.544 177.268 175.800 -0.126 0.000 1.104 43 F CA 1.540 59.430 58.000 -0.184 0.000 1.232 43 F CB -0.388 38.588 39.000 -0.039 0.000 0.987 43 F HN 0.064 nan 8.300 nan 0.000 0.475 44 L N -0.842 120.225 121.223 -0.261 0.000 2.056 44 L HA -0.235 4.105 4.340 0.000 0.000 0.207 44 L C 2.602 179.284 176.870 -0.313 0.000 1.078 44 L CA 1.501 56.156 54.840 -0.309 0.000 0.749 44 L CB -1.098 41.019 42.059 0.095 0.000 0.901 44 L HN 0.499 nan 8.230 nan 0.000 0.433 45 W N 1.826 122.811 121.300 -0.525 0.000 2.332 45 W HA -0.251 4.409 4.660 -0.000 0.000 0.321 45 W C 2.225 178.416 176.519 -0.547 0.000 1.219 45 W CA 1.776 58.736 57.345 -0.641 0.000 1.277 45 W CB -0.328 28.537 29.460 -0.992 0.000 1.161 45 W HN 0.266 nan 8.180 nan 0.000 0.476 46 N N 0.474 118.908 118.700 -0.442 0.000 2.205 46 N HA -0.146 4.594 4.740 0.000 0.000 0.186 46 N C 1.889 177.135 175.510 -0.441 0.000 1.015 46 N CA 1.939 54.742 53.050 -0.412 0.000 0.862 46 N CB -1.281 37.062 38.487 -0.241 0.000 0.986 46 N HN 0.330 nan 8.380 nan 0.000 0.429 47 G N 1.502 110.027 108.800 -0.459 0.000 2.433 47 G HA2 -0.173 3.787 3.960 0.000 0.000 0.216 47 G HA3 -0.173 3.787 3.960 0.000 0.000 0.216 47 G C 1.687 176.343 174.900 -0.407 0.000 1.186 47 G CA 0.425 45.275 45.100 -0.417 0.000 0.779 47 G HN 0.238 nan 8.290 nan 0.000 0.543 48 L N 0.053 120.951 121.223 -0.541 0.000 2.042 48 L HA -0.050 4.290 4.340 0.000 0.000 0.210 48 L C 2.601 179.111 176.870 -0.601 0.000 1.076 48 L CA 1.325 55.786 54.840 -0.631 0.000 0.749 48 L CB -0.286 41.110 42.059 -1.106 0.000 0.893 48 L HN 0.175 nan 8.230 nan 0.000 0.432 49 K N -0.193 119.750 120.400 -0.762 0.000 2.632 49 K HA 0.005 4.325 4.320 0.000 0.000 0.196 49 K C 1.181 177.613 176.600 -0.280 0.000 1.023 49 K CA 0.360 56.340 56.287 -0.512 0.000 1.098 49 K CB 0.165 32.283 32.500 -0.637 0.000 0.862 49 K HN 0.303 nan 8.250 nan 0.000 0.504 50 M N -1.376 118.073 119.600 -0.252 0.000 2.327 50 M HA 0.134 4.614 4.480 0.000 0.000 0.365 50 M C 0.497 176.726 176.300 -0.119 0.000 0.992 50 M CA 0.174 55.377 55.300 -0.163 0.000 0.985 50 M CB 1.703 34.203 32.600 -0.168 0.000 1.673 50 M HN 0.302 nan 8.290 nan 0.000 0.586 51 G N 1.439 110.173 108.800 -0.110 0.000 2.143 51 G HA2 -0.230 3.730 3.960 0.000 0.000 0.249 51 G HA3 -0.230 3.730 3.960 0.000 0.000 0.249 51 G C -0.268 174.591 174.900 -0.070 0.000 0.981 51 G CA 0.061 45.123 45.100 -0.062 0.000 0.665 51 G HN 0.532 nan 8.290 nan 0.000 0.528 52 E N 1.790 121.921 120.200 -0.115 0.000 2.092 52 E HA 0.354 4.704 4.350 0.000 0.000 0.271 52 E C -2.229 174.303 176.600 -0.114 0.000 0.919 52 E CA -1.990 54.343 56.400 -0.111 0.000 0.760 52 E CB 1.869 31.483 29.700 -0.143 0.000 1.106 52 E HN 0.238 nan 8.360 nan 0.000 0.408 53 P HA 0.056 nan 4.420 nan 0.000 0.271 53 P C -0.313 176.958 177.300 -0.049 0.000 1.216 53 P CA -0.101 62.984 63.100 -0.025 0.000 0.771 53 P CB 1.235 32.931 31.700 -0.007 0.000 0.864 54 G N 2.614 111.417 108.800 0.006 0.000 2.519 54 G HA2 0.678 4.638 3.960 0.000 0.000 0.307 54 G HA3 0.678 4.638 3.960 0.000 0.000 0.307 54 G C -1.202 173.596 174.900 -0.169 0.000 1.266 54 G CA -0.809 44.279 45.100 -0.021 0.000 0.970 54 G HN 0.422 nan 8.290 nan 0.000 0.481 55 I N 0.519 120.984 120.570 -0.176 0.000 2.509 55 I HA 0.317 4.487 4.170 0.000 0.000 0.293 55 I C -1.491 174.570 176.117 -0.094 0.000 1.020 55 I CA -0.935 60.184 61.300 -0.303 0.000 1.088 55 I CB 2.485 40.333 38.000 -0.253 0.000 1.267 55 I HN 0.513 nan 8.210 nan 0.000 0.430 56 Y N 6.429 126.575 120.300 -0.257 0.000 2.338 56 Y HA 0.497 5.047 4.550 0.000 0.000 0.328 56 Y C -0.827 175.035 175.900 -0.063 0.000 0.965 56 Y CA -0.770 57.312 58.100 -0.030 0.000 1.208 56 Y CB 1.306 39.852 38.460 0.143 0.000 1.132 56 Y HN 0.232 nan 8.280 nan 0.000 0.469 57 V N 6.655 126.416 119.914 -0.254 0.000 2.372 57 V HA 0.472 4.592 4.120 0.000 0.000 0.261 57 V C 0.337 176.314 176.094 -0.195 0.000 1.055 57 V CA -0.366 61.826 62.300 -0.179 0.000 0.930 57 V CB 0.230 31.969 31.823 -0.139 0.000 1.031 57 V HN 0.906 nan 8.190 nan 0.000 0.479 58 A N 5.577 128.409 122.820 0.020 0.000 2.302 58 A HA 0.691 5.011 4.320 0.000 0.000 0.295 58 A C 0.341 178.011 177.584 0.144 0.000 1.235 58 A CA -0.224 51.888 52.037 0.126 0.000 0.876 58 A CB 0.293 19.424 19.000 0.218 0.000 1.133 58 A HN 0.815 nan 8.150 nan 0.000 0.533 59 L N 1.239 122.543 121.223 0.136 0.000 2.817 59 L HA 0.233 4.573 4.340 0.000 0.000 0.248 59 L C 1.475 178.530 176.870 0.308 0.000 1.133 59 L CA 0.450 55.412 54.840 0.203 0.000 0.935 59 L CB 0.298 42.408 42.059 0.085 0.000 1.266 59 L HN 0.603 nan 8.230 nan 0.000 0.535 60 E N -0.016 120.317 120.200 0.222 0.000 2.372 60 E HA 0.248 4.598 4.350 0.000 0.000 0.201 60 E C 0.055 176.657 176.600 0.004 0.000 0.938 60 E CA 0.365 56.890 56.400 0.208 0.000 0.944 60 E CB 0.812 30.580 29.700 0.113 0.000 0.937 60 E HN 0.427 nan 8.360 nan 0.000 0.495 61 E N -0.279 119.685 120.200 -0.393 0.000 2.429 61 E HA 0.235 4.585 4.350 0.000 0.000 0.276 61 E C -0.702 175.211 176.600 -1.146 0.000 0.953 61 E CA -0.693 55.160 56.400 -0.912 0.000 0.787 61 E CB 1.986 31.503 29.700 -0.305 0.000 1.307 61 E HN 0.026 nan 8.360 nan 0.000 0.458 62 H N 1.768 120.156 119.070 -1.137 0.000 2.652 62 H HA 0.079 4.635 4.556 0.000 0.000 0.349 62 H C -1.842 173.391 175.328 -0.158 0.000 1.099 62 H CA -1.536 54.261 56.048 -0.418 0.000 1.417 62 H CB 1.295 30.995 29.762 -0.104 0.000 1.457 62 H HN 0.213 nan 8.280 nan 0.000 0.568 63 P HA -0.218 nan 4.420 nan 0.000 0.217 63 P C 1.714 179.006 177.300 -0.013 0.000 1.151 63 P CA 1.040 64.029 63.100 -0.186 0.000 0.849 63 P CB 0.267 31.820 31.700 -0.245 0.000 0.787 64 V N -0.924 119.100 119.914 0.183 0.000 2.332 64 V HA -0.291 3.829 4.120 0.000 0.000 0.248 64 V C 2.435 178.590 176.094 0.102 0.000 1.055 64 V CA 1.971 64.402 62.300 0.217 0.000 1.038 64 V CB -1.162 30.847 31.823 0.310 0.000 0.651 64 V HN 0.105 nan 8.190 nan 0.000 0.450 65 Q N -0.560 119.288 119.800 0.079 0.000 2.123 65 Q HA -0.087 4.253 4.340 0.000 0.000 0.199 65 Q C 2.196 178.184 176.000 -0.021 0.000 0.966 65 Q CA 1.417 57.223 55.803 0.005 0.000 0.845 65 Q CB -0.584 28.135 28.738 -0.031 0.000 0.907 65 Q HN 0.538 nan 8.270 nan 0.000 0.439 66 V N 0.716 120.605 119.914 -0.042 0.000 2.287 66 V HA -0.312 3.808 4.120 0.000 0.000 0.248 66 V C 2.119 178.174 176.094 -0.066 0.000 1.053 66 V CA 2.067 64.313 62.300 -0.090 0.000 1.027 66 V CB -0.504 31.208 31.823 -0.185 0.000 0.646 66 V HN 0.341 nan 8.190 nan 0.000 0.447 67 R N -0.319 120.170 120.500 -0.018 0.000 2.105 67 R HA -0.227 4.113 4.340 0.000 0.000 0.239 67 R C 2.411 178.701 176.300 -0.017 0.000 