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 2xk1_1_B DATA FIRST_RESID 1 DATA SEQUENCE RLTELREDID AILEDPALEG AVSGVVVVDT ATGEELYSRD GGEQLLPASN DATA SEQUENCE MKLFTAAAAL EVLGADHSFG TEVAAESAPG RRGEVQDLYL VGRGDPTLSA DATA SEQUENCE EDLDAMAAEV AASGVRTVRG DLYADDTWFD SERLVDDWWP EDEPYAYSAQ DATA SEQUENCE ISALTVAHGE RFDTGVTEVS VTPAAEGEPA DVDLGAAEGY AELDNRAVTG DATA SEQUENCE AAGSANTLVI DRPVGTNTIA VTGSLPADAA PVTALRTVDE PAALAGHLFE DATA SEQUENCE EALESNGVTV KGDVGLGGVP ADWQDAEVLA DHTSAELSEI LVPFMKFSNN DATA SEQUENCE GHAEMLVKSI GQETAGAGTW DAGLVGVEEA LSGLGVDTAG LVLNDGSGLS DATA SEQUENCE RGNLVTADTV VDLLGQAGSA PWAQTWSASL PVAGESDPFV GGTLANRMRG DATA SEQUENCE TAAEGVVEAK TGTMSGVSAL SGYVPGPEGE LAFSIVNNGH SGPAPLAVQD DATA SEQUENCE AIAVRLAEYA GHQAP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 176.469 176.300 0.281 0.000 0.893 1 R CA 0.000 56.184 56.100 0.139 0.000 0.921 1 R CB 0.000 30.422 30.300 0.203 0.000 0.687 2 L N 1.129 122.480 121.223 0.213 0.000 2.013 2 L HA -0.138 4.202 4.340 0.001 0.000 0.212 2 L C 1.468 178.422 176.870 0.140 0.000 1.073 2 L CA 2.998 57.962 54.840 0.206 0.000 0.753 2 L CB -0.625 41.516 42.059 0.136 0.000 0.890 2 L HN 0.449 nan 8.230 nan 0.000 0.432 3 T N -4.564 110.052 114.554 0.104 0.000 3.044 3 T HA 0.003 4.354 4.350 0.001 0.000 0.255 3 T C 1.641 176.389 174.700 0.080 0.000 1.073 3 T CA -0.131 62.018 62.100 0.083 0.000 1.125 3 T CB -0.026 68.878 68.868 0.060 0.000 0.908 3 T HN 0.186 nan 8.240 nan 0.000 0.480 4 E N 1.000 121.251 120.200 0.085 0.000 2.160 4 E HA -0.086 4.264 4.350 0.001 0.000 0.195 4 E C 1.937 178.577 176.600 0.067 0.000 0.991 4 E CA 0.853 57.295 56.400 0.071 0.000 0.810 4 E CB -0.237 29.505 29.700 0.071 0.000 0.742 4 E HN 0.353 nan 8.360 nan 0.000 0.466 5 L N 0.760 122.038 121.223 0.093 0.000 2.179 5 L HA -0.084 4.257 4.340 0.001 0.000 0.208 5 L C 2.320 179.185 176.870 -0.008 0.000 1.096 5 L CA 1.241 56.098 54.840 0.028 0.000 0.779 5 L CB -0.061 41.988 42.059 -0.017 0.000 0.922 5 L HN -0.074 nan 8.230 nan 0.000 0.443 6 R N -0.467 120.076 120.500 0.072 0.000 2.096 6 R HA -0.148 4.193 4.340 0.001 0.000 0.235 6 R C 1.946 178.308 176.300 0.105 0.000 1.127 6 R CA 1.800 57.994 56.100 0.157 0.000 0.968 6 R CB -0.236 30.160 30.300 0.161 0.000 0.861 6 R HN 0.517 nan 8.270 nan 0.000 0.440 7 E N -0.007 120.226 120.200 0.055 0.000 2.190 7 E HA -0.081 4.270 4.350 0.001 0.000 0.191 7 E C 1.166 177.766 176.600 0.000 0.000 0.978 7 E CA 0.815 57.237 56.400 0.037 0.000 0.839 7 E CB 0.097 29.817 29.700 0.033 0.000 0.787 7 E HN 0.248 nan 8.360 nan 0.000 0.473 8 D N 0.777 121.165 120.400 -0.020 0.000 2.162 8 D HA -0.024 4.617 4.640 0.001 0.000 0.203 8 D C 1.766 178.008 176.300 -0.096 0.000 0.967 8 D CA 0.665 54.638 54.000 -0.044 0.000 0.840 8 D CB 0.124 40.905 40.800 -0.032 0.000 0.972 8 D HN 0.081 nan 8.370 nan 0.000 0.482 9 I N 0.528 120.995 120.570 -0.172 0.000 2.252 9 I HA -0.228 3.943 4.170 0.001 0.000 0.245 9 I C 1.652 177.639 176.117 -0.216 0.000 1.102 9 I CA 1.055 62.173 61.300 -0.303 0.000 1.385 9 I CB -0.114 37.483 38.000 -0.672 0.000 1.064 9 I HN -0.069 nan 8.210 nan 0.000 0.414 10 D N 1.049 121.382 120.400 -0.112 0.000 2.149 10 D HA -0.218 4.423 4.640 0.001 0.000 0.194 10 D C 2.145 178.439 176.300 -0.010 0.000 1.001 10 D CA 1.766 55.769 54.000 0.006 0.000 0.849 10 D CB -0.057 40.784 40.800 0.070 0.000 0.939 10 D HN 0.366 nan 8.370 nan 0.000 0.449 11 A N -0.393 122.412 122.820 -0.025 0.000 2.016 11 A HA -0.016 4.305 4.320 0.001 0.000 0.217 11 A C 2.192 179.756 177.584 -0.033 0.000 1.162 11 A CA 0.479 52.504 52.037 -0.021 0.000 0.662 11 A CB -0.446 18.544 19.000 -0.017 0.000 0.812 11 A HN 0.211 nan 8.150 nan 0.000 0.450 12 I N -0.166 120.370 120.570 -0.057 0.000 2.202 12 I HA -0.240 3.931 4.170 0.001 0.000 0.242 12 I C 2.113 178.199 176.117 -0.052 0.000 1.091 12 I CA 1.048 62.310 61.300 -0.063 0.000 1.368 12 I CB -0.303 37.641 38.000 -0.092 0.000 1.058 12 I HN 0.258 nan 8.210 nan 0.000 0.410 13 L N 0.459 121.652 121.223 -0.049 0.000 2.261 13 L HA -0.189 4.152 4.340 0.001 0.000 0.216 13 L C 2.172 179.036 176.870 -0.010 0.000 1.114 13 L CA 0.906 55.732 54.840 -0.024 0.000 0.777 13 L CB -0.639 41.422 42.059 0.003 0.000 0.910 13 L HN 0.311 nan 8.230 nan 0.000 0.440 14 E N -0.202 119.992 120.200 -0.010 0.000 2.478 14 E HA -0.105 4.246 4.350 0.001 0.000 0.198 14 E C 0.509 177.104 176.600 -0.008 0.000 1.046 14 E CA 0.092 56.490 56.400 -0.004 0.000 0.870 14 E CB -0.361 29.337 29.700 -0.002 0.000 0.818 14 E HN 0.457 nan 8.360 nan 0.000 0.527 15 D N 1.805 122.195 120.400 -0.017 0.000 2.571 15 D HA -0.084 4.556 4.640 0.001 0.000 0.231 15 D C -1.300 174.992 176.300 -0.014 0.000 1.133 15 D CA -1.049 52.939 54.000 -0.020 0.000 0.862 15 D CB 1.384 42.164 40.800 -0.033 0.000 1.179 15 D HN -0.073 nan 8.370 nan 0.000 0.474 16 P HA -0.171 nan 4.420 nan 0.000 0.216 16 P C 0.923 178.223 177.300 0.000 0.000 1.153 16 P CA 1.242 64.340 63.100 -0.003 0.000 0.858 16 P CB -0.050 31.649 31.700 -0.003 0.000 0.789 17 A N -0.885 121.928 122.820 -0.012 0.000 2.225 17 A HA -0.039 4.282 4.320 0.001 0.000 0.215 17 A C 1.983 179.556 177.584 -0.019 0.000 1.164 17 A CA 0.866 52.894 52.037 -0.014 0.000 0.710 17 A CB -1.225 17.750 19.000 -0.043 0.000 0.780 17 A HN 0.208 nan 8.150 nan 0.000 0.473 18 L N -0.709 120.505 121.223 -0.014 0.000 3.014 18 L HA 0.203 4.543 4.340 0.001 0.000 0.263 18 L C 0.062 176.947 176.870 0.025 0.000 1.207 18 L CA -0.313 54.527 54.840 -0.000 0.000 1.017 18 L CB 0.315 42.362 42.059 -0.020 0.000 1.360 18 L HN 0.197 nan 8.230 nan 0.000 0.560 19 E N 0.464 120.680 120.200 0.027 0.000 2.328 19 E HA 0.312 4.662 4.350 0.001 0.000 0.265 19 E C 1.079 177.702 176.600 0.038 0.000 1.057 19 E CA 1.189 57.605 56.400 0.027 0.000 0.916 19 E CB 0.431 30.143 29.700 0.021 0.000 0.993 19 E HN 0.343 nan 8.360 nan 0.000 0.446 20 G N 3.102 111.922 108.800 0.034 0.000 2.420 20 G HA2 -0.305 3.656 3.960 0.001 0.000 0.221 20 G HA3 -0.305 3.656 3.960 0.001 0.000 0.221 20 G C 0.523 175.450 174.900 0.045 0.000 1.117 20 G CA -0.101 45.021 45.100 0.036 0.000 0.657 20 G HN 0.958 nan 8.290 nan 0.000 0.512 21 A N 0.664 123.522 122.820 0.064 0.000 2.483 21 A HA 0.562 4.882 4.320 0.001 0.000 0.238 21 A C 0.722 178.341 177.584 0.060 0.000 1.070 21 A CA 0.792 52.877 52.037 0.081 0.000 0.770 21 A CB 0.474 19.552 19.000 0.129 0.000 1.008 21 A HN 1.411 nan 8.150 nan 0.000 0.497 22 V N 1.896 121.845 119.914 0.060 0.000 2.509 22 V HA 0.542 4.663 4.120 0.001 0.000 0.284 22 V C 0.353 176.479 176.094 0.055 0.000 1.047 22 V CA -0.275 62.054 62.300 0.049 0.000 0.952 22 V CB 1.207 33.055 31.823 0.042 0.000 0.988 22 V HN 0.827 nan 8.190 nan 0.000 0.469 23 S N 2.092 117.823 115.700 0.052 0.000 2.614 23 S HA 0.653 5.124 4.470 0.001 0.000 0.288 23 S C 0.150 174.790 174.600 0.067 0.000 1.137 23 S CA -0.533 57.701 58.200 0.057 0.000 0.992 23 S CB 1.813 65.043 63.200 0.050 0.000 1.026 23 S HN 1.145 nan 8.310 nan 0.000 0.486 24 G N 1.613 110.454 108.800 0.067 0.000 2.356 24 G HA2 0.551 4.511 3.960 0.001 0.000 0.312 24 G HA3 0.551 4.511 3.960 0.001 0.000 0.312 24 G C -0.806 174.155 174.900 0.103 0.000 1.096 24 G CA -0.426 44.718 45.100 0.074 0.000 0.950 24 G HN 0.589 nan 8.290 nan 0.000 0.428 25 V N 3.134 123.137 119.914 0.149 0.000 2.444 25 V HA 0.521 4.642 4.120 0.001 0.000 0.294 25 V C -0.385 175.856 176.094 0.245 0.000 1.022 25 V CA -0.735 61.693 62.300 0.214 0.000 0.850 25 V CB 1.639 33.625 31.823 0.273 0.000 0.992 25 V HN 0.491 nan 8.190 nan 0.000 0.426 26 V N 5.408 125.441 119.914 0.198 0.000 2.577 26 V HA 0.600 4.720 4.120 0.001 0.000 0.303 26 V C -0.628 175.576 176.094 0.183 0.000 1.042 26 V CA -0.514 61.884 62.300 0.164 0.000 0.872 26 V CB 2.372 34.248 31.823 0.088 0.000 0.998 26 V HN 0.627 nan 8.190 nan 0.000 0.423 27 V N 5.499 125.521 119.914 0.180 0.000 2.531 27 V HA 0.693 4.814 4.120 0.001 0.000 0.301 27 V C -0.417 175.734 176.094 0.095 0.000 1.034 27 V CA -0.546 61.843 62.300 0.149 0.000 0.865 27 V CB 1.964 33.847 31.823 0.100 0.000 0.995 27 V HN 0.588 nan 8.190 nan 0.000 0.424 28 V N 2.045 122.018 119.914 0.098 0.000 3.074 28 V HA 0.531 4.652 4.120 0.001 0.000 0.314 28 V C -0.822 175.325 176.094 0.089 0.000 1.117 28 V CA -0.675 61.673 62.300 0.079 0.000 1.014 28 V CB 2.534 34.404 31.823 0.079 0.000 1.057 28 V HN 0.877 nan 8.190 nan 0.000 0.438 29 D N 1.036 121.484 120.400 0.081 0.000 2.485 29 D HA 0.219 4.860 4.640 0.001 0.000 0.221 29 D C 1.168 177.522 176.300 0.089 0.000 1.112 29 D CA 0.040 54.098 54.000 0.097 0.000 0.911 29 D CB 1.418 42.279 40.800 0.100 0.000 1.019 29 D HN 0.577 nan 8.370 nan 0.000 0.516 30 T N 1.779 116.394 114.554 0.101 0.000 2.714 30 T HA -0.243 4.107 4.350 0.001 0.000 0.268 30 T C 1.656 176.390 174.700 0.056 0.000 1.036 30 T CA 1.920 64.070 62.100 0.083 0.000 1.148 30 T CB 0.152 69.075 68.868 0.092 0.000 0.856 30 T HN 0.560 nan 8.240 nan 0.000 0.462 31 A N 1.220 124.075 122.820 0.059 0.000 1.825 31 A HA -0.105 4.216 4.320 0.001 0.000 0.214 31 A C 2.671 180.279 177.584 0.040 0.000 1.206 31 A CA 2.502 54.565 52.037 0.043 0.000 0.609 31 A CB -1.383 17.645 19.000 0.047 0.000 0.851 31 A HN 0.630 nan 8.150 nan 0.000 0.445 32 T N -4.001 110.583 114.554 0.050 0.000 2.732 32 T HA 0.333 4.684 4.350 0.001 0.000 0.261 32 T C 1.526 176.250 174.700 0.040 0.000 1.040 32 T CA 1.754 63.880 62.100 0.044 0.000 1.145 32 T CB -0.590 68.310 68.868 0.053 0.000 0.866 32 T HN 1.943 nan 8.240 nan 0.000 0.427 33 G N 0.956 109.784 108.800 0.047 0.000 2.141 33 G HA2 -0.163 3.797 3.960 0.001 0.000 0.164 33 G HA3 -0.163 3.797 3.960 0.001 0.000 0.164 33 G C -0.288 174.637 174.900 0.041 0.000 1.009 33 G CA 0.082 45.207 45.100 0.042 0.000 0.677 33 G HN 0.860 nan 8.290 nan 0.000 0.508 34 E N 0.751 120.979 120.200 0.048 0.000 2.197 34 E HA 0.411 4.761 4.350 0.001 0.000 0.281 34 E C 0.287 176.913 176.600 0.043 0.000 0.995 34 E CA -0.647 55.779 56.400 0.044 0.000 0.808 34 E CB 0.578 30.308 29.700 0.051 0.000 1.093 34 E HN 0.383 nan 8.360 nan 0.000 0.394 35 E N 5.581 125.801 120.200 0.033 0.000 2.217 35 E HA 0.006 4.357 4.350 0.001 0.000 0.279 35 E C 0.306 176.921 176.600 0.025 0.000 1.068 35 E CA -0.155 56.263 56.400 0.030 0.000 0.882 35 E CB 0.580 30.290 29.700 0.016 0.000 1.039 35 E HN 0.654 nan 8.360 nan 0.000 0.418 36 L N 4.359 125.596 121.223 0.024 0.000 2.095 36 L HA 0.079 4.420 4.340 0.001 0.000 0.204 36 L C 0.610 177.530 176.870 0.082 0.000 1.080 36 L CA 0.582 55.424 54.840 0.003 0.000 0.759 36 L CB -0.119 41.861 42.059 -0.132 0.000 0.914 36 L HN 0.582 nan 8.230 nan 0.000 0.439 37 Y N -0.656 119.614 120.300 -0.049 0.000 2.504 37 Y HA 0.525 5.076 4.550 0.001 0.000 0.344 37 Y C -0.825 175.072 175.900 -0.006 0.000 1.023 37 Y CA -0.825 57.257 58.100 -0.030 0.000 1.020 37 Y CB 2.090 40.523 38.460 -0.044 0.000 1.282 37 Y HN -0.204 nan 8.280 nan 0.000 0.454 38 S N 5.926 121.261 115.700 -0.609 0.000 2.566 38 S HA 0.666 5.137 4.470 0.001 0.000 0.273 38 S C -1.897 172.388 174.600 -0.525 0.000 1.157 38 S CA -0.668 57.308 58.200 -0.372 0.000 0.938 38 S CB 1.025 64.124 63.200 -0.167 0.000 1.087 38 S HN 0.808 nan 8.310 nan 0.000 0.474 39 R N 2.766 123.114 120.500 -0.253 0.000 2.510 39 R HA 0.274 4.615 4.340 0.001 0.000 0.287 39 R C -1.136 175.153 176.300 -0.018 0.000 1.084 39 R CA -0.359 55.659 56.100 -0.137 0.000 0.934 39 R CB 0.910 31.188 30.300 -0.037 0.000 1.201 39 R HN 0.875 nan 8.270 nan 0.000 0.431 40 D N 2.446 122.833 120.400 -0.022 0.000 2.701 40 D HA -0.178 4.463 4.640 0.001 0.000 0.235 40 D C 0.890 177.197 176.300 0.011 0.000 1.155 40 D CA 1.287 55.288 54.000 0.001 0.000 0.649 40 D CB -0.777 40.035 40.800 0.019 0.000 1.050 40 D HN 0.956 nan 8.370 nan 0.000 0.425 41 G N 0.301 109.100 108.800 -0.001 0.000 2.443 41 G HA2 -0.024 3.937 3.960 0.001 0.000 0.219 41 G HA3 -0.024 3.937 3.960 0.001 0.000 0.219 41 G C 1.461 176.373 174.900 0.021 0.000 1.131 41 G CA 0.793 45.902 45.100 0.015 0.000 0.775 41 G HN 0.476 nan 8.290 nan 0.000 0.547 42 G N -0.437 108.370 108.800 0.011 0.000 3.284 42 G HA2 0.321 4.282 3.960 0.001 0.000 0.236 42 G HA3 0.321 4.282 3.960 0.001 0.000 0.236 42 G C 0.105 175.012 174.900 0.011 0.000 1.158 42 G CA -0.249 44.858 45.100 0.012 0.000 0.774 42 G HN 0.361 nan 8.290 nan 0.000 0.545 43 E N 0.972 121.181 120.200 0.015 0.000 2.194 43 E HA 0.273 4.623 4.350 0.001 0.000 0.284 43 E C 0.238 176.848 176.600 0.016 0.000 1.035 43 E CA -0.324 56.085 56.400 0.015 0.000 0.836 43 E CB 0.423 30.134 29.700 0.019 0.000 1.070 43 E HN 0.237 nan 8.360 nan 0.000 0.401 44 Q N 3.567 123.372 119.800 0.009 0.000 2.297 44 Q HA 0.336 4.676 4.340 0.001 0.000 0.267 44 Q C -0.636 175.369 176.000 0.008 0.000 1.006 44 Q CA 0.175 55.980 55.803 0.004 0.000 0.896 44 Q CB 0.595 29.329 28.738 -0.007 0.000 1.186 44 Q HN 0.482 nan 8.270 nan 0.000 0.392 45 L N 1.853 123.083 121.223 0.012 0.000 2.409 45 L HA 0.488 4.828 4.340 0.001 0.000 0.255 45 L C -0.728 176.148 176.870 0.011 0.000 1.027 45 L CA -0.974 53.876 54.840 0.016 0.000 0.834 45 L CB 1.359 43.437 42.059 0.031 0.000 1.426 45 L HN 0.425 nan 8.230 nan 0.000 0.411 46 L N 2.448 123.676 121.223 0.008 0.000 2.416 46 L HA 0.228 4.569 4.340 0.001 0.000 0.272 46 L C -1.529 175.350 176.870 0.015 0.000 1.161 46 L CA -1.159 53.680 54.840 -0.001 0.000 0.845 46 L CB 0.441 42.490 42.059 -0.016 0.000 1.119 46 L HN 0.454 nan 8.230 nan 0.000 0.464 47 P HA 0.051 nan 4.420 nan 0.000 0.252 47 P C 0.761 178.077 177.300 0.026 0.000 1.218 47 P CA 0.875 64.003 63.100 0.047 0.000 0.807 47 P CB 0.722 32.477 31.700 0.092 0.000 1.072 48 A N 0.733 123.553 122.820 -0.000 0.000 5.483 48 A HA -0.304 4.017 4.320 0.001 0.000 0.309 48 A C 1.925 179.506 177.584 -0.005 0.000 1.898 48 A CA 1.984 54.005 52.037 -0.027 0.000 0.716 48 A CB -2.439 16.537 19.000 -0.040 0.000 1.309 48 A HN 0.183 nan 8.150 nan 0.000 0.380 49 S N 0.681 116.366 115.700 -0.025 0.000 2.507 49 S HA -0.076 4.395 4.470 0.001 0.000 0.235 49 S C 1.351 175.950 174.600 -0.002 0.000 0.988 49 S CA 1.196 59.386 58.200 -0.017 0.000 0.944 49 S CB -0.629 62.535 63.200 -0.060 0.000 0.762 49 S HN 0.619 nan 8.310 nan 0.000 0.526 50 N N 1.346 120.051 118.700 0.009 0.000 2.585 50 N HA -0.012 4.729 4.740 0.001 0.000 0.188 50 N C 1.299 176.903 175.510 0.157 0.000 1.102 50 N CA 0.372 53.436 53.050 0.023 0.000 0.920 50 N CB -0.317 38.181 38.487 0.019 0.000 0.963 50 N HN 0.341 nan 8.380 nan 0.000 0.447 51 M N 0.779 120.498 119.600 0.199 0.000 2.229 51 M HA -0.031 4.450 4.480 0.001 0.000 0.264 51 M C 1.316 177.816 176.300 0.332 0.000 1.063 51 M CA 1.488 56.985 55.300 0.328 0.000 1.114 51 M CB 0.046 32.763 32.600 0.195 0.000 1.387 51 M HN -0.115 nan 8.290 nan 0.000 0.420 52 K N -0.177 120.344 120.400 0.202 0.000 2.281 52 K HA -0.122 4.199 4.320 0.001 0.000 0.203 52 K C 1.811 178.503 176.600 0.154 0.000 1.046 52 K CA 1.225 57.639 56.287 0.211 0.000 0.938 52 K CB -0.457 32.046 32.500 0.006 0.000 0.737 52 K HN 0.409 nan 8.250 nan 0.000 0.458 53 L N -0.316 120.932 121.223 0.042 0.000 2.012 53 L HA -0.195 4.146 4.340 0.001 0.000 0.210 53 L C 2.143 179.115 176.870 0.170 0.000 1.073 53 L CA 1.515 56.358 54.840 0.004 0.000 0.748 53 L CB -0.460 41.457 42.059 -0.236 0.000 0.891 53 L HN 0.108 nan 8.230 nan 0.000 0.431 54 F N -0.380 119.696 119.950 0.210 0.000 2.186 54 F HA -0.190 4.337 4.527 0.001 0.000 0.299 54 F C 2.643 178.537 175.800 0.156 0.000 1.090 54 F CA 1.539 59.635 58.000 0.161 0.000 1.307 54 F CB -0.956 38.107 39.000 0.105 0.000 1.019 54 F HN 0.012 nan 8.300 nan 0.000 0.489 55 T N -0.060 114.716 114.554 0.369 0.000 2.701 55 T HA -0.163 4.188 4.350 0.001 0.000 0.263 55 T C 2.345 177.197 174.700 0.253 0.000 1.040 55 T CA 1.268 63.538 62.100 0.283 0.000 1.147 55 T CB -0.786 68.268 68.868 0.309 0.000 0.865 55 T HN 0.280 nan 8.240 nan 0.000 0.426 56 A N 1.704 124.745 122.820 0.368 0.000 1.917 56 A HA 0.016 4.337 4.320 0.001 0.000 0.219 56 A C 2.653 180.342 177.584 0.174 0.000 1.182 56 A CA 2.118 54.379 52.037 0.373 0.000 0.633 56 A CB -1.220 18.059 19.000 0.464 0.000 0.819 56 A HN 0.531 nan 8.150 nan 0.000 0.448 57 A N -0.408 122.515 122.820 0.171 0.000 1.902 57 A HA 0.172 4.493 4.320 0.001 0.000 0.217 57 A C 2.514 179.967 177.584 -0.219 0.000 1.181 57 A CA 2.172 54.038 52.037 -0.286 0.000 0.623 57 A CB -0.990 17.867 19.000 -0.237 0.000 0.818 57 A HN 1.065 nan 8.150 nan 0.000 0.443 58 A N -0.125 