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 2xdm_1_D 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 GHQAPE 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 0.000 176.449 176.300 0.248 0.000 0.893 1 R CA 0.000 56.200 56.100 0.167 0.000 0.921 1 R CB 0.000 30.404 30.300 0.173 0.000 0.687 2 L N 1.541 122.911 121.223 0.245 0.000 2.043 2 L HA -0.179 4.160 4.340 -0.000 0.000 0.212 2 L C 2.291 179.206 176.870 0.075 0.000 1.075 2 L CA 2.517 57.458 54.840 0.169 0.000 0.752 2 L CB -0.138 42.004 42.059 0.139 0.000 0.891 2 L HN 0.395 nan 8.230 nan 0.000 0.432 3 T N -4.337 110.260 114.554 0.073 0.000 2.978 3 T HA -0.177 4.173 4.350 -0.000 0.000 0.262 3 T C 1.666 176.395 174.700 0.049 0.000 1.063 3 T CA 0.961 63.092 62.100 0.053 0.000 1.140 3 T CB -0.096 68.798 68.868 0.043 0.000 0.886 3 T HN 0.398 nan 8.240 nan 0.000 0.470 4 E N 0.234 120.468 120.200 0.056 0.000 2.106 4 E HA -0.063 4.287 4.350 -0.000 0.000 0.192 4 E C 2.114 178.731 176.600 0.029 0.000 0.984 4 E CA 0.863 57.290 56.400 0.045 0.000 0.806 4 E CB -0.187 29.544 29.700 0.053 0.000 0.750 4 E HN 0.440 nan 8.360 nan 0.000 0.458 5 L N 1.450 122.689 121.223 0.027 0.000 2.012 5 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 5 L C 2.288 179.118 176.870 -0.067 0.000 1.073 5 L CA 1.778 56.587 54.840 -0.052 0.000 0.748 5 L CB -0.268 41.675 42.059 -0.193 0.000 0.891 5 L HN 0.000 nan 8.230 nan 0.000 0.431 6 R N -0.459 120.050 120.500 0.014 0.000 2.081 6 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 6 R C 2.161 178.521 176.300 0.100 0.000 1.131 6 R CA 1.866 58.048 56.100 0.136 0.000 0.960 6 R CB -0.421 29.982 30.300 0.171 0.000 0.856 6 R HN 0.554 nan 8.270 nan 0.000 0.436 7 E N 0.443 120.674 120.200 0.051 0.000 2.051 7 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 7 E C 1.627 178.226 176.600 -0.002 0.000 0.991 7 E CA 1.238 57.658 56.400 0.033 0.000 0.799 7 E CB -0.060 29.654 29.700 0.024 0.000 0.748 7 E HN 0.298 nan 8.360 nan 0.000 0.449 8 D N 0.634 121.018 120.400 -0.028 0.000 2.123 8 D HA -0.152 4.488 4.640 -0.000 0.000 0.196 8 D C 1.995 178.232 176.300 -0.104 0.000 0.992 8 D CA 1.011 54.978 54.000 -0.056 0.000 0.833 8 D CB -0.111 40.655 40.800 -0.056 0.000 0.954 8 D HN 0.224 nan 8.370 nan 0.000 0.455 9 I N 0.826 121.290 120.570 -0.177 0.000 2.406 9 I HA -0.184 3.986 4.170 -0.000 0.000 0.249 9 I C 1.834 177.839 176.117 -0.187 0.000 1.122 9 I CA 0.631 61.742 61.300 -0.315 0.000 1.431 9 I CB -0.070 37.488 38.000 -0.737 0.000 1.087 9 I HN -0.195 nan 8.210 nan 0.000 0.424 10 D N 1.404 121.784 120.400 -0.033 0.000 2.116 10 D HA -0.211 4.429 4.640 -0.000 0.000 0.193 10 D C 2.233 178.542 176.300 0.016 0.000 0.998 10 D CA 1.794 55.836 54.000 0.070 0.000 0.836 10 D CB -0.135 40.723 40.800 0.095 0.000 0.951 10 D HN 0.359 nan 8.370 nan 0.000 0.449 11 A N 0.130 122.943 122.820 -0.011 0.000 1.897 11 A HA -0.076 4.244 4.320 -0.000 0.000 0.215 11 A C 2.381 179.947 177.584 -0.030 0.000 1.181 11 A CA 0.717 52.745 52.037 -0.016 0.000 0.620 11 A CB -0.634 18.355 19.000 -0.018 0.000 0.821 11 A HN 0.192 nan 8.150 nan 0.000 0.443 12 I N -0.126 120.411 120.570 -0.055 0.000 2.163 12 I HA -0.278 3.892 4.170 -0.000 0.000 0.243 12 I C 2.007 178.095 176.117 -0.049 0.000 1.085 12 I CA 1.299 62.560 61.300 -0.064 0.000 1.347 12 I CB -0.293 37.646 38.000 -0.101 0.000 1.044 12 I HN 0.251 nan 8.210 nan 0.000 0.408 13 L N 0.287 121.485 121.223 -0.042 0.000 2.633 13 L HA -0.103 4.237 4.340 -0.000 0.000 0.235 13 L C 1.809 178.679 176.870 0.001 0.000 1.163 13 L CA 0.431 55.261 54.840 -0.015 0.000 0.859 13 L CB -0.428 41.639 42.059 0.013 0.000 0.973 13 L HN 0.218 nan 8.230 nan 0.000 0.451 14 E N -0.257 119.942 120.200 -0.003 0.000 2.489 14 E HA -0.022 4.328 4.350 -0.000 0.000 0.193 14 E C 0.240 176.838 176.600 -0.002 0.000 1.057 14 E CA 0.079 56.480 56.400 0.003 0.000 0.866 14 E CB -0.154 29.548 29.700 0.004 0.000 0.916 14 E HN 0.357 nan 8.360 nan 0.000 0.500 15 D N 1.151 121.545 120.400 -0.010 0.000 2.458 15 D HA -0.036 4.604 4.640 -0.000 0.000 0.243 15 D C -1.606 174.690 176.300 -0.006 0.000 1.146 15 D CA -1.520 52.472 54.000 -0.014 0.000 0.877 15 D CB 1.499 42.284 40.800 -0.026 0.000 1.176 15 D HN -0.112 nan 8.370 nan 0.000 0.461 16 P HA -0.162 nan 4.420 nan 0.000 0.218 16 P C 0.824 178.127 177.300 0.004 0.000 1.146 16 P CA 1.175 64.276 63.100 0.001 0.000 0.820 16 P CB 0.164 31.863 31.700 -0.000 0.000 0.778 17 A N -1.073 121.743 122.820 -0.007 0.000 2.067 17 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 17 A C 1.802 179.386 177.584 0.002 0.000 1.158 17 A CA 1.044 53.075 52.037 -0.010 0.000 0.661 17 A CB -1.214 17.764 19.000 -0.038 0.000 0.801 17 A HN 0.192 nan 8.150 nan 0.000 0.452 18 L N 0.025 121.250 121.223 0.003 0.000 2.728 18 L HA 0.152 4.492 4.340 -0.000 0.000 0.235 18 L C 0.484 177.379 176.870 0.042 0.000 1.197 18 L CA -0.265 54.590 54.840 0.023 0.000 0.992 18 L CB 0.011 42.074 42.059 0.007 0.000 1.263 18 L HN 0.367 nan 8.230 nan 0.000 0.484 19 E N 0.792 121.016 120.200 0.040 0.000 2.324 19 E HA 0.159 4.509 4.350 -0.000 0.000 0.271 19 E C 0.985 177.611 176.600 0.043 0.000 1.028 19 E CA 0.674 57.095 56.400 0.035 0.000 0.890 19 E CB 