1.135 67 R CA 1.781 57.884 56.100 0.005 0.000 0.967 67 R CB -0.371 29.960 30.300 0.053 0.000 0.861 67 R HN 0.634 nan 8.270 nan 0.000 0.442 68 Q N 0.099 119.887 119.800 -0.020 0.000 2.079 68 Q HA -0.167 4.173 4.340 0.000 0.000 0.200 68 Q C 1.888 177.843 176.000 -0.075 0.000 0.974 68 Q CA 1.519 57.296 55.803 -0.044 0.000 0.840 68 Q CB -0.188 28.529 28.738 -0.035 0.000 0.898 68 Q HN 0.257 nan 8.270 nan 0.000 0.430 69 N N 0.370 119.041 118.700 -0.048 0.000 2.120 69 N HA -0.132 4.608 4.740 0.000 0.000 0.188 69 N C 1.616 177.127 175.510 0.001 0.000 1.024 69 N CA 1.381 54.414 53.050 -0.029 0.000 0.852 69 N CB 0.034 38.550 38.487 0.047 0.000 1.003 69 N HN 0.164 nan 8.380 nan 0.000 0.424 70 M N -0.467 119.147 119.600 0.023 0.000 2.099 70 M HA -0.028 4.452 4.480 0.000 0.000 0.262 70 M C 2.212 178.418 176.300 -0.157 0.000 1.067 70 M CA 1.500 56.842 55.300 0.070 0.000 1.124 70 M CB -0.376 32.287 32.600 0.106 0.000 1.353 70 M HN 0.255 nan 8.290 nan 0.000 0.410 71 A N -0.242 122.486 122.820 -0.152 0.000 1.978 71 A HA -0.239 4.081 4.320 0.000 0.000 0.220 71 A C 1.997 179.401 177.584 -0.300 0.000 1.170 71 A CA 1.728 53.644 52.037 -0.201 0.000 0.636 71 A CB -0.812 18.118 19.000 -0.116 0.000 0.810 71 A HN 0.586 nan 8.150 nan 0.000 0.448 72 Q N -2.051 117.542 119.800 -0.345 0.000 2.291 72 Q HA -0.097 4.243 4.340 0.000 0.000 0.205 72 Q C 0.929 176.507 176.000 -0.703 0.000 0.970 72 Q CA 1.169 56.686 55.803 -0.477 0.000 0.876 72 Q CB -0.098 28.331 28.738 -0.515 0.000 0.935 72 Q HN 0.714 nan 8.270 nan 0.000 0.455 73 F N -1.545 117.983 119.950 -0.702 0.000 2.776 73 F HA 0.259 4.787 4.527 -0.000 0.000 0.300 73 F C 1.375 176.523 175.800 -1.086 0.000 1.116 73 F CA 0.779 58.157 58.000 -1.036 0.000 1.375 73 F CB 1.075 38.966 39.000 -1.848 0.000 1.109 73 F HN 0.135 nan 8.300 nan 0.000 0.585 74 G N -1.138 107.242 108.800 -0.700 0.000 2.135 74 G HA2 -0.216 3.744 3.960 0.000 0.000 0.183 74 G HA3 -0.216 3.744 3.960 0.000 0.000 0.183 74 G C -0.469 174.096 174.900 -0.559 0.000 1.004 74 G CA -0.598 44.217 45.100 -0.474 0.000 0.677 74 G HN 0.144 nan 8.290 nan 0.000 0.512 75 W N 1.653 122.478 121.300 -0.791 0.000 2.351 75 W HA 0.561 5.221 4.660 -0.000 0.000 0.320 75 W C -0.497 175.543 176.519 -0.797 0.000 0.947 75 W CA -2.122 54.219 57.345 -1.674 0.000 1.565 75 W CB 0.371 28.898 29.460 -1.556 0.000 1.409 75 W HN 0.113 nan 8.180 nan 0.000 0.399 76 D N 2.295 122.584 120.400 -0.185 0.000 2.365 76 D HA 0.097 4.737 4.640 0.000 0.000 0.237 76 D C 1.246 177.789 176.300 0.406 0.000 1.190 76 D CA 0.106 54.181 54.000 0.125 0.000 0.867 76 D CB 1.742 42.627 40.800 0.142 0.000 1.050 76 D HN 0.211 nan 8.370 nan 0.000 0.491 77 V N 2.451 122.497 119.914 0.220 0.000 3.306 77 V HA -0.030 4.090 4.120 0.000 0.000 0.264 77 V C 2.186 178.429 176.094 0.249 0.000 1.149 77 V CA 0.666 63.058 62.300 0.153 0.000 1.143 77 V CB -0.373 31.170 31.823 -0.466 0.000 0.767 77 V HN 0.397 nan 8.190 nan 0.000 0.476 78 K N 1.546 122.065 120.400 0.198 0.000 2.032 78 K HA -0.204 4.116 4.320 0.000 0.000 0.218 78 K C 0.014 176.703 176.600 0.148 0.000 1.054 78 K CA 2.744 59.130 56.287 0.164 0.000 0.941 78 K CB -1.394 31.174 32.500 0.113 0.000 0.720 78 K HN 0.452 nan 8.250 nan 0.000 0.449 79 P HA -0.166 nan 4.420 nan 0.000 0.215 79 P C 0.744 178.002 177.300 -0.071 0.000 1.157 79 P CA 1.528 64.604 63.100 -0.040 0.000 0.874 79 P CB -0.110 31.494 31.700 -0.160 0.000 0.790 80 Y N -0.472 119.869 120.300 0.067 0.000 2.293 80 Y HA -0.111 4.439 4.550 0.000 0.000 0.291 80 Y C 2.495 178.486 175.900 0.152 0.000 1.137 80 Y CA 1.135 59.279 58.100 0.073 0.000 1.202 80 Y CB -0.796 37.683 38.460 0.032 0.000 0.990 80 Y HN 0.052 nan 8.280 nan 0.000 0.537 81 E N -0.006 120.402 120.200 0.348 0.000 2.072 81 E HA -0.215 4.135 4.350 0.000 0.000 0.190 81 E C 1.870 178.587 176.600 0.195 0.000 0.982 81 E CA 1.026 57.618 56.400 0.321 0.000 0.803 81 E CB 0.049 29.958 29.700 0.349 0.000 0.755 81 E HN 0.319 nan 8.360 nan 0.000 0.453 82 E N 0.918 121.204 120.200 0.142 0.000 2.204 82 E HA -0.105 4.245 4.350 0.000 0.000 0.194 82 E C 1.100 177.744 176.600 0.073 0.000 0.989 82 E CA 0.998 57.455 56.400 0.094 0.000 0.824 82 E CB 0.160 29.899 29.700 0.065 0.000 0.756 82 E HN 0.027 nan 8.360 nan 0.000 0.477 83 K N -1.031 119.410 120.400 0.067 0.000 2.487 83 K HA 0.154 4.474 4.320 0.000 0.000 0.192 83 K C 0.778 177.422 176.600 0.073 0.000 1.027 83 K CA 0.473 56.786 56.287 0.043 0.000 1.054 83 K CB 0.322 32.819 32.500 -0.005 0.000 0.824 83 K HN 0.225 nan 8.250 nan 0.000 0.510 84 G N 1.571 110.435 108.800 0.107 0.000 2.179 84 G HA2 -0.297 3.663 3.960 0.000 0.000 0.257 84 G HA3 -0.297 3.663 3.960 0.000 0.000 0.257 84 G C 0.576 175.545 174.900 0.115 0.000 1.010 84 G CA 0.400 45.566 45.100 0.109 0.000 0.736 84 G HN 0.309 nan 8.290 nan 0.000 0.513 85 M N -1.761 117.941 119.600 0.169 0.000 2.414 85 M HA 0.449 4.929 4.480 0.000 0.000 0.251 85 M C 0.429 176.872 176.300 0.240 0.000 1.116 85 M CA 0.361 55.771 55.300 0.184 0.000 1.056 85 M CB 0.575 33.326 32.600 0.251 0.000 1.388 85 M HN 0.263 nan 8.290 nan 0.000 0.487 86 F N 0.316 120.323 119.950 0.095 0.000 2.588 86 F HA 0.716 5.243 4.527 0.000 0.000 0.310 86 F C -1.522 174.330 175.800 0.088 0.000 1.082 86 F CA -1.145 56.896 58.000 0.068 0.000 0.929 86 F CB 1.350 40.406 39.000 0.093 0.000 1.254 86 F HN -0.194 nan 8.300 nan 0.000 0.455 87 A N 6.098 128.432 122.820 -0.810 0.000 2.486 87 A HA 0.781 5.101 4.320 0.000 0.000 0.300 87 A C -1.669 175.549 177.584 -0.610 0.000 1.048 87 A CA -0.767 50.994 52.037 -0.460 0.000 0.696 87 A CB 1.602 20.423 19.000 -0.299 0.000 1.278 87 A HN 0.633 nan 8.150 nan 0.000 0.405 88 M N 2.321 121.803 119.600 -0.197 0.000 2.268 88 M HA 0.439 4.919 4.480 0.000 0.000 0.344 88 M C -0.862 175.430 176.300 -0.015 0.000 1.106 88 M CA -0.563 54.694 55.300 -0.072 0.000 1.010 88 M CB 1.329 33.961 32.600 0.053 0.000 1.649 88 M HN 0.391 nan 8.290 nan 0.000 0.443 89 V N 2.468 122.351 119.914 -0.052 0.000 2.417 89 V HA 0.238 4.358 4.120 0.000 0.000 0.291 89 V C -0.281 175.786 176.094 -0.045 0.000 1.024 89 V CA -0.798 61.460 62.300 -0.069 0.000 0.861 89 V CB 1.834 33.531 31.823 -0.212 0.000 0.985 89 V HN 0.678 nan 8.190 nan 0.000 0.436 90 D N 4.506 124.878 120.400 -0.047 0.000 2.441 90 D HA 0.486 5.126 4.640 0.000 0.000 0.221 90 D C 0.309 176.614 176.300 0.009 0.000 1.156 90 D CA -0.160 53.822 54.000 -0.031 0.000 0.896 90 D CB 1.440 42.188 40.800 -0.087 0.000 1.028 90 D HN 0.657 nan 8.370 nan 0.000 0.509 91 A N 3.781 126.648 122.820 0.079 0.000 2.705 91 A HA 0.203 4.523 4.320 0.000 0.000 0.294 91 A C 0.276 