122.686 122.820 -0.016 0.000 1.873 58 A HA 0.211 4.532 4.320 0.001 0.000 0.215 58 A C 2.539 180.095 177.584 -0.046 0.000 1.186 58 A CA 2.014 54.054 52.037 0.004 0.000 0.616 58 A CB -1.197 17.843 19.000 0.067 0.000 0.823 58 A HN 1.144 nan 8.150 nan 0.000 0.442 59 A N -0.179 122.625 122.820 -0.026 0.000 1.927 59 A HA -0.178 4.142 4.320 0.001 0.000 0.220 59 A C 2.200 179.713 177.584 -0.118 0.000 1.185 59 A CA 1.847 53.862 52.037 -0.038 0.000 0.639 59 A CB -0.691 18.319 19.000 0.016 0.000 0.820 59 A HN 0.502 nan 8.150 nan 0.000 0.451 60 L N -1.278 119.774 121.223 -0.284 0.000 2.007 60 L HA -0.132 4.209 4.340 0.001 0.000 0.205 60 L C 2.738 179.467 176.870 -0.235 0.000 1.073 60 L CA 1.325 55.882 54.840 -0.472 0.000 0.744 60 L CB -0.651 40.601 42.059 -1.345 0.000 0.898 60 L HN 0.329 nan 8.230 nan 0.000 0.435 61 E N -0.033 120.081 120.200 -0.142 0.000 2.097 61 E HA -0.199 4.151 4.350 0.001 0.000 0.196 61 E C 2.207 178.842 176.600 0.058 0.000 1.000 61 E CA 1.437 57.904 56.400 0.111 0.000 0.804 61 E CB -0.073 29.707 29.700 0.133 0.000 0.740 61 E HN 0.314 nan 8.360 nan 0.000 0.454 62 V N 0.318 120.232 119.914 0.000 0.000 2.575 62 V HA -0.097 4.024 4.120 0.001 0.000 0.242 62 V C 2.284 178.357 176.094 -0.035 0.000 1.045 62 V CA 0.852 63.148 62.300 -0.006 0.000 1.065 62 V CB -0.116 31.698 31.823 -0.014 0.000 0.717 62 V HN 0.134 nan 8.190 nan 0.000 0.467 63 L N -0.174 121.003 121.223 -0.076 0.000 2.354 63 L HA 0.496 4.836 4.340 0.001 0.000 0.212 63 L C 1.065 177.895 176.870 -0.065 0.000 1.091 63 L CA 0.851 55.592 54.840 -0.166 0.000 0.828 63 L CB -0.145 41.747 42.059 -0.279 0.000 0.973 63 L HN 0.510 nan 8.230 nan 0.000 0.461 64 G N -0.563 108.233 108.800 -0.006 0.000 2.895 64 G HA2 -0.077 3.884 3.960 0.001 0.000 0.686 64 G HA3 -0.077 3.884 3.960 0.001 0.000 0.686 64 G C 0.483 175.421 174.900 0.063 0.000 1.108 64 G CA -0.376 44.759 45.100 0.059 0.000 0.761 64 G HN 0.189 nan 8.290 nan 0.000 0.611 65 A N 0.930 123.810 122.820 0.099 0.000 2.186 65 A HA 0.139 4.460 4.320 0.001 0.000 0.219 65 A C 1.706 179.341 177.584 0.084 0.000 1.159 65 A CA 2.208 54.308 52.037 0.105 0.000 0.680 65 A CB -0.154 18.956 19.000 0.184 0.000 0.787 65 A HN 1.358 nan 8.150 nan 0.000 0.467 66 D N -2.040 118.401 120.400 0.069 0.000 2.593 66 D HA 0.113 4.753 4.640 0.001 0.000 0.241 66 D C 0.122 176.415 176.300 -0.012 0.000 1.257 66 D CA -0.511 53.507 54.000 0.029 0.000 0.828 66 D CB -0.987 39.830 40.800 0.028 0.000 1.049 66 D HN 0.525 nan 8.370 nan 0.000 0.490 67 H N 1.415 120.413 119.070 -0.121 0.000 2.615 67 H HA 0.406 4.963 4.556 0.001 0.000 0.363 67 H C -0.081 175.034 175.328 -0.355 0.000 1.148 67 H CA 0.121 56.025 56.048 -0.240 0.000 1.401 67 H CB 0.998 30.585 29.762 -0.291 0.000 1.461 67 H HN 0.059 nan 8.280 nan 0.000 0.588 68 S N 3.041 118.099 115.700 -1.070 0.000 2.599 68 S HA 0.516 4.987 4.470 0.001 0.000 0.287 68 S C -1.296 172.714 174.600 -0.984 0.000 1.105 68 S CA -0.990 56.740 58.200 -0.783 0.000 0.899 68 S CB 1.207 64.165 63.200 -0.404 0.000 1.100 68 S HN 0.455 nan 8.310 nan 0.000 0.482 69 F N 0.936 120.761 119.950 -0.209 0.000 2.403 69 F HA 0.594 5.122 4.527 0.001 0.000 0.355 69 F C 0.986 176.712 175.800 -0.124 0.000 1.119 69 F CA -0.524 57.407 58.000 -0.114 0.000 1.007 69 F CB 1.740 40.731 39.000 -0.016 0.000 1.194 69 F HN 0.938 nan 8.300 nan 0.000 0.443 70 G N 1.948 110.734 108.800 -0.024 0.000 2.353 70 G HA2 0.521 4.482 3.960 0.001 0.000 0.284 70 G HA3 0.521 4.482 3.960 0.001 0.000 0.284 70 G C -0.568 174.286 174.900 -0.076 0.000 1.172 70 G CA -0.283 44.772 45.100 -0.075 0.000 0.854 70 G HN 0.476 nan 8.290 nan 0.000 0.485 71 T N 1.385 115.935 114.554 -0.008 0.000 2.888 71 T HA 0.667 5.018 4.350 0.001 0.000 0.284 71 T C -0.294 174.387 174.700 -0.031 0.000 1.017 71 T CA -0.614 61.461 62.100 -0.042 0.000 1.022 71 T CB 1.848 70.707 68.868 -0.015 0.000 1.013 71 T HN 0.785 nan 8.240 nan 0.000 0.465 72 E N -0.411 119.747 120.200 -0.071 0.000 2.423 72 E HA 0.656 5.006 4.350 0.001 0.000 0.280 72 E C -1.903 174.661 176.600 -0.060 0.000 1.030 72 E CA -1.172 55.202 56.400 -0.044 0.000 0.812 72 E CB 1.431 31.103 29.700 -0.045 0.000 1.313 72 E HN 0.273 nan 8.360 nan 0.000 0.456 73 V N 0.348 120.255 119.914 -0.012 0.000 2.407 73 V HA 0.757 4.878 4.120 0.001 0.000 0.291 73 V C -0.612 175.532 176.094 0.084 0.000 1.018 73 V CA -0.438 61.867 62.300 0.008 0.000 0.842 73 V CB 0.979 32.834 31.823 0.053 0.000 0.996 73 V HN 0.841 nan 8.190 nan 0.000 0.426 74 A N 3.846 126.754 122.820 0.148 0.000 2.365 74 A HA 1.032 5.353 4.320 0.001 0.000 0.318 74 A C -0.245 177.550 177.584 0.351 0.000 1.091 74 A CA -0.229 51.929 52.037 0.203 0.000 0.763 74 A CB 1.858 20.971 19.000 0.189 0.000 1.248 74 A HN 1.420 nan 8.150 nan 0.000 0.442 75 A N 0.511 123.465 122.820 0.223 0.000 2.469 75 A HA 0.673 4.994 4.320 0.001 0.000 0.299 75 A C 0.668 178.020 177.584 -0.387 0.000 1.098 75 A CA 0.021 52.125 52.037 0.112 0.000 0.737 75 A CB 0.938 19.973 19.000 0.059 0.000 1.312 75 A HN 0.970 nan 8.150 nan 0.000 0.414 76 E N 0.284 119.787 120.200 -1.162 0.000 2.086 76 E HA -0.154 4.197 4.350 0.001 0.000 0.200 76 E C 0.542 176.744 176.600 -0.663 0.000 1.012 76 E CA 1.890 57.339 56.400 -1.585 0.000 0.812 76 E CB 0.018 28.833 29.700 -1.476 0.000 0.743 76 E HN 0.816 nan 8.360 nan 0.000 0.453 77 S N -2.094 113.367 115.700 -0.398 0.000 2.615 77 S HA 0.638 5.109 4.470 0.001 0.000 0.269 77 S C -0.705 173.814 174.600 -0.136 0.000 1.161 77 S CA -0.741 57.330 58.200 -0.215 0.000 0.817 77 S CB 1.193 64.286 63.200 -0.179 0.000 1.131 77 S HN 0.316 nan 8.310 nan 0.000 0.467 78 A N 2.145 124.914 122.820 -0.086 0.000 2.609 78 A HA 0.424 4.744 4.320 0.001 0.000 0.232 78 A C -1.893 175.664 177.584 -0.045 0.000 1.041 78 A CA -0.145 51.861 52.037 -0.051 0.000 0.753 78 A CB -1.140 17.837 19.000 -0.038 0.000 0.966 78 A HN 0.686 nan 8.150 nan 0.000 0.510 79 P HA 0.165 nan 4.420 nan 0.000 0.268 79 P C 0.685 177.973 177.300 -0.018 0.000 1.205 79 P CA 0.562 63.652 63.100 -0.017 0.000 0.771 79 P CB 0.301 31.998 31.700 -0.005 0.000 0.858 80 G N 2.936 111.726 108.800 -0.017 0.000 2.750 80 G HA2 -0.070 3.890 3.960 0.001 0.000 0.250 80 G HA3 -0.070 3.890 3.960 0.001 0.000 0.250 80 G C 1.244 176.137 174.900 -0.012 0.000 1.230 80 G CA -0.556 44.535 45.100 -0.016 0.000 0.883 80 G HN 0.597 nan 8.290 nan 0.000 0.573 81 R N -0.418 120.076 120.500 -0.011 0.000 2.237 81 R HA -0.040 4.300 4.340 0.001 0.000 0.219 81 R C 2.096 178.392 176.300 -0.007 0.000 1.080 81 R CA 0.993 57.088 56.100 -0.009 0.000 0.995 81 R CB -0.175 30.120 30.300 -0.008 0.000 0.875 81 R HN 0.460 nan 8.270 nan 0.000 0.462 82 R N 0.984 121.480 120.500 -0.006 0.000 2.119 82 R HA -0.002 4.339 4.340 0.001 0.000 0.222 82 R C 0.687 176.984 176.300 -0.004 0.000 1.088 82 R CA 1.266 57.363 56.100 -0.005 0.000 0.984 82 R CB -0.045 30.253 30.300 -0.004 0.000 0.884 82 R HN 0.494 nan 8.270 nan 0.000 0.447 83 G N 0.333 109.130 108.800 -0.005 0.000 2.270 83 G HA2 -0.242 3.718 3.960 0.001 0.000 0.224 83 G HA3 -0.242 3.718 3.960 0.001 0.000 0.224 83 G C -0.530 174.369 174.900 -0.001 0.000 1.079 83 G CA 0.119 45.217 45.100 -0.004 0.000 0.807 83 G HN 0.393 nan 8.290 nan 0.000 0.492 84 E N -0.003 120.197 120.200 -0.001 0.000 2.255 84 E HA 0.521 4.871 4.350 0.001 0.000 0.256 84 E C 0.457 177.061 176.600 0.006 0.000 0.887 84 E CA -0.684 55.719 56.400 0.004 0.000 0.782 84 E CB 1.912 31.614 29.700 0.003 0.000 1.214 84 E HN 0.725 nan 8.360 nan 0.000 0.417 85 V N 1.399 121.323 119.914 0.016 0.000 2.997 85 V HA 0.366 4.486 4.120 0.001 0.000 0.311 85 V C 0.789 176.910 176.094 0.046 0.000 1.066 85 V CA -0.519 61.797 62.300 0.026 0.000 1.039 85 V CB 1.821 33.671 31.823 0.044 0.000 1.081 85 V HN 0.707 nan 8.190 nan 0.000 0.467 86 Q N 0.486 120.328 119.800 0.070 0.000 1.962 86 Q HA 0.196 4.537 4.340 0.001 0.000 0.204 86 Q C -0.109 175.978 176.000 0.145 0.000 0.979 86 Q CA 1.006 56.871 55.803 0.104 0.000 0.847 86 Q CB 0.042 28.857 28.738 0.127 0.000 0.906 86 Q HN 0.921 nan 8.270 nan 0.000 0.458 87 D N 0.540 121.106 120.400 0.277 0.000 2.163 87 D HA 0.374 5.014 4.640 0.001 0.000 0.248 87 D C -0.601 175.932 176.300 0.388 0.000 1.035 87 D CA -0.184 53.995 54.000 0.299 0.000 0.872 87 D CB 1.478 42.563 40.800 0.475 0.000 1.183 87 D HN 0.080 nan 8.370 nan 0.000 0.445 88 L N 2.183 123.496 121.223 0.149 0.000 2.342 88 L HA 0.457 4.797 4.340 0.001 0.000 0.271 88 L C -1.369 175.508 176.870 0.012 0.000 1.008 88 L CA -0.807 54.153 54.840 0.200 0.000 0.818 88 L CB 1.359 43.499 42.059 0.135 0.000 1.296 88 L HN 0.369 nan 8.230 nan 0.000 0.427 89 Y N 3.064 123.452 120.300 0.147 0.000 2.391 89 Y HA 0.393 4.943 4.550 0.001 0.000 0.341 89 Y C -0.452 175.409 175.900 -0.065 0.000 0.965 89 Y CA -0.659 57.479 58.100 0.064 0.000 1.067 89 Y CB 2.176 40.669 38.460 0.055 0.000 1.199 89 Y HN 0.321 nan 8.280 nan 0.000 0.450 90 L N 4.670 125.864 121.223 -0.049 0.000 2.265 90 L HA 0.702 5.042 4.340 0.001 0.000 0.289 90 L C -1.308 175.502 176.870 -0.101 0.000 1.033 90 L CA -0.653 54.042 54.840 -0.241 0.000 0.814 90 L CB 0.915 42.667 42.059 -0.512 0.000 1.203 90 L HN 0.409 nan 8.230 nan 0.000 0.423 91 V N 5.318 125.171 119.914 -0.102 0.000 2.326 91 V HA 0.625 4.746 4.120 0.001 0.000 0.281 91 V C 0.709 176.722 176.094 -0.136 0.000 1.015 91 V CA -0.475 61.775 62.300 -0.083 0.000 0.823 91 V CB 1.076 32.857 31.823 -0.070 0.000 1.009 91 V HN 0.891 nan 8.190 nan 0.000 0.436 92 G N 3.695 112.414 108.800 -0.135 0.000 2.372 92 G HA2 0.527 4.487 3.960 0.001 0.000 0.283 92 G HA3 0.527 4.487 3.960 0.001 0.000 0.283 92 G C 0.088 174.824 174.900 -0.273 0.000 1.177 92 G CA -0.569 44.427 45.100 -0.173 0.000 0.842 92 G HN 0.665 nan 8.290 nan 0.000 0.503 93 R N 1.638 121.916 120.500 -0.370 0.000 2.903 93 R HA 0.333 4.673 4.340 0.001 0.000 0.363 93 R C 0.875 176.999 176.300 -0.292 0.000 1.161 93 R CA 0.177 55.845 56.100 -0.720 0.000 1.109 93 R CB 0.847 30.487 30.300 -1.100 0.000 1.399 93 R HN 0.980 nan 8.270 nan 0.000 0.587 94 G N 1.189 109.835 108.800 -0.257 0.000 2.165 94 G HA2 -0.220 3.740 3.960 0.001 0.000 0.226 94 G HA3 -0.220 3.740 3.960 0.001 0.000 0.226 94 G C -0.488 174.244 174.900 -0.279 0.000 1.035 94 G CA -0.197 44.788 45.100 -0.191 0.000 0.744 94 G HN 0.403 nan 8.290 nan 0.000 0.501 95 D N 0.582 120.885 120.400 -0.162 0.000 2.339 95 D HA 0.420 5.061 4.640 0.001 0.000 0.241 95 D C -0.840 175.361 176.300 -0.165 0.000 1.183 95 D CA -1.746 52.168 54.000 -0.142 0.000 0.859 95 D CB 1.444 42.245 40.800 0.002 0.000 1.067 95 D HN 0.191 nan 8.370 nan 0.000 0.484 96 P HA 0.086 nan 4.420 nan 0.000 0.262 96 P C 0.541 177.788 177.300 -0.089 0.000 1.304 96 P CA 0.220 63.250 63.100 -0.117 0.000 0.859 96 P CB 0.281 31.850 31.700 -0.219 0.000 1.310 97 T N -4.581 109.847 114.554 -0.211 0.000 3.043 97 T HA 0.149 4.499 4.350 0.001 0.000 0.272 97 T C 0.628 175.279 174.700 -0.082 0.000 0.990 97 T CA -0.331 61.510 62.100 -0.431 0.000 0.897 97 T CB -0.261 68.040 68.868 -0.945 0.000 1.111 97 T HN -0.087 nan 8.240 nan 0.000 0.529 98 L N 4.851 126.065 121.223 -0.016 0.000 2.699 98 L HA 0.251 4.591 4.340 0.001 0.000 0.283 98 L C 0.404 177.299 176.870 0.042 0.000 1.166 98 L CA 0.472 55.297 54.840 -0.024 0.000 1.043 98 L CB -0.962 41.071 42.059 -0.043 0.000 1.369 98 L HN 0.564 nan 8.230 nan 0.000 0.462 99 S N 3.122 118.858 115.700 0.061 0.000 2.632 99 S HA 0.406 4.876 4.470 0.001 0.000 0.271 99 S C 1.361 175.977 174.600 0.026 0.000 1.260 99 S CA -0.206 58.051 58.200 0.096 0.000 1.010 99 S CB 1.636 64.926 63.200 0.150 0.000 0.965 99 S HN 0.649 nan 8.310 nan 0.000 0.534 100 A N 0.653 123.494 122.820 0.035 0.000 2.084 100 A HA -0.105 4.216 4.320 0.001 0.000 0.221 100 A C 2.021 179.609 177.584 0.007 0.000 1.161 100 A CA 1.915 53.965 52.037 0.022 0.000 0.653 100 A CB -1.007 18.006 19.000 0.022 0.000 0.802 100 A HN 0.948 nan 8.150 nan 0.000 0.457 101 E N 0.548 120.752 120.200 0.007 0.000 2.028 101 E HA -0.133 4.218 4.350 0.001 0.000 0.190 101 E C 1.440 178.038 176.600 -0.004 0.000 0.984 101 E CA 1.408 57.812 56.400 0.007 0.000 0.800 101 E CB -0.143 29.572 29.700 0.025 0.000 0.758 101 E HN 0.571 nan 8.360 nan 0.000 0.448 102 D N 0.582 120.954 120.400 -0.048 0.000 2.149 102 D HA -0.179 4.461 4.640 0.001 0.000 0.198 102 D C 1.880 178.120 176.300 -0.101 0.000 0.990 102 D CA 0.588 54.485 54.000 -0.172 0.000 0.839 102 D CB -0.219 40.222 40.800 -0.599 0.000 0.948 102 D HN 0.197 nan 8.370 nan 0.000 0.460 103 L N 1.193 122.393 121.223 -0.039 0.000 2.131 103 L HA -0.183 4.158 4.340 0.001 0.000 0.210 103 L C 1.797 178.717 176.870 0.082 0.000 1.092 103 L CA 1.742 56.635 54.840 0.088 0.000 0.759 103 L CB -0.568 41.548 42.059 0.094 0.000 0.903 103 L HN -0.046 nan 8.230 nan 0.000 0.435 104 D N -0.696 119.708 120.400 0.007 0.000 2.162 104 D HA -0.086 4.555 4.640 0.001 0.000 0.205 104 D C 2.139 178.427 176.300 -0.020 0.000 0.964 104 D CA 1.178 55.155 54.000 -0.038 0.000 0.847 104 D CB 0.268 41.048 40.800 -0.035 0.000 0.988 104 D HN 0.261 nan 8.370 nan 0.000 0.480 105 A N 0.268 123.100 122.820 0.019 0.000 1.933 105 A HA -0.100 4.220 4.320 0.001 0.000 0.218 105 A C 2.310 179.931 177.584 0.063 0.000 1.175 105 A CA 1.270 53.331 52.037 0.040 0.000 0.628 105 A CB -0.658 18.383 19.000 0.068 0.000 0.814 105 A HN 0.329 nan 8.150 nan 0.000 0.444 106 M N -0.680 118.983 119.600 0.106 0.000 2.296 106 M HA -0.112 4.368 4.480 0.001 0.000 0.265 106 M C 2.343 178.740 176.300 0.162 0.000 1.064 106 M CA 1.141 56.542 55.300 0.169 0.000 1.109 106 M CB -0.317 32.431 32.600 0.247 0.000 1.396 106 M HN 0.510 nan 8.290 nan 0.000 0.430 107 A N -0.008 122.821 122.820 0.014 0.000 2.014 107 A HA 0.135 4.455 4.320 0.001 0.000 0.218 107 A C 2.238 179.762 177.584 -0.100 0.000 1.163 107 A CA 1.463 53.376 52.037 -0.206 0.000 0.652 107 A CB -0.485 18.254 19.000 -0.436 0.000 0.808 107 A HN 0.469 nan 8.150 nan 0.000 0.449 108 A N -0.480 122.315 122.820 -0.042 0.000 2.072 108 A HA 0.045 4.366 4.320 0.001 0.000 0.216 108 A C 1.811 179.397 177.584 0.003 0.000 1.156 108 A CA 0.941 52.964 52.037 -0.024 0.000 0.701 108 A CB -0.229 18.761 19.000 -0.016 0.000 0.816 108 A HN 0.546 nan 8.150 nan 0.000 0.458 109 E N -0.169 120.049 120.200 0.030 0.000 2.107 109 E HA -0.094 4.257 4.350 0.001 0.000 0.191 109 E C 1.916 178.541 176.600 0.043 0.000 0.982 109 E CA 1.088 57.513 56.400 0.042 0.000 0.809 109 E CB -0.154 29.586 29.700 0.066 0.000 0.756 109 E HN 0.387 nan 8.360 nan 0.000 0.459 110 V N 1.585 121.532 119.914 0.054 0.000 2.295 110 V HA -0.281 3.840 4.120 0.001 0.000 0.246 110 V C 2.379 178.485 176.094 0.021 0.000 1.049 110 V CA 1.926 64.259 62.300 0.055 0.000 1.024 110 V CB -0.657 31.214 31.823 0.081 0.000 0.648 110 V HN 0.281 nan 8.190 nan 0.000 0.447 111 A N -0.019 122.801 122.820 -0.000 0.000 1.858 111 A HA -0.008 4.313 4.320 0.001 0.000 0.216 111 A C 1.916 179.499 177.584 -0.002 0.000 1.190 111 A CA 1.652 53.683 52.037 -0.009 0.000 0.617 111 A CB -0.651 18.335 19.000 -0.023 0.000 0.827 111 A HN 0.660 nan 8.150 nan 0.000 0.443 112 A N -0.131 122.691 122.820 0.002 0.000 3.117 112 A HA 0.483 4.804 4.320 0.001 0.000 0.255 112 A C 1.080 178.669 177.584 0.008 0.000 1.583 112 A CA 0.722 52.761 52.037 0.003 0.000 1.234 112 A CB -0.769 18.233 19.000 0.003 0.000 1.076 112 A HN 1.074 nan 8.150 nan 0.000 0.653 113 S N -2.936 112.770 115.700 0.009 0.000 2.560 113 S HA 0.444 4.915 4.470 0.001 0.000 0.281 113 S C 1.056 175.659 174.600 0.005 0.000 1.075 113 S CA 0.925 59.130 58.200 0.009 0.000 1.295 113 S CB 0.059 63.269 63.200 0.016 0.000 1.156 113 S HN 1.718 nan 8.310 nan 0.000 0.627 114 G N 0.903 109.705 108.800 0.005 0.000 2.977 114 G HA2 -0.005 3.956 3.960 0.001 0.000 0.211 114 G HA3 -0.005 3.956 3.960 0.001 0.000 0.211 114 G C -0.142 174.759 174.900 0.002 0.000 0.994 114 G CA -0.024 45.077 45.100 0.001 0.000 0.795 114 G HN 0.773 nan 8.290 nan 0.000 0.518 115 V N 1.128 121.046 119.914 0.007 0.000 2.881 115 V HA 0.577 4.698 4.120 0.001 0.000 0.303 115 V C 1.275 177.370 176.094 0.001 0.000 1.070 115 V CA 0.587 62.892 62.300 0.009 0.000 1.074 115 V CB 1.305 33.142 31.823 0.023 0.000 1.012 115 V HN 0.470 nan 8.190 nan 0.000 0.482 116 R N 0.713 121.213 120.500 -0.001 0.000 2.702 116 R HA 0.277 4.618 4.340 0.001 0.000 0.223 116 R C -0.278 176.017 176.300 -0.009 0.000 0.953 116 R CA -0.080 56.015 56.100 -0.008 0.000 1.068 116 R CB 