0.648 30.364 29.700 0.026 0.000 1.004 19 E HN 0.397 nan 8.360 nan 0.000 0.431 20 G N 2.719 111.540 108.800 0.035 0.000 2.148 20 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.254 20 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.254 20 G C 0.065 174.989 174.900 0.040 0.000 0.981 20 G CA 0.182 45.301 45.100 0.032 0.000 0.670 20 G HN 0.730 nan 8.290 nan 0.000 0.528 21 A N -0.668 122.186 122.820 0.056 0.000 2.325 21 A HA 0.849 5.169 4.320 -0.000 0.000 0.333 21 A C 0.051 177.671 177.584 0.059 0.000 1.155 21 A CA -0.244 51.838 52.037 0.075 0.000 0.814 21 A CB 1.905 20.979 19.000 0.123 0.000 1.206 21 A HN 1.128 nan 8.150 nan 0.000 0.482 22 V N 1.845 121.794 119.914 0.059 0.000 2.394 22 V HA 0.496 4.616 4.120 -0.000 0.000 0.282 22 V C -0.061 176.070 176.094 0.062 0.000 1.031 22 V CA -0.291 62.039 62.300 0.051 0.000 0.881 22 V CB 1.266 33.112 31.823 0.038 0.000 0.982 22 V HN 0.817 nan 8.190 nan 0.000 0.451 23 S N 3.214 118.949 115.700 0.059 0.000 2.733 23 S HA 0.537 5.007 4.470 -0.000 0.000 0.307 23 S C 0.374 175.017 174.600 0.071 0.000 1.127 23 S CA -0.569 57.670 58.200 0.065 0.000 1.097 23 S CB 1.529 64.764 63.200 0.059 0.000 1.003 23 S HN 1.026 nan 8.310 nan 0.000 0.477 24 G N 1.901 110.743 108.800 0.070 0.000 2.360 24 G HA2 0.490 4.450 3.960 -0.000 0.000 0.279 24 G HA3 0.490 4.450 3.960 -0.000 0.000 0.279 24 G C -0.602 174.357 174.900 0.098 0.000 1.189 24 G CA -0.288 44.858 45.100 0.076 0.000 0.941 24 G HN 0.597 nan 8.290 nan 0.000 0.445 25 V N 3.392 123.386 119.914 0.134 0.000 2.482 25 V HA 0.445 4.565 4.120 -0.000 0.000 0.295 25 V C -0.435 175.799 176.094 0.233 0.000 1.026 25 V CA -0.680 61.730 62.300 0.183 0.000 0.856 25 V CB 1.744 33.686 31.823 0.198 0.000 1.001 25 V HN 0.525 nan 8.190 nan 0.000 0.424 26 V N 5.478 125.506 119.914 0.190 0.000 2.577 26 V HA 0.583 4.703 4.120 -0.000 0.000 0.303 26 V C -0.483 175.716 176.094 0.175 0.000 1.042 26 V CA -0.582 61.817 62.300 0.165 0.000 0.872 26 V CB 2.234 34.114 31.823 0.095 0.000 0.998 26 V HN 0.598 nan 8.190 nan 0.000 0.423 27 V N 5.262 125.281 119.914 0.174 0.000 2.555 27 V HA 0.723 4.843 4.120 -0.000 0.000 0.302 27 V C -0.421 175.733 176.094 0.101 0.000 1.038 27 V CA -0.607 61.779 62.300 0.143 0.000 0.887 27 V CB 2.052 33.929 31.823 0.090 0.000 0.991 27 V HN 0.595 nan 8.190 nan 0.000 0.434 28 V N 2.281 122.253 119.914 0.098 0.000 2.841 28 V HA 0.451 4.571 4.120 -0.000 0.000 0.310 28 V C -1.028 175.126 176.094 0.099 0.000 1.090 28 V CA -0.656 61.693 62.300 0.081 0.000 0.930 28 V CB 2.432 34.294 31.823 0.064 0.000 1.014 28 V HN 0.925 nan 8.190 nan 0.000 0.425 29 D N 1.950 122.406 120.400 0.093 0.000 2.347 29 D HA 0.266 4.905 4.640 -0.000 0.000 0.235 29 D C 1.109 177.464 176.300 0.092 0.000 1.149 29 D CA 0.124 54.189 54.000 0.108 0.000 0.850 29 D CB 1.833 42.697 40.800 0.107 0.000 1.061 29 D HN 0.569 nan 8.370 nan 0.000 0.487 30 T N 2.445 117.063 114.554 0.107 0.000 2.833 30 T HA -0.091 4.259 4.350 -0.000 0.000 0.269 30 T C 1.695 176.431 174.700 0.061 0.000 1.054 30 T CA 1.396 63.551 62.100 0.092 0.000 1.135 30 T CB 0.068 69.012 68.868 0.127 0.000 0.869 30 T HN 0.541 nan 8.240 nan 0.000 0.466 31 A N 1.317 124.174 122.820 0.061 0.000 2.014 31 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 31 A C 2.459 180.063 177.584 0.035 0.000 1.163 31 A CA 1.770 53.832 52.037 0.042 0.000 0.652 31 A CB -0.531 18.495 19.000 0.043 0.000 0.808 31 A HN 0.605 nan 8.150 nan 0.000 0.449 32 T N -5.939 108.641 114.554 0.043 0.000 2.969 32 T HA 0.422 4.772 4.350 -0.000 0.000 0.250 32 T C 1.422 176.142 174.700 0.032 0.000 1.021 32 T CA 1.102 63.223 62.100 0.035 0.000 1.003 32 T CB 0.248 69.141 68.868 0.041 0.000 1.040 32 T HN 1.620 nan 8.240 nan 0.000 0.492 33 G N 1.562 110.385 108.800 0.039 0.000 2.143 33 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.248 33 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.248 33 G C -0.212 174.710 174.900 0.036 0.000 0.991 33 G CA 0.255 45.376 45.100 0.035 0.000 0.689 33 G HN 0.785 nan 8.290 nan 0.000 0.522 34 E N 0.475 120.701 120.200 0.043 0.000 2.338 34 E HA 0.315 4.665 4.350 -0.000 0.000 0.272 34 E C 0.067 176.693 176.600 0.044 0.000 1.029 34 E CA -0.411 56.014 56.400 0.041 0.000 0.872 34 E CB 0.396 30.125 29.700 0.049 0.000 1.015 34 E HN 0.383 nan 8.360 nan 0.000 0.417 35 E N 5.347 125.566 120.200 0.031 0.000 2.044 35 E HA 0.069 4.419 4.350 -0.000 0.000 0.282 35 E C 0.636 177.250 176.600 0.024 0.000 1.031 35 E CA -0.197 56.220 56.400 0.028 0.000 0.824 35 E CB 0.499 30.206 29.700 0.012 0.000 1.076 35 E HN 0.634 nan 8.360 nan 0.000 0.395 36 L N 4.307 125.553 121.223 0.037 0.000 2.162 36 L HA 0.070 4.410 4.340 -0.000 0.000 0.205 36 L C 0.410 177.323 176.870 0.071 0.000 1.086 36 L CA 0.640 55.493 54.840 0.022 0.000 0.778 36 L CB 0.085 42.123 42.059 -0.034 0.000 0.928 36 L HN 0.545 nan 8.230 nan 0.000 0.446 37 Y N -0.980 119.291 120.300 -0.050 0.000 2.513 37 Y HA 0.443 4.993 4.550 -0.000 0.000 0.340 37 Y C -0.848 175.043 175.900 -0.015 0.000 1.055 37 Y CA -0.819 57.256 58.100 -0.042 0.000 1.020 37 Y CB 2.095 40.518 38.460 -0.062 0.000 1.301 37 Y HN -0.274 nan 8.280 nan 0.000 0.453 38 S N 5.891 121.286 