177.964 177.584 0.172 0.000 1.039 91 A CA -0.576 51.532 52.037 0.117 0.000 1.005 91 A CB -0.454 18.668 19.000 0.203 0.000 1.192 91 A HN 0.522 nan 8.150 nan 0.000 0.513 92 F N -0.566 119.397 119.950 0.021 0.000 2.480 92 F HA 0.107 4.634 4.527 0.000 0.000 0.280 92 F C 1.937 177.764 175.800 0.045 0.000 1.002 92 F CA 1.777 59.801 58.000 0.040 0.000 1.325 92 F CB -0.089 38.946 39.000 0.059 0.000 1.134 92 F HN 0.111 nan 8.300 nan 0.000 0.646 93 T N 1.347 115.814 114.554 -0.145 0.000 2.665 93 T HA -0.203 4.147 4.350 0.000 0.000 0.268 93 T C 2.110 176.674 174.700 -0.227 0.000 1.035 93 T CA 1.806 63.759 62.100 -0.244 0.000 1.151 93 T CB -0.952 67.930 68.868 0.024 0.000 0.862 93 T HN 0.359 nan 8.240 nan 0.000 0.438 94 A N 0.863 123.608 122.820 -0.124 0.000 2.234 94 A HA 0.136 4.456 4.320 0.000 0.000 0.216 94 A C 2.344 179.869 177.584 -0.097 0.000 1.167 94 A CA 1.563 53.552 52.037 -0.080 0.000 0.698 94 A CB -0.892 18.093 19.000 -0.025 0.000 0.779 94 A HN 0.546 nan 8.150 nan 0.000 0.475 95 G N -0.263 108.434 108.800 -0.171 0.000 2.662 95 G HA2 0.209 4.169 3.960 0.000 0.000 0.212 95 G HA3 0.209 4.169 3.960 0.000 0.000 0.212 95 G C 1.318 176.111 174.900 -0.178 0.000 1.141 95 G CA 0.873 45.879 45.100 -0.155 0.000 0.797 95 G HN 0.737 nan 8.290 nan 0.000 0.531 96 I N -3.407 117.007 120.570 -0.260 0.000 3.812 96 I HA 0.583 4.753 4.170 0.000 0.000 0.292 96 I C 0.906 176.942 176.117 -0.135 0.000 1.206 96 I CA 0.212 61.392 61.300 -0.201 0.000 1.370 96 I CB 0.847 38.684 38.000 -0.273 0.000 1.328 96 I HN 0.031 nan 8.210 nan 0.000 0.453 102 Y N 1.090 121.436 120.300 0.077 0.000 2.446 102 Y HA 0.672 5.222 4.550 -0.000 0.000 0.338 102 Y C -1.146 174.807 175.900 0.087 0.000 1.055 102 Y CA -0.539 57.602 58.100 0.069 0.000 1.101 102 Y CB 2.096 40.580 38.460 0.040 0.000 1.221 102 Y HN 0.663 nan 8.280 nan 0.000 0.460 103 E N 3.995 123.603 120.200 -0.986 0.000 2.291 103 E HA 0.238 4.588 4.350 0.000 0.000 0.276 103 E C -0.105 175.894 176.600 -1.001 0.000 0.896 103 E CA -0.546 55.424 56.400 -0.718 0.000 0.774 103 E CB 1.760 31.278 29.700 -0.303 0.000 1.227 103 E HN 0.682 nan 8.360 nan 0.000 0.413 104 K N 2.592 122.558 120.400 -0.722 0.000 2.020 104 K HA -0.099 4.221 4.320 0.000 0.000 0.212 104 K C -0.259 175.976 176.600 -0.608 0.000 1.050 104 K CA 1.439 57.366 56.287 -0.599 0.000 0.929 104 K CB -0.015 32.155 32.500 -0.549 0.000 0.714 104 K HN 0.473 nan 8.250 nan 0.000 0.443 105 Y N 0.342 120.540 120.300 -0.171 0.000 2.331 105 Y HA 0.438 4.988 4.550 -0.000 0.000 0.338 105 Y C -0.134 175.671 175.900 -0.158 0.000 0.976 105 Y CA -0.830 57.189 58.100 -0.135 0.000 1.137 105 Y CB 1.169 39.547 38.460 -0.137 0.000 1.172 105 Y HN 0.027 nan 8.280 nan 0.000 0.478 106 I N 3.113 123.680 120.570 -0.004 0.000 2.722 106 I HA 0.606 4.776 4.170 0.000 0.000 0.295 106 I C -1.735 174.353 176.117 -0.048 0.000 1.161 106 I CA -1.060 60.186 61.300 -0.090 0.000 1.032 106 I CB 1.750 39.617 38.000 -0.221 0.000 1.244 106 I HN 0.288 nan 8.210 nan 0.000 0.421 107 V N 7.287 127.164 119.914 -0.061 0.000 2.311 107 V HA 0.330 4.450 4.120 0.000 0.000 0.275 107 V C 0.868 176.970 176.094 0.014 0.000 1.022 107 V CA -0.406 61.913 62.300 0.032 0.000 0.830 107 V CB 0.815 32.674 31.823 0.060 0.000 1.012 107 V HN 0.772 nan 8.190 nan 0.000 0.452 108 H N 2.185 121.277 119.070 0.037 0.000 2.395 108 H HA 0.005 4.561 4.556 0.000 0.000 0.299 108 H C 0.339 175.684 175.328 0.029 0.000 1.070 108 H CA 1.276 57.342 56.048 0.030 0.000 1.356 108 H CB 0.646 30.424 29.762 0.027 0.000 1.401 108 H HN 0.656 nan 8.280 nan 0.000 0.524 109 D N -0.217 120.285 120.400 0.170 0.000 2.492 109 D HA 0.188 4.828 4.640 0.000 0.000 0.248 109 D C 0.142 176.496 176.300 0.091 0.000 1.101 109 D CA -0.365 53.696 54.000 0.102 0.000 0.840 109 D CB 1.456 42.306 40.800 0.083 0.000 1.209 109 D HN -0.025 nan 8.370 nan 0.000 0.524 110 L N 3.068 124.326 121.223 0.058 0.000 2.693 110 L HA 0.108 4.448 4.340 0.000 0.000 0.235 110 L C 1.857 178.732 176.870 0.009 0.000 1.127 110 L CA -0.051 54.813 54.840 0.040 0.000 0.914 110 L CB 0.102 42.172 42.059 0.017 0.000 1.193 110 L HN 0.526 nan 8.230 nan 0.000 0.502 111 T N 0.970 115.534 114.554 0.018 0.000 2.684 111 T HA -0.204 4.146 4.350 0.000 0.000 0.267 111 T C 0.214 174.917 174.700 0.004 0.000 1.032 111 T CA 2.137 64.242 62.100 0.009 0.000 1.155 111 T CB -0.260 68.618 68.868 0.017 0.000 0.857 111 T HN 0.687 nan 8.240 nan 0.000 0.457 112 D N -1.257 119.150 120.400 0.012 0.000 2.663 112 D HA 0.237 4.877 4.640 0.000 0.000 0.233 112 D C 0.635 176.948 176.300 0.022 0.000 1.240 112 D CA -0.822 53.182 54.000 0.005 0.000 0.774 112 D CB 0.482 41.289 40.800 0.013 0.000 1.443 112 D HN 0.009 nan 8.370 nan 0.000 0.441 113 I N -0.912 119.657 120.570 -0.002 0.000 3.334 113 I HA 0.078 4.248 4.170 0.000 0.000 0.282 113 I C 1.590 177.779 176.117 0.120 0.000 1.313 113 I CA 0.468 61.782 61.300 0.023 0.000 1.396 113 I CB -1.088 36.868 38.000 -0.073 0.000 1.054 113 I HN 0.616 nan 8.210 nan 0.000 0.495 114 R N 1.672 122.223 120.500 0.085 0.000 2.083 114 R HA -0.212 4.128 4.340 0.000 0.000 0.237 114 R C 2.312 178.676 176.300 0.107 0.000 1.137 114 R CA 2.085 58.237 56.100 0.085 0.000 0.951 114 R CB -0.179 30.154 30.300 0.056 0.000 0.851 114 R HN 0.591 nan 8.270 nan 0.000 0.434 115 E N -0.590 119.677 120.200 0.113 0.000 2.106 115 E HA -0.213 4.137 4.350 0.000 0.000 0.192 115 E C 1.770 178.452 176.600 0.137 0.000 0.984 115 E CA 0.987 57.453 56.400 0.110 0.000 0.806 115 E CB -0.173 29.592 29.700 0.108 0.000 0.750 115 E HN 0.334 nan 8.360 nan 0.000 0.458 116 F N 1.536 121.495 119.950 0.016 0.000 2.091 116 F HA -0.221 4.306 4.527 -0.000 0.000 0.299 116 F C 1.989 177.785 175.800 -0.006 0.000 1.103 116 F CA 1.732 59.732 58.000 -0.001 0.000 1.228 116 F CB -0.202 38.785 39.000 -0.022 0.000 0.984 116 F HN 0.001 nan 8.300 nan 0.000 0.477 117 I N -0.008 120.739 120.570 0.295 0.000 2.226 117 I HA -0.263 3.907 4.170 0.000 0.000 0.245 117 I C 2.378 178.519 176.117 0.040 0.000 1.100 117 I CA 1.634 63.035 61.300 0.169 0.000 1.374 117 I CB -0.518 37.577 38.000 0.158 0.000 1.057 117 I HN 0.182 nan 8.210 nan 0.000 0.413 118 E N 1.020 121.246 120.200 0.043 0.000 2.051 118 E HA -0.166 4.184 4.350 0.000 0.000 0.192 118 E C 2.133 178.727 176.600 -0.009 0.000 0.991 118 E CA 1.485 57.898 56.400 0.022 0.000 0.799 118 E CB -0.280 29.442 29.700 0.038 0.000 0.748 118 E HN 0.241 nan 8.360 nan 0.000 0.449 119 V N 0.820 120.713 119.914 -0.035 0.000 2.407 119 V HA -0.215 3.905 4.120 0.000 0.000 0.248 119 V C 2.411 178.406 176.094 -0.164 0.000 1.055 119 V CA 1.592 