0.876 31.171 30.300 -0.007 0.000 1.600 116 R HN 0.672 nan 8.270 nan 0.000 0.602 117 T N 1.005 115.558 114.554 -0.002 0.000 3.041 117 T HA 0.312 4.663 4.350 0.001 0.000 0.321 117 T C -1.202 173.502 174.700 0.007 0.000 1.184 117 T CA -0.510 61.588 62.100 -0.002 0.000 1.050 117 T CB 3.081 71.947 68.868 -0.003 0.000 1.159 117 T HN -0.181 nan 8.240 nan 0.000 0.469 118 V N 3.617 123.534 119.914 0.005 0.000 2.311 118 V HA 0.368 4.488 4.120 0.001 0.000 0.275 118 V C 1.398 177.493 176.094 0.003 0.000 1.022 118 V CA -0.520 61.788 62.300 0.012 0.000 0.830 118 V CB 0.965 32.795 31.823 0.011 0.000 1.012 118 V HN 0.812 nan 8.190 nan 0.000 0.452 119 R N 3.574 124.081 120.500 0.012 0.000 2.119 119 R HA 0.075 4.415 4.340 0.001 0.000 0.222 119 R C 1.540 177.844 176.300 0.007 0.000 1.088 119 R CA 1.405 57.511 56.100 0.010 0.000 0.984 119 R CB -0.026 30.284 30.300 0.017 0.000 0.884 119 R HN 0.815 nan 8.270 nan 0.000 0.447 120 G N -0.559 108.249 108.800 0.013 0.000 3.286 120 G HA2 0.080 4.040 3.960 0.001 0.000 0.173 120 G HA3 0.080 4.040 3.960 0.001 0.000 0.173 120 G C -0.697 174.164 174.900 -0.065 0.000 1.704 120 G CA -0.312 44.791 45.100 0.004 0.000 1.041 120 G HN 0.175 nan 8.290 nan 0.000 0.561 121 D N -0.501 119.815 120.400 -0.139 0.000 2.269 121 D HA 0.491 5.132 4.640 0.001 0.000 0.244 121 D C -0.953 175.021 176.300 -0.543 0.000 0.992 121 D CA -0.309 53.459 54.000 -0.387 0.000 0.894 121 D CB 2.652 43.090 40.800 -0.604 0.000 1.248 121 D HN 0.121 nan 8.370 nan 0.000 0.468 122 L N 1.824 122.707 121.223 -0.568 0.000 2.317 122 L HA 0.445 4.786 4.340 0.001 0.000 0.281 122 L C -1.632 174.847 176.870 -0.652 0.000 1.024 122 L CA -0.345 54.215 54.840 -0.467 0.000 0.810 122 L CB 0.867 42.831 42.059 -0.158 0.000 1.240 122 L HN 0.314 nan 8.230 nan 0.000 0.427 123 Y N 2.984 123.088 120.300 -0.328 0.000 2.512 123 Y HA 0.741 5.291 4.550 0.001 0.000 0.348 123 Y C -0.056 175.731 175.900 -0.189 0.000 0.990 123 Y CA -1.122 56.793 58.100 -0.308 0.000 1.033 123 Y CB 2.171 40.286 38.460 -0.574 0.000 1.259 123 Y HN 0.723 nan 8.280 nan 0.000 0.461 124 A N 2.025 124.907 122.820 0.103 0.000 2.276 124 A HA 0.380 4.701 4.320 0.001 0.000 0.316 124 A C -1.147 176.485 177.584 0.081 0.000 1.229 124 A CA -0.473 51.593 52.037 0.049 0.000 0.851 124 A CB 0.407 19.427 19.000 0.034 0.000 1.165 124 A HN 0.648 nan 8.150 nan 0.000 0.513 125 D N 2.643 123.086 120.400 0.072 0.000 2.460 125 D HA 0.215 4.856 4.640 0.001 0.000 0.232 125 D C -0.543 175.766 176.300 0.015 0.000 1.079 125 D CA -0.281 53.760 54.000 0.069 0.000 0.864 125 D CB 1.181 42.045 40.800 0.106 0.000 1.048 125 D HN 0.542 nan 8.370 nan 0.000 0.523 126 D N 1.483 121.894 120.400 0.018 0.000 2.440 126 D HA -0.085 4.556 4.640 0.001 0.000 0.216 126 D C 1.242 177.563 176.300 0.034 0.000 1.150 126 D CA -0.074 53.927 54.000 0.001 0.000 0.832 126 D CB -0.283 40.520 40.800 0.006 0.000 0.992 126 D HN 0.315 nan 8.370 nan 0.000 0.502 127 T N -3.645 110.940 114.554 0.050 0.000 3.118 127 T HA -0.185 4.166 4.350 0.001 0.000 0.269 127 T C 1.408 176.179 174.700 0.118 0.000 1.166 127 T CA 0.121 62.258 62.100 0.062 0.000 1.073 127 T CB -1.077 67.809 68.868 0.030 0.000 0.884 127 T HN 0.420 nan 8.240 nan 0.000 0.550 128 W N 0.811 122.039 121.300 -0.120 0.000 2.363 128 W HA 0.056 4.717 4.660 0.001 0.000 0.296 128 W C -0.400 176.122 176.519 0.005 0.000 1.212 128 W CA 0.165 57.424 57.345 -0.143 0.000 1.260 128 W CB 0.072 29.340 29.460 -0.319 0.000 1.131 128 W HN 0.160 nan 8.180 nan 0.000 0.530 129 F N 1.482 121.420 119.950 -0.020 0.000 2.457 129 F HA 0.172 4.699 4.527 0.001 0.000 0.330 129 F C 0.697 176.417 175.800 -0.134 0.000 1.069 129 F CA -1.898 56.000 58.000 -0.170 0.000 1.009 129 F CB -0.492 38.410 39.000 -0.163 0.000 1.276 129 F HN -0.207 nan 8.300 nan 0.000 0.492 130 D N -1.268 119.149 120.400 0.028 0.000 2.384 130 D HA 0.045 4.686 4.640 0.001 0.000 0.244 130 D C 0.902 177.205 176.300 0.004 0.000 1.251 130 D CA -0.205 53.785 54.000 -0.018 0.000 0.961 130 D CB 0.345 41.104 40.800 -0.069 0.000 1.116 130 D HN 0.356 nan 8.370 nan 0.000 0.484 131 S N -1.215 114.491 115.700 0.009 0.000 2.603 131 S HA -0.103 4.367 4.470 0.001 0.000 0.220 131 S C 0.471 175.092 174.600 0.035 0.000 0.967 131 S CA -0.235 57.981 58.200 0.027 0.000 0.920 131 S CB -0.598 62.617 63.200 0.025 0.000 0.773 131 S HN 0.452 nan 8.310 nan 0.000 0.529 132 E N 1.675 121.890 120.200 0.024 0.000 2.081 132 E HA 0.071 4.422 4.350 0.001 0.000 0.270 132 E C 0.689 177.370 176.600 0.135 0.000 1.180 132 E CA -0.290 56.167 56.400 0.095 0.000 0.926 132 E CB 0.324 30.123 29.700 0.165 0.000 1.035 132 E HN 0.291 nan 8.360 nan 0.000 0.418 133 R N 2.567 123.153 120.500 0.142 0.000 2.161 133 R HA 0.177 4.517 4.340 0.001 0.000 0.213 133 R C 0.468 176.909 176.300 0.235 0.000 1.055 133 R CA 0.587 56.784 56.100 0.162 0.000 0.996 133 R CB 0.034 30.412 30.300 0.129 0.000 0.901 133 R HN 0.432 nan 8.270 nan 0.000 0.456 134 L N -0.373 120.937 121.223 0.145 0.000 2.424 134 L HA 0.384 4.724 4.340 0.001 0.000 0.258 134 L C -0.547 175.981 176.870 -0.570 0.000 0.995 134 L CA -1.130 53.624 54.840 -0.144 0.000 0.821 134 L CB 2.733 44.809 42.059 0.029 0.000 1.383 134 L HN -0.356 nan 8.230 nan 0.000 0.410 135 V N 0.940 120.006 119.914 -1.413 0.000 2.637 135 V HA -0.024 4.096 4.120 0.001 0.000 0.296 135 V C 0.578 176.252 176.094 -0.699 0.000 1.046 135 V CA -0.005 61.436 62.300 -1.431 0.000 1.066 135 V CB 1.071 31.648 31.823 -2.077 0.000 0.968 135 V HN 0.972 nan 8.190 nan 0.000 0.483 136 D N 3.516 123.637 120.400 -0.466 0.000 2.200 136 D HA -0.276 4.365 4.640 0.001 0.000 0.192 136 D C 0.991 177.212 176.300 -0.131 0.000 1.008 136 D CA 1.932 55.796 54.000 -0.226 0.000 0.872 136 D CB -0.296 40.398 40.800 -0.177 0.000 0.923 136 D HN 0.816 nan 8.370 nan 0.000 0.447 137 D N -2.001 118.310 120.400 -0.149 0.000 2.424 137 D HA 0.001 4.642 4.640 0.001 0.000 0.220 137 D C -0.544 175.805 176.300 0.082 0.000 1.150 137 D CA -0.825 53.163 54.000 -0.019 0.000 0.831 137 D CB -0.706 40.066 40.800 -0.046 0.000 0.981 137 D HN 0.169 nan 8.370 nan 0.000 0.500 138 W N 1.050 122.259 121.300 -0.151 0.000 2.218 138 W HA 0.249 4.909 4.660 0.001 0.000 0.326 138 W C 0.473 177.001 176.519 0.016 0.000 1.276 138 W CA -1.285 55.973 57.345 -0.145 0.000 1.210 138 W CB 0.173 29.583 29.460 -0.084 0.000 1.143 138 W HN -0.030 nan 8.180 nan 0.000 0.563 139 W N 5.606 127.020 121.300 0.190 0.000 2.368 139 W HA 0.086 4.746 4.660 0.001 0.000 0.316 139 W C -1.009 175.579 176.519 0.115 0.000 1.375 139 W CA -2.266 55.150 57.345 0.118 0.000 1.261 139 W CB -0.458 29.051 29.460 0.082 0.000 1.298 139 W HN 0.255 nan 8.180 nan 0.000 0.539 140 P HA -0.250 nan 4.420 nan 0.000 0.217 140 P C 1.095 178.483 177.300 0.147 0.000 1.148 140 P CA 2.055 65.268 63.100 0.188 0.000 0.828 140 P CB 0.161 31.938 31.700 0.128 0.000 0.783 141 E N -0.673 119.621 120.200 0.158 0.000 2.511 141 E HA -0.101 4.250 4.350 0.001 0.000 0.196 141 E C 0.598 177.312 176.600 0.189 0.000 1.066 141 E CA 0.615 57.084 56.400 0.116 0.000 0.871 141 E CB -0.657 29.077 29.700 0.057 0.000 0.863 141 E HN 0.252 nan 8.360 nan 0.000 0.520 142 D N 1.506 122.051 120.400 0.241 0.000 2.346 142 D HA 0.001 4.641 4.640 0.001 0.000 0.206 142 D C 1.452 177.765 176.300 0.022 0.000 1.001 142 D CA 0.159 54.303 54.000 0.240 0.000 0.871 142 D CB 0.167 41.125 40.800 0.262 0.000 0.943 142 D HN 0.305 nan 8.370 nan 0.000 0.518 143 E N 0.640 120.848 120.200 0.013 0.000 2.114 143 E HA -0.186 4.165 4.350 0.001 0.000 0.199 143 E C -0.807 175.696 176.600 -0.162 0.000 1.008 143 E CA 1.229 57.607 56.400 -0.037 0.000 0.810 143 E CB -0.660 29.055 29.700 0.024 0.000 0.739 143 E HN 0.293 nan 8.360 nan 0.000 0.456 144 P HA -0.128 nan 4.420 nan 0.000 0.222 144 P C -0.399 176.611 177.300 -0.483 0.000 1.147 144 P CA 1.077 63.924 63.100 -0.422 0.000 0.790 144 P CB -0.012 31.334 31.700 -0.591 0.000 0.780 145 Y N -1.282 118.875 120.300 -0.239 0.000 2.304 145 Y HA 0.349 4.899 4.550 0.001 0.000 0.327 145 Y C 2.057 177.738 175.900 -0.366 0.000 1.209 145 Y CA -0.732 57.176 58.100 -0.321 0.000 1.299 145 Y CB 0.179 38.361 38.460 -0.464 0.000 1.249 145 Y HN -0.158 nan 8.280 nan 0.000 0.519 146 A N 2.661 125.466 122.820 -0.026 0.000 1.896 146 A HA -0.325 3.996 4.320 0.001 0.000 0.220 146 A C 1.775 179.347 177.584 -0.020 0.000 1.206 146 A CA 2.518 54.551 52.037 -0.007 0.000 0.647 146 A CB -1.594 17.439 19.000 0.055 0.000 0.828 146 A HN 0.972 nan 8.150 nan 0.000 0.455 147 Y N -1.621 118.698 120.300 0.032 0.000 2.680 147 Y HA 0.279 4.830 4.550 0.001 0.000 0.303 147 Y C 1.615 177.454 175.900 -0.102 0.000 1.166 147 Y CA 0.880 58.959 58.100 -0.035 0.000 1.344 147 Y CB -0.539 37.880 38.460 -0.069 0.000 1.002 147 Y HN 0.182 nan 8.280 nan 0.000 0.537 148 S N 0.170 115.679 115.700 -0.318 0.000 2.843 148 S HA 0.652 5.123 4.470 0.001 0.000 0.249 148 S C 0.394 175.006 174.600 0.019 0.000 1.047 148 S CA -0.274 57.794 58.200 -0.221 0.000 1.042 148 S CB -0.948 62.061 63.200 -0.319 0.000 0.936 148 S HN 0.600 nan 8.310 nan 0.000 0.531 149 A N 1.408 124.262 122.820 0.057 0.000 2.386 149 A HA 0.463 4.784 4.320 0.001 0.000 0.248 149 A C 0.343 178.058 177.584 0.219 0.000 1.082 149 A CA -0.229 51.875 52.037 0.110 0.000 0.789 149 A CB 0.207 19.260 19.000 0.089 0.000 1.025 149 A HN 0.698 nan 8.150 nan 0.000 0.490 150 Q N 0.504 120.417 119.800 0.189 0.000 2.364 150 Q HA 0.204 4.544 4.340 0.001 0.000 0.267 150 Q C -0.571 175.550 176.000 0.202 0.000 0.999 150 Q CA -0.090 55.838 55.803 0.209 0.000 0.886 150 Q CB 0.561 29.391 28.738 0.154 0.000 1.243 150 Q HN 0.507 nan 8.270 nan 0.000 0.415 151 I N 1.809 122.503 120.570 0.207 0.000 2.325 151 I HA 0.206 4.377 4.170 0.001 0.000 0.291 151 I C 0.227 176.417 176.117 0.121 0.000 1.019 151 I CA 0.235 61.624 61.300 0.147 0.000 1.302 151 I CB 0.569 38.604 38.000 0.058 0.000 1.401 151 I HN 0.505 nan 8.210 nan 0.000 0.485 152 S N 4.138 119.937 115.700 0.165 0.000 2.564 152 S HA 0.707 5.178 4.470 0.001 0.000 0.274 152 S C 0.646 175.354 174.600 0.180 0.000 1.124 152 S CA -0.024 58.276 58.200 0.167 0.000 0.869 152 S CB 1.934 65.193 63.200 0.098 0.000 1.105 152 S HN 0.658 nan 8.310 nan 0.000 0.472 153 A N 2.697 125.535 122.820 0.030 0.000 2.066 153 A HA 0.298 4.618 4.320 0.001 0.000 0.218 153 A C 0.834 178.323 177.584 -0.158 0.000 1.157 153 A CA 0.585 52.423 52.037 -0.331 0.000 0.670 153 A CB -0.291 18.316 19.000 -0.655 0.000 0.804 153 A HN 0.725 nan 8.150 nan 0.000 0.453 154 L N 1.094 122.277 121.223 -0.067 0.000 2.335 154 L HA 0.378 4.718 4.340 0.001 0.000 0.268 154 L C -0.756 176.108 176.870 -0.010 0.000 1.037 154 L CA 0.038 54.847 54.840 -0.052 0.000 0.895 154 L CB 0.933 42.960 42.059 -0.052 0.000 1.266 154 L HN 0.192 nan 8.230 nan 0.000 0.439 155 T N 2.547 117.104 114.554 0.004 0.000 2.912 155 T HA 0.453 4.804 4.350 0.001 0.000 0.299 155 T C -0.763 173.964 174.700 0.045 0.000 1.052 155 T CA -0.303 61.819 62.100 0.036 0.000 0.996 155 T CB 1.852 70.763 68.868 0.073 0.000 1.070 155 T HN 0.098 nan 8.240 nan 0.000 0.465 156 V N 4.434 124.381 119.914 0.053 0.000 2.432 156 V HA 0.611 4.731 4.120 0.001 0.000 0.271 156 V C 0.866 177.041 176.094 0.134 0.000 1.046 156 V CA -0.635 61.710 62.300 0.075 0.000 0.945 156 V CB 0.676 32.535 31.823 0.060 0.000 0.992 156 V HN 1.078 nan 8.190 nan 0.000 0.471 157 A N 4.157 127.083 122.820 0.177 0.000 2.366 157 A HA 0.486 4.807 4.320 0.001 0.000 0.272 157 A C -0.293 177.450 177.584 0.264 0.000 1.135 157 A CA -0.232 51.975 52.037 0.283 0.000 0.804 157 A CB -0.118 19.138 19.000 0.426 0.000 1.064 157 A HN 1.004 nan 8.150 nan 0.000 0.499 158 H N 1.531 120.687 119.070 0.145 0.000 2.467 158 H HA 0.526 5.082 4.556 0.001 0.000 0.326 158 H C 0.826 176.152 175.328 -0.004 0.000 1.094 158 H CA 1.067 57.154 56.048 0.065 0.000 1.253 158 H CB 0.867 30.654 29.762 0.041 0.000 1.439 158 H HN 1.495 nan 8.280 nan 0.000 0.479 159 G N 3.596 112.086 108.800 -0.516 0.000 2.752 159 G HA2 -0.315 3.646 3.960 0.001 0.000 0.234 159 G HA3 -0.315 3.646 3.960 0.001 0.000 0.234 159 G C 0.822 175.446 174.900 -0.460 0.000 1.367 159 G CA 0.275 45.131 45.100 -0.407 0.000 0.879 159 G HN 0.875 nan 8.290 nan 0.000 0.563 160 E N -0.466 119.499 120.200 -0.392 0.000 2.435 160 E HA 0.051 4.402 4.350 0.001 0.000 0.195 160 E C 2.050 178.350 176.600 -0.501 0.000 1.029 160 E CA 0.774 56.858 56.400 -0.527 0.000 0.865 160 E CB 0.045 29.686 29.700 -0.099 0.000 0.833 160 E HN 0.570 nan 8.360 nan 0.000 0.510 161 R N -0.045 120.288 120.500 -0.277 0.000 2.310 161 R HA 0.137 4.478 4.340 0.001 0.000 0.202 161 R C -0.303 176.110 176.300 0.188 0.000 0.933 161 R CA 0.108 56.182 56.100 -0.044 0.000 1.054 161 R CB -0.309 29.776 30.300 -0.358 0.000 0.985 161 R HN 0.105 nan 8.270 nan 0.000 0.489 162 F N 1.258 121.350 119.950 0.237 0.000 3.067 162 F HA -0.228 4.300 4.527 0.001 0.000 0.279 162 F C -0.664 175.278 175.800 0.237 0.000 0.945 162 F CA 0.181 58.344 58.000 0.271 0.000 0.948 162 F CB -1.741 37.480 39.000 0.369 0.000 0.898 162 F HN 0.061 nan 8.300 nan 0.000 0.746 163 D N 1.271 121.817 120.400 0.244 0.000 2.363 163 D HA 0.154 4.795 4.640 0.001 0.000 0.263 163 D C 0.957 177.369 176.300 0.186 0.000 1.258 163 D CA 0.587 54.680 54.000 0.155 0.000 0.907 163 D CB 0.882 41.738 40.800 0.094 0.000 1.107 163 D HN 0.364 nan 8.370 nan 0.000 0.495 164 T N -1.328 113.323 114.554 0.161 0.000 2.874 164 T HA 0.468 4.818 4.350 0.001 0.000 0.281 164 T C 1.345 176.115 174.700 0.117 0.000 0.994 164 T CA -0.045 62.151 62.100 0.161 0.000 1.015 164 T CB 1.553 70.522 68.868 0.169 0.000 1.028 164 T HN 0.529 nan 8.240 nan 0.000 0.523 165 G N 0.083 108.946 108.800 0.105 0.000 2.186 165 G HA2 -0.221 3.740 3.960 0.001 0.000 0.266 165 G HA3 -0.221 3.740 3.960 0.001 0.000 0.266 165 G C 0.267 175.204 174.900 0.060 0.000 0.982 165 G CA 0.669 45.819 45.100 0.084 0.000 0.670 165 G HN 1.736 nan 8.290 nan 0.000 0.533 166 V N -3.710 116.236 119.914 0.052 0.000 3.345 166 V HA 1.018 5.139 4.120 0.001 0.000 0.308 166 V C 0.212 176.296 176.094 -0.017 0.000 1.168 166 V CA 0.098 62.399 62.300 0.001 0.000 1.024 166 V CB 1.942 33.741 31.823 -0.040 0.000 1.211 166 V HN 1.180 nan 8.190 nan 0.000 0.461 167 T N -0.198 114.305 114.554 -0.084 0.000 3.159 167 T HA 0.310 4.660 4.350 0.001 0.000 0.343 167 T C -1.233 173.386 174.700 -0.136 0.000 1.364 167 T CA -0.363 61.696 62.100 -0.068 0.000 1.102 167 T CB 1.588 70.463 68.868 0.012 0.000 1.263 167 T HN 1.136 nan 8.240 nan 0.000 0.477 168 E N 3.358 123.479 120.200 -0.131 0.000 2.070 168 E HA 0.489 4.840 4.350 0.001 0.000 0.282 168 E C -0.607 175.979 176.600 -0.024 0.000 1.104 168 E CA -0.478 55.862 56.400 -0.099 0.000 0.876 168 E CB 0.489 30.180 29.700 -0.015 0.000 1.055 168 E HN 0.471 nan 8.360 nan 0.000 0.401 169 V N 4.338 124.235 119.914 -0.027 0.000 2.406 169 V HA 0.196 4.317 4.120 0.001 0.000 0.272 169 V C -0.082 176.012 176.094 0.000 0.000 1.043 169 V CA -0.473 61.823 62.300 -0.007 0.000 0.915 169 V CB 1.449 33.265 31.823 -0.011 0.000 0.988 169 V HN 0.605 nan 8.190 nan 0.000 0.466 170 S N 4.098 119.804 115.700 0.009 0.000 2.451 170 S HA 0.655 5.126 4.470 0.001 0.000 0.301 170 S C -0.338 174.268 174.600 0.010 0.000 1.116 170 S CA -0.522 57.685 58.200 0.012 0.000 1.093 170 S CB 1.670 64.880 63.200 0.017 0.000 1.017 170 S HN 0.466 nan 8.310 nan 0.000 0.482 171 V N 3.237 123.157 119.914 0.009 0.000 2.448 171 V HA 0.591 4.712 4.120 0.001 0.000 0.295 171 V C 0.116 176.215 176.094 0.008 0.000 1.025 171 V CA -0.481 61.823 62.300 0.008 0.000 0.859 171 V CB 1.845 33.672 31.823 0.007 0.000 0.988 171 V HN 0.831 nan 8.190 nan 0.000 0.431 172 T N 6.684 121.243 114.554 0.008 0.000 2.876 172 T HA 0.558 4.909 4.350 0.001 0.000 0.289 172 T C -2.873 171.831 174.700 0.006 0.000 1.014 172 T CA -1.257 60.847 62.100 0.008 0.000 0.986 172 T CB 2.536 71.409 68.868 0.009 0.000 1.021 172 T HN 0.486 nan 8.240 nan 0.000 0.458 173 P HA 0.448 nan 4.420 nan 0.000 0.280 173 P C -0.561 176.741 177.300 0.005 0.000 1.244 173 P CA -0.309 62.794 63.100 0.005 0.000 0.784 173 P CB 1.156 32.859 31.700 0.005 0.000 0.913 174 A N 3.590 126.412 122.820 0.004 0.000 3.763 174 A HA 0.702 5.023 4.320 0.001 0.000 0.173 174 A C 0.253 177.839 177.584 0.003 0.000 1.783 174 A CA 0.136 52.175 52.037 0.004 0.000 1.617 174 A CB -0.644 18.358 19.000 0.003 0.000 1.579 174 A HN 0.577 nan 8.150 nan 