115.700 -0.508 0.000 2.680 38 S HA 0.497 4.967 4.470 -0.000 0.000 0.262 38 S C -1.817 172.572 174.600 -0.353 0.000 1.138 38 S CA -0.649 57.396 58.200 -0.258 0.000 1.072 38 S CB 0.498 63.617 63.200 -0.135 0.000 1.097 38 S HN 0.792 nan 8.310 nan 0.000 0.468 39 R N 3.216 123.632 120.500 -0.139 0.000 2.513 39 R HA 0.363 4.703 4.340 -0.000 0.000 0.301 39 R C -0.860 175.451 176.300 0.018 0.000 0.968 39 R CA -0.313 55.754 56.100 -0.055 0.000 0.872 39 R CB 0.576 30.906 30.300 0.051 0.000 1.177 39 R HN 0.698 nan 8.270 nan 0.000 0.444 40 D N 3.189 123.589 120.400 0.000 0.000 2.686 40 D HA -0.170 4.470 4.640 -0.000 0.000 0.235 40 D C 0.781 177.096 176.300 0.026 0.000 1.160 40 D CA 1.307 55.317 54.000 0.016 0.000 0.645 40 D CB -0.728 40.089 40.800 0.028 0.000 1.039 40 D HN 0.947 nan 8.370 nan 0.000 0.423 41 G N 0.005 108.815 108.800 0.018 0.000 2.484 41 G HA2 0.045 4.005 3.960 -0.000 0.000 0.218 41 G HA3 0.045 4.005 3.960 -0.000 0.000 0.218 41 G C 1.432 176.351 174.900 0.031 0.000 1.130 41 G CA 0.730 45.848 45.100 0.030 0.000 0.784 41 G HN 0.469 nan 8.290 nan 0.000 0.543 42 G N -0.469 108.344 108.800 0.021 0.000 3.277 42 G HA2 0.308 4.268 3.960 -0.000 0.000 0.243 42 G HA3 0.308 4.268 3.960 -0.000 0.000 0.243 42 G C 0.188 175.099 174.900 0.019 0.000 1.107 42 G CA -0.225 44.887 45.100 0.020 0.000 0.771 42 G HN 0.387 nan 8.290 nan 0.000 0.544 43 E N 0.921 121.134 120.200 0.022 0.000 2.338 43 E HA 0.251 4.601 4.350 -0.000 0.000 0.272 43 E C 0.184 176.798 176.600 0.022 0.000 1.029 43 E CA -0.190 56.222 56.400 0.021 0.000 0.872 43 E CB 0.422 30.136 29.700 0.024 0.000 1.015 43 E HN 0.194 nan 8.360 nan 0.000 0.417 44 Q N 3.690 123.499 119.800 0.015 0.000 2.307 44 Q HA 0.343 4.683 4.340 -0.000 0.000 0.259 44 Q C -0.744 175.264 176.000 0.013 0.000 0.998 44 Q CA -0.075 55.735 55.803 0.011 0.000 0.923 44 Q CB 0.648 29.387 28.738 0.002 0.000 1.196 44 Q HN 0.491 nan 8.270 nan 0.000 0.416 45 L N 2.255 123.489 121.223 0.017 0.000 2.350 45 L HA 0.502 4.842 4.340 -0.000 0.000 0.260 45 L C -0.572 176.307 176.870 0.015 0.000 1.015 45 L CA -1.021 53.832 54.840 0.021 0.000 0.821 45 L CB 1.699 43.779 42.059 0.035 0.000 1.370 45 L HN 0.399 nan 8.230 nan 0.000 0.416 46 L N 2.745 123.975 121.223 0.011 0.000 2.410 46 L HA 0.200 4.540 4.340 -0.000 0.000 0.273 46 L C -1.519 175.361 176.870 0.015 0.000 1.152 46 L CA -1.205 53.637 54.840 0.003 0.000 0.855 46 L CB 0.430 42.483 42.059 -0.011 0.000 1.129 46 L HN 0.437 nan 8.230 nan 0.000 0.463 47 P HA 0.015 nan 4.420 nan 0.000 0.245 47 P C 0.855 178.169 177.300 0.023 0.000 1.203 47 P CA 0.832 63.960 63.100 0.046 0.000 0.792 47 P CB 0.670 32.423 31.700 0.089 0.000 0.997 48 A N 0.987 123.803 122.820 -0.007 0.000 5.476 48 A HA -0.296 4.024 4.320 -0.000 0.000 0.327 48 A C 1.839 179.417 177.584 -0.010 0.000 1.778 48 A CA 2.168 54.183 52.037 -0.038 0.000 0.721 48 A CB -2.378 16.583 19.000 -0.065 0.000 1.388 48 A HN 0.221 nan 8.150 nan 0.000 0.397 49 S N 0.846 116.524 115.700 -0.035 0.000 2.603 49 S HA -0.038 4.431 4.470 -0.000 0.000 0.229 49 S C 1.307 175.899 174.600 -0.012 0.000 0.972 49 S CA 0.999 59.184 58.200 -0.025 0.000 0.935 49 S CB -0.624 62.534 63.200 -0.069 0.000 0.769 49 S HN 0.605 nan 8.310 nan 0.000 0.536 50 N N 1.575 120.282 118.700 0.011 0.000 2.453 50 N HA 0.016 4.756 4.740 -0.000 0.000 0.183 50 N C 1.421 177.032 175.510 0.168 0.000 1.041 50 N CA 0.420 53.491 53.050 0.035 0.000 0.900 50 N CB -0.341 38.173 38.487 0.044 0.000 0.961 50 N HN 0.255 nan 8.380 nan 0.000 0.443 51 M N 1.121 120.843 119.600 0.203 0.000 2.202 51 M HA -0.097 4.383 4.480 -0.000 0.000 0.262 51 M C 1.281 177.785 176.300 0.339 0.000 1.063 51 M CA 1.503 56.992 55.300 0.315 0.000 1.097 51 M CB -0.133 32.570 32.600 0.173 0.000 1.382 51 M HN -0.048 nan 8.290 nan 0.000 0.413 52 K N -0.501 120.016 120.400 0.196 0.000 2.280 52 K HA -0.125 4.195 4.320 -0.000 0.000 0.202 52 K C 1.829 178.510 176.600 0.136 0.000 1.047 52 K CA 1.176 57.564 56.287 0.169 0.000 0.942 52 K CB -0.424 32.042 32.500 -0.056 0.000 0.739 52 K HN 0.396 nan 8.250 nan 0.000 0.457 53 L N -0.288 120.979 121.223 0.074 0.000 2.017 53 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 53 L C 2.134 179.121 176.870 0.194 0.000 1.073 53 L CA 1.491 56.369 54.840 0.064 0.000 0.745 53 L CB -0.476 41.520 42.059 -0.105 0.000 0.894 53 L HN 0.076 nan 8.230 nan 0.000 0.432 54 F N -0.392 119.695 119.950 0.229 0.000 2.113 54 F HA -0.203 4.324 4.527 -0.000 0.000 0.297 54 F C 2.686 178.595 175.800 0.182 0.000 1.103 54 F CA 1.644 59.757 58.000 0.188 0.000 1.248 54 F CB -1.117 37.960 39.000 0.129 0.000 0.999 54 F HN -0.037 nan 8.300 nan 0.000 0.475 55 T N 0.040 114.832 114.554 0.396 0.000 2.684 55 T HA -0.237 4.113 4.350 -0.000 0.000 0.267 55 T C 2.267 177.129 174.700 0.271 0.000 1.036 55 T CA 1.452 63.735 62.100 0.306 0.000 1.148 55 T CB -0.723 68.353 68.868 0.347 0.000 0.863 55 T HN 0.312 nan 8.240 nan 0.000 0.436 56 A N 1.403 124.437 122.820 0.358 0.000 1.902 56 A HA 0.168 4.488 4.320 -0.000 0.000 0.217 56 A C 2.657 180.326 177.584 0.142 0.000 1.181 56 A CA 1.868 54.111 52.037 0.343 0.000 0.623 56 A CB -1.145 18.084 19.000 0.382 0.000 0.818 56 A HN 0.511 nan 8.150 