63.861 62.300 -0.051 0.000 1.049 119 V CB -0.590 31.194 31.823 -0.065 0.000 0.662 119 V HN 0.311 nan 8.190 nan 0.000 0.455 120 L N 0.334 121.407 121.223 -0.249 0.000 2.056 120 L HA -0.117 4.223 4.340 0.000 0.000 0.207 120 L C 2.541 179.307 176.870 -0.174 0.000 1.078 120 L CA 1.871 56.543 54.840 -0.280 0.000 0.749 120 L CB -0.719 41.182 42.059 -0.263 0.000 0.901 120 L HN 0.166 nan 8.230 nan 0.000 0.433 121 R N -1.002 119.444 120.500 -0.091 0.000 2.096 121 R HA -0.209 4.131 4.340 0.000 0.000 0.235 121 R C 2.315 178.581 176.300 -0.057 0.000 1.127 121 R CA 1.528 57.598 56.100 -0.051 0.000 0.968 121 R CB -0.348 29.946 30.300 -0.011 0.000 0.861 121 R HN 0.416 nan 8.270 nan 0.000 0.440 122 Q N 0.470 120.243 119.800 -0.046 0.000 2.050 122 Q HA -0.090 4.250 4.340 0.000 0.000 0.202 122 Q C 1.952 177.912 176.000 -0.066 0.000 0.980 122 Q CA 2.030 57.839 55.803 0.010 0.000 0.840 122 Q CB -0.216 28.592 28.738 0.116 0.000 0.898 122 Q HN 0.350 nan 8.270 nan 0.000 0.424 123 A N -0.015 122.601 122.820 -0.339 0.000 1.902 123 A HA -0.140 4.180 4.320 0.000 0.000 0.217 123 A C 2.100 179.495 177.584 -0.314 0.000 1.181 123 A CA 1.447 53.079 52.037 -0.675 0.000 0.623 123 A CB -0.720 17.659 19.000 -1.035 0.000 0.818 123 A HN 0.465 nan 8.150 nan 0.000 0.443 124 I N -1.228 119.215 120.570 -0.212 0.000 2.142 124 I HA -0.255 3.915 4.170 0.000 0.000 0.240 124 I C 2.737 178.811 176.117 -0.071 0.000 1.078 124 I CA 1.672 62.898 61.300 -0.123 0.000 1.343 124 I CB -0.386 37.565 38.000 -0.082 0.000 1.046 124 I HN 0.336 nan 8.210 nan 0.000 0.405 125 R N 0.958 121.430 120.500 -0.047 0.000 2.094 125 R HA -0.228 4.112 4.340 0.000 0.000 0.239 125 R C 1.958 178.258 176.300 0.001 0.000 1.137 125 R CA 2.272 58.364 56.100 -0.013 0.000 0.943 125 R CB -0.286 30.015 30.300 0.002 0.000 0.850 125 R HN 0.322 nan 8.270 nan 0.000 0.433 126 D N 0.216 120.625 120.400 0.015 0.000 2.182 126 D HA -0.169 4.471 4.640 0.000 0.000 0.201 126 D C 1.618 177.941 176.300 0.039 0.000 0.986 126 D CA 1.707 55.742 54.000 0.057 0.000 0.847 126 D CB -0.022 40.871 40.800 0.155 0.000 0.942 126 D HN 0.577 nan 8.370 nan 0.000 0.467 127 I N -4.027 116.542 120.570 -0.000 0.000 4.081 127 I HA 0.222 4.392 4.170 0.000 0.000 0.333 127 I C -0.470 175.641 176.117 -0.009 0.000 1.413 127 I CA -0.326 60.976 61.300 0.003 0.000 1.110 127 I CB 0.221 38.214 38.000 -0.012 0.000 1.082 127 I HN -0.304 nan 8.210 nan 0.000 0.402 128 N N 2.517 121.208 118.700 -0.015 0.000 2.714 128 N HA -0.190 4.550 4.740 0.000 0.000 0.252 128 N C 0.513 176.007 175.510 -0.026 0.000 1.014 128 N CA 0.990 54.031 53.050 -0.017 0.000 0.735 128 N CB -0.952 37.532 38.487 -0.006 0.000 0.924 128 N HN 0.746 nan 8.380 nan 0.000 0.540 129 A N 0.158 122.952 122.820 -0.044 0.000 2.520 129 A HA 0.120 4.440 4.320 0.000 0.000 0.235 129 A C 1.369 178.929 177.584 -0.040 0.000 1.065 129 A CA 0.535 52.540 52.037 -0.054 0.000 0.764 129 A CB 0.529 19.480 19.000 -0.083 0.000 1.002 129 A HN 0.213 nan 8.150 nan 0.000 0.502 130 K N 0.586 120.958 120.400 -0.046 0.000 2.436 130 K HA 0.137 4.457 4.320 0.000 0.000 0.198 130 K C 0.273 176.857 176.600 -0.026 0.000 1.174 130 K CA 0.725 56.991 56.287 -0.036 0.000 0.951 130 K CB 0.474 32.944 32.500 -0.049 0.000 1.040 130 K HN 0.754 nan 8.250 nan 0.000 0.536 131 R N 0.605 121.070 120.500 -0.059 0.000 2.670 131 R HA 0.594 4.934 4.340 0.000 0.000 0.289 131 R C -0.958 175.359 176.300 0.028 0.000 0.965 131 R CA -0.663 55.414 56.100 -0.038 0.000 0.899 131 R CB 2.509 32.600 30.300 -0.349 0.000 1.173 131 R HN -0.265 nan 8.270 nan 0.000 0.456 132 V N 2.543 122.556 119.914 0.164 0.000 2.808 132 V HA 0.418 4.538 4.120 0.000 0.000 0.308 132 V C -0.801 175.443 176.094 0.250 0.000 1.099 132 V CA -0.840 61.549 62.300 0.147 0.000 0.920 132 V CB 2.472 34.359 31.823 0.107 0.000 1.014 132 V HN 0.447 nan 8.190 nan 0.000 0.425 133 V N 4.474 124.490 119.914 0.171 0.000 2.540 133 V HA 0.539 4.659 4.120 0.000 0.000 0.302 133 V C -0.545 175.509 176.094 -0.067 0.000 1.035 133 V CA -0.597 61.779 62.300 0.126 0.000 0.873 133 V CB 2.245 34.155 31.823 0.145 0.000 0.992 133 V HN 0.605 nan 8.190 nan 0.000 0.428 134 V N 3.453 123.361 119.914 -0.009 0.000 2.266 134 V HA 0.386 4.506 4.120 0.000 0.000 0.271 134 V C -0.681 175.315 176.094 -0.164 0.000 1.032 134 V CA -0.374 61.851 62.300 -0.125 0.000 0.806 134 V CB 1.316 33.024 31.823 -0.192 0.000 1.052 134 V HN 0.878 nan 8.190 nan 0.000 0.449 135 D N 3.245 123.484 120.400 -0.269 0.000 2.472 135 D HA 0.469 5.109 4.640 0.000 0.000 0.234 135 D C -0.243 176.010 176.300 -0.079 0.000 1.088 135 D CA 0.307 54.213 54.000 -0.156 0.000 0.882 135 D CB 1.554 42.254 40.800 -0.167 0.000 1.037 135 D HN 0.535 nan 8.370 nan 0.000 0.520 136 S N 2.371 118.029 115.700 -0.071 0.000 2.548 136 S HA 0.269 4.739 4.470 0.000 0.000 0.286 136 S C 0.734 175.207 174.600 -0.211 0.000 1.098 136 S CA -0.739 57.394 58.200 -0.112 0.000 0.930 136 S CB 1.784 64.942 63.200 -0.070 0.000 1.070 136 S HN 0.107 nan 8.310 nan 0.000 0.480 137 V N 4.063 123.817 119.914 -0.267 0.000 2.759 137 V HA -0.052 4.068 4.120 0.000 0.000 0.256 137 V C 2.081 177.794 176.094 -0.635 0.000 1.080 137 V CA 2.746 64.790 62.300 -0.427 0.000 1.101 137 V CB -1.084 30.478 31.823 -0.435 0.000 0.698 137 V HN 1.066 nan 8.190 nan 0.000 0.477 138 T N -0.328 113.921 114.554 -0.508 0.000 2.803 138 T HA -0.186 4.164 4.350 0.000 0.000 0.269 138 T C 1.788 176.056 174.700 -0.721 0.000 1.052 138 T CA 2.060 63.751 62.100 -0.683 0.000 1.136 138 T CB -0.402 68.329 68.868 -0.229 0.000 0.864 138 T HN 0.590 nan 8.240 nan 0.000 0.467 139 T N 2.296 116.582 114.554 -0.447 0.000 2.867 139 T HA 0.092 4.442 4.350 0.000 0.000 0.268 139 T C 1.847 176.338 174.700 -0.348 0.000 1.057 139 T CA 0.645 62.564 62.100 -0.301 0.000 1.136 139 T CB -0.358 68.414 68.868 -0.160 0.000 0.874 139 T HN 0.321 nan 8.240 nan 0.000 0.466 140 L N 0.506 121.431 121.223 -0.497 0.000 2.353 140 L HA -0.063 4.277 4.340 0.000 0.000 0.220 140 L C 1.566 178.291 176.870 -0.242 0.000 1.133 140 L CA 1.143 55.745 54.840 -0.396 0.000 0.798 140 L CB -0.290 41.483 42.059 -0.476 0.000 0.922 140 L HN 0.550 nan 8.230 nan 0.000 0.445 141 Y N -5.625 114.604 120.300 -0.119 0.000 2.767 141 Y HA 0.296 4.846 4.550 -0.000 0.000 0.254 141 Y C 1.394 177.257 175.900 -0.061 0.000 1.133 141 Y CA -1.228 56.820 58.100 -0.087 0.000 1.225 141 Y CB -0.914 37.493 38.460 -0.088 0.000 1.312 141 Y HN -0.163 nan 8.280 nan 0.000 0.560 142 I N 2.151 122.695 120.570 -0.045 0.000 2.381 142 I HA -0.290 3.880 4.170 0.000 0.000 0.255 142 I C 1.029 177.174 176.117 0.046 0.000 