0.000 0.614 175 A N -0.457 122.365 122.820 0.003 0.000 2.331 175 A HA 0.549 4.870 4.320 0.001 0.000 0.320 175 A C -0.100 177.485 177.584 0.002 0.000 1.138 175 A CA -0.415 51.624 52.037 0.002 0.000 0.790 175 A CB 0.249 19.250 19.000 0.002 0.000 1.206 175 A HN 0.708 nan 8.150 nan 0.000 0.470 176 E N 1.039 121.241 120.200 0.002 0.000 3.417 176 E HA 0.010 4.361 4.350 0.001 0.000 0.279 176 E C 1.369 177.969 176.600 0.001 0.000 0.851 176 E CA 1.832 58.233 56.400 0.002 0.000 0.980 176 E CB 0.019 29.719 29.700 0.001 0.000 0.934 176 E HN 1.765 nan 8.360 nan 0.000 0.541 177 G N 3.632 112.432 108.800 0.001 0.000 2.258 177 G HA2 -0.295 3.666 3.960 0.001 0.000 0.233 177 G HA3 -0.295 3.666 3.960 0.001 0.000 0.233 177 G C 0.088 174.988 174.900 0.000 0.000 1.006 177 G CA 0.308 45.408 45.100 0.001 0.000 0.620 177 G HN 0.603 nan 8.290 nan 0.000 0.511 178 E N 2.446 122.647 120.200 0.001 0.000 2.349 178 E HA 0.400 4.751 4.350 0.001 0.000 0.265 178 E C -2.145 174.455 176.600 0.001 0.000 1.064 178 E CA -1.640 54.760 56.400 0.001 0.000 0.886 178 E CB 1.171 30.872 29.700 0.001 0.000 1.036 178 E HN 0.219 nan 8.360 nan 0.000 0.413 179 P HA -0.001 nan 4.420 nan 0.000 0.269 179 P C -0.902 176.398 177.300 0.001 0.000 1.209 179 P CA -0.042 63.058 63.100 0.000 0.000 0.776 179 P CB 0.715 32.415 31.700 -0.000 0.000 0.876 180 A N 3.108 125.929 122.820 0.002 0.000 2.346 180 A HA 0.210 4.531 4.320 0.001 0.000 0.252 180 A C 0.064 177.650 177.584 0.003 0.000 1.089 180 A CA -0.188 51.850 52.037 0.003 0.000 0.797 180 A CB -0.200 18.802 19.000 0.003 0.000 1.047 180 A HN 0.495 nan 8.150 nan 0.000 0.494 181 D N 0.437 120.839 120.400 0.005 0.000 2.233 181 D HA 0.479 5.120 4.640 0.001 0.000 0.240 181 D C -0.735 175.569 176.300 0.007 0.000 1.074 181 D CA 0.051 54.054 54.000 0.006 0.000 0.838 181 D CB 1.555 42.359 40.800 0.007 0.000 1.124 181 D HN 0.134 nan 8.370 nan 0.000 0.475 182 V N 1.745 121.663 119.914 0.007 0.000 2.628 182 V HA 0.349 4.470 4.120 0.001 0.000 0.306 182 V C -0.490 175.611 176.094 0.012 0.000 1.045 182 V CA -0.760 61.545 62.300 0.008 0.000 0.905 182 V CB 2.298 34.123 31.823 0.004 0.000 0.997 182 V HN 0.460 nan 8.190 nan 0.000 0.436 183 D N 2.746 123.155 120.400 0.015 0.000 2.549 183 D HA 0.387 5.028 4.640 0.001 0.000 0.251 183 D C 0.241 176.555 176.300 0.024 0.000 1.153 183 D CA -0.433 53.580 54.000 0.021 0.000 0.861 183 D CB 1.567 42.382 40.800 0.024 0.000 1.207 183 D HN 0.397 nan 8.370 nan 0.000 0.543 184 L N 3.773 125.013 121.223 0.030 0.000 2.713 184 L HA 0.291 4.631 4.340 0.001 0.000 0.245 184 L C 1.775 178.673 176.870 0.047 0.000 1.169 184 L CA 0.074 54.934 54.840 0.033 0.000 0.962 184 L CB -1.218 40.863 42.059 0.037 0.000 1.161 184 L HN 0.752 nan 8.230 nan 0.000 0.427 185 G N 1.290 110.119 108.800 0.048 0.000 2.672 185 G HA2 -0.483 3.478 3.960 0.001 0.000 0.324 185 G HA3 -0.483 3.478 3.960 0.001 0.000 0.324 185 G C 1.107 176.056 174.900 0.081 0.000 1.286 185 G CA 0.742 45.879 45.100 0.062 0.000 1.004 185 G HN 0.416 nan 8.290 nan 0.000 0.548 186 A N -0.339 122.537 122.820 0.093 0.000 2.024 186 A HA 0.307 4.628 4.320 0.001 0.000 0.220 186 A C 2.648 180.315 177.584 0.138 0.000 1.164 186 A CA 2.786 54.885 52.037 0.104 0.000 0.643 186 A CB -0.671 18.393 19.000 0.106 0.000 0.806 186 A HN 2.195 nan 8.150 nan 0.000 0.451 187 A N -0.328 122.568 122.820 0.127 0.000 2.327 187 A HA 0.235 4.556 4.320 0.001 0.000 0.228 187 A C 0.336 178.014 177.584 0.157 0.000 1.275 187 A CA -0.268 51.866 52.037 0.162 0.000 0.875 187 A CB -0.133 18.959 19.000 0.154 0.000 0.925 187 A HN 0.379 nan 8.150 nan 0.000 0.493 188 E N -0.201 120.099 120.200 0.167 0.000 2.324 188 E HA 0.319 4.670 4.350 0.001 0.000 0.271 188 E C 1.094 177.820 176.600 0.210 0.000 1.028 188 E CA 0.939 57.426 56.400 0.144 0.000 0.890 188 E CB 0.703 30.476 29.700 0.121 0.000 1.004 188 E HN 0.660 nan 8.360 nan 0.000 0.431 189 G N 2.982 111.831 108.800 0.082 0.000 2.148 189 G HA2 -0.355 3.606 3.960 0.001 0.000 0.254 189 G HA3 -0.355 3.606 3.960 0.001 0.000 0.254 189 G C 0.381 175.127 174.900 -0.257 0.000 0.981 189 G CA 0.825 45.950 45.100 0.042 0.000 0.670 189 G HN 0.612 nan 8.290 nan 0.000 0.528 190 Y N 0.286 120.303 120.300 -0.472 0.000 2.808 190 Y HA 0.698 5.249 4.550 0.001 0.000 0.244 190 Y C 1.723 177.494 175.900 -0.215 0.000 1.033 190 Y CA 1.347 59.134 58.100 -0.522 0.000 1.415 190 Y CB -0.135 37.992 38.460 -0.555 0.000 1.420 190 Y HN 0.639 nan 8.280 nan 0.000 0.484 191 A N 1.785 124.506 122.820 -0.164 0.000 2.322 191 A HA 0.347 4.667 4.320 0.001 0.000 0.269 191 A C -0.304 177.202 177.584 -0.130 0.000 1.094 191 A CA -0.553 51.370 52.037 -0.190 0.000 0.807 191 A CB 0.039 19.021 19.000 -0.030 0.000 1.047 191 A HN 0.420 nan 8.150 nan 0.000 0.487 192 E N 0.010 120.133 120.200 -0.128 0.000 2.366 192 E HA 0.278 4.628 4.350 0.001 0.000 0.266 192 E C -1.007 175.561 176.600 -0.053 0.000 1.051 192 E CA -0.307 56.043 56.400 -0.083 0.000 0.884 192 E CB 1.383 31.035 29.700 -0.081 0.000 1.006 192 E HN 0.453 nan 8.360 nan 0.000 0.417 193 L N 2.680 123.881 121.223 -0.037 0.000 2.305 193 L HA 0.296 4.636 4.340 0.001 0.000 0.284 193 L C -0.688 176.167 176.870 -0.024 0.000 1.013 193 L CA -0.344 54.481 54.840 -0.026 0.000 0.819 193 L CB 1.352 43.403 42.059 -0.014 0.000 1.227 193 L HN 0.195 nan 8.230 nan 0.000 0.417 194 D N 3.392 123.778 120.400 -0.024 0.000 2.505 194 D HA 0.177 4.817 4.640 0.001 0.000 0.242 194 D C -0.752 175.538 176.300 -0.016 0.000 1.136 194 D CA -0.121 53.866 54.000 -0.021 0.000 0.954 194 D CB 0.149 40.935 40.800 -0.024 0.000 1.002 194 D HN 0.432 nan 8.370 nan 0.000 0.512 195 N N 2.443 121.135 118.700 -0.013 0.000 2.521 195 N HA 0.146 4.887 4.740 0.001 0.000 0.236 195 N C -0.073 175.432 175.510 -0.008 0.000 1.067 195 N CA -0.096 52.949 53.050 -0.009 0.000 0.939 195 N CB 0.281 38.765 38.487 -0.006 0.000 1.201 195 N HN 0.314 nan 8.380 nan 0.000 0.511 196 R N 1.404 121.900 120.500 -0.008 0.000 2.613 196 R HA 0.381 4.722 4.340 0.001 0.000 0.361 196 R C 0.367 176.664 176.300 -0.004 0.000 1.072 196 R CA -0.488 55.608 56.100 -0.006 0.000 1.089 196 R CB 0.686 30.981 30.300 -0.007 0.000 1.343 196 R HN 0.328 nan 8.270 nan 0.000 0.571 197 A N 0.668 123.486 122.820 -0.003 0.000 2.296 197 A HA 0.570 4.891 4.320 0.001 0.000 0.264 197 A C -0.134 177.450 177.584 -0.001 0.000 1.097 197 A CA -0.324 51.712 52.037 -0.001 0.000 0.811 197 A CB 0.986 19.986 19.000 -0.000 0.000 1.072 197 A HN 0.070 nan 8.150 nan 0.000 0.495 198 V N -0.982 118.932 119.914 0.000 0.000 3.167 198 V HA 0.693 4.813 4.120 0.001 0.000 0.310 198 V C -0.425 175.670 176.094 0.002 0.000 1.207 198 V CA -0.376 61.925 62.300 0.001 0.000 1.059 198 V CB 2.624 34.447 31.823 0.000 0.000 1.079 198 V HN 0.989 nan 8.190 nan 0.000 0.446 199 T N 2.207 116.762 114.554 0.002 0.000 2.779 199 T HA 0.688 5.038 4.350 0.001 0.000 0.280 199 T C 0.017 174.718 174.700 0.002 0.000 0.987 199 T CA 0.173 62.274 62.100 0.002 0.000 0.966 199 T CB 1.217 70.086 68.868 0.002 0.000 0.933 199 T HN 1.082 nan 8.240 nan 0.000 0.442 200 G N 1.167 109.968 108.800 0.002 0.000 2.488 200 G HA2 0.634 4.595 3.960 0.001 0.000 0.318 200 G HA3 0.634 4.595 3.960 0.001 0.000 0.318 200 G C -0.039 174.862 174.900 0.002 0.000 1.188 200 G CA -0.897 44.204 45.100 0.002 0.000 0.944 200 G HN 0.989 nan 8.290 nan 0.000 0.495 201 A N -0.221 122.600 122.820 0.002 0.000 2.520 201 A HA 0.532 4.852 4.320 0.001 0.000 0.235 201 A C 1.197 178.782 177.584 0.002 0.000 1.065 201 A CA 0.489 52.527 52.037 0.002 0.000 0.764 201 A CB -0.303 18.698 19.000 0.001 0.000 1.002 201 A HN 2.007 nan 8.150 nan 0.000 0.502 202 A N 1.088 123.910 122.820 0.002 0.000 2.547 202 A HA 0.457 4.778 4.320 0.001 0.000 0.233 202 A C 1.774 179.359 177.584 0.002 0.000 1.067 202 A CA 0.869 52.908 52.037 0.002 0.000 0.763 202 A CB -0.762 18.239 19.000 0.002 0.000 1.007 202 A HN 2.811 nan 8.150 nan 0.000 0.506 203 G N 0.456 109.257 108.800 0.002 0.000 2.175 203 G HA2 -0.209 3.752 3.960 0.001 0.000 0.265 203 G HA3 -0.209 3.752 3.960 0.001 0.000 0.265 203 G C 0.661 175.562 174.900 0.002 0.000 0.979 203 G CA 1.433 46.535 45.100 0.002 0.000 0.663 203 G HN 2.220 nan 8.290 nan 0.000 0.533 204 S N -0.436 115.265 115.700 0.002 0.000 2.686 204 S HA 0.822 5.292 4.470 0.001 0.000 0.270 204 S C 0.505 175.106 174.600 0.002 0.000 1.194 204 S CA 0.360 58.561 58.200 0.002 0.000 0.990 204 S CB 1.915 65.116 63.200 0.002 0.000 1.029 204 S HN 1.851 nan 8.310 nan 0.000 0.560 205 A N 1.455 124.277 122.820 0.002 0.000 2.328 205 A HA 0.432 4.753 4.320 0.001 0.000 0.284 205 A C 0.247 177.833 177.584 0.004 0.000 1.160 205 A CA -0.668 51.371 52.037 0.003 0.000 0.818 205 A CB -0.291 18.710 19.000 0.002 0.000 1.087 205 A HN 0.801 nan 8.150 nan 0.000 0.504 206 N N 2.146 120.848 118.700 0.004 0.000 2.400 206 N HA 0.041 4.782 4.740 0.001 0.000 0.267 206 N C 0.755 176.269 175.510 0.007 0.000 1.208 206 N CA 0.807 53.861 53.050 0.006 0.000 0.951 206 N CB 0.442 38.933 38.487 0.007 0.000 1.227 206 N HN 0.643 nan 8.380 nan 0.000 0.488 207 T N 1.427 115.985 114.554 0.007 0.000 3.243 207 T HA 0.186 4.536 4.350 0.001 0.000 0.264 207 T C 0.493 175.199 174.700 0.009 0.000 1.000 207 T CA -0.606 61.498 62.100 0.007 0.000 0.901 207 T CB -0.363 68.508 68.868 0.005 0.000 1.083 207 T HN 0.217 nan 8.240 nan 0.000 0.559 208 L N 2.206 123.435 121.223 0.011 0.000 2.380 208 L HA 0.577 4.918 4.340 0.001 0.000 0.273 208 L C -0.662 176.218 176.870 0.017 0.000 1.138 208 L CA -0.068 54.779 54.840 0.012 0.000 0.832 208 L CB 1.090 43.156 42.059 0.011 0.000 1.124 208 L HN 0.162 nan 8.230 nan 0.000 0.454 209 V N 6.611 126.534 119.914 0.015 0.000 2.577 209 V HA 0.421 4.542 4.120 0.001 0.000 0.303 209 V C -0.294 175.806 176.094 0.010 0.000 1.042 209 V CA -0.437 61.875 62.300 0.020 0.000 0.872 209 V CB 1.751 33.585 31.823 0.018 0.000 0.998 209 V HN 0.550 nan 8.190 nan 0.000 0.423 210 I N 4.202 124.780 120.570 0.013 0.000 2.371 210 I HA 0.442 4.612 4.170 0.001 0.000 0.282 210 I C -0.532 175.558 176.117 -0.045 0.000 1.031 210 I CA -0.065 61.229 61.300 -0.010 0.000 1.180 210 I CB 1.263 39.261 38.000 -0.004 0.000 1.336 210 I HN 0.528 nan 8.210 nan 0.000 0.467 211 D N 5.034 125.398 120.400 -0.061 0.000 2.340 211 D HA 0.425 5.065 4.640 0.001 0.000 0.243 211 D C -0.582 175.651 176.300 -0.112 0.000 0.988 211 D CA -0.765 53.173 54.000 -0.103 0.000 0.959 211 D CB 1.807 42.568 40.800 -0.064 0.000 1.226 211 D HN 0.350 nan 8.370 nan 0.000 0.509 212 R N 1.955 122.371 120.500 -0.140 0.000 2.407 212 R HA 0.429 4.770 4.340 0.001 0.000 0.298 212 R C -2.498 173.754 176.300 -0.081 0.000 1.166 212 R CA -1.639 54.400 56.100 -0.103 0.000 1.006 212 R CB 1.133 31.368 30.300 -0.108 0.000 1.145 212 R HN 0.221 nan 8.270 nan 0.000 0.538 213 P HA -0.163 nan 4.420 nan 0.000 0.263 213 P C -0.216 177.063 177.300 -0.034 0.000 1.175 213 P CA -0.017 63.058 63.100 -0.042 0.000 0.761 213 P CB 0.633 32.312 31.700 -0.035 0.000 0.794 214 V N 4.007 123.907 119.914 -0.023 0.000 2.694 214 V HA 0.230 4.350 4.120 0.001 0.000 0.306 214 V C 1.505 177.595 176.094 -0.006 0.000 1.054 214 V CA 1.834 64.129 62.300 -0.009 0.000 1.161 214 V CB -0.369 31.457 31.823 0.004 0.000 0.916 214 V HN 0.994 nan 8.190 nan 0.000 0.490 215 G N 3.737 112.537 108.800 0.001 0.000 2.212 215 G HA2 -0.260 3.700 3.960 0.001 0.000 0.266 215 G HA3 -0.260 3.700 3.960 0.001 0.000 0.266 215 G C 0.442 175.336 174.900 -0.010 0.000 0.978 215 G CA 1.001 46.102 45.100 0.002 0.000 0.632 215 G HN 1.753 nan 8.290 nan 0.000 0.537 216 T N -2.436 112.106 114.554 -0.021 0.000 2.948 216 T HA 0.615 4.966 4.350 0.001 0.000 0.285 216 T C 0.414 175.088 174.700 -0.044 0.000 1.019 216 T CA 0.111 62.189 62.100 -0.036 0.000 1.013 216 T CB 1.862 70.705 68.868 -0.041 0.000 1.117 216 T HN 0.164 nan 8.240 nan 0.000 0.533 217 N N 0.220 118.877 118.700 -0.071 0.000 2.380 217 N HA 0.249 4.989 4.740 0.001 0.000 0.255 217 N C -0.767 174.683 175.510 -0.099 0.000 1.158 217 N CA -0.308 52.685 53.050 -0.095 0.000 0.878 217 N CB 0.112 38.491 38.487 -0.180 0.000 1.138 217 N HN 0.644 nan 8.380 nan 0.000 0.509 218 T N 0.958 115.469 114.554 -0.072 0.000 2.795 218 T HA 0.372 4.723 4.350 0.001 0.000 0.282 218 T C -0.110 174.558 174.700 -0.053 0.000 0.980 218 T CA -0.450 61.611 62.100 -0.064 0.000 1.012 218 T CB 1.096 69.931 68.868 -0.055 0.000 0.936 218 T HN -0.025 nan 8.240 nan 0.000 0.457 219 I N 3.304 123.847 120.570 -0.045 0.000 2.307 219 I HA 0.436 4.607 4.170 0.001 0.000 0.289 219 I C 0.468 176.564 176.117 -0.036 0.000 1.021 219 I CA -0.863 60.413 61.300 -0.040 0.000 1.224 219 I CB 0.334 38.316 38.000 -0.029 0.000 1.376 219 I HN 0.657 nan 8.210 nan 0.000 0.470 220 A N 7.218 130.015 122.820 -0.039 0.000 2.276 220 A HA 0.676 4.996 4.320 0.001 0.000 0.316 220 A C -0.416 177.153 177.584 -0.025 0.000 1.229 220 A CA -0.453 51.566 52.037 -0.030 0.000 0.851 220 A CB 0.917 19.899 19.000 -0.031 0.000 1.165 220 A HN 0.419 nan 8.150 nan 0.000 0.513 221 V N 3.777 123.681 119.914 -0.017 0.000 2.350 221 V HA 0.494 4.614 4.120 0.001 0.000 0.285 221 V C 0.426 176.515 176.094 -0.008 0.000 1.014 221 V CA -0.172 62.121 62.300 -0.011 0.000 0.831 221 V CB 1.082 32.901 31.823 -0.007 0.000 1.000 221 V HN 1.071 nan 8.190 nan 0.000 0.433 222 T N 1.316 115.867 114.554 -0.005 0.000 2.938 222 T HA 0.961 5.312 4.350 0.001 0.000 0.285 222 T C 0.336 175.037 174.700 0.001 0.000 1.028 222 T CA -0.106 61.992 62.100 -0.003 0.000 1.005 222 T CB 1.922 70.788 68.868 -0.004 0.000 1.157 222 T HN 1.668 nan 8.240 nan 0.000 0.550 223 G N -0.024 108.777 108.800 0.001 0.000 2.549 223 G HA2 0.239 4.199 3.960 0.001 0.000 0.404 223 G HA3 0.239 4.199 3.960 0.001 0.000 0.404 223 G C -0.518 174.384 174.900 0.003 0.000 1.292 223 G CA -0.261 44.841 45.100 0.003 0.000 0.935 223 G HN 1.120 nan 8.290 nan 0.000 0.512 224 S N -1.334 114.368 115.700 0.004 0.000 2.536 224 S HA 0.803 5.273 4.470 0.001 0.000 0.298 224 S C -1.113 173.490 174.600 0.004 0.000 1.083 224 S CA -0.348 57.854 58.200 0.003 0.000 0.995 224 S CB 1.459 64.660 63.200 0.003 0.000 1.058 224 S HN 1.610 nan 8.310 nan 0.000 0.488 225 L N 5.388 126.613 121.223 0.004 0.000 2.438 225 L HA 0.664 5.005 4.340 0.001 0.000 0.270 225 L C -2.593 174.279 176.870 0.004 0.000 0.972 225 L CA -1.695 53.148 54.840 0.005 0.000 0.831 225 L CB 2.328 44.390 42.059 0.005 0.000 1.273 225 L HN 0.396 nan 8.230 nan 0.000 0.405 226 P HA 0.162 nan 4.420 nan 0.000 0.275 226 P C 0.036 177.339 177.300 0.004 0.000 1.227 226 P CA -0.189 62.913 63.100 0.004 0.000 0.781 226 P CB 1.254 32.956 31.700 0.003 0.000 0.906 227 A N 3.666 126.488 122.820 0.003 0.000 1.940 227 A HA -0.229 4.091 4.320 0.001 0.000 0.219 227 A C 1.554 179.140 177.584 0.004 0.000 1.176 227 A CA 2.266 54.305 52.037 0.003 0.000 0.631 227 A CB -1.415 17.587 19.000 0.003 0.000 0.814 227 A HN 0.632 nan 8.150 nan 0.000 0.446 228 D N 0.072 120.474 120.400 0.004 0.000 2.363 228 D HA 0.287 4.927 4.640 0.001 0.000 0.220 228 D C 0.726 177.029 176.300 0.004 0.000 0.994 228 D CA 0.545 54.547 54.000 0.004 0.000 0.890 228 D CB -0.610 40.192 40.800 0.003 0.000 0.906 228 D HN 0.441 nan 8.370 nan 0.000 0.530 229 A N 0.210 123.032 122.820 0.005 0.000 2.445 229 A HA 0.552 4.872 4.320 0.001 0.000 0.242 229 A C 0.719 178.306 177.584 0.006 0.000 1.075 229 A CA -0.057 51.983 52.037 0.005 0.000 0.777 229 A CB 0.241 19.244 19.000 0.006 0.000 1.013 229 A HN 0.398 nan 8.150 nan 0.000 0.493 230 A N 2.767 125.591 122.820 0.006 0.000 2.259 230 A HA 0.638 4.959 4.320 0.001 0.000 0.278 230 A C -2.192 175.397 177.584 0.008 0.000 1.107 230 A CA -1.417 50.624 52.037 0.007 0.000 0.828 230 A CB -0.809 18.195 19.000 0.007 0.000 1.111 230 A HN 0.676 nan 8.150 nan 0.000 0.498 231 P HA 0.161 nan 4.420 nan 0.000 0.260 231 P C -0.962 176.344 177.300 0.011 0.000 1.172 231 P CA 0.329 63.435 63.100 0.011 0.000 0.760 231 P CB 0.213 31.921 31.700 0.012 0.000 0.773 232 V N 4.234 124.154 119.914 0.011 0.000 2.370 232 V HA 0.458 4.578 4.120 0.001 0.000 0.279 232 V C 0.644 176.745 176.094 0.011 0.000 1.029 232 V CA -0.155 62.151 62.300 0.011 0.000 0.870 232 V CB 1.207 33.036 31.823 0.011 0.000 0.984 232 V HN 0.700 nan 8.190 nan 0.000 0.451 233 T N 1.744 116.305 114.554 0.011 0.000 2.916 233 T HA 0.932 5.283 4.350 0.001 0.000 0.292 233 T C -0.623 174.080 174.700 0.005 0.000 1.055 233 T CA -0.584 61.520 62.100 