nan 0.000 0.443 57 A N -0.105 122.827 122.820 0.186 0.000 1.877 57 A HA 0.154 4.474 4.320 -0.000 0.000 0.216 57 A C 2.523 180.002 177.584 -0.175 0.000 1.186 57 A CA 2.162 54.092 52.037 -0.177 0.000 0.620 57 A CB -1.081 17.911 19.000 -0.013 0.000 0.822 57 A HN 1.085 nan 8.150 nan 0.000 0.443 58 A N -0.170 122.664 122.820 0.022 0.000 1.902 58 A HA 0.135 4.455 4.320 -0.000 0.000 0.217 58 A C 2.481 180.043 177.584 -0.037 0.000 1.181 58 A CA 2.146 54.201 52.037 0.030 0.000 0.623 58 A CB -0.972 18.082 19.000 0.090 0.000 0.818 58 A HN 1.088 nan 8.150 nan 0.000 0.443 59 A N -0.570 122.225 122.820 -0.040 0.000 1.969 59 A HA 0.035 4.355 4.320 -0.000 0.000 0.218 59 A C 2.147 179.640 177.584 -0.151 0.000 1.169 59 A CA 1.394 53.393 52.037 -0.063 0.000 0.635 59 A CB -0.483 18.510 19.000 -0.012 0.000 0.810 59 A HN 0.468 nan 8.150 nan 0.000 0.445 60 L N -0.802 120.226 121.223 -0.325 0.000 2.072 60 L HA -0.118 4.222 4.340 -0.000 0.000 0.205 60 L C 2.635 179.284 176.870 -0.368 0.000 1.079 60 L CA 1.019 55.536 54.840 -0.538 0.000 0.752 60 L CB -0.434 40.828 42.059 -1.328 0.000 0.906 60 L HN 0.312 nan 8.230 nan 0.000 0.436 61 E N -0.174 119.880 120.200 -0.245 0.000 2.058 61 E HA -0.186 4.163 4.350 -0.000 0.000 0.194 61 E C 2.259 178.876 176.600 0.028 0.000 0.997 61 E CA 1.365 57.797 56.400 0.054 0.000 0.801 61 E CB -0.174 29.594 29.700 0.113 0.000 0.746 61 E HN 0.301 nan 8.360 nan 0.000 0.450 62 V N 0.559 120.458 119.914 -0.024 0.000 2.374 62 V HA -0.139 3.981 4.120 -0.000 0.000 0.241 62 V C 2.226 178.289 176.094 -0.052 0.000 1.034 62 V CA 0.823 63.110 62.300 -0.022 0.000 1.037 62 V CB -0.196 31.611 31.823 -0.027 0.000 0.682 62 V HN 0.131 nan 8.190 nan 0.000 0.463 63 L N -0.003 121.154 121.223 -0.110 0.000 2.127 63 L HA 0.401 4.741 4.340 -0.000 0.000 0.203 63 L C 1.139 177.980 176.870 -0.049 0.000 1.080 63 L CA 1.759 56.472 54.840 -0.212 0.000 0.768 63 L CB -1.364 40.459 42.059 -0.394 0.000 0.924 63 L HN 0.558 nan 8.230 nan 0.000 0.444 64 G N -2.338 106.446 108.800 -0.027 0.000 2.675 64 G HA2 0.057 4.017 3.960 -0.000 0.000 0.686 64 G HA3 0.057 4.017 3.960 -0.000 0.000 0.686 64 G C 0.634 175.553 174.900 0.032 0.000 1.215 64 G CA -0.088 45.030 45.100 0.030 0.000 0.777 64 G HN 0.393 nan 8.290 nan 0.000 0.638 65 A N 0.218 123.073 122.820 0.058 0.000 2.015 65 A HA 0.171 4.491 4.320 -0.000 0.000 0.219 65 A C 1.741 179.355 177.584 0.048 0.000 1.163 65 A CA 2.378 54.456 52.037 0.069 0.000 0.646 65 A CB -0.247 18.828 19.000 0.125 0.000 0.806 65 A HN 1.487 nan 8.150 nan 0.000 0.448 66 D N -1.987 118.432 120.400 0.032 0.000 2.525 66 D HA 0.150 4.790 4.640 -0.000 0.000 0.229 66 D C 0.214 176.469 176.300 -0.075 0.000 1.202 66 D CA -0.503 53.488 54.000 -0.015 0.000 0.828 66 D CB -1.147 39.645 40.800 -0.013 0.000 1.008 66 D HN 0.517 nan 8.370 nan 0.000 0.493 67 H N 1.098 120.069 119.070 -0.164 0.000 2.886 67 H HA 0.352 4.908 4.556 -0.000 0.000 0.329 67 H C 0.003 175.039 175.328 -0.486 0.000 1.044 67 H CA 0.040 55.905 56.048 -0.304 0.000 1.456 67 H CB 0.663 30.232 29.762 -0.322 0.000 1.464 67 H HN 0.117 nan 8.280 nan 0.000 0.573 68 S N 4.081 119.192 115.700 -0.981 0.000 2.600 68 S HA 0.572 5.042 4.470 -0.000 0.000 0.300 68 S C -1.137 172.893 174.600 -0.950 0.000 1.087 68 S CA -0.953 56.787 58.200 -0.766 0.000 0.965 68 S CB 1.289 64.233 63.200 -0.427 0.000 1.089 68 S HN 0.428 nan 8.310 nan 0.000 0.496 69 F N 0.448 120.264 119.950 -0.224 0.000 2.495 69 F HA 0.700 5.227 4.527 0.000 0.000 0.327 69 F C 0.960 176.622 175.800 -0.231 0.000 1.103 69 F CA -0.528 57.357 58.000 -0.191 0.000 0.949 69 F CB 2.134 41.068 39.000 -0.110 0.000 1.142 69 F HN 0.944 nan 8.300 nan 0.000 0.457 70 G N 0.704 109.447 108.800 -0.095 0.000 2.410 70 G HA2 0.632 4.592 3.960 -0.000 0.000 0.330 70 G HA3 0.632 4.592 3.960 -0.000 0.000 0.330 70 G C -1.259 173.548 174.900 -0.154 0.000 1.142 70 G CA -0.587 44.417 45.100 -0.160 0.000 0.902 70 G HN 0.520 nan 8.290 nan 0.000 0.491 71 T N 1.295 115.787 114.554 -0.103 0.000 2.928 71 T HA 0.496 4.846 4.350 -0.000 0.000 0.296 71 T C -0.566 174.077 174.700 -0.094 0.000 1.000 71 T CA -0.530 61.505 62.100 -0.109 0.000 0.989 71 T CB 2.132 70.961 68.868 -0.064 0.000 1.005 71 T HN 0.594 nan 8.240 nan 0.000 0.442 72 E N 1.024 121.155 120.200 -0.114 0.000 2.316 72 E HA 0.792 5.142 4.350 -0.000 0.000 0.258 72 E C -1.116 175.441 176.600 -0.072 0.000 0.952 72 E CA -1.166 55.190 56.400 -0.073 0.000 0.818 72 E CB 2.119 31.786 29.700 -0.055 0.000 1.260 72 E HN 0.249 nan 8.360 nan 0.000 0.416 73 V N 0.682 120.592 119.914 -0.008 0.000 2.623 73 V HA 0.706 4.826 4.120 -0.000 0.000 0.304 73 V C -0.909 175.264 176.094 0.132 0.000 1.054 73 V CA -0.654 61.681 62.300 0.059 0.000 0.882 73 V CB 1.433 33.312 31.823 0.092 0.000 1.002 73 V HN 0.772 nan 8.190 nan 0.000 0.424 74 A N 3.419 126.370 122.820 0.220 0.000 2.454 74 A HA 1.055 5.375 4.320 -0.000 0.000 0.302 74 A C -0.416 177.405 177.584 0.396 0.000 1.079 74 A CA -0.121 52.072 52.037 0.260 0.000 0.731 74 A CB 2.052 21.200 19.000 0.248 0.000 1.299 74 A HN 1.516 nan 8.150 nan 0.000 0.413 75 A N -0.058 122.906 122.820 0.240 0.000 2.437 75 A HA 0.710 5.029 4.320 -0.000 0.000 0.292 75 A C 0.697 