1.140 142 I CA 1.734 63.042 61.300 0.014 0.000 1.404 142 I CB -0.197 37.766 38.000 -0.062 0.000 1.075 142 I HN 0.386 nan 8.210 nan 0.000 0.433 143 N N 0.665 119.384 118.700 0.032 0.000 2.236 143 N HA 0.070 4.810 4.740 0.000 0.000 0.196 143 N C -0.003 175.526 175.510 0.033 0.000 1.114 143 N CA 0.250 53.315 53.050 0.024 0.000 0.859 143 N CB 0.201 38.691 38.487 0.005 0.000 0.982 143 N HN 0.558 nan 8.380 nan 0.000 0.493 144 K N 0.218 120.655 120.400 0.060 0.000 3.029 144 K HA 0.346 4.666 4.320 0.000 0.000 0.169 144 K C -2.324 174.305 176.600 0.049 0.000 1.090 144 K CA -1.108 55.206 56.287 0.044 0.000 0.883 144 K CB 1.673 34.193 32.500 0.033 0.000 1.080 144 K HN -0.239 nan 8.250 nan 0.000 0.613 145 P HA -0.240 nan 4.420 nan 0.000 0.219 145 P C 1.140 178.375 177.300 -0.109 0.000 1.146 145 P CA 1.455 64.531 63.100 -0.042 0.000 0.808 145 P CB 0.317 32.006 31.700 -0.018 0.000 0.779 146 A N -0.753 122.029 122.820 -0.064 0.000 2.121 146 A HA -0.056 4.264 4.320 0.000 0.000 0.218 146 A C 2.105 179.639 177.584 -0.083 0.000 1.154 146 A CA 1.225 53.221 52.037 -0.070 0.000 0.679 146 A CB -0.951 18.024 19.000 -0.042 0.000 0.795 146 A HN 0.062 nan 8.150 nan 0.000 0.458 147 M N -1.176 118.376 119.600 -0.079 0.000 2.510 147 M HA 0.177 4.657 4.480 0.000 0.000 0.256 147 M C 2.341 178.556 176.300 -0.142 0.000 1.132 147 M CA 0.815 56.073 55.300 -0.070 0.000 1.105 147 M CB -1.293 31.298 32.600 -0.015 0.000 1.375 147 M HN 0.440 nan 8.290 nan 0.000 0.477 148 A N 1.164 123.786 122.820 -0.330 0.000 1.884 148 A HA -0.257 4.063 4.320 0.000 0.000 0.219 148 A C 2.379 179.734 177.584 -0.383 0.000 1.197 148 A CA 2.382 53.965 52.037 -0.756 0.000 0.637 148 A CB -0.838 17.386 19.000 -1.293 0.000 0.827 148 A HN 0.486 nan 8.150 nan 0.000 0.450 149 R N 0.052 120.404 120.500 -0.247 0.000 2.097 149 R HA -0.189 4.151 4.340 0.000 0.000 0.236 149 R C 2.583 178.842 176.300 -0.068 0.000 1.135 149 R CA 2.552 58.575 56.100 -0.128 0.000 0.934 149 R CB -0.457 29.787 30.300 -0.094 0.000 0.846 149 R HN 0.683 nan 8.270 nan 0.000 0.431 150 S N 0.274 115.938 115.700 -0.060 0.000 2.383 150 S HA -0.160 4.310 4.470 0.000 0.000 0.229 150 S C 2.119 176.713 174.600 -0.010 0.000 1.030 150 S CA 1.437 59.621 58.200 -0.026 0.000 1.002 150 S CB -0.580 62.605 63.200 -0.024 0.000 0.829 150 S HN 0.401 nan 8.310 nan 0.000 0.467 151 I N 1.294 121.851 120.570 -0.022 0.000 2.142 151 I HA -0.144 4.026 4.170 0.000 0.000 0.240 151 I C 2.415 178.551 176.117 0.031 0.000 1.078 151 I CA 1.130 62.428 61.300 -0.004 0.000 1.343 151 I CB -0.389 37.623 38.000 0.021 0.000 1.046 151 I HN 0.268 nan 8.210 nan 0.000 0.405 152 I N 0.709 121.311 120.570 0.053 0.000 2.163 152 I HA -0.286 3.884 4.170 0.000 0.000 0.243 152 I C 2.546 178.758 176.117 0.159 0.000 1.085 152 I CA 1.872 63.267 61.300 0.159 0.000 1.347 152 I CB -1.003 37.081 38.000 0.140 0.000 1.044 152 I HN 0.268 nan 8.210 nan 0.000 0.408 153 L N -0.219 121.051 121.223 0.079 0.000 2.093 153 L HA -0.223 4.117 4.340 0.000 0.000 0.208 153 L C 2.634 179.547 176.870 0.071 0.000 1.085 153 L CA 1.204 56.083 54.840 0.064 0.000 0.755 153 L CB -0.575 41.503 42.059 0.032 0.000 0.904 153 L HN 0.328 nan 8.230 nan 0.000 0.435 154 Q N -0.071 119.767 119.800 0.064 0.000 2.046 154 Q HA -0.168 4.172 4.340 0.000 0.000 0.200 154 Q C 2.394 178.453 176.000 0.099 0.000 0.975 154 Q CA 1.263 57.105 55.803 0.065 0.000 0.836 154 Q CB -0.089 28.676 28.738 0.046 0.000 0.896 154 Q HN 0.505 nan 8.270 nan 0.000 0.428 155 L N 0.771 122.075 121.223 0.135 0.000 2.056 155 L HA -0.199 4.141 4.340 0.000 0.000 0.207 155 L C 2.594 179.613 176.870 0.249 0.000 1.078 155 L CA 1.218 56.184 54.840 0.209 0.000 0.749 155 L CB -0.509 41.681 42.059 0.219 0.000 0.901 155 L HN 0.204 nan 8.230 nan 0.000 0.433 156 K N 0.748 121.290 120.400 0.237 0.000 2.044 156 K HA -0.276 4.044 4.320 0.000 0.000 0.210 156 K C 2.338 178.982 176.600 0.074 0.000 1.049 156 K CA 1.820 58.178 56.287 0.119 0.000 0.927 156 K CB -0.116 32.421 32.500 0.062 0.000 0.713 156 K HN 0.117 nan 8.250 nan 0.000 0.443 157 R N 0.274 120.818 120.500 0.072 0.000 2.092 157 R HA -0.080 4.260 4.340 0.000 0.000 0.231 157 R C 2.098 178.431 176.300 0.054 0.000 1.119 157 R CA 1.247 57.378 56.100 0.050 0.000 0.970 157 R CB -0.050 30.276 30.300 0.044 0.000 0.864 157 R HN 0.098 nan 8.270 nan 0.000 0.440 158 V N 1.241 121.200 119.914 0.075 0.000 2.307 158 V HA -0.240 3.880 4.120 0.000 0.000 0.245 158 V C 2.333 178.465 176.094 0.063 0.000 1.045 158 V CA 1.666 64.008 62.300 0.069 0.000 1.024 158 V CB -0.362 31.514 31.823 0.089 0.000 0.651 158 V HN 0.328 nan 8.190 nan 0.000 0.449 159 L N 0.020 121.295 121.223 0.086 0.000 2.027 159 L HA -0.132 4.208 4.340 0.000 0.000 0.206 159 L C 2.734 179.627 176.870 0.038 0.000 1.074 159 L CA 1.618 56.501 54.840 0.071 0.000 0.745 159 L CB -0.832 41.291 42.059 0.107 0.000 0.898 159 L HN 0.355 nan 8.230 nan 0.000 0.433 160 A N 0.364 123.202 122.820 0.028 0.000 1.898 160 A HA -0.101 4.219 4.320 0.000 0.000 0.216 160 A C 2.380 179.973 177.584 0.014 0.000 1.181 160 A CA 1.595 53.640 52.037 0.012 0.000 0.620 160 A CB -1.265 17.738 19.000 0.004 0.000 0.819 160 A HN 0.437 nan 8.150 nan 0.000 0.442 161 G N -0.655 108.157 108.800 0.020 0.000 2.470 161 G HA2 -0.131 3.829 3.960 0.000 0.000 0.220 161 G HA3 -0.131 3.829 3.960 0.000 0.000 0.220 161 G C 1.454 176.363 174.900 0.014 0.000 1.121 161 G CA 1.792 46.902 45.100 0.017 0.000 0.766 161 G HN 0.740 nan 8.290 nan 0.000 0.553 162 T N -3.340 111.223 114.554 0.015 0.000 3.086 162 T HA 0.410 4.760 4.350 0.000 0.000 0.250 162 T C 1.741 176.444 174.700 0.006 0.000 1.074 162 T CA 0.840 62.946 62.100 0.009 0.000 0.988 162 T CB 0.300 69.172 68.868 0.007 0.000 0.988 162 T HN 1.235 nan 8.240 nan 0.000 0.530 163 G N 0.464 109.269 108.800 0.008 0.000 2.143 163 G HA2 -0.249 3.711 3.960 0.000 0.000 0.249 163 G HA3 -0.249 3.711 3.960 0.000 0.000 0.249 163 G C 0.221 175.126 174.900 0.008 0.000 0.981 163 G CA -0.199 44.904 45.100 0.006 0.000 0.665 163 G HN 0.722 nan 8.290 nan 0.000 0.528 164 C N 0.435 119.744 119.300 0.014 0.000 2.443 164 C HA 0.781 5.241 4.460 0.000 0.000 0.369 164 C C 0.847 175.857 174.990 0.034 0.000 1.241 164 C CA 0.028 59.061 59.018 0.025 0.000 2.413 164 C CB 1.247 29.007 27.740 0.032 0.000 2.451 164 C HN 0.494 nan 8.230 nan 0.000 0.595 165 T N 2.300 116.894 114.554 0.067 0.000 2.812 165 T HA 0.549 4.899 4.350 0.000 0.000 0.282 165 T C -0.469 174.320 174.700 0.149 0.000 0.990 165 T CA -0.165 61.984 62.100 0.081 0.000 0.960 165 T CB 1.225 70.164 68.868 0.119 0.000 0.948 165 T HN 0.745 nan 8.240 