0.008 0.000 1.009 233 T CB 2.310 71.184 68.868 0.011 0.000 1.118 233 T HN 1.338 nan 8.240 nan 0.000 0.497 234 A N 2.022 124.838 122.820 -0.007 0.000 2.547 234 A HA 0.572 4.893 4.320 0.001 0.000 0.298 234 A C -0.903 176.659 177.584 -0.037 0.000 1.062 234 A CA -0.935 51.100 52.037 -0.003 0.000 0.748 234 A CB 0.859 19.876 19.000 0.028 0.000 1.288 234 A HN 0.966 nan 8.150 nan 0.000 0.396 235 L N 3.426 124.615 121.223 -0.057 0.000 2.418 235 L HA 0.347 4.688 4.340 0.001 0.000 0.274 235 L C 0.467 177.305 176.870 -0.052 0.000 1.135 235 L CA -0.209 54.566 54.840 -0.108 0.000 0.870 235 L CB 0.089 42.073 42.059 -0.126 0.000 1.154 235 L HN 0.628 nan 8.230 nan 0.000 0.462 236 R N 1.278 121.737 120.500 -0.070 0.000 2.902 236 R HA 0.561 4.902 4.340 0.001 0.000 0.258 236 R C -0.176 176.091 176.300 -0.054 0.000 1.071 236 R CA -0.740 55.319 56.100 -0.069 0.000 1.024 236 R CB 1.883 32.139 30.300 -0.072 0.000 1.184 236 R HN 0.645 nan 8.270 nan 0.000 0.492 237 T N -2.173 112.343 114.554 -0.064 0.000 2.934 237 T HA 0.624 4.974 4.350 0.001 0.000 0.283 237 T C 0.486 175.195 174.700 0.015 0.000 1.005 237 T CA -0.694 61.394 62.100 -0.020 0.000 1.041 237 T CB 1.175 70.026 68.868 -0.028 0.000 1.042 237 T HN 0.326 nan 8.240 nan 0.000 0.505 238 V N -0.985 118.969 119.914 0.067 0.000 3.019 238 V HA 0.675 4.796 4.120 0.001 0.000 0.317 238 V C -0.545 175.632 176.094 0.137 0.000 1.094 238 V CA -1.201 61.181 62.300 0.136 0.000 1.000 238 V CB 1.561 33.526 31.823 0.237 0.000 1.060 238 V HN 0.934 nan 8.190 nan 0.000 0.443 239 D N 1.617 122.108 120.400 0.151 0.000 2.277 239 D HA 0.300 4.940 4.640 0.001 0.000 0.249 239 D C -0.201 176.221 176.300 0.204 0.000 1.134 239 D CA 0.527 54.601 54.000 0.123 0.000 0.863 239 D CB 0.379 41.207 40.800 0.047 0.000 1.143 239 D HN 0.754 nan 8.370 nan 0.000 0.458 240 E N 2.946 123.240 120.200 0.157 0.000 3.117 240 E HA -0.135 4.215 4.350 0.001 0.000 0.156 240 E C -1.959 174.729 176.600 0.147 0.000 1.699 240 E CA 0.022 56.516 56.400 0.157 0.000 0.728 240 E CB -0.794 29.011 29.700 0.175 0.000 1.091 240 E HN 0.498 nan 8.360 nan 0.000 0.369 241 P HA -0.172 nan 4.420 nan 0.000 0.220 241 P C 1.219 178.528 177.300 0.016 0.000 1.144 241 P CA 1.979 65.113 63.100 0.057 0.000 0.800 241 P CB 0.285 32.032 31.700 0.078 0.000 0.772 242 A N -0.099 122.742 122.820 0.035 0.000 1.903 242 A HA 0.122 4.443 4.320 0.001 0.000 0.213 242 A C 2.282 179.869 177.584 0.004 0.000 1.185 242 A CA 1.352 53.398 52.037 0.016 0.000 0.628 242 A CB -1.388 17.632 19.000 0.032 0.000 0.830 242 A HN 0.167 nan 8.150 nan 0.000 0.446 243 A N -0.374 122.475 122.820 0.049 0.000 2.019 243 A HA -0.030 4.290 4.320 0.001 0.000 0.219 243 A C 2.093 179.582 177.584 -0.158 0.000 1.164 243 A CA 1.679 53.767 52.037 0.085 0.000 0.644 243 A CB -0.542 18.628 19.000 0.283 0.000 0.805 243 A HN 0.637 nan 8.150 nan 0.000 0.449 244 L N -0.314 120.641 121.223 -0.447 0.000 2.027 244 L HA 0.008 4.349 4.340 0.001 0.000 0.206 244 L C 2.621 179.353 176.870 -0.230 0.000 1.074 244 L CA 2.173 56.584 54.840 -0.716 0.000 0.745 244 L CB -0.723 40.991 42.059 -0.575 0.000 0.898 244 L HN 0.296 nan 8.230 nan 0.000 0.433 245 A N -0.664 122.090 122.820 -0.110 0.000 2.076 245 A HA -0.057 4.264 4.320 0.001 0.000 0.220 245 A C 2.228 179.817 177.584 0.008 0.000 1.160 245 A CA 1.460 53.479 52.037 -0.030 0.000 0.653 245 A CB -1.394 17.590 19.000 -0.028 0.000 0.801 245 A HN 0.571 nan 8.150 nan 0.000 0.455 246 G N -1.561 107.240 108.800 0.002 0.000 2.411 246 G HA2 -0.131 3.830 3.960 0.001 0.000 0.213 246 G HA3 -0.131 3.830 3.960 0.001 0.000 0.213 246 G C 1.440 176.400 174.900 0.100 0.000 1.166 246 G CA 1.070 46.202 45.100 0.054 0.000 0.802 246 G HN 0.737 nan 8.290 nan 0.000 0.533 247 H N 0.309 119.359 119.070 -0.033 0.000 2.389 247 H HA 0.153 4.709 4.556 0.001 0.000 0.299 247 H C 2.313 177.646 175.328 0.007 0.000 1.081 247 H CA 1.104 57.150 56.048 -0.004 0.000 1.345 247 H CB -0.183 29.555 29.762 -0.041 0.000 1.393 247 H HN 0.257 nan 8.280 nan 0.000 0.520 248 L N -1.100 120.073 121.223 -0.085 0.000 2.217 248 L HA -0.070 4.270 4.340 0.001 0.000 0.211 248 L C 1.825 178.675 176.870 -0.032 0.000 1.107 248 L CA 0.647 55.430 54.840 -0.095 0.000 0.783 248 L CB -0.274 41.782 42.059 -0.004 0.000 0.919 248 L HN 0.279 nan 8.230 nan 0.000 0.442 249 F N 0.376 120.261 119.950 -0.109 0.000 2.293 249 F HA -0.124 4.404 4.527 0.001 0.000 0.297 249 F C 2.457 178.205 175.800 -0.087 0.000 1.089 249 F CA 1.225 59.177 58.000 -0.080 0.000 1.377 249 F CB 0.054 39.022 39.000 -0.054 0.000 1.051 249 F HN 0.087 nan 8.300 nan 0.000 0.511 250 E N 0.442 120.629 120.200 -0.021 0.000 2.023 250 E HA -0.275 4.076 4.350 0.001 0.000 0.196 250 E C 1.991 178.482 176.600 -0.182 0.000 1.003 250 E CA 1.916 58.255 56.400 -0.101 0.000 0.809 250 E CB -0.308 29.352 29.700 -0.066 0.000 0.755 250 E HN 0.523 nan 8.360 nan 0.000 0.449 251 E N -0.256 119.821 120.200 -0.205 0.000 2.209 251 E HA -0.207 4.143 4.350 0.001 0.000 0.196 251 E C 1.860 178.352 176.600 -0.181 0.000 0.993 251 E CA 0.859 57.146 56.400 -0.188 0.000 0.819 251 E CB -0.095 29.478 29.700 -0.212 0.000 0.745 251 E HN 0.388 nan 8.360 nan 0.000 0.477 252 A N 0.457 123.134 122.820 -0.237 0.000 2.021 252 A HA -0.015 4.306 4.320 0.001 0.000 0.216 252 A C 2.047 179.440 177.584 -0.319 0.000 1.163 252 A CA 0.449 52.328 52.037 -0.265 0.000 0.676 252 A CB -0.152 18.667 19.000 -0.300 0.000 0.818 252 A HN 0.103 nan 8.150 nan 0.000 0.453 253 L N -1.092 119.895 121.223 -0.393 0.000 2.068 253 L HA -0.112 4.228 4.340 0.001 0.000 0.204 253 L C 2.558 179.322 176.870 -0.177 0.000 1.076 253 L CA 1.566 56.218 54.840 -0.312 0.000 0.753 253 L CB -0.406 41.464 42.059 -0.315 0.000 0.910 253 L HN 0.429 nan 8.230 nan 0.000 0.439 254 E N -0.166 119.945 120.200 -0.148 0.000 2.171 254 E HA -0.260 4.091 4.350 0.001 0.000 0.197 254 E C 2.211 178.757 176.600 -0.090 0.000 0.997 254 E CA 1.510 57.851 56.400 -0.099 0.000 0.810 254 E CB -0.062 29.586 29.700 -0.087 0.000 0.738 254 E HN 0.212 nan 8.360 nan 0.000 0.467 255 S N -0.790 114.845 115.700 -0.108 0.000 2.489 255 S HA 0.057 4.527 4.470 0.001 0.000 0.228 255 S C 0.649 175.200 174.600 -0.082 0.000 0.995 255 S CA 0.362 58.509 58.200 -0.088 0.000 0.934 255 S CB -0.077 63.067 63.200 -0.094 0.000 0.771 255 S HN 0.276 nan 8.310 nan 0.000 0.522 256 N N 0.428 119.068 118.700 -0.099 0.000 2.598 256 N HA 0.235 4.976 4.740 0.001 0.000 0.309 256 N C 0.700 176.169 175.510 -0.068 0.000 1.645 256 N CA 0.501 53.503 53.050 -0.081 0.000 0.936 256 N CB 0.992 39.423 38.487 -0.094 0.000 1.323 256 N HN 0.446 nan 8.380 nan 0.000 0.497 257 G N -0.049 108.716 108.800 -0.058 0.000 2.245 257 G HA2 -0.302 3.659 3.960 0.001 0.000 0.264 257 G HA3 -0.302 3.659 3.960 0.001 0.000 0.264 257 G C 0.225 175.098 174.900 -0.045 0.000 0.985 257 G CA 0.362 45.435 45.100 -0.044 0.000 0.625 257 G HN 0.257 nan 8.290 nan 0.000 0.536 258 V N 2.201 122.079 119.914 -0.060 0.000 2.465 258 V HA 0.598 4.718 4.120 0.001 0.000 0.279 258 V C 0.752 176.813 176.094 -0.055 0.000 1.045 258 V CA 0.217 62.485 62.300 -0.053 0.000 0.938 258 V CB 1.418 33.205 31.823 -0.059 0.000 0.986 258 V HN 0.361 nan 8.190 nan 0.000 0.467 259 T N 3.603 118.134 114.554 -0.037 0.000 2.943 259 T HA 0.660 5.011 4.350 0.001 0.000 0.284 259 T C -0.384 174.298 174.700 -0.029 0.000 1.015 259 T CA -0.574 61.506 62.100 -0.034 0.000 1.042 259 T CB 1.934 70.788 68.868 -0.024 0.000 1.055 259 T HN 0.364 nan 8.240 nan 0.000 0.500 260 V N 3.098 122.994 119.914 -0.031 0.000 2.443 260 V HA 0.302 4.423 4.120 0.001 0.000 0.293 260 V C 0.428 176.506 176.094 -0.027 0.000 1.021 260 V CA -0.817 61.465 62.300 -0.030 0.000 0.848 260 V CB 1.639 33.440 31.823 -0.036 0.000 0.998 260 V HN 0.735 nan 8.190 nan 0.000 0.424 261 K N 2.667 123.053 120.400 -0.023 0.000 2.400 261 K HA 0.262 4.583 4.320 0.001 0.000 0.194 261 K C 0.893 177.481 176.600 -0.021 0.000 1.033 261 K CA 0.508 56.785 56.287 -0.017 0.000 1.021 261 K CB 0.559 33.054 32.500 -0.009 0.000 0.808 261 K HN 0.749 nan 8.250 nan 0.000 0.505 262 G N 0.395 109.172 108.800 -0.039 0.000 3.107 262 G HA2 0.321 4.282 3.960 0.001 0.000 0.232 262 G HA3 0.321 4.282 3.960 0.001 0.000 0.232 262 G C -1.121 173.739 174.900 -0.067 0.000 1.339 262 G CA -0.529 44.541 45.100 -0.050 0.000 1.033 262 G HN -0.071 nan 8.290 nan 0.000 0.567 263 D N -0.525 119.822 120.400 -0.088 0.000 2.253 263 D HA 0.447 5.088 4.640 0.001 0.000 0.249 263 D C -0.208 176.011 176.300 -0.136 0.000 1.049 263 D CA -0.209 53.748 54.000 -0.072 0.000 0.929 263 D CB 2.078 42.859 40.800 -0.032 0.000 1.176 263 D HN 0.063 nan 8.370 nan 0.000 0.437 264 V N 0.911 120.794 119.914 -0.051 0.000 2.394 264 V HA 0.738 4.858 4.120 0.001 0.000 0.282 264 V C 0.833 176.947 176.094 0.034 0.000 1.031 264 V CA -0.037 62.241 62.300 -0.038 0.000 0.881 264 V CB 1.101 32.956 31.823 0.053 0.000 0.982 264 V HN 0.732 nan 8.190 nan 0.000 0.451 265 G N 3.959 112.793 108.800 0.057 0.000 2.731 265 G HA2 0.659 4.620 3.960 0.001 0.000 0.309 265 G HA3 0.659 4.620 3.960 0.001 0.000 0.309 265 G C -1.794 173.267 174.900 0.268 0.000 1.273 265 G CA -0.820 44.399 45.100 0.199 0.000 0.798 265 G HN 0.521 nan 8.290 nan 0.000 0.509 266 L N 0.348 121.706 121.223 0.224 0.000 2.317 266 L HA 0.777 5.118 4.340 0.001 0.000 0.281 266 L C 0.387 177.258 176.870 0.003 0.000 1.024 266 L CA -0.285 54.632 54.840 0.129 0.000 0.810 266 L CB 2.079 44.186 42.059 0.080 0.000 1.240 266 L HN 0.937 nan 8.230 nan 0.000 0.427 267 G N 1.323 110.097 108.800 -0.043 0.000 2.716 267 G HA2 0.473 4.433 3.960 0.001 0.000 0.299 267 G HA3 0.473 4.433 3.960 0.001 0.000 0.299 267 G C -0.941 173.986 174.900 0.045 0.000 1.450 267 G CA -0.413 44.567 45.100 -0.200 0.000 0.968 267 G HN 0.755 nan 8.290 nan 0.000 0.566 268 G N -0.135 108.640 108.800 -0.041 0.000 2.444 268 G HA2 0.522 4.482 3.960 0.001 0.000 0.268 268 G HA3 0.522 4.482 3.960 0.001 0.000 0.268 268 G C 0.420 175.137 174.900 -0.306 0.000 1.203 268 G CA -0.388 44.664 45.100 -0.081 0.000 0.835 268 G HN 1.088 nan 8.290 nan 0.000 0.543 269 V N 3.801 123.421 119.914 -0.490 0.000 2.583 269 V HA -0.017 4.103 4.120 0.001 0.000 0.302 269 V C -1.375 174.287 176.094 -0.719 0.000 1.033 269 V CA -0.464 61.278 62.300 -0.931 0.000 1.194 269 V CB 0.357 31.868 31.823 -0.521 0.000 0.879 269 V HN 0.588 nan 8.190 nan 0.000 0.482 270 P HA 0.145 nan 4.420 nan 0.000 0.269 270 P C 0.557 177.632 177.300 -0.375 0.000 1.209 270 P CA 0.039 62.753 63.100 -0.644 0.000 0.776 270 P CB 0.761 31.961 31.700 -0.834 0.000 0.876 271 A N 2.725 125.434 122.820 -0.185 0.000 1.969 271 A HA -0.176 4.145 4.320 0.001 0.000 0.218 271 A C 1.346 178.940 177.584 0.016 0.000 1.169 271 A CA 1.797 53.792 52.037 -0.069 0.000 0.635 271 A CB -1.198 17.774 19.000 -0.047 0.000 0.810 271 A HN 0.670 nan 8.150 nan 0.000 0.445 272 D N -2.661 117.774 120.400 0.059 0.000 2.352 272 D HA -0.047 4.593 4.640 0.001 0.000 0.232 272 D C -0.210 176.283 176.300 0.321 0.000 1.055 272 D CA -0.071 54.025 54.000 0.160 0.000 0.891 272 D CB -0.349 40.541 40.800 0.150 0.000 0.897 272 D HN 0.464 nan 8.370 nan 0.000 0.529 273 W N 2.049 123.321 121.300 -0.047 0.000 1.912 273 W HA 0.366 5.027 4.660 0.001 0.000 0.399 273 W C 0.873 177.367 176.519 -0.041 0.000 0.800 273 W CA -1.006 56.310 57.345 -0.048 0.000 1.593 273 W CB -0.160 29.250 29.460 -0.085 0.000 1.769 273 W HN 0.053 nan 8.180 nan 0.000 0.281 274 Q N 0.289 120.166 119.800 0.128 0.000 2.096 274 Q HA -0.107 4.234 4.340 0.001 0.000 0.197 274 Q C 0.800 176.821 176.000 0.036 0.000 0.964 274 Q CA 1.031 56.874 55.803 0.066 0.000 0.838 274 Q CB 0.176 28.938 28.738 0.040 0.000 0.906 274 Q HN 0.063 nan 8.270 nan 0.000 0.444 275 D N 0.314 120.714 120.400 -0.000 0.000 2.970 275 D HA 0.282 4.922 4.640 0.001 0.000 0.282 275 D C -1.129 175.137 176.300 -0.057 0.000 1.291 275 D CA -0.263 53.720 54.000 -0.028 0.000 0.967 275 D CB -0.011 40.763 40.800 -0.045 0.000 1.017 275 D HN 0.154 nan 8.370 nan 0.000 0.512 276 A N 1.409 124.223 122.820 -0.010 0.000 2.477 276 A HA 0.212 4.533 4.320 0.001 0.000 0.246 276 A C 0.446 178.018 177.584 -0.021 0.000 1.078 276 A CA -0.176 51.858 52.037 -0.004 0.000 0.770 276 A CB 0.410 19.481 19.000 0.118 0.000 1.011 276 A HN 0.317 nan 8.150 nan 0.000 0.494 277 E N 2.453 122.625 120.200 -0.047 0.000 2.014 277 E HA 0.380 4.730 4.350 0.001 0.000 0.275 277 E C -0.886 175.722 176.600 0.013 0.000 0.997 277 E CA -0.265 56.118 56.400 -0.028 0.000 0.804 277 E CB 0.570 30.237 29.700 -0.055 0.000 1.090 277 E HN 0.310 nan 8.360 nan 0.000 0.401 278 V N 7.751 127.675 119.914 0.015 0.000 2.381 278 V HA 0.005 4.126 4.120 0.001 0.000 0.257 278 V C 1.266 177.377 176.094 0.029 0.000 1.057 278 V CA 0.301 62.617 62.300 0.026 0.000 1.013 278 V CB -0.018 31.810 31.823 0.008 0.000 1.069 278 V HN 0.803 nan 8.190 nan 0.000 0.484 279 L N 3.913 125.166 121.223 0.049 0.000 2.162 279 L HA 0.348 4.689 4.340 0.001 0.000 0.205 279 L C 1.117 178.024 176.870 0.062 0.000 1.086 279 L CA 1.034 55.907 54.840 0.054 0.000 0.778 279 L CB -0.042 42.061 42.059 0.074 0.000 0.928 279 L HN 0.697 nan 8.230 nan 0.000 0.446 280 A N 0.121 122.987 122.820 0.077 0.000 2.427 280 A HA 0.574 4.895 4.320 0.001 0.000 0.298 280 A C -1.662 175.963 177.584 0.068 0.000 1.036 280 A CA -0.587 51.502 52.037 0.087 0.000 0.701 280 A CB 1.238 20.324 19.000 0.144 0.000 1.250 280 A HN 0.216 nan 8.150 nan 0.000 0.412 281 D N -0.076 120.361 120.400 0.061 0.000 2.566 281 D HA 0.733 5.374 4.640 0.001 0.000 0.254 281 D C -0.631 175.731 176.300 0.105 0.000 1.090 281 D CA -0.334 53.697 54.000 0.053 0.000 1.034 281 D CB 1.087 41.890 40.800 0.004 0.000 1.434 281 D HN 0.661 nan 8.370 nan 0.000 0.509 282 H N -1.929 117.125 119.070 -0.026 0.000 3.008 282 H HA 0.729 5.285 4.556 0.001 0.000 0.354 282 H C -1.536 173.767 175.328 -0.042 0.000 1.252 282 H CA -0.471 55.565 56.048 -0.021 0.000 1.117 282 H CB 2.430 32.190 29.762 -0.004 0.000 1.857 282 H HN 0.422 nan 8.280 nan 0.000 0.547 283 T N 1.763 115.918 114.554 -0.665 0.000 3.032 283 T HA 0.334 4.685 4.350 0.001 0.000 0.312 283 T C -0.667 173.823 174.700 -0.351 0.000 1.078 283 T CA -0.561 61.330 62.100 -0.348 0.000 1.028 283 T CB 1.169 69.874 68.868 -0.273 0.000 1.091 283 T HN 0.752 nan 8.240 nan 0.000 0.457 284 S N 2.234 117.906 115.700 -0.046 0.000 2.626 284 S HA 0.750 5.220 4.470 0.001 0.000 0.257 284 S C 0.882 175.459 174.600 -0.038 0.000 1.288 284 S CA -0.497 57.722 58.200 0.033 0.000 0.980 284 S CB 0.415 63.705 63.200 0.149 0.000 0.975 284 S HN 1.004 nan 8.310 nan 0.000 0.577 285 A N 0.436 123.247 122.820 -0.015 0.000 2.325 285 A HA 0.357 4.678 4.320 0.001 0.000 0.260 285 A C 0.538 178.114 177.584 -0.012 0.000 1.133 285 A CA -0.459 51.569 52.037 -0.015 0.000 0.801 285 A CB -0.424 18.581 19.000 0.008 0.000 1.092 285 A HN 0.899 nan 8.150 nan 0.000 0.504 286 E N -1.089 119.107 120.200 -0.006 0.000 2.345 286 E HA 0.176 4.526 4.350 0.001 0.000 0.259 286 E C 0.754 177.383 176.600 0.049 0.000 1.117 286 E CA -0.677 55.718 56.400 -0.009 0.000 0.913 286 E CB 0.548 30.247 29.700 -0.002 0.000 1.057 286 E HN 0.521 nan 8.360 nan 0.000 0.432 287 L N 2.279 123.539 121.223 0.061 0.000 2.079 287 L HA -0.234 4.106 4.340 0.001 0.000 0.210 287 L C 2.279 179.222 176.870 0.122 0.000 1.081 287 L CA 2.318 57.230 54.840 0.120 0.000 0.752 287 L CB -0.868 41.255 42.059 0.107 0.000 0.896 287 L HN 0.675 nan 8.230 nan 0.000 0.433 288 S N -1.366 114.399 115.700 0.109 0.000 2.370 288 S HA -0.220 4.250 4.470 0.001 0.000 0.226 288 S C 1.884 176.560 174.600 0.127 0.000 1.033 288 S CA 1.323 59.600 58.200 0.128 0.000 1.011 288 S CB -0.605 62.669 63.200 0.123 0.000 0.852 288 S HN 0.485 nan 8.310 nan 0.000 0.457 289 E N 1.115 121.380 120.200 0.107 0.000 2.216 289 E HA 0.246 4.596 4.350 0.001 0.000 0.192 289 E C 1.812 178.493 176.600 0.135 0.000 0.988 289 E CA 0.571 57.038 56.400 0.111 0.000 0.834 289 E CB -0.392 29.358 29.700 0.084 0.000 0.772 289 E HN 0.682 nan 8.360 nan 0.000 0.479 290 I N 0.013 120.654 120.570 0.118 0.000 2.617 290 I HA -0.136 4.035 4.170 0.001 0.000 0.256 290 I C 1.589 177.819 176.117 0.189 0.000 1.167 290 I CA 0.391 61.751 61.300 0.099 0.000 1.469 290 I CB 0.002 38.023 38.000 0.035 0.000 1.098 290 I HN 0.060 nan 8.210 nan 0.000 0.436 291 L N 0.379 121.732 121.223 0.216 0.000 2.740 291 L HA -0.146 4.195 4.340 0.001 0.000 0.242 291 L C 