178.016 177.584 -0.443 0.000 1.173 75 A CA 0.205 52.294 52.037 0.087 0.000 0.785 75 A CB 0.861 19.884 19.000 0.040 0.000 1.351 75 A HN 0.994 nan 8.150 nan 0.000 0.431 76 E N -0.102 119.455 120.200 -1.072 0.000 2.085 76 E HA -0.080 4.270 4.350 -0.000 0.000 0.194 76 E C 0.531 176.772 176.600 -0.599 0.000 0.994 76 E CA 1.606 57.154 56.400 -1.421 0.000 0.801 76 E CB 0.025 28.923 29.700 -1.338 0.000 0.743 76 E HN 0.762 nan 8.360 nan 0.000 0.453 77 S N -1.732 113.757 115.700 -0.352 0.000 2.615 77 S HA 0.658 5.128 4.470 -0.000 0.000 0.269 77 S C -0.711 173.821 174.600 -0.113 0.000 1.161 77 S CA -0.727 57.358 58.200 -0.191 0.000 0.817 77 S CB 1.149 64.252 63.200 -0.162 0.000 1.131 77 S HN 0.273 nan 8.310 nan 0.000 0.467 78 A N 2.112 124.889 122.820 -0.072 0.000 2.565 78 A HA 0.450 4.770 4.320 -0.000 0.000 0.237 78 A C -0.493 177.067 177.584 -0.039 0.000 1.053 78 A CA -0.553 51.459 52.037 -0.042 0.000 0.755 78 A CB -0.811 18.170 19.000 -0.031 0.000 0.980 78 A HN 0.768 nan 8.150 nan 0.000 0.506 79 P HA -0.020 nan 4.420 nan 0.000 0.214 79 P C 0.977 178.266 177.300 -0.019 0.000 1.163 79 P CA 1.677 64.766 63.100 -0.018 0.000 0.889 79 P CB -0.349 31.347 31.700 -0.007 0.000 0.790 80 G N -0.636 108.155 108.800 -0.016 0.000 2.685 80 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.387 80 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.387 80 G C 0.665 175.559 174.900 -0.010 0.000 1.324 80 G CA 0.043 45.135 45.100 -0.014 0.000 0.878 80 G HN 0.318 nan 8.290 nan 0.000 0.527 81 R N 0.187 120.681 120.500 -0.009 0.000 2.096 81 R HA -0.069 4.271 4.340 -0.000 0.000 0.240 81 R C 2.483 178.779 176.300 -0.007 0.000 1.139 81 R CA 2.041 58.136 56.100 -0.008 0.000 0.952 81 R CB -0.244 30.052 30.300 -0.007 0.000 0.854 81 R HN 0.542 nan 8.270 nan 0.000 0.436 82 R N -0.851 119.645 120.500 -0.007 0.000 2.313 82 R HA 0.018 4.358 4.340 -0.000 0.000 0.199 82 R C 0.521 176.817 176.300 -0.006 0.000 0.958 82 R CA 0.577 56.673 56.100 -0.006 0.000 1.047 82 R CB 0.141 30.438 30.300 -0.006 0.000 0.955 82 R HN 0.556 nan 8.270 nan 0.000 0.481 83 G N 1.576 110.372 108.800 -0.006 0.000 2.295 83 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.287 83 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.287 83 G C -0.504 174.394 174.900 -0.004 0.000 1.055 83 G CA 0.167 45.264 45.100 -0.005 0.000 0.922 83 G HN 0.383 nan 8.290 nan 0.000 0.503 84 E N -0.704 119.494 120.200 -0.004 0.000 2.187 84 E HA 0.562 4.912 4.350 -0.000 0.000 0.268 84 E C 0.441 177.042 176.600 0.001 0.000 0.896 84 E CA -0.570 55.830 56.400 0.000 0.000 0.766 84 E CB 2.572 32.272 29.700 0.000 0.000 1.142 84 E HN 0.632 nan 8.360 nan 0.000 0.408 85 V N -0.114 119.807 119.914 0.012 0.000 3.166 85 V HA 0.391 4.511 4.120 -0.000 0.000 0.317 85 V C 0.411 176.528 176.094 0.039 0.000 1.136 85 V CA -0.686 61.626 62.300 0.019 0.000 1.035 85 V CB 2.039 33.884 31.823 0.037 0.000 1.110 85 V HN 0.542 nan 8.190 nan 0.000 0.450 86 Q N 0.288 120.124 119.800 0.061 0.000 1.957 86 Q HA 0.284 4.624 4.340 -0.000 0.000 0.251 86 Q C -0.222 175.865 176.000 0.145 0.000 0.973 86 Q CA 0.756 56.618 55.803 0.098 0.000 0.862 86 Q CB -0.133 28.677 28.738 0.120 0.000 0.962 86 Q HN 0.911 nan 8.270 nan 0.000 0.473 87 D N 0.582 121.134 120.400 0.253 0.000 2.225 87 D HA 0.366 5.006 4.640 -0.000 0.000 0.249 87 D C -0.416 176.109 176.300 0.374 0.000 1.052 87 D CA -0.096 54.101 54.000 0.328 0.000 0.909 87 D CB 1.187 42.305 40.800 0.530 0.000 1.186 87 D HN 0.059 nan 8.370 nan 0.000 0.431 88 L N 1.788 123.163 121.223 0.253 0.000 2.354 88 L HA 0.420 4.760 4.340 -0.000 0.000 0.269 88 L C -1.359 175.627 176.870 0.193 0.000 1.005 88 L CA -0.866 54.153 54.840 0.297 0.000 0.819 88 L CB 1.442 43.625 42.059 0.207 0.000 1.311 88 L HN 0.368 nan 8.230 nan 0.000 0.423 89 Y N 3.132 123.596 120.300 0.274 0.000 2.331 89 Y HA 0.313 4.863 4.550 -0.000 0.000 0.334 89 Y C -0.246 175.710 175.900 0.093 0.000 0.960 89 Y CA -0.641 57.573 58.100 0.190 0.000 1.130 89 Y CB 2.005 40.533 38.460 0.113 0.000 1.164 89 Y HN 0.296 nan 8.280 nan 0.000 0.458 90 L N 5.778 127.079 121.223 0.131 0.000 2.282 90 L HA 0.509 4.849 4.340 -0.000 0.000 0.287 90 L C -1.041 175.815 176.870 -0.024 0.000 1.075 90 L CA -0.528 54.268 54.840 -0.073 0.000 0.839 90 L CB 0.071 41.999 42.059 -0.218 0.000 1.219 90 L HN 0.384 nan 8.230 nan 0.000 0.434 91 V N 4.901 124.790 119.914 -0.041 0.000 2.333 91 V HA 0.646 4.766 4.120 -0.000 0.000 0.274 91 V C 0.903 176.920 176.094 -0.129 0.000 1.028 91 V CA -0.423 61.847 62.300 -0.050 0.000 0.851 91 V CB 0.734 32.531 31.823 -0.043 0.000 1.000 91 V HN 0.837 nan 8.190 nan 0.000 0.456 92 G N 3.760 112.476 108.800 -0.139 0.000 2.367 92 G HA2 0.591 4.551 3.960 -0.000 0.000 0.314 92 G HA3 0.591 4.551 3.960 -0.000 0.000 0.314 92 G C 0.053 174.767 174.900 -0.309 0.000 1.130 92 G CA -0.674 44.304 45.100 -0.204 0.000 0.864 92 G HN 0.681 nan 8.290 nan 0.000 0.486 93 R N 1.159 121.397 120.500 -0.438 0.000 2.734 93 R HA 0.338 4.678 4.340 -0.000 0.000 0.395 93 R C 0.949 176.901 176.300 -0.580 0.000 1.096 93 R CA 0.236 55.833 56.100 -0.839 0.000 1.071 93 R CB 0.880 30.494 30.300 -1.144 0.000 1.348 93 R HN 1.006 nan 8.270 nan 0.000 