nan 0.000 0.438 166 S N 2.383 118.102 115.700 0.031 0.000 2.634 166 S HA 0.724 5.194 4.470 0.000 0.000 0.296 166 S C -0.730 173.790 174.600 -0.133 0.000 1.104 166 S CA -0.872 57.352 58.200 0.041 0.000 0.920 166 S CB 1.393 64.618 63.200 0.043 0.000 1.111 166 S HN 0.582 nan 8.310 nan 0.000 0.493 167 I N 2.217 122.777 120.570 -0.017 0.000 2.418 167 I HA 0.382 4.552 4.170 0.000 0.000 0.287 167 I C -1.486 174.762 176.117 0.217 0.000 1.008 167 I CA -0.459 60.794 61.300 -0.078 0.000 1.104 167 I CB 1.186 39.098 38.000 -0.147 0.000 1.264 167 I HN 0.423 nan 8.210 nan 0.000 0.438 168 F N 5.990 125.899 119.950 -0.068 0.000 2.385 168 F HA 0.354 4.881 4.527 0.000 0.000 0.360 168 F C 0.293 176.052 175.800 -0.069 0.000 1.122 168 F CA -1.115 56.855 58.000 -0.050 0.000 1.090 168 F CB 1.487 40.470 39.000 -0.028 0.000 1.150 168 F HN -0.021 nan 8.300 nan 0.000 0.472 169 V N 2.914 122.886 119.914 0.097 0.000 2.488 169 V HA 0.260 4.380 4.120 0.000 0.000 0.277 169 V C 0.307 176.405 176.094 0.008 0.000 1.046 169 V CA -0.233 62.082 62.300 0.024 0.000 0.986 169 V CB 1.314 33.145 31.823 0.012 0.000 0.989 169 V HN 0.755 nan 8.190 nan 0.000 0.475 170 S N 4.904 120.607 115.700 0.004 0.000 2.566 170 S HA 0.407 4.877 4.470 0.000 0.000 0.324 170 S C -0.417 174.179 174.600 -0.007 0.000 1.081 170 S CA -0.787 57.416 58.200 0.006 0.000 1.105 170 S CB 0.713 63.930 63.200 0.028 0.000 0.981 170 S HN 0.786 nan 8.310 nan 0.000 0.464 171 Q N 3.134 122.927 119.800 -0.012 0.000 2.294 171 Q HA 0.439 4.779 4.340 0.000 0.000 0.257 171 Q C -0.075 175.925 176.000 -0.000 0.000 0.955 171 Q CA -0.667 55.133 55.803 -0.004 0.000 0.936 171 Q CB 1.301 30.035 28.738 -0.006 0.000 1.188 171 Q HN 0.600 nan 8.270 nan 0.000 0.420 172 V N -0.299 119.615 119.914 -0.001 0.000 2.667 172 V HA 0.755 4.875 4.120 0.000 0.000 0.308 172 V C -0.328 175.766 176.094 0.000 0.000 1.048 172 V CA -0.540 61.758 62.300 -0.004 0.000 0.928 172 V CB 1.967 33.780 31.823 -0.018 0.000 1.004 172 V HN 0.702 nan 8.190 nan 0.000 0.444 184 V N 1.786 121.679 119.914 -0.036 0.000 2.261 184 V HA -0.163 3.957 4.120 0.000 0.000 0.246 184 V C 2.774 178.881 176.094 0.021 0.000 1.047 184 V CA 2.711 64.995 62.300 -0.026 0.000 1.015 184 V CB -0.281 31.507 31.823 -0.057 0.000 0.642 184 V HN 0.711 nan 8.190 nan 0.000 0.446 185 E N -0.407 119.801 120.200 0.014 0.000 2.268 185 E HA -0.277 4.073 4.350 0.000 0.000 0.195 185 E C 1.875 178.445 176.600 -0.049 0.000 0.995 185 E CA 1.769 58.154 56.400 -0.026 0.000 0.836 185 E CB -0.423 29.239 29.700 -0.063 0.000 0.763 185 E HN 0.729 nan 8.360 nan 0.000 0.491 186 H N 0.151 119.207 119.070 -0.024 0.000 2.512 186 H HA 0.131 4.687 4.556 0.000 0.000 0.279 186 H C 2.109 177.430 175.328 -0.012 0.000 0.999 186 H CA 1.229 57.270 56.048 -0.012 0.000 1.283 186 H CB 0.283 30.037 29.762 -0.013 0.000 1.421 186 H HN 0.334 nan 8.280 nan 0.000 0.554 187 G N 0.525 109.373 108.800 0.081 0.000 2.408 187 G HA2 -0.070 3.890 3.960 0.000 0.000 0.215 187 G HA3 -0.070 3.890 3.960 0.000 0.000 0.215 187 G C 0.615 175.520 174.900 0.008 0.000 1.156 187 G CA 0.668 45.796 45.100 0.045 0.000 0.793 187 G HN 0.285 nan 8.290 nan 0.000 0.535 188 V N -1.704 118.200 119.914 -0.016 0.000 3.185 188 V HA 0.289 4.409 4.120 0.000 0.000 0.305 188 V C 0.756 176.799 176.094 -0.085 0.000 1.090 188 V CA -0.130 62.123 62.300 -0.077 0.000 1.107 188 V CB 1.140 32.901 31.823 -0.102 0.000 1.061 188 V HN 0.116 nan 8.190 nan 0.000 0.480 189 D N 1.917 122.247 120.400 -0.117 0.000 2.183 189 D HA 0.178 4.818 4.640 0.000 0.000 0.205 189 D C 0.823 177.065 176.300 -0.097 0.000 0.962 189 D CA 1.704 55.649 54.000 -0.092 0.000 0.849 189 D CB 0.359 41.102 40.800 -0.096 0.000 0.978 189 D HN 0.861 nan 8.370 nan 0.000 0.488 190 G N -0.025 108.698 108.800 -0.128 0.000 2.569 190 G HA2 0.657 4.617 3.960 0.000 0.000 0.300 190 G HA3 0.657 4.617 3.960 0.000 0.000 0.300 190 G C -1.119 173.704 174.900 -0.128 0.000 1.269 190 G CA -0.511 44.509 45.100 -0.132 0.000 0.959 190 G HN 0.007 nan 8.290 nan 0.000 0.478 191 I N 0.967 121.470 120.570 -0.112 0.000 2.534 191 I HA 0.337 4.507 4.170 0.000 0.000 0.286 191 I C -0.982 175.087 176.117 -0.079 0.000 1.094 191 I CA -0.394 60.857 61.300 -0.083 0.000 1.055 191 I CB 2.135 40.122 38.000 -0.021 0.000 1.225 191 I HN 0.186 nan 8.210 nan 0.000 0.435 192 I N 5.479 125.969 120.570 -0.133 0.000 2.389 192 I HA 0.441 4.611 4.170 0.000 0.000 0.288 192 I C -0.252 175.780 176.117 -0.141 0.000 0.999 192 I CA -0.743 60.469 61.300 -0.148 0.000 1.129 192 I CB 1.892 39.733 38.000 -0.264 0.000 1.288 192 I HN 0.452 nan 8.210 nan 0.000 0.444 193 R N 7.263 127.733 120.500 -0.050 0.000 2.346 193 R HA 0.625 4.965 4.340 0.000 0.000 0.311 193 R C -1.718 174.576 176.300 -0.010 0.000 0.983 193 R CA -0.296 55.783 56.100 -0.035 0.000 0.880 193 R CB 0.782 31.091 30.300 0.016 0.000 1.100 193 R HN 0.598 nan 8.270 nan 0.000 0.453 194 L N 4.123 125.337 121.223 -0.015 0.000 2.296 194 L HA 0.504 4.844 4.340 0.000 0.000 0.286 194 L C -0.385 176.571 176.870 0.143 0.000 1.023 194 L CA -0.707 54.192 54.840 0.098 0.000 0.812 194 L CB 1.805 43.898 42.059 0.057 0.000 1.223 194 L HN 0.591 nan 8.230 nan 0.000 0.421 195 D N 3.052 123.574 120.400 0.203 0.000 2.419 195 D HA 0.577 5.217 4.640 0.000 0.000 0.234 195 D C -1.110 175.247 176.300 0.096 0.000 1.014 195 D CA -0.420 53.654 54.000 0.124 0.000 0.919 195 D CB 3.423 44.283 40.800 0.101 0.000 1.366 195 D HN 0.136 nan 8.370 nan 0.000 0.490 196 L N 1.818 123.071 121.223 0.049 0.000 2.518 196 L HA 0.321 4.661 4.340 0.000 0.000 0.262 196 L C -1.617 175.260 176.870 0.011 0.000 0.982 196 L CA -0.302 54.545 54.840 0.012 0.000 0.873 196 L CB 1.216 43.285 42.059 0.017 0.000 1.198 196 L HN 0.146 nan 8.230 nan 0.000 0.427 197 D N 3.321 123.724 120.400 0.005 0.000 2.350 197 D HA 0.248 4.888 4.640 0.000 0.000 0.245 197 D C -0.969 175.332 176.300 0.001 0.000 1.036 197 D CA -0.322 53.683 54.000 0.008 0.000 0.848 197 D CB 2.682 43.492 40.800 0.017 0.000 1.307 197 D HN 0.539 nan 8.370 nan 0.000 0.469 198 E N 2.222 122.424 120.200 0.003 0.000 2.194 198 E HA 0.397 4.747 4.350 0.000 0.000 0.284 198 E C -0.904 175.697 176.600 0.002 0.000 1.035 198 E CA -0.338 56.063 56.400 0.001 0.000 0.836 198 E CB 0.573 30.275 29.700 0.002 0.000 1.070 198 E HN 0.363 nan 8.360 nan 0.000 0.401 199 I N 4.174 124.744 120.570 0.000 0.000 2.534 199 I HA 0.163 4.333 4.170 0.000 0.000 0.286 199 I C -0.734 175.382 176.117 -0.000 0.000 1.094 199 I CA -0.775 60.526 61.300 0.001 0.000 1.055 199 I CB 1.863 39.865 38.000 0.002 0.000 1.225 199 I HN 0.613 nan 8.210 nan 0.000 