1.834 178.837 176.870 0.222 0.000 1.175 291 L CA 0.429 55.444 54.840 0.292 0.000 0.859 291 L CB -0.304 41.888 42.059 0.222 0.000 0.992 291 L HN 0.176 nan 8.230 nan 0.000 0.454 292 V N -0.248 119.800 119.914 0.224 0.000 2.599 292 V HA 0.015 4.135 4.120 0.001 0.000 0.237 292 V C -0.647 175.553 176.094 0.178 0.000 1.081 292 V CA 0.720 63.119 62.300 0.165 0.000 1.107 292 V CB -1.081 30.863 31.823 0.201 0.000 0.808 292 V HN 0.267 nan 8.190 nan 0.000 0.486 293 P HA -0.156 nan 4.420 nan 0.000 0.230 293 P C 1.517 179.192 177.300 0.626 0.000 1.158 293 P CA 1.414 64.866 63.100 0.587 0.000 0.769 293 P CB -0.041 32.191 31.700 0.887 0.000 0.807 294 F N 0.300 120.480 119.950 0.384 0.000 2.104 294 F HA -0.042 4.485 4.527 0.001 0.000 0.288 294 F C 2.208 178.104 175.800 0.159 0.000 1.107 294 F CA 0.862 59.113 58.000 0.418 0.000 1.208 294 F CB -0.283 38.923 39.000 0.345 0.000 1.033 294 F HN -0.332 nan 8.300 nan 0.000 0.478 295 M N 0.746 120.142 119.600 -0.341 0.000 2.200 295 M HA -0.093 4.388 4.480 0.001 0.000 0.265 295 M C 1.906 177.978 176.300 -0.381 0.000 1.066 295 M CA 1.233 56.190 55.300 -0.571 0.000 1.127 295 M CB -1.013 31.312 32.600 -0.458 0.000 1.379 295 M HN 0.115 nan 8.290 nan 0.000 0.420 296 K N -0.123 120.058 120.400 -0.366 0.000 2.097 296 K HA -0.060 4.261 4.320 0.001 0.000 0.205 296 K C 1.630 177.918 176.600 -0.521 0.000 1.050 296 K CA 1.326 57.289 56.287 -0.540 0.000 0.938 296 K CB -0.289 31.703 32.500 -0.847 0.000 0.718 296 K HN 0.289 nan 8.250 nan 0.000 0.442 297 F N 0.288 120.167 119.950 -0.118 0.000 2.678 297 F HA 0.228 4.756 4.527 0.001 0.000 0.305 297 F C 0.749 176.496 175.800 -0.090 0.000 1.090 297 F CA -0.592 57.343 58.000 -0.109 0.000 1.272 297 F CB 0.027 38.967 39.000 -0.100 0.000 1.060 297 F HN -0.221 nan 8.300 nan 0.000 0.576 298 S N 1.129 116.833 115.700 0.008 0.000 3.706 298 S HA -0.298 4.173 4.470 0.001 0.000 0.363 298 S C 0.258 174.902 174.600 0.073 0.000 0.999 298 S CA 0.128 58.307 58.200 -0.035 0.000 1.143 298 S CB -1.955 61.209 63.200 -0.059 0.000 0.902 298 S HN 0.604 nan 8.310 nan 0.000 0.476 299 N N 0.983 119.781 118.700 0.164 0.000 2.440 299 N HA 0.147 4.888 4.740 0.001 0.000 0.265 299 N C 1.132 176.761 175.510 0.198 0.000 1.239 299 N CA -0.073 53.043 53.050 0.111 0.000 0.909 299 N CB 0.398 38.813 38.487 -0.121 0.000 1.066 299 N HN 0.291 nan 8.380 nan 0.000 0.474 300 N N 2.530 121.307 118.700 0.129 0.000 2.207 300 N HA -0.035 4.706 4.740 0.001 0.000 0.182 300 N C 1.740 177.376 175.510 0.209 0.000 1.020 300 N CA 0.967 54.126 53.050 0.181 0.000 0.858 300 N CB -0.533 38.025 38.487 0.118 0.000 0.991 300 N HN 0.701 nan 8.380 nan 0.000 0.427 301 G N 0.466 109.350 108.800 0.138 0.000 2.442 301 G HA2 -0.260 3.700 3.960 0.001 0.000 0.219 301 G HA3 -0.260 3.700 3.960 0.001 0.000 0.219 301 G C 1.224 176.220 174.900 0.160 0.000 1.141 301 G CA 0.919 46.115 45.100 0.160 0.000 0.763 301 G HN 0.499 nan 8.290 nan 0.000 0.554 302 H N 0.473 119.585 119.070 0.070 0.000 2.321 302 H HA 0.028 4.585 4.556 0.001 0.000 0.300 302 H C 3.010 178.154 175.328 -0.306 0.000 1.087 302 H CA 0.628 56.578 56.048 -0.163 0.000 1.319 302 H CB 0.054 29.660 29.762 -0.261 0.000 1.379 302 H HN 0.440 nan 8.280 nan 0.000 0.501 303 A N 1.325 124.133 122.820 -0.019 0.000 1.883 303 A HA -0.200 4.121 4.320 0.001 0.000 0.217 303 A C 2.140 179.781 177.584 0.096 0.000 1.186 303 A CA 1.772 53.840 52.037 0.053 0.000 0.624 303 A CB -0.136 19.095 19.000 0.384 0.000 0.822 303 A HN 0.316 nan 8.150 nan 0.000 0.444 304 E N -0.347 119.961 120.200 0.180 0.000 2.107 304 E HA -0.082 4.268 4.350 0.001 0.000 0.191 304 E C 2.096 178.622 176.600 -0.123 0.000 0.982 304 E CA 1.031 57.546 56.400 0.192 0.000 0.809 304 E CB -0.527 29.432 29.700 0.432 0.000 0.756 304 E HN 0.722 nan 8.360 nan 0.000 0.459 305 M N 0.317 119.862 119.600 -0.091 0.000 2.117 305 M HA -0.119 4.362 4.480 0.001 0.000 0.262 305 M C 2.422 178.616 176.300 -0.176 0.000 1.065 305 M CA 1.250 56.464 55.300 -0.144 0.000 1.114 305 M CB -0.368 32.265 32.600 0.055 0.000 1.361 305 M HN 0.058 nan 8.290 nan 0.000 0.408 306 L N -0.505 120.636 121.223 -0.137 0.000 2.042 306 L HA -0.216 4.124 4.340 0.001 0.000 0.210 306 L C 2.466 179.287 176.870 -0.082 0.000 1.076 306 L CA 1.038 55.825 54.840 -0.089 0.000 0.749 306 L CB -0.647 41.329 42.059 -0.138 0.000 0.893 306 L HN 0.146 nan 8.230 nan 0.000 0.432 307 V N -0.071 119.784 119.914 -0.098 0.000 2.255 307 V HA -0.339 3.782 4.120 0.001 0.000 0.247 307 V C 2.516 178.455 176.094 -0.258 0.000 1.051 307 V CA 1.914 64.156 62.300 -0.096 0.000 1.018 307 V CB -0.436 31.396 31.823 0.016 0.000 0.641 307 V HN 0.394 nan 8.190 nan 0.000 0.445 308 K N -0.272 119.805 120.400 -0.538 0.000 2.032 308 K HA -0.159 4.162 4.320 0.001 0.000 0.209 308 K C 2.455 178.749 176.600 -0.511 0.000 1.048 308 K CA 1.787 57.560 56.287 -0.856 0.000 0.927 308 K CB -0.321 31.079 32.500 -1.833 0.000 0.712 308 K HN 0.376 nan 8.250 nan 0.000 0.441 309 S N 0.986 116.558 115.700 -0.214 0.000 2.359 309 S HA -0.151 4.319 4.470 0.001 0.000 0.224 309 S C 1.896 176.517 174.600 0.035 0.000 1.035 309 S CA 1.316 59.625 58.200 0.181 0.000 1.018 309 S CB -0.284 63.154 63.200 0.397 0.000 0.876 309 S HN 0.203 nan 8.310 nan 0.000 0.448 310 I N 1.541 122.094 120.570 -0.030 0.000 2.185 310 I HA -0.254 3.917 4.170 0.001 0.000 0.246 310 I C 2.620 178.699 176.117 -0.064 0.000 1.088 310 I CA 1.309 62.584 61.300 -0.042 0.000 1.347 310 I CB -0.896 37.084 38.000 -0.034 0.000 1.041 310 I HN 0.385 nan 8.210 nan 0.000 0.415 311 G N -0.321 108.408 108.800 -0.117 0.000 2.514 311 G HA2 -0.289 3.672 3.960 0.001 0.000 0.217 311 G HA3 -0.289 3.672 3.960 0.001 0.000 0.217 311 G C 1.554 176.373 174.900 -0.135 0.000 1.198 311 G CA 0.516 45.533 45.100 -0.138 0.000 0.780 311 G HN 0.297 nan 8.290 nan 0.000 0.565 312 Q N 0.045 119.747 119.800 -0.163 0.000 2.112 312 Q HA -0.151 4.190 4.340 0.001 0.000 0.206 312 Q C 2.474 178.423 176.000 -0.085 0.000 0.987 312 Q CA 1.838 57.512 55.803 -0.215 0.000 0.858 312 Q CB -0.300 28.225 28.738 -0.355 0.000 0.905 312 Q HN 0.636 nan 8.270 nan 0.000 0.420 313 E N 0.094 120.285 120.200 -0.015 0.000 2.031 313 E HA -0.146 4.204 4.350 0.001 0.000 0.193 313 E C 1.936 178.532 176.600 -0.007 0.000 0.994 313 E CA 2.392 58.800 56.400 0.013 0.000 0.800 313 E CB -0.326 29.372 29.700 -0.003 0.000 0.752 313 E HN 0.436 nan 8.360 nan 0.000 0.447 314 T N -2.511 112.028 114.554 -0.025 0.000 2.857 314 T HA 0.113 4.464 4.350 0.001 0.000 0.266 314 T C 1.161 175.844 174.700 -0.028 0.000 1.048 314 T CA 1.016 63.103 62.100 -0.021 0.000 1.139 314 T CB -0.017 68.838 68.868 -0.022 0.000 0.874 314 T HN 0.210 nan 8.240 nan 0.000 0.455 315 A N -0.317 122.474 122.820 -0.048 0.000 2.758 315 A HA 0.682 5.003 4.320 0.001 0.000 0.223 315 A C 1.223 178.760 177.584 -0.078 0.000 0.877 315 A CA 0.150 52.156 52.037 -0.051 0.000 1.152 315 A CB -0.483 18.490 19.000 -0.046 0.000 1.239 315 A HN 1.310 nan 8.150 nan 0.000 0.470 316 G N -0.465 108.276 108.800 -0.098 0.000 2.321 316 G HA2 0.150 4.111 3.960 0.001 0.000 0.287 316 G HA3 0.150 4.111 3.960 0.001 0.000 0.287 316 G C 0.372 175.150 174.900 -0.203 0.000 1.018 316 G CA 0.667 45.679 45.100 -0.146 0.000 0.855 316 G HN 2.127 nan 8.290 nan 0.000 0.507 317 A N -0.623 122.069 122.820 -0.213 0.000 2.375 317 A HA 0.789 5.109 4.320 0.001 0.000 0.295 317 A C 0.391 177.822 177.584 -0.254 0.000 1.066 317 A CA 0.319 52.229 52.037 -0.212 0.000 0.722 317 A CB 1.477 20.392 19.000 -0.141 0.000 1.206 317 A HN 1.650 nan 8.150 nan 0.000 0.435 318 G N 1.752 110.391 108.800 -0.268 0.000 2.915 318 G HA2 0.504 4.465 3.960 0.001 0.000 0.298 318 G HA3 0.504 4.465 3.960 0.001 0.000 0.298 318 G C -0.295 174.375 174.900 -0.383 0.000 0.837 318 G CA 0.108 45.048 45.100 -0.267 0.000 1.752 318 G HN 0.687 nan 8.290 nan 0.000 0.526 319 T N 1.156 115.461 114.554 -0.415 0.000 3.105 319 T HA 0.139 4.490 4.350 0.001 0.000 0.321 319 T C 0.387 174.924 174.700 -0.272 0.000 1.135 319 T CA -0.682 61.222 62.100 -0.325 0.000 1.053 319 T CB 1.138 69.906 68.868 -0.167 0.000 1.133 319 T HN 0.433 nan 8.240 nan 0.000 0.463 320 W N 1.656 122.844 121.300 -0.187 0.000 2.338 320 W HA -0.119 4.542 4.660 0.001 0.000 0.304 320 W C 1.449 177.894 176.519 -0.124 0.000 1.212 320 W CA 1.343 58.591 57.345 -0.162 0.000 1.264 320 W CB -0.466 28.892 29.460 -0.170 0.000 1.142 320 W HN 0.774 nan 8.180 nan 0.000 0.512 321 D N -0.153 120.309 120.400 0.103 0.000 2.106 321 D HA -0.172 4.468 4.640 0.001 0.000 0.191 321 D C 2.250 178.548 176.300 -0.002 0.000 0.997 321 D CA 2.298 56.317 54.000 0.032 0.000 0.834 321 D CB -0.935 39.870 40.800 0.007 0.000 0.956 321 D HN 0.062 nan 8.370 nan 0.000 0.448 322 A N 0.567 123.365 122.820 -0.038 0.000 1.898 322 A HA 0.113 4.433 4.320 0.001 0.000 0.214 322 A C 2.373 179.925 177.584 -0.053 0.000 1.183 322 A CA 1.856 53.859 52.037 -0.056 0.000 0.622 322 A CB -1.000 17.947 19.000 -0.088 0.000 0.824 322 A HN 0.295 nan 8.150 nan 0.000 0.444 323 G N -0.173 108.582 108.800 -0.074 0.000 2.421 323 G HA2 -0.101 3.860 3.960 0.001 0.000 0.216 323 G HA3 -0.101 3.860 3.960 0.001 0.000 0.216 323 G C 1.334 176.230 174.900 -0.007 0.000 1.171 323 G CA 1.096 46.156 45.100 -0.068 0.000 0.775 323 G HN 0.313 nan 8.290 nan 0.000 0.543 324 L N 0.626 121.868 121.223 0.032 0.000 2.131 324 L HA -0.004 4.337 4.340 0.001 0.000 0.210 324 L C 3.032 179.910 176.870 0.014 0.000 1.092 324 L CA 0.756 55.621 54.840 0.042 0.000 0.759 324 L CB -0.728 41.365 42.059 0.057 0.000 0.903 324 L HN 0.111 nan 8.230 nan 0.000 0.435 325 V N -0.765 119.150 119.914 0.003 0.000 2.453 325 V HA -0.105 4.016 4.120 0.001 0.000 0.247 325 V C 2.514 178.606 176.094 -0.002 0.000 1.048 325 V CA 1.514 63.812 62.300 -0.004 0.000 1.049 325 V CB -1.029 30.788 31.823 -0.011 0.000 0.672 325 V HN 0.532 nan 8.190 nan 0.000 0.457 326 G N -0.130 108.667 108.800 -0.006 0.000 2.418 326 G HA2 -0.201 3.760 3.960 0.001 0.000 0.217 326 G HA3 -0.201 3.760 3.960 0.001 0.000 0.217 326 G C 1.682 176.589 174.900 0.012 0.000 1.158 326 G CA 1.232 46.329 45.100 -0.004 0.000 0.771 326 G HN 0.362 nan 8.290 nan 0.000 0.545 327 V N 0.705 120.632 119.914 0.021 0.000 2.287 327 V HA -0.163 3.958 4.120 0.001 0.000 0.248 327 V C 2.744 178.865 176.094 0.045 0.000 1.053 327 V CA 2.134 64.461 62.300 0.044 0.000 1.027 327 V CB -0.256 31.603 31.823 0.060 0.000 0.646 327 V HN 0.412 nan 8.190 nan 0.000 0.447 328 E N -0.111 120.103 120.200 0.024 0.000 2.150 328 E HA -0.196 4.155 4.350 0.001 0.000 0.193 328 E C 2.168 178.782 176.600 0.024 0.000 0.985 328 E CA 0.953 57.363 56.400 0.016 0.000 0.814 328 E CB 0.020 29.717 29.700 -0.005 0.000 0.752 328 E HN 0.645 nan 8.360 nan 0.000 0.466 329 E N 0.734 120.946 120.200 0.020 0.000 2.023 329 E HA -0.184 4.166 4.350 0.001 0.000 0.196 329 E C 2.095 178.715 176.600 0.034 0.000 1.003 329 E CA 1.170 57.583 56.400 0.021 0.000 0.809 329 E CB -0.546 29.162 29.700 0.015 0.000 0.755 329 E HN 0.300 nan 8.360 nan 0.000 0.449 330 A N 1.415 124.260 122.820 0.041 0.000 1.948 330 A HA -0.178 4.143 4.320 0.001 0.000 0.220 330 A C 2.424 180.051 177.584 0.072 0.000 1.177 330 A CA 1.424 53.494 52.037 0.055 0.000 0.636 330 A CB -0.797 18.234 19.000 0.051 0.000 0.815 330 A HN 0.170 nan 8.150 nan 0.000 0.449 331 L N -0.775 120.496 121.223 0.080 0.000 2.156 331 L HA -0.101 4.240 4.340 0.001 0.000 0.208 331 L C 2.741 179.658 176.870 0.078 0.000 1.095 331 L CA 1.259 56.160 54.840 0.102 0.000 0.770 331 L CB -0.273 41.868 42.059 0.136 0.000 0.914 331 L HN 0.290 nan 8.230 nan 0.000 0.439 332 S N -0.052 115.681 115.700 0.056 0.000 2.402 332 S HA -0.078 4.392 4.470 0.001 0.000 0.229 332 S C 1.949 176.571 174.600 0.037 0.000 1.021 332 S CA 1.111 59.335 58.200 0.041 0.000 0.974 332 S CB -0.351 62.866 63.200 0.028 0.000 0.800 332 S HN 0.588 nan 8.310 nan 0.000 0.484 333 G N 0.297 109.121 108.800 0.041 0.000 2.650 333 G HA2 0.008 3.969 3.960 0.001 0.000 0.214 333 G HA3 0.008 3.969 3.960 0.001 0.000 0.214 333 G C 0.977 175.899 174.900 0.037 0.000 1.136 333 G CA 0.200 45.322 45.100 0.036 0.000 0.789 333 G HN 0.424 nan 8.290 nan 0.000 0.536 334 L N -0.053 121.199 121.223 0.049 0.000 2.769 334 L HA 0.451 4.792 4.340 0.001 0.000 0.240 334 L C 1.715 178.602 176.870 0.029 0.000 1.163 334 L CA 0.961 55.826 54.840 0.043 0.000 0.962 334 L CB 0.339 42.447 42.059 0.082 0.000 1.258 334 L HN 0.259 nan 8.230 nan 0.000 0.513 335 G N -1.056 107.762 108.800 0.030 0.000 2.195 335 G HA2 -0.238 3.722 3.960 0.001 0.000 0.246 335 G HA3 -0.238 3.722 3.960 0.001 0.000 0.246 335 G C 0.285 175.208 174.900 0.039 0.000 0.984 335 G CA 0.131 45.247 45.100 0.026 0.000 0.633 335 G HN 0.144 nan 8.290 nan 0.000 0.525 336 V N 1.477 121.426 119.914 0.058 0.000 2.572 336 V HA 0.405 4.525 4.120 0.001 0.000 0.291 336 V C 0.540 176.674 176.094 0.066 0.000 1.039 336 V CA 0.196 62.544 62.300 0.080 0.000 1.055 336 V CB 1.580 33.482 31.823 0.132 0.000 0.969 336 V HN 0.378 nan 8.190 nan 0.000 0.482 337 D N 3.282 123.718 120.400 0.061 0.000 2.365 337 D HA 0.185 4.826 4.640 0.001 0.000 0.237 337 D C 1.170 177.493 176.300 0.039 0.000 1.190 337 D CA -0.032 53.993 54.000 0.042 0.000 0.867 337 D CB 1.115 41.936 40.800 0.034 0.000 1.050 337 D HN 0.707 nan 8.370 nan 0.000 0.491 338 T N 0.995 115.562 114.554 0.021 0.000 3.107 338 T HA 0.223 4.573 4.350 0.001 0.000 0.249 338 T C 1.924 176.610 174.700 -0.023 0.000 1.096 338 T CA 0.159 62.255 62.100 -0.007 0.000 1.012 338 T CB 0.237 69.097 68.868 -0.013 0.000 0.977 338 T HN 0.307 nan 8.240 nan 0.000 0.527 339 A N 2.214 125.029 122.820 -0.009 0.000 1.929 339 A HA -0.028 4.293 4.320 0.001 0.000 0.221 339 A C 2.492 180.063 177.584 -0.022 0.000 1.211 339 A CA 2.011 54.041 52.037 -0.012 0.000 0.657 339 A CB -1.481 17.517 19.000 -0.003 0.000 0.827 339 A HN 0.630 nan 8.150 nan 0.000 0.462 340 G N -1.950 106.837 108.800 -0.023 0.000 2.939 340 G HA2 0.374 4.335 3.960 0.001 0.000 0.210 340 G HA3 0.374 4.335 3.960 0.001 0.000 0.210 340 G C 0.482 175.348 174.900 -0.057 0.000 1.160 340 G CA -0.088 44.995 45.100 -0.029 0.000 0.770 340 G HN 0.432 nan 8.290 nan 0.000 0.543 341 L N 1.544 122.713 121.223 -0.090 0.000 2.397 341 L HA 0.513 4.854 4.340 0.001 0.000 0.271 341 L C -0.823 175.967 176.870 -0.134 0.000 1.148 341 L CA -0.406 54.333 54.840 -0.167 0.000 0.825 341 L CB 1.629 43.526 42.059 -0.269 0.000 1.117 341 L HN -0.146 nan 8.230 nan 0.000 0.456 342 V N 6.204 126.035 119.914 -0.140 0.000 2.482 342 V HA 0.350 4.471 4.120 0.001 0.000 0.295 342 V C -0.374 175.655 176.094 -0.109 0.000 1.026 342 V CA -0.467 61.771 62.300 -0.103 0.000 0.856 342 V CB 1.778 33.557 31.823 -0.073 0.000 1.001 342 V HN 0.534 nan 8.190 nan 0.000 0.424 343 L N 4.189 125.356 121.223 -0.094 0.000 2.280 343 L HA 0.544 4.885 4.340 0.001 0.000 0.287 343 L C 0.786 177.615 176.870 -0.069 0.000 1.023 343 L CA -0.036 54.757 54.840 -0.077 0.000 0.819 343 L CB 1.434 43.457 42.059 -0.060 0.000 1.212 343 L HN 0.619 nan 8.230 nan 0.000 0.420 344 N N 0.492 119.145 118.700 -0.078 0.000 2.382 344 N HA 0.034 4.775 4.740 0.001 0.000 0.200 344 N C -0.576 174.801 175.510 -0.222 0.000 1.122 344 N CA 0.234 53.202 53.050 -0.136 0.000 0.870 344 N CB 0.761 39.169 38.487 -0.133 0.000 1.176 344 N HN 0.775 nan 8.380 nan 0.000 0.474 345 D N -3.003 117.332 120.400 -0.108 0.000 2.752 345 D HA 0.345 4.986 4.640 0.001 0.000 0.313 345 D C 0.734 177.113 176.300 0.132 0.000 1.225 345 D CA -0.548 53.411 54.000 -0.070 0.000 0.976 345 D CB 0.427 41.218 40.800 -0.016 0.000 1.443 345 D HN -0.078 nan 8.370 nan 0.000 0.515 346 G N -1.295 107.662 108.800 0.262 0.000 2.719 346 G HA2 0.046 4.006 3.960 0.001 0.000 0.211 346 G HA3 0.046 4.006 3.960 0.001 0.000 0.211 346 G C 1.067 176.134 174.900 0.279 0.000 1.140 346 G CA 0.744 46.000 45.100 0.259 0.000 0.790 346 G HN 0.548 nan 8.290 nan 0.000 0.529 347 S N -0.904 114.971 115.700 0.291 0.000 2.470 347 S HA 0.363 4.834 4.470 0.001 0.000 0.222 347 S C 1.863 176.557 174.600 0.158 0.000 1.024 347 S CA 1.156 59.508 58.200 0.254 0.000 0.931 347 S CB 0.103 63.453 63.200 0.251 0.000 0.791 347 S HN 1.414 nan 8.310 nan 0.000 0.513 348 G N 1.162 110.048 108.800 0.143 0.000 2.141 348 G HA2 -0.209 3.752 3.960 0.001 0.000 0.242 348 G HA3 -0.209 3.752 3.960 0.001 0.000 0.242 348 G C 0.468 175.367 174.900 -0.001 0.000 0.982 348 G CA 0.335 45.477 45.100 0.069 0.000 