0.600 94 G N 0.822 109.335 108.800 -0.479 0.000 2.144 94 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 94 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 94 G C -0.342 174.238 174.900 -0.534 0.000 0.988 94 G CA -0.135 44.692 45.100 -0.455 0.000 0.659 94 G HN 0.406 nan 8.290 nan 0.000 0.522 95 D N 1.207 121.395 120.400 -0.353 0.000 2.363 95 D HA 0.364 5.004 4.640 -0.000 0.000 0.263 95 D C -0.642 175.479 176.300 -0.298 0.000 1.258 95 D CA -1.568 52.255 54.000 -0.295 0.000 0.907 95 D CB 1.240 41.998 40.800 -0.069 0.000 1.107 95 D HN 0.211 nan 8.370 nan 0.000 0.495 96 P HA 0.070 nan 4.420 nan 0.000 0.257 96 P C 0.194 177.367 177.300 -0.212 0.000 1.281 96 P CA 0.294 63.214 63.100 -0.299 0.000 0.826 96 P CB 0.060 31.409 31.700 -0.585 0.000 1.237 97 T N -3.796 110.586 114.554 -0.287 0.000 3.442 97 T HA 0.229 4.579 4.350 -0.000 0.000 0.295 97 T C 0.003 174.593 174.700 -0.183 0.000 1.007 97 T CA -0.410 61.380 62.100 -0.517 0.000 0.962 97 T CB -0.537 67.641 68.868 -1.151 0.000 1.187 97 T HN -0.051 nan 8.240 nan 0.000 0.490 98 L N 3.849 125.052 121.223 -0.033 0.000 2.283 98 L HA 0.487 4.827 4.340 -0.000 0.000 0.287 98 L C 0.390 177.286 176.870 0.044 0.000 1.073 98 L CA -0.164 54.663 54.840 -0.021 0.000 0.822 98 L CB 0.730 42.761 42.059 -0.047 0.000 1.186 98 L HN 0.610 nan 8.230 nan 0.000 0.436 99 S N 3.253 118.978 115.700 0.041 0.000 2.687 99 S HA 0.454 4.923 4.470 -0.000 0.000 0.283 99 S C 1.103 175.709 174.600 0.009 0.000 1.170 99 S CA -0.159 58.088 58.200 0.078 0.000 1.008 99 S CB 1.828 65.100 63.200 0.120 0.000 1.026 99 S HN 0.682 nan 8.310 nan 0.000 0.541 100 A N 1.036 123.870 122.820 0.024 0.000 1.940 100 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 100 A C 2.099 179.685 177.584 0.004 0.000 1.176 100 A CA 1.455 53.503 52.037 0.017 0.000 0.631 100 A CB -0.991 18.023 19.000 0.024 0.000 0.814 100 A HN 0.922 nan 8.150 nan 0.000 0.446 101 E N 0.507 120.705 120.200 -0.004 0.000 2.065 101 E HA -0.251 4.099 4.350 -0.000 0.000 0.201 101 E C 1.439 178.018 176.600 -0.035 0.000 1.016 101 E CA 1.575 57.968 56.400 -0.010 0.000 0.818 101 E CB -0.560 29.139 29.700 -0.002 0.000 0.749 101 E HN 0.601 nan 8.360 nan 0.000 0.453 102 D N 0.959 121.300 120.400 -0.098 0.000 2.149 102 D HA -0.133 4.507 4.640 -0.000 0.000 0.198 102 D C 2.244 178.467 176.300 -0.129 0.000 0.990 102 D CA 0.711 54.568 54.000 -0.237 0.000 0.839 102 D CB -0.342 40.136 40.800 -0.537 0.000 0.948 102 D HN 0.167 nan 8.370 nan 0.000 0.460 103 L N 0.450 121.646 121.223 -0.045 0.000 2.083 103 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 103 L C 2.208 179.194 176.870 0.194 0.000 1.083 103 L CA 1.213 56.107 54.840 0.090 0.000 0.752 103 L CB -0.358 41.787 42.059 0.144 0.000 0.899 103 L HN -0.024 nan 8.230 nan 0.000 0.433 104 D N -0.053 120.398 120.400 0.086 0.000 2.117 104 D HA -0.182 4.457 4.640 -0.000 0.000 0.197 104 D C 2.179 178.514 176.300 0.058 0.000 0.987 104 D CA 1.326 55.359 54.000 0.055 0.000 0.829 104 D CB 0.154 40.964 40.800 0.016 0.000 0.961 104 D HN 0.252 nan 8.370 nan 0.000 0.460 105 A N 0.155 123.000 122.820 0.042 0.000 1.883 105 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 105 A C 2.333 179.965 177.584 0.081 0.000 1.186 105 A CA 1.778 53.843 52.037 0.046 0.000 0.624 105 A CB -0.690 18.330 19.000 0.033 0.000 0.822 105 A HN 0.340 nan 8.150 nan 0.000 0.444 106 M N -0.819 118.850 119.600 0.116 0.000 2.229 106 M HA -0.114 4.366 4.480 -0.000 0.000 0.264 106 M C 2.528 178.993 176.300 0.276 0.000 1.063 106 M CA 1.203 56.607 55.300 0.173 0.000 1.114 106 M CB -0.430 32.241 32.600 0.117 0.000 1.387 106 M HN 0.515 nan 8.290 nan 0.000 0.420 107 A N 0.637 123.636 122.820 0.299 0.000 1.877 107 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 107 A C 2.387 179.988 177.584 0.028 0.000 1.186 107 A CA 1.933 54.017 52.037 0.079 0.000 0.620 107 A CB -1.002 17.928 19.000 -0.117 0.000 0.822 107 A HN 0.481 nan 8.150 nan 0.000 0.443 108 A N -0.556 122.283 122.820 0.032 0.000 1.948 108 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 108 A C 1.972 179.575 177.584 0.031 0.000 1.177 108 A CA 1.969 54.017 52.037 0.019 0.000 0.636 108 A CB -0.554 18.458 19.000 0.019 0.000 0.815 108 A HN 0.668 nan 8.150 nan 0.000 0.449 109 E N -0.631 119.603 120.200 0.057 0.000 2.072 109 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 109 E C 1.942 178.576 176.600 0.056 0.000 0.985 109 E CA 1.173 57.607 56.400 0.056 0.000 0.801 109 E CB -0.113 29.630 29.700 0.072 0.000 0.750 109 E HN 0.374 nan 8.360 nan 0.000 0.452 110 V N 0.908 120.868 119.914 0.076 0.000 2.343 110 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 110 V C 2.251 178.363 176.094 0.030 0.000 1.051 110 V CA 1.852 64.194 62.300 0.070 0.000 1.036 110 V CB -0.585 31.298 31.823 0.100 0.000 0.654 110 V HN 0.366 nan 8.190 nan 0.000 0.451 111 A N -0.184 122.643 122.820 0.011 0.000 1.929 111 A HA -0.001 4.319 4.320 -0.000 0.000 0.216 111 A C 2.395 179.982 177.584 0.004 0.000 1.176 111 A CA 1.688 53.724 52.037 -0.003 0.000 0.628 111 A CB -0.653 18.337 19.000 -0.016 0.000 0.816 111 A HN 0.551 nan 8.150 nan 0.000 0.444 112 A N 0.417 123.243 122.820 0.010 0.000 1.972 112 