0.435 200 D N 5.146 125.546 120.400 0.000 0.000 2.723 200 D HA -0.175 4.465 4.640 0.000 0.000 0.236 200 D C 1.152 177.451 176.300 -0.001 0.000 1.138 200 D CA 1.687 55.687 54.000 -0.000 0.000 0.676 200 D CB -0.626 40.174 40.800 -0.001 0.000 1.069 200 D HN 1.221 nan 8.370 nan 0.000 0.430 201 G N 0.344 109.144 108.800 -0.001 0.000 2.168 201 G HA2 -0.339 3.621 3.960 0.000 0.000 0.263 201 G HA3 -0.339 3.621 3.960 0.000 0.000 0.263 201 G C 0.104 175.003 174.900 -0.003 0.000 0.977 201 G CA 0.919 46.018 45.100 -0.001 0.000 0.659 201 G HN 0.637 nan 8.290 nan 0.000 0.533 202 E N -0.469 119.728 120.200 -0.004 0.000 2.293 202 E HA 0.625 4.975 4.350 0.000 0.000 0.270 202 E C 0.034 176.628 176.600 -0.010 0.000 0.879 202 E CA -1.074 55.322 56.400 -0.007 0.000 0.756 202 E CB 1.012 30.707 29.700 -0.009 0.000 1.208 202 E HN 0.183 nan 8.360 nan 0.000 0.428 203 L N 3.626 124.841 121.223 -0.013 0.000 2.290 203 L HA 0.398 4.738 4.340 0.000 0.000 0.284 203 L C -0.313 176.537 176.870 -0.035 0.000 1.078 203 L CA -0.359 54.470 54.840 -0.019 0.000 0.815 203 L CB 0.758 42.807 42.059 -0.017 0.000 1.162 203 L HN 0.389 nan 8.230 nan 0.000 0.435 204 K N 3.389 123.766 120.400 -0.039 0.000 2.324 204 K HA 0.492 4.812 4.320 0.000 0.000 0.253 204 K C -0.839 175.703 176.600 -0.097 0.000 0.932 204 K CA -0.576 55.676 56.287 -0.059 0.000 0.799 204 K CB 1.911 34.394 32.500 -0.029 0.000 1.154 204 K HN 0.379 nan 8.250 nan 0.000 0.425 205 R N 1.019 121.392 120.500 -0.212 0.000 2.404 205 R HA 0.587 4.927 4.340 0.000 0.000 0.291 205 R C -0.528 175.639 176.300 -0.222 0.000 1.025 205 R CA -0.702 55.157 56.100 -0.402 0.000 0.991 205 R CB 1.462 31.116 30.300 -1.075 0.000 1.053 205 R HN 0.833 nan 8.270 nan 0.000 0.479 206 S N 1.965 117.713 115.700 0.080 0.000 2.550 206 S HA 0.552 5.022 4.470 0.000 0.000 0.270 206 S C -1.146 173.760 174.600 0.510 0.000 1.145 206 S CA -1.037 57.366 58.200 0.338 0.000 0.852 206 S CB 1.597 64.908 63.200 0.184 0.000 1.119 206 S HN 0.552 nan 8.310 nan 0.000 0.465 207 L N 2.175 123.659 121.223 0.435 0.000 2.370 207 L HA 0.890 5.230 4.340 0.000 0.000 0.266 207 L C -1.590 175.402 176.870 0.204 0.000 1.002 207 L CA -1.086 53.899 54.840 0.242 0.000 0.818 207 L CB 1.725 43.840 42.059 0.093 0.000 1.325 207 L HN 0.961 nan 8.230 nan 0.000 0.418 208 I N 3.470 124.126 120.570 0.144 0.000 2.680 208 I HA 0.339 4.509 4.170 0.000 0.000 0.291 208 I C -1.427 174.753 176.117 0.104 0.000 1.244 208 I CA -0.628 60.759 61.300 0.145 0.000 1.042 208 I CB 2.218 40.321 38.000 0.171 0.000 1.277 208 I HN 0.317 nan 8.210 nan 0.000 0.423 209 V N 8.239 128.177 119.914 0.040 0.000 2.353 209 V HA 0.073 4.193 4.120 0.000 0.000 0.264 209 V C 0.608 176.648 176.094 -0.090 0.000 1.049 209 V CA -0.047 62.188 62.300 -0.108 0.000 0.896 209 V CB 0.990 32.617 31.823 -0.326 0.000 1.025 209 V HN 0.863 nan 8.190 nan 0.000 0.475 210 W N 5.124 126.332 121.300 -0.152 0.000 2.476 210 W HA 0.135 4.795 4.660 0.000 0.000 0.281 210 W C 0.893 177.360 176.519 -0.086 0.000 1.230 210 W CA 0.686 57.984 57.345 -0.080 0.000 1.287 210 W CB 0.569 29.983 29.460 -0.077 0.000 1.108 210 W HN 0.543 nan 8.180 nan 0.000 0.567 211 K N 0.152 120.538 120.400 -0.024 0.000 2.578 211 K HA 0.359 4.679 4.320 0.000 0.000 0.269 211 K C -1.721 174.767 176.600 -0.186 0.000 0.941 211 K CA -0.591 55.665 56.287 -0.053 0.000 0.847 211 K CB 1.534 34.062 32.500 0.046 0.000 1.397 211 K HN -0.157 nan 8.250 nan 0.000 0.422 212 M N 3.686 123.220 119.600 -0.110 0.000 2.400 212 M HA 0.320 4.800 4.480 0.000 0.000 0.192 212 M C -1.524 174.777 176.300 0.002 0.000 0.977 212 M CA -0.074 55.166 55.300 -0.099 0.000 0.965 212 M CB 1.074 33.568 32.600 -0.176 0.000 2.816 212 M HN 0.642 nan 8.290 nan 0.000 0.413 213 R N 1.251 121.742 120.500 -0.015 0.000 2.698 213 R HA 0.503 4.843 4.340 0.000 0.000 0.266 213 R C 1.124 177.426 176.300 0.003 0.000 1.026 213 R CA 1.404 57.503 56.100 -0.001 0.000 1.102 213 R CB 0.190 30.481 30.300 -0.014 0.000 0.978 213 R HN 1.034 nan 8.270 nan 0.000 0.436 214 G N 0.113 108.920 108.800 0.012 0.000 2.195 214 G HA2 -0.281 3.679 3.960 0.000 0.000 0.246 214 G HA3 -0.281 3.679 3.960 0.000 0.000 0.246 214 G C 0.207 175.123 174.900 0.027 0.000 0.984 214 G CA 0.386 45.494 45.100 0.013 0.000 0.633 214 G HN 0.791 nan 8.290 nan 0.000 0.525 215 T N -0.865 113.714 114.554 0.043 0.000 2.749 215 T HA 0.626 4.976 4.350 0.000 0.000 0.310 215 T C 0.001 174.738 174.700 0.061 0.000 1.496 215 T CA 1.029 63.164 62.100 0.058 0.000 1.006 215 T CB 1.011 69.918 68.868 0.066 0.000 1.457 215 T HN 1.490 nan 8.240 nan 0.000 0.497 216 S N 1.451 117.177 115.700 0.044 0.000 2.672 216 S HA 0.871 5.341 4.470 0.000 0.000 0.276 216 S C -0.560 173.822 174.600 -0.364 0.000 1.207 216 S CA -0.214 57.934 58.200 -0.088 0.000 1.002 216 S CB 0.651 63.918 63.200 0.112 0.000 0.998 216 S HN 1.209 nan 8.310 nan 0.000 0.542 217 H N -2.094 116.608 119.070 -0.614 0.000 3.003 217 H HA 0.639 5.195 4.556 0.000 0.000 0.327 217 H C -0.620 174.394 175.328 -0.524 0.000 1.353 217 H CA -0.692 54.780 56.048 -0.959 0.000 1.142 217 H CB 0.507 30.030 29.762 -0.398 0.000 1.864 217 H HN 0.658 nan 8.280 nan 0.000 0.529 218 S N 0.449 116.076 115.700 -0.123 0.000 2.558 218 S HA 0.031 4.501 4.470 0.000 0.000 0.293 218 S C 0.537 175.225 174.600 0.147 0.000 1.292 218 S CA -0.310 57.979 58.200 0.149 0.000 1.063 218 S CB -0.009 63.420 63.200 0.382 0.000 0.831 218 S HN 0.602 nan 8.310 nan 0.000 0.499 219 M N 3.989 123.611 119.600 0.038 0.000 2.419 219 M HA 0.240 4.720 4.480 0.000 0.000 0.252 219 M C 0.507 176.765 176.300 -0.070 0.000 1.143 219 M CA 0.353 55.629 55.300 -0.039 0.000 0.985 219 M CB -0.669 31.865 32.600 -0.111 0.000 1.489 219 M HN 0.540 nan 8.290 nan 0.000 0.484 220 R N 0.540 120.997 120.500 -0.073 0.000 2.674 220 R HA 0.529 4.869 4.340 0.000 0.000 0.266 220 R C 0.207 176.304 176.300 -0.339 0.000 1.016 220 R CA -0.787 55.171 56.100 -0.237 0.000 1.062 220 R CB 1.810 31.909 30.300 -0.336 0.000 1.142 220 R HN 0.077 nan 8.270 nan 0.000 0.517 221 R N 1.923 122.264 120.500 -0.265 0.000 2.196 221 R HA 0.145 4.485 4.340 0.000 0.000 0.340 221 R C -0.825 175.363 176.300 -0.186 0.000 1.043 221 R CA -0.290 55.738 56.100 -0.121 0.000 0.883 221 R CB 0.377 30.673 30.300 -0.007 0.000 1.078 221 R HN 0.600 nan 8.270 nan 0.000 0.462 222 H N 5.300 124.457 119.070 0.145 0.000 2.458 222 H HA 0.309 4.865 4.556 0.000 0.000 0.330 222 H C -2.160 173.323 175.328 0.258 0.000 1.111 222 H CA -2.086 54.071 56.048 0.181 0.000 1.245 222 H CB 1.742 31.607 29.762 0.173 0.000 1.456 222 H HN 0.519 nan 8.280 nan 0.000 0.488 