0.662 348 G HN 0.450 nan 8.290 nan 0.000 0.527 349 L N 0.553 121.767 121.223 -0.015 0.000 2.083 349 L HA 0.092 4.432 4.340 0.001 0.000 0.209 349 L C 1.989 178.744 176.870 -0.192 0.000 1.083 349 L CA 1.758 56.462 54.840 -0.226 0.000 0.752 349 L CB -0.474 41.231 42.059 -0.591 0.000 0.899 349 L HN 0.491 nan 8.230 nan 0.000 0.433 350 S N -0.319 115.445 115.700 0.106 0.000 2.572 350 S HA 0.046 4.516 4.470 0.001 0.000 0.279 350 S C 1.249 175.817 174.600 -0.054 0.000 1.341 350 S CA -0.438 57.831 58.200 0.116 0.000 1.043 350 S CB 0.747 64.044 63.200 0.162 0.000 0.887 350 S HN 0.269 nan 8.310 nan 0.000 0.516 351 R N 3.141 123.572 120.500 -0.115 0.000 2.297 351 R HA 0.076 4.416 4.340 0.001 0.000 0.197 351 R C 2.034 178.294 176.300 -0.066 0.000 0.943 351 R CA 0.656 56.690 56.100 -0.111 0.000 1.038 351 R CB -0.474 29.740 30.300 -0.143 0.000 0.957 351 R HN 0.756 nan 8.270 nan 0.000 0.484 352 G N 1.324 110.087 108.800 -0.061 0.000 2.679 352 G HA2 -0.123 3.838 3.960 0.001 0.000 0.212 352 G HA3 -0.123 3.838 3.960 0.001 0.000 0.212 352 G C 0.515 175.380 174.900 -0.058 0.000 1.137 352 G CA -0.049 45.015 45.100 -0.060 0.000 0.787 352 G HN 0.200 nan 8.290 nan 0.000 0.534 353 N N 0.228 118.898 118.700 -0.050 0.000 2.530 353 N HA 0.467 5.208 4.740 0.001 0.000 0.277 353 N C -0.718 174.763 175.510 -0.048 0.000 1.168 353 N CA 0.179 53.200 53.050 -0.049 0.000 0.979 353 N CB 1.755 40.224 38.487 -0.030 0.000 1.141 353 N HN 0.017 nan 8.380 nan 0.000 0.459 354 L N 1.082 122.267 121.223 -0.064 0.000 2.445 354 L HA 0.592 4.933 4.340 0.001 0.000 0.262 354 L C -0.178 176.640 176.870 -0.086 0.000 0.974 354 L CA -0.965 53.842 54.840 -0.055 0.000 0.822 354 L CB 2.119 44.150 42.059 -0.047 0.000 1.339 354 L HN 0.277 nan 8.230 nan 0.000 0.409 355 V N -1.349 118.536 119.914 -0.047 0.000 3.165 355 V HA 0.917 5.038 4.120 0.001 0.000 0.309 355 V C -0.507 175.596 176.094 0.015 0.000 1.267 355 V CA -0.501 61.775 62.300 -0.041 0.000 1.067 355 V CB 2.053 33.904 31.823 0.046 0.000 1.082 355 V HN 0.854 nan 8.190 nan 0.000 0.451 356 T N -2.775 111.811 114.554 0.054 0.000 2.901 356 T HA 0.801 5.151 4.350 0.001 0.000 0.293 356 T C 0.893 175.649 174.700 0.093 0.000 1.084 356 T CA -0.064 62.072 62.100 0.061 0.000 1.008 356 T CB 1.630 70.523 68.868 0.042 0.000 1.170 356 T HN 1.743 nan 8.240 nan 0.000 0.509 357 A N 0.907 123.771 122.820 0.073 0.000 1.902 357 A HA -0.047 4.273 4.320 0.001 0.000 0.217 357 A C 1.897 179.524 177.584 0.072 0.000 1.181 357 A CA 1.846 53.926 52.037 0.072 0.000 0.623 357 A CB -1.108 17.934 19.000 0.070 0.000 0.818 357 A HN 0.905 nan 8.150 nan 0.000 0.443 358 D N -0.141 120.298 120.400 0.065 0.000 2.087 358 D HA -0.128 4.513 4.640 0.001 0.000 0.192 358 D C 2.107 178.461 176.300 0.090 0.000 0.993 358 D CA 2.139 56.176 54.000 0.063 0.000 0.828 358 D CB -0.998 39.830 40.800 0.046 0.000 0.968 358 D HN 0.425 nan 8.370 nan 0.000 0.448 359 T N 1.003 115.627 114.554 0.117 0.000 2.685 359 T HA -0.138 4.212 4.350 0.001 0.000 0.268 359 T C 2.265 177.139 174.700 0.289 0.000 1.034 359 T CA 1.225 63.442 62.100 0.194 0.000 1.149 359 T CB -0.513 68.462 68.868 0.178 0.000 0.860 359 T HN -0.013 nan 8.240 nan 0.000 0.449 360 V N 0.837 120.898 119.914 0.246 0.000 2.270 360 V HA -0.120 4.000 4.120 0.001 0.000 0.245 360 V C 2.701 178.785 176.094 -0.016 0.000 1.043 360 V CA 1.204 63.557 62.300 0.089 0.000 1.014 360 V CB -0.774 31.077 31.823 0.045 0.000 0.645 360 V HN 0.300 nan 8.190 nan 0.000 0.447 361 V N 0.620 120.542 119.914 0.013 0.000 2.392 361 V HA -0.286 3.835 4.120 0.001 0.000 0.249 361 V C 2.466 178.584 176.094 0.041 0.000 1.059 361 V CA 2.350 64.656 62.300 0.009 0.000 1.051 361 V CB -0.664 31.180 31.823 0.036 0.000 0.658 361 V HN 0.651 nan 8.190 nan 0.000 0.455 362 D N 0.061 120.499 120.400 0.062 0.000 2.104 362 D HA -0.193 4.448 4.640 0.001 0.000 0.194 362 D C 2.063 178.402 176.300 0.065 0.000 0.994 362 D CA 1.625 55.666 54.000 0.069 0.000 0.830 362 D CB -0.181 40.670 40.800 0.085 0.000 0.959 362 D HN 0.352 nan 8.370 nan 0.000 0.452 363 L N 0.332 121.591 121.223 0.060 0.000 2.083 363 L HA -0.082 4.258 4.340 0.001 0.000 0.209 363 L C 2.348 179.233 176.870 0.025 0.000 1.083 363 L CA 1.313 56.162 54.840 0.014 0.000 0.752 363 L CB -0.439 41.540 42.059 -0.134 0.000 0.899 363 L HN 0.101 nan 8.230 nan 0.000 0.433 364 L N -0.854 120.394 121.223 0.043 0.000 2.093 364 L HA -0.054 4.287 4.340 0.001 0.000 0.208 364 L C 2.440 179.473 176.870 0.272 0.000 1.085 364 L CA 1.080 56.016 54.840 0.160 0.000 0.755 364 L CB -1.153 40.882 42.059 -0.041 0.000 0.904 364 L HN 0.439 nan 8.230 nan 0.000 0.435 365 G N -1.457 107.431 108.800 0.146 0.000 2.534 365 G HA2 -0.145 3.816 3.960 0.001 0.000 0.217 365 G HA3 -0.145 3.816 3.960 0.001 0.000 0.217 365 G C 1.520 176.448 174.900 0.047 0.000 1.128 365 G CA 0.149 45.314 45.100 0.109 0.000 0.784 365 G HN 0.264 nan 8.290 nan 0.000 0.542 366 Q N -0.457 119.360 119.800 0.028 0.000 2.350 366 Q HA 0.296 4.637 4.340 0.001 0.000 0.225 366 Q C 2.563 178.499 176.000 -0.106 0.000 0.878 366 Q CA 0.617 56.402 55.803 -0.030 0.000 0.935 366 Q CB 0.637 29.374 28.738 -0.003 0.000 1.099 366 Q HN 0.419 nan 8.270 nan 0.000 0.527 367 A N 0.533 123.297 122.820 -0.093 0.000 2.016 367 A HA 0.079 4.400 4.320 0.001 0.000 0.217 367 A C 2.146 179.550 177.584 -0.300 0.000 1.162 367 A CA 1.309 53.189 52.037 -0.262 0.000 0.662 367 A CB -0.606 18.102 19.000 -0.486 0.000 0.812 367 A HN 0.364 nan 8.150 nan 0.000 0.450 368 G N 0.121 108.865 108.800 -0.094 0.000 2.432 368 G HA2 0.008 3.969 3.960 0.001 0.000 0.219 368 G HA3 0.008 3.969 3.960 0.001 0.000 0.219 368 G C 0.819 175.601 174.900 -0.196 0.000 1.135 368 G CA 1.181 46.209 45.100 -0.121 0.000 0.767 368 G HN 0.874 nan 8.290 nan 0.000 0.550 369 S N -0.510 115.048 115.700 -0.237 0.000 2.622 369 S HA 0.817 5.288 4.470 0.001 0.000 0.283 369 S C -0.420 173.942 174.600 -0.397 0.000 1.197 369 S CA -0.095 57.953 58.200 -0.254 0.000 1.146 369 S CB 1.680 64.784 63.200 -0.161 0.000 1.007 369 S HN 0.978 nan 8.310 nan 0.000 0.478 370 A N 3.155 125.646 122.820 -0.549 0.000 2.586 370 A HA 0.828 5.149 4.320 0.001 0.000 0.290 370 A C -2.979 174.172 177.584 -0.721 0.000 1.086 370 A CA -1.391 50.142 52.037 -0.841 0.000 0.665 370 A CB 0.166 18.117 19.000 -1.748 0.000 1.279 370 A HN 0.422 nan 8.150 nan 0.000 0.423 371 P HA 0.059 nan 4.420 nan 0.000 0.259 371 P C 0.169 177.407 177.300 -0.103 0.000 1.307 371 P CA 0.918 63.850 63.100 -0.280 0.000 0.768 371 P CB -0.295 31.343 31.700 -0.104 0.000 1.199 372 W N -4.767 116.537 121.300 0.008 0.000 1.262 372 W HA 0.497 5.158 4.660 0.001 0.000 0.190 372 W C 0.937 177.510 176.519 0.090 0.000 0.745 372 W CA 0.188 57.566 57.345 0.055 0.000 0.841 372 W CB -0.979 28.524 29.460 0.071 0.000 0.861 372 W HN -0.165 nan 8.180 nan 0.000 0.455 373 A N 2.073 124.875 122.820 -0.029 0.000 1.942 373 A HA -0.367 3.954 4.320 0.001 0.000 0.227 373 A C 2.174 179.929 177.584 0.286 0.000 1.445 373 A CA 2.993 55.051 52.037 0.034 0.000 0.704 373 A CB -0.916 17.995 19.000 -0.149 0.000 0.841 373 A HN 0.340 nan 8.150 nan 0.000 0.495 374 Q N -1.997 117.928 119.800 0.207 0.000 1.969 374 Q HA -0.107 4.233 4.340 0.001 0.000 0.198 374 Q C 2.423 178.578 176.000 0.258 0.000 0.978 374 Q CA 1.964 57.883 55.803 0.193 0.000 0.830 374 Q CB -1.130 27.675 28.738 0.111 0.000 0.896 374 Q HN 0.703 nan 8.270 nan 0.000 0.431 375 T N 1.216 115.933 114.554 0.271 0.000 2.869 375 T HA -0.156 4.194 4.350 0.001 0.000 0.270 375 T C 1.273 176.155 174.700 0.303 0.000 1.082 375 T CA 1.298 63.547 62.100 0.249 0.000 1.123 375 T CB -0.232 68.774 68.868 0.229 0.000 0.856 375 T HN 0.506 nan 8.240 nan 0.000 0.499 376 W N 1.026 122.459 121.300 0.221 0.000 2.407 376 W HA -0.044 4.616 4.660 0.001 0.000 0.305 376 W C 2.043 178.669 176.519 0.178 0.000 1.196 376 W CA 1.130 58.600 57.345 0.209 0.000 1.311 376 W CB -0.780 28.912 29.460 0.387 0.000 1.135 376 W HN 0.248 nan 8.180 nan 0.000 0.514 377 S N 1.505 117.370 115.700 0.275 0.000 2.399 377 S HA -0.115 4.355 4.470 0.001 0.000 0.231 377 S C 2.139 176.754 174.600 0.024 0.000 1.022 377 S CA 1.573 59.841 58.200 0.113 0.000 0.983 377 S CB -0.719 62.582 63.200 0.169 0.000 0.803 377 S HN 0.380 nan 8.310 nan 0.000 0.480 378 A N 1.749 124.606 122.820 0.062 0.000 1.969 378 A HA -0.057 4.264 4.320 0.001 0.000 0.218 378 A C 2.318 179.896 177.584 -0.009 0.000 1.169 378 A CA 1.670 53.731 52.037 0.040 0.000 0.635 378 A CB -0.740 18.305 19.000 0.075 0.000 0.810 378 A HN 0.603 nan 8.150 nan 0.000 0.445 379 S N -0.487 115.186 115.700 -0.044 0.000 2.453 379 S HA 0.139 4.609 4.470 0.001 0.000 0.231 379 S C 0.695 175.173 174.600 -0.205 0.000 1.005 379 S CA -0.071 58.069 58.200 -0.100 0.000 0.949 379 S CB -0.626 62.522 63.200 -0.087 0.000 0.774 379 S HN 0.374 nan 8.310 nan 0.000 0.510 380 L N 2.840 123.916 121.223 -0.246 0.000 2.410 380 L HA 0.319 4.660 4.340 0.001 0.000 0.273 380 L C -2.352 174.414 176.870 -0.173 0.000 1.144 380 L CA -2.107 52.572 54.840 -0.269 0.000 0.863 380 L CB 0.043 41.934 42.059 -0.280 0.000 1.140 380 L HN 0.041 nan 8.230 nan 0.000 0.463 381 P HA -0.094 nan 4.420 nan 0.000 0.263 381 P C -0.753 176.498 177.300 -0.080 0.000 1.168 381 P CA 0.191 63.206 63.100 -0.141 0.000 0.759 381 P CB 0.384 31.998 31.700 -0.143 0.000 0.782 382 V N 3.062 122.941 119.914 -0.058 0.000 2.370 382 V HA 0.463 4.584 4.120 0.001 0.000 0.283 382 V C 0.634 176.712 176.094 -0.026 0.000 1.023 382 V CA -1.048 61.236 62.300 -0.027 0.000 0.857 382 V CB 0.941 32.756 31.823 -0.015 0.000 0.985 382 V HN 0.663 nan 8.190 nan 0.000 0.443 383 A N 3.821 126.629 122.820 -0.020 0.000 2.540 383 A HA 0.479 4.800 4.320 0.001 0.000 0.239 383 A C 1.577 179.147 177.584 -0.024 0.000 1.061 383 A CA 0.713 52.736 52.037 -0.024 0.000 0.758 383 A CB -0.490 18.493 19.000 -0.028 0.000 0.991 383 A HN 2.271 nan 8.150 nan 0.000 0.502 384 G N 1.258 110.046 108.800 -0.021 0.000 2.175 384 G HA2 -0.207 3.753 3.960 0.001 0.000 0.265 384 G HA3 -0.207 3.753 3.960 0.001 0.000 0.265 384 G C 0.042 174.939 174.900 -0.006 0.000 0.979 384 G CA 0.492 45.583 45.100 -0.015 0.000 0.663 384 G HN 0.838 nan 8.290 nan 0.000 0.533 385 E N 0.675 120.873 120.200 -0.004 0.000 2.223 385 E HA 0.355 4.706 4.350 0.001 0.000 0.282 385 E C 1.269 177.880 176.600 0.020 0.000 1.046 385 E CA 0.418 56.822 56.400 0.008 0.000 0.857 385 E CB 1.375 31.080 29.700 0.008 0.000 1.055 385 E HN 0.149 nan 8.360 nan 0.000 0.409 386 S N 2.847 118.563 115.700 0.026 0.000 2.368 386 S HA -0.197 4.273 4.470 0.001 0.000 0.226 386 S C 0.750 175.384 174.600 0.056 0.000 1.044 386 S CA 1.139 59.361 58.200 0.035 0.000 1.062 386 S CB -0.004 63.216 63.200 0.033 0.000 0.931 386 S HN 0.547 nan 8.310 nan 0.000 0.440 387 D N 1.433 121.875 120.400 0.069 0.000 2.451 387 D HA 0.087 4.728 4.640 0.001 0.000 0.254 387 D C -1.734 174.641 176.300 0.125 0.000 1.204 387 D CA -1.523 52.544 54.000 0.112 0.000 0.896 387 D CB 1.363 42.232 40.800 0.115 0.000 1.136 387 D HN 0.169 nan 8.370 nan 0.000 0.499 388 P HA -0.096 nan 4.420 nan 0.000 0.218 388 P C 1.062 178.397 177.300 0.059 0.000 1.148 388 P CA 0.834 64.031 63.100 0.161 0.000 0.822 388 P CB 0.027 31.861 31.700 0.223 0.000 0.784 389 F N -1.838 118.183 119.950 0.119 0.000 2.802 389 F HA -0.037 4.491 4.527 0.001 0.000 0.300 389 F C 1.915 177.663 175.800 -0.087 0.000 1.168 389 F CA 0.699 58.694 58.000 -0.008 0.000 1.433 389 F CB -0.076 38.983 39.000 0.098 0.000 1.115 389 F HN -0.226 nan 8.300 nan 0.000 0.582 390 V N -1.939 118.023 119.914 0.080 0.000 3.090 390 V HA 0.160 4.280 4.120 0.001 0.000 0.237 390 V C 2.307 178.381 176.094 -0.032 0.000 1.209 390 V CA 1.190 63.505 62.300 0.027 0.000 1.209 390 V CB -0.140 31.717 31.823 0.056 0.000 0.971 390 V HN 0.233 nan 8.190 nan 0.000 0.477 391 G N -0.411 108.375 108.800 -0.024 0.000 2.551 391 G HA2 0.333 4.293 3.960 0.001 0.000 0.216 391 G HA3 0.333 4.293 3.960 0.001 0.000 0.216 391 G C 1.136 175.986 174.900 -0.083 0.000 1.137 391 G CA 1.025 46.101 45.100 -0.039 0.000 0.798 391 G HN 0.840 nan 8.290 nan 0.000 0.536 392 G N 0.158 108.870 108.800 -0.146 0.000 2.614 392 G HA2 -0.341 3.620 3.960 0.001 0.000 0.303 392 G HA3 -0.341 3.620 3.960 0.001 0.000 0.303 392 G C 1.356 176.216 174.900 -0.067 0.000 1.270 392 G CA 2.039 47.009 45.100 -0.218 0.000 0.988 392 G HN 1.194 nan 8.290 nan 0.000 0.551 393 T N -0.591 113.920 114.554 -0.071 0.000 3.160 393 T HA 0.385 4.736 4.350 0.001 0.000 0.257 393 T C 2.127 176.805 174.700 -0.037 0.000 1.147 393 T CA 1.431 63.514 62.100 -0.029 0.000 1.064 393 T CB 0.018 68.863 68.868 -0.038 0.000 0.949 393 T HN 0.490 nan 8.240 nan 0.000 0.526 394 L N -0.217 120.978 121.223 -0.046 0.000 2.554 394 L HA 0.399 4.740 4.340 0.001 0.000 0.225 394 L C 2.969 179.824 176.870 -0.024 0.000 1.104 394 L CA 0.321 55.140 54.840 -0.036 0.000 0.866 394 L CB -0.527 41.508 42.059 -0.039 0.000 1.047 394 L HN 0.319 nan 8.230 nan 0.000 0.468 395 A N 1.419 124.229 122.820 -0.018 0.000 1.906 395 A HA -0.290 4.031 4.320 0.001 0.000 0.222 395 A C 1.605 179.187 177.584 -0.004 0.000 1.282 395 A CA 2.482 54.517 52.037 -0.004 0.000 0.675 395 A CB -0.668 18.341 19.000 0.014 0.000 0.838 395 A HN 0.499 nan 8.150 nan 0.000 0.469 396 N N 0.239 118.936 118.700 -0.005 0.000 2.362 396 N HA 0.126 4.867 4.740 0.001 0.000 0.204 396 N C -0.065 175.437 175.510 -0.013 0.000 1.166 396 N CA 0.294 53.340 53.050 -0.007 0.000 0.831 396 N CB 0.071 38.555 38.487 -0.005 0.000 1.008 396 N HN 0.538 nan 8.380 nan 0.000 0.472 397 R N -0.668 119.822 120.500 -0.017 0.000 2.807 397 R HA 0.443 4.784 4.340 0.001 0.000 0.276 397 R C 0.433 176.718 176.300 -0.026 0.000 0.979 397 R CA -0.760 55.326 56.100 -0.023 0.000 0.928 397 R CB 1.485 31.769 30.300 -0.027 0.000 1.191 397 R HN -0.075 nan 8.270 nan 0.000 0.471 398 M N 0.427 120.009 119.600 -0.030 0.000 2.682 398 M HA -0.265 4.216 4.480 0.001 0.000 0.196 398 M C -0.651 175.631 176.300 -0.029 0.000 0.542 398 M CA 1.061 56.340 55.300 -0.035 0.000 0.593 398 M CB -1.085 31.488 32.600 -0.044 0.000 2.183 398 M HN 0.515 nan 8.290 nan 0.000 0.663 399 R N 0.566 121.053 120.500 -0.022 0.000 2.389 399 R HA 0.386 4.727 4.340 0.001 0.000 0.295 399 R C 1.268 177.559 176.300 -0.015 0.000 1.075 399 R CA 0.726 56.817 56.100 -0.016 0.000 1.005 399 R CB 0.648 30.942 30.300 -0.010 0.000 0.987 399 R HN 0.505 nan 8.270 nan 0.000 0.452 400 G N 2.042 110.835 108.800 -0.013 0.000 2.246 400 G HA2 -0.279 3.681 3.960 0.001 0.000 0.273 400 G HA3 -0.279 3.681 3.960 0.001 0.000 0.273 400 G C 0.065 174.957 174.900 -0.014 0.000 1.055 400 G CA 0.623 45.718 45.100 -0.010 0.000 0.851 400 G HN 0.728 nan 8.290 nan 0.000 0.500 401 T N -4.421 110.121 114.554 -0.020 0.000 2.916 401 T HA 0.829 5.180 4.350 0.001 0.000 0.292 401 T C 1.521 176.205 174.700 -0.027 0.000 1.064 401 T CA 0.233 62.318 62.100 -0.025 0.000 1.011 401 T CB 1.789 70.635 68.868 -0.037 0.000 1.152 401 T HN 1.446 nan 8.240 nan 0.000 0.510 402 A N 0.953 123.762 122.820 -0.019 0.000 1.997 402 A HA 0.054 4.375 4.320 0.001 0.000 0.221 402 A C 2.470 180.002 177.584 -0.086 0.000 1.172 402 A CA 2.274 54.302 52.037 -0.013 0.000 0.645 402 A CB -1.491 17.522 19.000 0.021 0.000 0.813 402 A HN 1.385 nan 8.150 nan 0.000 0.454 403 A N -0.434 122.334 122.820 -0.087 0.000 2.066 403 A HA 0.056 4.376 4.320 0.001 0.000 0.218 403 A C 1.079 178.602 177.584 -0.101 0.000 1.157 403 A CA 0.787 52.755 52.037 -0.113 0.000 0.670 403 A CB -0.433 18.510 19.000 -0.096 0.000 0.804 403 A HN 0.689 nan 8.150 nan 0.000 0.453 404 E N -0.072 120.084 120.200 -0.073 0.000 2.652 404 E HA 0.206 4.557 4.350 0.001 0.000 0.255 404 E C 1.156 177.719 176.600 -0.062 0.000 0.952 404 E CA 0.602 56.971 56.400 -0.052 0.000 0.947 404 E CB -0.242 29.439 29.700 -0.032 0.000 0.912 404 E HN 0.736 nan 8.360 nan 0.000 0.489 405 G N 2.706 111.480 108.800 -0.043 0.000 2.212 405 G HA2 -0.300 3.661 3.960 0.001 0.000 0.267 405 G HA3 -0.300 3.661 3.960 0.001 0.000 0.267 405 G C 0.581 175.450 174.900 -0.051 0.000 1.002 405 G CA 0.509 45.590 45.100 -0.032 0.000 0.729 405 G HN 0.444 nan 8.290 nan 0.000 0.517 406 V N -1.019 118.838 119.914 -0.095 0.000 2.948 406 V HA 0.193 4.313 4.120 0.001 0.000 0.234 406 V C 1.613 177.673 176.094 -0.057 0.000 1.205 406 V CA 0.801 63.010 62.300 -0.151 0.000 1.234 406 V CB 0.499 32.068 31.823 -0.425 0.000 1.020 406 V HN 0.168 nan 8.190 