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 112 A C 2.426 180.016 177.584 0.011 0.000 1.169 112 A CA 2.142 54.185 52.037 0.010 0.000 0.635 112 A CB -0.807 18.201 19.000 0.014 0.000 0.810 112 A HN 0.974 nan 8.150 nan 0.000 0.446 113 S N -2.242 113.468 115.700 0.016 0.000 2.461 113 S HA 0.347 4.817 4.470 -0.000 0.000 0.228 113 S C 1.349 175.954 174.600 0.009 0.000 1.005 113 S CA 1.280 59.488 58.200 0.015 0.000 0.942 113 S CB -0.016 63.198 63.200 0.023 0.000 0.776 113 S HN 1.755 nan 8.310 nan 0.000 0.514 114 G N -0.164 108.640 108.800 0.007 0.000 2.321 114 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.174 114 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.174 114 G C -0.214 174.686 174.900 0.001 0.000 1.008 114 G CA -0.231 44.870 45.100 0.002 0.000 0.739 114 G HN 0.537 nan 8.290 nan 0.000 0.502 115 V N 1.788 121.704 119.914 0.004 0.000 2.461 115 V HA 0.479 4.599 4.120 -0.000 0.000 0.275 115 V C 1.433 177.521 176.094 -0.008 0.000 1.047 115 V CA 0.510 62.811 62.300 0.002 0.000 0.955 115 V CB 1.130 32.960 31.823 0.012 0.000 0.988 115 V HN 0.604 nan 8.190 nan 0.000 0.471 116 R N 2.429 122.923 120.500 -0.011 0.000 2.287 116 R HA 0.269 4.609 4.340 -0.000 0.000 0.197 116 R C 0.182 176.469 176.300 -0.021 0.000 0.900 116 R CA 0.017 56.106 56.100 -0.018 0.000 1.052 116 R CB 0.495 30.786 30.300 -0.015 0.000 1.117 116 R HN 0.552 nan 8.270 nan 0.000 0.568 117 T N 1.314 115.860 114.554 -0.014 0.000 2.937 117 T HA 0.343 4.693 4.350 -0.000 0.000 0.297 117 T C -1.194 173.504 174.700 -0.004 0.000 0.991 117 T CA -0.594 61.498 62.100 -0.013 0.000 0.990 117 T CB 2.426 71.288 68.868 -0.010 0.000 0.991 117 T HN -0.080 nan 8.240 nan 0.000 0.440 118 V N 4.577 124.486 119.914 -0.008 0.000 2.339 118 V HA 0.239 4.359 4.120 -0.000 0.000 0.261 118 V C 1.506 177.603 176.094 0.005 0.000 1.058 118 V CA -0.358 61.946 62.300 0.007 0.000 0.897 118 V CB 0.655 32.479 31.823 0.001 0.000 1.052 118 V HN 0.667 nan 8.190 nan 0.000 0.480 119 R N 4.252 124.763 120.500 0.018 0.000 2.090 119 R HA 0.094 4.434 4.340 -0.000 0.000 0.228 119 R C 1.355 177.670 176.300 0.024 0.000 1.110 119 R CA 1.364 57.474 56.100 0.017 0.000 0.973 119 R CB -0.354 29.958 30.300 0.021 0.000 0.869 119 R HN 0.741 nan 8.270 nan 0.000 0.440 120 G N -0.858 107.968 108.800 0.044 0.000 2.714 120 G HA2 0.145 4.104 3.960 -0.000 0.000 0.197 120 G HA3 0.145 4.104 3.960 -0.000 0.000 0.197 120 G C -0.795 174.112 174.900 0.011 0.000 1.449 120 G CA -0.483 44.651 45.100 0.055 0.000 1.065 120 G HN 0.188 nan 8.290 nan 0.000 0.575 121 D N -0.544 119.852 120.400 -0.006 0.000 2.277 121 D HA 0.399 5.039 4.640 -0.000 0.000 0.250 121 D C -0.568 175.582 176.300 -0.249 0.000 1.032 121 D CA -0.282 53.605 54.000 -0.188 0.000 0.947 121 D CB 2.327 42.902 40.800 -0.376 0.000 1.159 121 D HN 0.113 nan 8.370 nan 0.000 0.460 122 L N 1.822 122.849 121.223 -0.326 0.000 2.295 122 L HA 0.330 4.670 4.340 -0.000 0.000 0.285 122 L C -1.524 175.062 176.870 -0.473 0.000 1.035 122 L CA -0.350 54.338 54.840 -0.253 0.000 0.806 122 L CB 0.447 42.453 42.059 -0.088 0.000 1.214 122 L HN 0.223 nan 8.230 nan 0.000 0.426 123 Y N 3.503 123.619 120.300 -0.308 0.000 2.429 123 Y HA 0.732 5.282 4.550 -0.000 0.000 0.342 123 Y C 0.219 176.033 175.900 -0.143 0.000 1.004 123 Y CA -0.750 57.158 58.100 -0.319 0.000 1.075 123 Y CB 2.019 40.048 38.460 -0.718 0.000 1.214 123 Y HN 0.724 nan 8.280 nan 0.000 0.455 124 A N 2.359 125.248 122.820 0.115 0.000 2.258 124 A HA 0.386 4.706 4.320 -0.000 0.000 0.316 124 A C -1.128 176.524 177.584 0.114 0.000 1.279 124 A CA -0.535 51.553 52.037 0.085 0.000 0.876 124 A CB 0.250 19.278 19.000 0.046 0.000 1.170 124 A HN 0.650 nan 8.150 nan 0.000 0.520 125 D N 2.876 123.339 120.400 0.106 0.000 2.460 125 D HA 0.239 4.879 4.640 -0.000 0.000 0.232 125 D C -0.563 175.760 176.300 0.037 0.000 1.079 125 D CA -0.278 53.785 54.000 0.105 0.000 0.864 125 D CB 1.128 42.018 40.800 0.150 0.000 1.048 125 D HN 0.532 nan 8.370 nan 0.000 0.523 126 D N 1.414 121.835 120.400 0.035 0.000 2.501 126 D HA -0.058 4.582 4.640 -0.000 0.000 0.226 126 D C 1.220 177.547 176.300 0.045 0.000 1.198 126 D CA -0.160 53.844 54.000 0.006 0.000 0.830 126 D CB -0.211 40.587 40.800 -0.003 0.000 1.014 126 D HN 0.284 nan 8.370 nan 0.000 0.496 127 T N -4.123 110.471 114.554 0.067 0.000 3.098 127 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 127 T C 1.461 176.232 174.700 0.118 0.000 1.145 127 T CA -0.053 62.090 62.100 0.072 0.000 1.092 127 T CB -0.878 68.012 68.868 0.038 0.000 0.908 127 T HN 0.414 nan 8.240 nan 0.000 0.526 128 W N 1.101 122.358 121.300 -0.073 0.000 2.342 128 W HA 0.015 4.675 4.660 -0.000 0.000 0.297 128 W C -0.545 176.048 176.519 0.123 0.000 1.213 128 W CA 0.406 57.716 57.345 -0.058 0.000 1.251 128 W CB -0.028 29.313 29.460 -0.200 0.000 1.136 128 W HN 0.145 nan 8.180 nan 0.000 0.526 129 F N 1.486 121.423 119.950 -0.023 0.000 2.509 129 F HA 0.181 4.708 4.527 -0.000 0.000 0.334 129 F C 0.777 176.496 175.800 -0.135 0.000 1.060 129 F CA -2.002 55.898 58.000 -0.168 0.000 0.997 129 F CB -0.302 38.613 39.000 -0.143 0.000 1.271 129 F HN -0.211 nan 8.300 nan 0.000 0.488 130 D N -1.105 119.307 120.400 