223 P HA 0.177 nan 4.420 nan 0.000 0.276 223 P C -0.746 176.885 177.300 0.551 0.000 1.252 223 P CA -0.209 63.101 63.100 0.350 0.000 0.802 223 P CB 1.006 32.838 31.700 0.221 0.000 1.035 224 F N -1.407 118.709 119.950 0.277 0.000 2.686 224 F HA 0.673 5.200 4.527 -0.000 0.000 0.311 224 F C -1.586 174.347 175.800 0.222 0.000 1.128 224 F CA -1.025 57.109 58.000 0.224 0.000 0.946 224 F CB 1.260 40.329 39.000 0.114 0.000 1.336 224 F HN 0.037 nan 8.300 nan 0.000 0.457 225 D N 1.700 122.299 120.400 0.331 0.000 2.527 225 D HA 0.557 5.197 4.640 0.000 0.000 0.233 225 D C -0.791 175.670 176.300 0.268 0.000 1.063 225 D CA -0.158 53.952 54.000 0.182 0.000 0.880 225 D CB 3.056 43.990 40.800 0.225 0.000 1.457 225 D HN 0.583 nan 8.370 nan 0.000 0.475 226 I N 1.059 121.740 120.570 0.185 0.000 2.377 226 I HA 0.298 4.468 4.170 0.000 0.000 0.293 226 I C 0.798 177.013 176.117 0.163 0.000 0.987 226 I CA -0.328 61.097 61.300 0.207 0.000 1.185 226 I CB 1.768 39.892 38.000 0.206 0.000 1.341 226 I HN 0.375 nan 8.210 nan 0.000 0.455 227 T N -0.494 114.158 114.554 0.163 0.000 2.724 227 T HA 0.299 4.649 4.350 0.000 0.000 0.274 227 T C 0.470 175.297 174.700 0.213 0.000 0.984 227 T CA -0.674 61.518 62.100 0.152 0.000 1.024 227 T CB 1.528 70.468 68.868 0.120 0.000 1.320 227 T HN 0.420 nan 8.240 nan 0.000 0.555 228 D N -0.091 120.389 120.400 0.132 0.000 2.312 228 D HA 0.027 4.667 4.640 0.000 0.000 0.211 228 D C 1.029 177.414 176.300 0.142 0.000 0.964 228 D CA 0.919 54.968 54.000 0.082 0.000 0.877 228 D CB 0.147 40.936 40.800 -0.018 0.000 0.924 228 D HN 0.486 nan 8.370 nan 0.000 0.515 229 K N 0.010 120.494 120.400 0.139 0.000 2.514 229 K HA 0.351 4.671 4.320 0.000 0.000 0.207 229 K C 0.471 177.168 176.600 0.162 0.000 1.035 229 K CA -0.136 56.220 56.287 0.114 0.000 1.113 229 K CB 1.289 33.855 32.500 0.111 0.000 0.846 229 K HN 0.097 nan 8.250 nan 0.000 0.491 230 G N 1.184 110.021 108.800 0.061 0.000 2.548 230 G HA2 -0.217 3.743 3.960 0.000 0.000 0.208 230 G HA3 -0.217 3.743 3.960 0.000 0.000 0.208 230 G C -0.573 174.355 174.900 0.048 0.000 1.308 230 G CA -0.962 44.124 45.100 -0.023 0.000 0.924 230 G HN 0.111 nan 8.290 nan 0.000 0.540 231 I N 0.729 121.319 120.570 0.033 0.000 2.519 231 I HA 0.485 4.655 4.170 0.000 0.000 0.287 231 I C 0.405 176.518 176.117 -0.007 0.000 1.047 231 I CA -0.227 61.107 61.300 0.057 0.000 1.381 231 I CB 0.990 38.982 38.000 -0.014 0.000 1.417 231 I HN 0.351 nan 8.210 nan 0.000 0.540 232 I N 6.497 127.081 120.570 0.023 0.000 2.439 232 I HA 0.297 4.467 4.170 0.000 0.000 0.283 232 I C -0.577 175.377 176.117 -0.273 0.000 1.023 232 I CA -0.602 60.605 61.300 -0.155 0.000 1.100 232 I CB 1.758 39.650 38.000 -0.180 0.000 1.238 232 I HN 0.183 nan 8.210 nan 0.000 0.445 233 V N 6.319 126.062 119.914 -0.286 0.000 2.612 233 V HA 0.306 4.426 4.120 0.000 0.000 0.301 233 V C -0.843 175.017 176.094 -0.390 0.000 1.046 233 V CA -0.553 61.629 62.300 -0.196 0.000 0.946 233 V CB 1.529 33.301 31.823 -0.086 0.000 1.003 233 V HN 0.416 nan 8.190 nan 0.000 0.459 234 Y N 4.845 125.220 120.300 0.126 0.000 2.721 234 Y HA 0.334 4.884 4.550 0.000 0.000 0.328 234 Y C -1.419 174.513 175.900 0.054 0.000 1.003 234 Y CA -2.145 56.009 58.100 0.089 0.000 1.275 234 Y CB 1.168 39.699 38.460 0.118 0.000 1.097 234 Y HN 0.494 nan 8.280 nan 0.000 0.514 235 P HA -0.147 nan 4.420 nan 0.000 0.230 235 P C 0.369 177.707 177.300 0.063 0.000 1.158 235 P CA 1.347 64.313 63.100 -0.223 0.000 0.769 235 P CB 0.451 32.044 31.700 -0.179 0.000 0.807 236 D N -1.211 119.287 120.400 0.164 0.000 2.363 236 D HA 0.077 4.717 4.640 0.000 0.000 0.214 236 D C 0.305 176.716 176.300 0.186 0.000 1.093 236 D CA 0.016 54.114 54.000 0.164 0.000 0.837 236 D CB 0.176 41.047 40.800 0.119 0.000 0.948 236 D HN 0.161 nan 8.370 nan 0.000 0.507 237 K N -0.058 120.502 120.400 0.267 0.000 2.340 237 K HA 0.617 4.937 4.320 0.000 0.000 0.244 237 K C -1.360 175.369 176.600 0.216 0.000 0.973 237 K CA -1.045 55.362 56.287 0.200 0.000 0.828 237 K CB 3.484 36.080 32.500 0.159 0.000 1.226 237 K HN -0.097 nan 8.250 nan 0.000 0.437 238 V N 2.520 122.489 119.914 0.092 0.000 2.925 238 V HA 0.453 4.573 4.120 0.000 0.000 0.311 238 V C -1.863 174.242 176.094 0.019 0.000 1.104 238 V CA -0.998 61.309 62.300 0.011 0.000 0.954 238 V CB 1.964 33.766 31.823 -0.035 0.000 1.022 238 V HN 0.592 nan 8.190 nan 0.000 0.427 239 L N 6.552 127.781 121.223 0.010 0.000 2.277 239 L HA 0.556 4.896 4.340 0.000 0.000 0.284 239 L C 0.512 177.386 176.870 0.007 0.000 1.028 239 L CA 0.537 55.389 54.840 0.020 0.000 0.835 239 L CB 0.939 43.023 42.059 0.041 0.000 1.215 239 L HN 0.803 nan 8.230 nan 0.000 0.425 240 K N 3.021 123.424 120.400 0.005 0.000 2.312 240 K HA 0.284 4.604 4.320 0.000 0.000 0.230 240 K C 1.441 178.046 176.600 0.008 0.000 1.048 240 K CA -0.131 56.157 56.287 0.002 0.000 0.938 240 K CB 0.111 32.611 32.500 -0.001 0.000 1.139 240 K HN 0.365 nan 8.250 nan 0.000 0.461 241 R N -0.007 120.497 120.500 0.007 0.000 2.052 241 R HA 0.061 4.401 4.340 0.000 0.000 0.226 241 R C 1.652 177.958 176.300 0.011 0.000 1.145 241 R CA 1.638 57.744 56.100 0.009 0.000 0.952 241 R CB -0.462 29.842 30.300 0.006 0.000 0.847 241 R HN 0.561 nan 8.270 nan 0.000 0.431 242 G N 0.247 109.052 108.800 0.008 0.000 5.068 242 G HA2 0.087 4.047 3.960 0.000 0.000 0.218 242 G HA3 0.087 4.047 3.960 0.000 0.000 0.218 242 G C -0.550 174.353 174.900 0.004 0.000 0.891 242 G CA -0.367 44.738 45.100 0.008 0.000 0.776 242 G HN 0.071 nan 8.290 nan 0.000 0.284 243 K N 0.604 121.006 120.400 0.004 0.000 2.318 243 K HA 0.694 5.014 4.320 0.000 0.000 0.249 243 K C -0.539 176.063 176.600 0.003 0.000 0.942 243 K CA -0.574 55.713 56.287 0.001 0.000 0.808 243 K CB 2.277 34.777 32.500 -0.000 0.000 1.189 243 K HN -0.097 nan 8.250 nan 0.000 0.428 244 V N 5.622 125.535 119.914 -0.002 0.000 2.353 244 V HA 0.336 4.456 4.120 0.000 0.000 0.264 244 V C -0.044 176.049 176.094 -0.002 0.000 1.049 244 V CA -0.494 61.806 62.300 0.000 0.000 0.896 244 V CB -0.003 31.810 31.823 -0.016 0.000 1.025 244 V HN 0.593 nan 8.190 nan 0.000 0.475 245 L N 3.873 125.101 121.223 0.008 0.000 2.332 245 L HA 0.683 5.023 4.340 0.000 0.000 0.269 245 L C 0.329 177.209 176.870 0.018 0.000 1.016 245 L CA -0.578 54.267 54.840 0.008 0.000 0.809 245 L CB 1.558 43.621 42.059 0.007 0.000 1.280 245 L HN 0.679 nan 8.230 nan 0.000 0.447 246 E N 0.000 120.209 120.200 0.016 0.000 2.725 246 E HA 0.000 4.350 4.350 0.000 0.000 0.291 246 E CA 0.000 56.415 56.400 0.025 0.000 0.976 246 E CB 0.000 29.726 29.700 0.043 0.000 0.812 246 E HN 0.000 nan 8.360 nan 0.000 0.440