nan 0.000 0.491 407 V N 2.308 122.197 119.914 -0.040 0.000 2.479 407 V HA 0.136 4.257 4.120 0.001 0.000 0.281 407 V C 0.002 176.140 176.094 0.074 0.000 1.031 407 V CA 0.152 62.480 62.300 0.047 0.000 1.038 407 V CB 0.474 32.313 31.823 0.026 0.000 0.981 407 V HN 0.515 nan 8.190 nan 0.000 0.478 408 E N 4.123 124.401 120.200 0.131 0.000 2.073 408 E HA 0.680 5.031 4.350 0.001 0.000 0.269 408 E C -0.222 176.400 176.600 0.036 0.000 0.917 408 E CA -0.145 56.306 56.400 0.085 0.000 0.757 408 E CB 1.533 31.311 29.700 0.129 0.000 1.111 408 E HN 0.827 nan 8.360 nan 0.000 0.410 409 A N 3.243 126.042 122.820 -0.034 0.000 2.587 409 A HA 0.636 4.956 4.320 0.001 0.000 0.293 409 A C -1.261 176.215 177.584 -0.180 0.000 1.087 409 A CA -0.890 51.067 52.037 -0.132 0.000 0.692 409 A CB 1.602 20.639 19.000 0.061 0.000 1.291 409 A HN 0.395 nan 8.150 nan 0.000 0.407 410 K N 0.760 121.010 120.400 -0.251 0.000 2.206 410 K HA 0.596 4.916 4.320 0.001 0.000 0.264 410 K C 0.224 176.729 176.600 -0.158 0.000 0.967 410 K CA 0.163 56.311 56.287 -0.232 0.000 0.844 410 K CB 1.073 33.395 32.500 -0.297 0.000 1.099 410 K HN 0.888 nan 8.250 nan 0.000 0.441 411 T N 0.039 114.518 114.554 -0.124 0.000 2.874 411 T HA 0.708 5.059 4.350 0.001 0.000 0.281 411 T C 0.296 174.946 174.700 -0.084 0.000 0.994 411 T CA -0.750 61.300 62.100 -0.083 0.000 1.015 411 T CB 1.476 70.302 68.868 -0.070 0.000 1.028 411 T HN 0.580 nan 8.240 nan 0.000 0.523 412 G N 0.049 108.814 108.800 -0.058 0.000 2.741 412 G HA2 0.550 4.510 3.960 0.001 0.000 0.293 412 G HA3 0.550 4.510 3.960 0.001 0.000 0.293 412 G C -1.123 173.751 174.900 -0.044 0.000 1.457 412 G CA -0.623 44.445 45.100 -0.052 0.000 1.098 412 G HN 0.828 nan 8.290 nan 0.000 0.536 413 T N 2.194 116.708 114.554 -0.067 0.000 2.921 413 T HA 0.754 5.104 4.350 0.001 0.000 0.297 413 T C -0.442 174.195 174.700 -0.104 0.000 1.013 413 T CA -0.259 61.801 62.100 -0.066 0.000 0.990 413 T CB 1.317 70.141 68.868 -0.073 0.000 1.023 413 T HN 0.552 nan 8.240 nan 0.000 0.447 414 M N 1.544 121.100 119.600 -0.072 0.000 2.562 414 M HA 0.323 4.803 4.480 0.001 0.000 0.281 414 M C -0.266 176.006 176.300 -0.047 0.000 1.195 414 M CA -0.722 54.520 55.300 -0.096 0.000 0.888 414 M CB 2.262 34.795 32.600 -0.112 0.000 1.731 414 M HN 0.539 nan 8.290 nan 0.000 0.493 415 S N 1.350 117.037 115.700 -0.021 0.000 2.973 415 S HA 0.285 4.756 4.470 0.001 0.000 0.357 415 S C 0.952 175.533 174.600 -0.033 0.000 1.159 415 S CA 1.729 59.938 58.200 0.015 0.000 1.423 415 S CB -0.994 62.290 63.200 0.140 0.000 1.115 415 S HN 1.213 nan 8.310 nan 0.000 0.563 416 G N 2.650 111.363 108.800 -0.145 0.000 2.132 416 G HA2 -0.173 3.788 3.960 0.001 0.000 0.228 416 G HA3 -0.173 3.788 3.960 0.001 0.000 0.228 416 G C -0.153 174.650 174.900 -0.162 0.000 1.000 416 G CA -0.092 44.830 45.100 -0.297 0.000 0.693 416 G HN 1.285 nan 8.290 nan 0.000 0.515 417 V N -0.503 119.402 119.914 -0.014 0.000 2.777 417 V HA 0.842 4.963 4.120 0.001 0.000 0.306 417 V C -0.196 175.982 176.094 0.141 0.000 1.112 417 V CA -0.195 62.156 62.300 0.085 0.000 0.917 417 V CB 2.027 33.858 31.823 0.012 0.000 1.018 417 V HN 0.652 nan 8.190 nan 0.000 0.426 418 S N 2.070 117.862 115.700 0.154 0.000 2.536 418 S HA 0.921 5.392 4.470 0.001 0.000 0.271 418 S C -0.880 173.735 174.600 0.026 0.000 1.134 418 S CA 0.172 58.410 58.200 0.063 0.000 0.897 418 S CB 1.785 65.005 63.200 0.032 0.000 1.094 418 S HN 1.454 nan 8.310 nan 0.000 0.473 419 A N 2.703 125.526 122.820 0.006 0.000 2.486 419 A HA 0.860 5.181 4.320 0.001 0.000 0.300 419 A C -1.819 175.764 177.584 -0.002 0.000 1.048 419 A CA -0.555 51.486 52.037 0.006 0.000 0.696 419 A CB 1.588 20.591 19.000 0.006 0.000 1.278 419 A HN 0.889 nan 8.150 nan 0.000 0.405 420 L N 1.545 122.784 121.223 0.026 0.000 2.446 420 L HA 0.719 5.059 4.340 0.001 0.000 0.268 420 L C -0.836 176.056 176.870 0.037 0.000 0.975 420 L CA 0.375 55.248 54.840 0.057 0.000 0.848 420 L CB 1.845 43.986 42.059 0.138 0.000 1.225 420 L HN 0.577 nan 8.230 nan 0.000 0.410 421 S N 2.624 118.197 115.700 -0.211 0.000 2.526 421 S HA 1.027 5.498 4.470 0.001 0.000 0.293 421 S C -0.112 173.958 174.600 -0.883 0.000 1.092 421 S CA -0.078 57.769 58.200 -0.588 0.000 0.980 421 S CB 1.874 64.852 63.200 -0.370 0.000 1.048 421 S HN 1.085 nan 8.310 nan 0.000 0.483 422 G N 1.068 108.958 108.800 -1.516 0.000 2.399 422 G HA2 0.403 4.364 3.960 0.001 0.000 0.256 422 G HA3 0.403 4.364 3.960 0.001 0.000 0.256 422 G C -2.425 171.918 174.900 -0.928 0.000 1.236 422 G CA -0.615 43.821 45.100 -1.108 0.000 0.914 422 G HN 0.459 nan 8.290 nan 0.000 0.482 423 Y N -0.857 119.409 120.300 -0.056 0.000 2.487 423 Y HA 0.634 5.185 4.550 0.001 0.000 0.337 423 Y C 0.267 176.344 175.900 0.295 0.000 1.076 423 Y CA -0.988 57.197 58.100 0.141 0.000 1.115 423 Y CB 2.454 40.972 38.460 0.098 0.000 1.235 423 Y HN 0.293 nan 8.280 nan 0.000 0.468 424 V N 4.050 124.226 119.914 0.437 0.000 2.305 424 V HA 0.310 4.430 4.120 0.001 0.000 0.275 424 V C -2.454 173.776 176.094 0.227 0.000 1.020 424 V CA -2.161 60.304 62.300 0.276 0.000 0.811 424 V CB 0.629 32.576 31.823 0.205 0.000 1.031 424 V HN 0.548 nan 8.190 nan 0.000 0.439 425 P HA 0.253 nan 4.420 nan 0.000 0.268 425 P C 0.169 177.587 177.300 0.196 0.000 1.204 425 P CA 0.581 63.774 63.100 0.154 0.000 0.768 425 P CB 1.307 33.082 31.700 0.125 0.000 0.842 426 G N 3.171 112.058 108.800 0.144 0.000 2.542 426 G HA2 0.491 4.452 3.960 0.001 0.000 0.311 426 G HA3 0.491 4.452 3.960 0.001 0.000 0.311 426 G C -1.767 173.166 174.900 0.055 0.000 1.298 426 G CA -1.231 43.942 45.100 0.122 0.000 0.973 426 G HN 0.237 nan 8.290 nan 0.000 0.487 427 P HA -0.009 nan 4.420 nan 0.000 0.225 427 P C 0.652 177.941 177.300 -0.018 0.000 1.156 427 P CA 0.910 63.989 63.100 -0.035 0.000 0.787 427 P CB 0.494 32.132 31.700 -0.104 0.000 0.802 428 E N -0.709 119.489 120.200 -0.004 0.000 2.693 428 E HA 0.473 4.824 4.350 0.001 0.000 0.214 428 E C 0.129 176.751 176.600 0.037 0.000 0.990 428 E CA -0.491 55.911 56.400 0.002 0.000 1.047 428 E CB 0.450 30.135 29.700 -0.025 0.000 1.039 428 E HN 0.085 nan 8.360 nan 0.000 0.475 429 G N 1.658 110.491 108.800 0.055 0.000 2.760 429 G HA2 -0.109 3.851 3.960 0.001 0.000 0.540 429 G HA3 -0.109 3.851 3.960 0.001 0.000 0.540 429 G C -1.321 173.642 174.900 0.105 0.000 1.476 429 G CA -0.865 44.281 45.100 0.077 0.000 0.949 429 G HN 0.156 nan 8.290 nan 0.000 0.633 430 E N 0.304 120.560 120.200 0.093 0.000 2.366 430 E HA 0.587 4.937 4.350 0.001 0.000 0.266 430 E C -0.571 176.122 176.600 0.155 0.000 1.051 430 E CA -0.538 55.932 56.400 0.117 0.000 0.884 430 E CB 0.710 30.450 29.700 0.066 0.000 1.006 430 E HN 0.356 nan 8.360 nan 0.000 0.417 431 L N 2.667 124.016 121.223 0.210 0.000 2.386 431 L HA 0.543 4.883 4.340 0.001 0.000 0.271 431 L C -0.778 176.284 176.870 0.321 0.000 0.993 431 L CA -0.361 54.616 54.840 0.227 0.000 0.819 431 L CB 1.904 44.078 42.059 0.193 0.000 1.294 431 L HN 0.635 nan 8.230 nan 0.000 0.414 432 A N 3.238 126.221 122.820 0.271 0.000 2.317 432 A HA 0.869 5.190 4.320 0.001 0.000 0.327 432 A C -1.062 176.639 177.584 0.195 0.000 1.178 432 A CA -0.345 51.823 52.037 0.217 0.000 0.817 432 A CB 0.535 19.643 19.000 0.180 0.000 1.189 432 A HN 0.590 nan 8.150 nan 0.000 0.489 433 F N 0.411 120.355 119.950 -0.010 0.000 2.601 433 F HA 0.826 5.353 4.527 0.001 0.000 0.309 433 F C -0.520 175.257 175.800 -0.039 0.000 1.089 433 F CA -0.825 57.167 58.000 -0.014 0.000 0.940 433 F CB 1.664 40.653 39.000 -0.019 0.000 1.273 433 F HN 0.433 nan 8.300 nan 0.000 0.450 434 S N 3.208 118.966 115.700 0.096 0.000 2.614 434 S HA 0.806 5.277 4.470 0.001 0.000 0.288 434 S C -1.357 173.331 174.600 0.147 0.000 1.137 434 S CA -0.528 57.678 58.200 0.009 0.000 0.992 434 S CB 0.871 64.056 63.200 -0.024 0.000 1.026 434 S HN 0.645 nan 8.310 nan 0.000 0.486 435 I N 4.186 124.841 120.570 0.143 0.000 2.447 435 I HA 0.557 4.727 4.170 0.001 0.000 0.287 435 I C -1.033 175.125 176.117 0.068 0.000 1.023 435 I CA -0.861 60.510 61.300 0.119 0.000 1.083 435 I CB 2.095 40.172 38.000 0.129 0.000 1.245 435 I HN 0.279 nan 8.210 nan 0.000 0.434 436 V N 5.480 125.430 119.914 0.060 0.000 2.525 436 V HA 0.441 4.561 4.120 0.001 0.000 0.299 436 V C -0.686 175.439 176.094 0.051 0.000 1.034 436 V CA -0.718 61.611 62.300 0.050 0.000 0.863 436 V CB 1.937 33.791 31.823 0.053 0.000 0.999 436 V HN 0.664 nan 8.190 nan 0.000 0.423 437 N N 4.405 123.136 118.700 0.052 0.000 2.518 437 N HA 0.434 5.174 4.740 0.001 0.000 0.254 437 N C -0.882 174.726 175.510 0.164 0.000 0.979 437 N CA -0.283 52.810 53.050 0.071 0.000 0.930 437 N CB 1.639 40.114 38.487 -0.019 0.000 1.152 437 N HN 0.675 nan 8.380 nan 0.000 0.505 438 N N -0.224 118.558 118.700 0.138 0.000 2.404 438 N HA 0.406 5.147 4.740 0.001 0.000 0.297 438 N C 0.744 176.325 175.510 0.118 0.000 1.163 438 N CA -0.500 52.620 53.050 0.118 0.000 0.864 438 N CB 2.051 40.573 38.487 0.058 0.000 1.247 438 N HN 0.599 nan 8.380 nan 0.000 0.510 439 G N 0.877 109.701 108.800 0.041 0.000 2.148 439 G HA2 -0.238 3.722 3.960 0.001 0.000 0.254 439 G HA3 -0.238 3.722 3.960 0.001 0.000 0.254 439 G C -0.015 174.901 174.900 0.026 0.000 0.981 439 G CA 0.507 45.616 45.100 0.016 0.000 0.670 439 G HN 0.886 nan 8.290 nan 0.000 0.528 440 H N -0.488 118.589 119.070 0.011 0.000 2.488 440 H HA 0.779 5.336 4.556 0.001 0.000 0.347 440 H C 0.843 176.176 175.328 0.008 0.000 1.174 440 H CA 0.133 56.186 56.048 0.008 0.000 1.307 440 H CB 1.515 31.280 29.762 0.005 0.000 1.517 440 H HN 0.033 nan 8.280 nan 0.000 0.554 441 S N 1.744 117.484 115.700 0.067 0.000 2.349 441 S HA 0.189 4.659 4.470 0.001 0.000 0.167 441 S C 1.323 175.970 174.600 0.078 0.000 1.027 441 S CA 0.110 58.318 58.200 0.015 0.000 1.284 441 S CB -0.789 62.428 63.200 0.028 0.000 0.774 441 S HN 0.912 nan 8.310 nan 0.000 0.448 442 G N 2.778 111.638 108.800 0.101 0.000 2.825 442 G HA2 0.239 4.200 3.960 0.001 0.000 0.241 442 G HA3 0.239 4.200 3.960 0.001 0.000 0.241 442 G C -2.668 172.318 174.900 0.143 0.000 1.239 442 G CA -0.671 44.483 45.100 0.090 0.000 0.859 442 G HN 0.228 nan 8.290 nan 0.000 0.598 443 P HA 0.210 nan 4.420 nan 0.000 0.264 443 P C 0.473 177.822 177.300 0.082 0.000 1.179 443 P CA 0.703 63.849 63.100 0.076 0.000 0.763 443 P CB 0.208 31.924 31.700 0.027 0.000 0.806 444 A N 5.898 128.788 122.820 0.118 0.000 2.611 444 A HA -0.044 4.277 4.320 0.001 0.000 0.239 444 A C -1.486 176.007 177.584 -0.153 0.000 0.995 444 A CA -0.210 51.827 52.037 0.001 0.000 0.813 444 A CB -1.190 17.821 19.000 0.017 0.000 0.880 444 A HN 0.450 nan 8.150 nan 0.000 0.481 445 P HA 0.209 nan 4.420 nan 0.000 0.220 445 P C 0.636 177.853 177.300 -0.139 0.000 1.806 445 P CA -0.087 62.878 63.100 -0.225 0.000 0.976 445 P CB -0.077 31.447 31.700 -0.295 0.000 1.952 446 L N 0.598 121.763 121.223 -0.096 0.000 2.056 446 L HA -0.150 4.191 4.340 0.001 0.000 0.207 446 L C 2.620 179.452 176.870 -0.063 0.000 1.078 446 L CA 1.629 56.428 54.840 -0.067 0.000 0.749 446 L CB -1.211 40.818 42.059 -0.050 0.000 0.901 446 L HN 0.111 nan 8.230 nan 0.000 0.433 447 A N 0.336 123.119 122.820 -0.062 0.000 1.873 447 A HA -0.199 4.122 4.320 0.001 0.000 0.218 447 A C 2.364 179.909 177.584 -0.065 0.000 1.193 447 A CA 2.313 54.316 52.037 -0.057 0.000 0.629 447 A CB -1.067 17.903 19.000 -0.050 0.000 0.826 447 A HN 0.199 nan 8.150 nan 0.000 0.447 448 V N -0.166 119.705 119.914 -0.072 0.000 2.332 448 V HA -0.372 3.749 4.120 0.001 0.000 0.248 448 V C 2.619 178.666 176.094 -0.079 0.000 1.055 448 V CA 2.430 64.685 62.300 -0.075 0.000 1.038 448 V CB -1.177 30.600 31.823 -0.077 0.000 0.651 448 V HN 0.663 nan 8.190 nan 0.000 0.450 449 Q N -0.138 119.620 119.800 -0.071 0.000 1.942 449 Q HA -0.221 4.120 4.340 0.001 0.000 0.203 449 Q C 2.197 178.146 176.000 -0.085 0.000 0.987 449 Q CA 1.906 57.674 55.803 -0.060 0.000 0.844 449 Q CB -0.408 28.311 28.738 -0.030 0.000 0.911 449 Q HN 0.561 nan 8.270 nan 0.000 0.423 450 D N 0.574 120.931 120.400 -0.072 0.000 2.192 450 D HA -0.267 4.373 4.640 0.001 0.000 0.189 450 D C 1.747 177.987 176.300 -0.100 0.000 1.007 450 D CA 1.811 55.763 54.000 -0.080 0.000 0.859 450 D CB -0.469 40.295 40.800 -0.060 0.000 0.936 450 D HN 0.355 nan 8.370 nan 0.000 0.447 451 A N 0.305 123.070 122.820 -0.092 0.000 1.883 451 A HA -0.170 4.151 4.320 0.001 0.000 0.217 451 A C 2.468 179.978 177.584 -0.123 0.000 1.186 451 A CA 1.296 53.277 52.037 -0.093 0.000 0.624 451 A CB -0.805 18.148 19.000 -0.079 0.000 0.822 451 A HN 0.258 nan 8.150 nan 0.000 0.444 452 I N -0.367 120.113 120.570 -0.150 0.000 2.226 452 I HA -0.270 3.900 4.170 0.001 0.000 0.245 452 I C 2.956 178.910 176.117 -0.271 0.000 1.100 452 I CA 0.929 62.108 61.300 -0.201 0.000 1.374 452 I CB -0.282 37.595 38.000 -0.205 0.000 1.057 452 I HN 0.375 nan 8.210 nan 0.000 0.413 453 A N 0.316 122.948 122.820 -0.314 0.000 1.940 453 A HA -0.177 4.143 4.320 0.001 0.000 0.219 453 A C 2.421 179.856 177.584 -0.248 0.000 1.176 453 A CA 1.817 53.609 52.037 -0.408 0.000 0.631 453 A CB -0.944 17.853 19.000 -0.338 0.000 0.814 453 A HN 0.257 nan 8.150 nan 0.000 0.446 454 V N 0.044 119.861 119.914 -0.163 0.000 2.261 454 V HA -0.261 3.860 4.120 0.001 0.000 0.246 454 V C 2.680 178.728 176.094 -0.077 0.000 1.047 454 V CA 2.139 64.378 62.300 -0.102 0.000 1.015 454 V CB -0.760 31.017 31.823 -0.075 0.000 0.642 454 V HN 0.502 nan 8.190 nan 0.000 0.446 455 R N -0.417 120.030 120.500 -0.088 0.000 2.127 455 R HA -0.127 4.213 4.340 0.001 0.000 0.238 455 R C 2.200 178.482 176.300 -0.030 0.000 1.134 455 R CA 1.360 57.428 56.100 -0.054 0.000 0.975 455 R CB -0.583 29.667 30.300 -0.084 0.000 0.865 455 R HN 0.476 nan 8.270 nan 0.000 0.447 456 L N -0.363 120.799 121.223 -0.102 0.000 2.093 456 L HA -0.104 4.237 4.340 0.001 0.000 0.208 456 L C 2.558 179.451 176.870 0.038 0.000 1.085 456 L CA 1.157 55.950 54.840 -0.078 0.000 0.755 456 L CB -0.579 41.345 42.059 -0.225 0.000 0.904 456 L HN 0.164 nan 8.230 nan 0.000 0.435 457 A N -0.189 122.640 122.820 0.014 0.000 2.014 457 A HA -0.163 4.157 4.320 0.001 0.000 0.218 457 A C 2.072 179.754 177.584 0.163 0.000 1.163 457 A CA 1.142 53.237 52.037 0.097 0.000 0.652 457 A CB -0.289 18.706 19.000 -0.009 0.000 0.808 457 A HN 0.425 nan 8.150 nan 0.000 0.449 458 E N -2.083 118.181 120.200 0.107 0.000 2.358 458 E HA -0.114 4.236 4.350 0.001 0.000 0.195 458 E C 1.467 178.137 176.600 0.117 0.000 1.010 458 E CA 0.654 57.111 56.400 0.095 0.000 0.856 458 E CB -0.135 29.599 29.700 0.056 0.000 0.795 458 E HN 0.806 nan 8.360 nan 0.000 0.504 459 Y N 0.718 121.028 120.300 0.017 0.000 2.269 459 Y HA 0.082 4.633 4.550 0.001 0.000 0.294 459 Y C 1.545 177.463 175.900 0.029 0.000 1.120 459 Y CA 0.893 59.004 58.100 0.018 0.000 1.159 459 Y CB 0.266 38.736 38.460 0.017 0.000 1.024 459 Y HN -0.116 nan 8.280 nan 0.000 0.532 460 A N 0.286 123.237 122.820 0.218 0.000 3.033 460 A HA 0.376 4.696 4.320 0.001 0.000 0.250 460 A C 1.426 179.028 177.584 0.030 0.000 1.633 460 A CA 0.343 52.465 52.037 0.142 0.000 1.290 460 A CB -1.878 17.259 19.000 0.228 0.000 1.048 460 A HN 0.686 nan 8.150 nan 0.000 0.648 461 G N 0.752 109.531 108.800 -0.036 0.000 2.467 461 G HA2 -0.255 3.706 3.960 0.001 0.000 0.302 461 G HA3 -0.255 3.706 3.960 0.001 0.000 0.302 461 G C 0.176 174.985 174.900 -0.151 0.000 0.930 461 G CA 0.675 45.719 45.100 -0.094 0.000 1.008 461 G HN 0.783 nan 8.290 nan 0.000 0.512 462 H N -0.492 118.582 119.070 0.006 0.000 2.479 462 H HA 0.503 5.059 4.556 0.001 0.000 0.335 462 H C 0.497 175.825 175.328 0.000 0.000 1.142 462 H CA -0.138 55.914 56.048 0.006 0.000 1.234 462 H CB 1.669 31.439 29.762 0.013 0.000 1.503 462 H HN 0.454 nan 8.280 nan 0.000 0.510 463 Q N 0.237 120.125 119.800 0.146 0.000 2.359 463 Q HA 0.598 4.939 4.340 0.001 0.000 0.275 463 Q C -0.591 175.452 176.000 0.072 0.000 1.082 463 Q CA -1.041 54.809 55.803 0.077 0.000 0.849 463 Q CB 1.677 30.441 28.738 0.043 0.000 1.377 463 Q HN 0.704 nan 8.270 nan 0.000 0.452 464 A N 2.091 124.933 122.820 0.038 0.000 2.404 464 A HA 0.510 4.831 4.320 0.001 0.000 0.273 464 A C -1.702 175.896 177.584 0.023 0.000 1.144 464 A CA -0.983 51.067 52.037 0.022 0.000 0.806 464 A CB -0.822 18.183 19.000 0.009 0.000 1.080 464 A HN 0.574 nan 8.150 nan 0.000 0.509 465 P HA 0.000 nan 4.420 nan 0.000 0.216 465 P CA 0.000 63.114 63.100 0.023 0.000 0.800 465 P CB 0.000 31.712 31.700 0.019 0.000 0.726