0.020 0.000 2.393 130 D HA 0.113 4.753 4.640 -0.000 0.000 0.246 130 D C 0.498 176.807 176.300 0.014 0.000 1.275 130 D CA -0.210 53.781 54.000 -0.015 0.000 0.979 130 D CB 0.192 40.954 40.800 -0.064 0.000 1.101 130 D HN 0.334 nan 8.370 nan 0.000 0.505 131 S N -2.475 113.236 115.700 0.018 0.000 2.575 131 S HA 0.062 4.532 4.470 -0.000 0.000 0.237 131 S C 0.344 174.973 174.600 0.049 0.000 0.975 131 S CA -0.678 57.546 58.200 0.040 0.000 0.960 131 S CB -0.551 62.675 63.200 0.043 0.000 0.822 131 S HN 0.544 nan 8.310 nan 0.000 0.472 132 E N 1.657 121.882 120.200 0.041 0.000 2.166 132 E HA 0.182 4.532 4.350 -0.000 0.000 0.279 132 E C 0.557 177.253 176.600 0.160 0.000 1.095 132 E CA -0.494 55.971 56.400 0.107 0.000 0.888 132 E CB 0.372 30.169 29.700 0.161 0.000 1.041 132 E HN 0.181 nan 8.360 nan 0.000 0.414 133 R N 2.952 123.553 120.500 0.169 0.000 2.173 133 R HA 0.211 4.551 4.340 -0.000 0.000 0.208 133 R C 0.290 176.765 176.300 0.292 0.000 1.035 133 R CA 0.559 56.778 56.100 0.198 0.000 1.004 133 R CB -0.098 30.296 30.300 0.157 0.000 0.917 133 R HN 0.461 nan 8.270 nan 0.000 0.462 134 L N 0.075 121.409 121.223 0.184 0.000 2.422 134 L HA 0.392 4.732 4.340 -0.000 0.000 0.264 134 L C -0.417 176.107 176.870 -0.576 0.000 0.984 134 L CA -1.098 53.691 54.840 -0.086 0.000 0.819 134 L CB 2.814 44.948 42.059 0.126 0.000 1.330 134 L HN -0.353 nan 8.230 nan 0.000 0.410 135 V N 1.660 120.597 119.914 -1.628 0.000 2.673 135 V HA -0.093 4.027 4.120 -0.000 0.000 0.303 135 V C 0.823 176.464 176.094 -0.754 0.000 1.046 135 V CA 0.382 61.726 62.300 -1.594 0.000 1.126 135 V CB 0.811 31.305 31.823 -2.216 0.000 0.934 135 V HN 1.029 nan 8.190 nan 0.000 0.487 136 D N 4.139 124.264 120.400 -0.457 0.000 2.303 136 D HA -0.328 4.312 4.640 -0.000 0.000 0.190 136 D C 1.151 177.409 176.300 -0.070 0.000 1.011 136 D CA 2.096 55.980 54.000 -0.194 0.000 0.860 136 D CB -0.323 40.387 40.800 -0.150 0.000 0.961 136 D HN 0.798 nan 8.370 nan 0.000 0.453 137 D N -1.937 118.435 120.400 -0.047 0.000 2.328 137 D HA -0.031 4.609 4.640 -0.000 0.000 0.221 137 D C -0.235 176.295 176.300 0.384 0.000 1.072 137 D CA -0.622 53.470 54.000 0.153 0.000 0.850 137 D CB -0.650 40.225 40.800 0.125 0.000 0.922 137 D HN 0.281 nan 8.370 nan 0.000 0.516 138 W N 1.158 122.500 121.300 0.069 0.000 2.193 138 W HA 0.190 4.849 4.660 -0.000 0.000 0.338 138 W C 0.363 177.073 176.519 0.317 0.000 1.310 138 W CA -1.071 56.328 57.345 0.091 0.000 1.243 138 W CB -0.011 29.462 29.460 0.023 0.000 1.165 138 W HN -0.030 nan 8.180 nan 0.000 0.566 139 W N 4.292 125.720 121.300 0.214 0.000 2.316 139 W HA 0.228 4.888 4.660 -0.000 0.000 0.311 139 W C -1.194 175.402 176.519 0.129 0.000 1.217 139 W CA -2.789 54.637 57.345 0.134 0.000 1.199 139 W CB -0.358 29.158 29.460 0.093 0.000 1.202 139 W HN 0.230 nan 8.180 nan 0.000 0.528 140 P HA -0.189 nan 4.420 nan 0.000 0.221 140 P C 0.872 178.277 177.300 0.174 0.000 1.145 140 P CA 1.703 64.918 63.100 0.191 0.000 0.795 140 P CB 0.456 32.227 31.700 0.119 0.000 0.775 141 E N -0.715 119.618 120.200 0.222 0.000 2.347 141 E HA -0.116 4.234 4.350 -0.000 0.000 0.196 141 E C 1.110 177.877 176.600 0.278 0.000 1.008 141 E CA 0.834 57.365 56.400 0.218 0.000 0.852 141 E CB -0.610 29.225 29.700 0.224 0.000 0.783 141 E HN 0.309 nan 8.360 nan 0.000 0.505 142 D N 0.188 120.751 120.400 0.270 0.000 2.339 142 D HA -0.020 4.620 4.640 -0.000 0.000 0.217 142 D C 1.067 177.397 176.300 0.050 0.000 1.050 142 D CA 0.234 54.388 54.000 0.256 0.000 0.856 142 D CB 0.139 41.061 40.800 0.204 0.000 0.922 142 D HN 0.264 nan 8.370 nan 0.000 0.518 143 E N 0.464 120.674 120.200 0.017 0.000 2.150 143 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 143 E C -0.772 175.699 176.600 -0.215 0.000 0.985 143 E CA 0.715 57.077 56.400 -0.062 0.000 0.814 143 E CB -0.441 29.271 29.700 0.020 0.000 0.752 143 E HN 0.250 nan 8.360 nan 0.000 0.466 144 P HA -0.131 nan 4.420 nan 0.000 0.222 144 P C -0.471 176.370 177.300 -0.765 0.000 1.147 144 P CA 1.125 63.829 63.100 -0.660 0.000 0.790 144 P CB 0.019 31.127 31.700 -0.986 0.000 0.780 145 Y N -1.759 118.394 120.300 -0.245 0.000 2.335 145 Y HA 0.443 4.993 4.550 -0.000 0.000 0.323 145 Y C 1.960 177.619 175.900 -0.402 0.000 1.224 145 Y CA -0.880 57.030 58.100 -0.317 0.000 1.241 145 Y CB 0.279 38.534 38.460 -0.343 0.000 1.235 145 Y HN -0.216 nan 8.280 nan 0.000 0.492 146 A N 2.011 124.787 122.820 -0.074 0.000 1.917 146 A HA -0.283 4.037 4.320 -0.000 0.000 0.219 146 A C 1.780 179.327 177.584 -0.061 0.000 1.182 146 A CA 2.237 54.248 52.037 -0.042 0.000 0.633 146 A CB -1.445 17.578 19.000 0.037 0.000 0.819 146 A HN 0.959 nan 8.150 nan 0.000 0.448 147 Y N -1.671 118.639 120.300 0.017 0.000 2.574 147 Y HA 0.185 4.735 4.550 -0.000 0.000 0.294 147 Y C 1.869 177.702 175.900 -0.112 0.000 1.142 147 Y CA 0.944 59.019 58.100 -0.042 0.000 1.314 147 Y CB -0.606 37.807 38.460 -0.078 0.000 0.991 147 Y HN 0.184 nan 8.280 nan 0.000 0.555 148 S N 0.383 115.798 115.700 -0.475 0.000 2.575 148 S HA 0.566 5.036 4.470 -0.000 0.000 0.237 148 S C 0.793 175.370 174.600 -0.039 0.000 0.975 148 S CA -0.205 57.795 58.200 -0.333 0.000 0.960 148 S CB -1.016 61.931 63.200 -0.422 0.000 0.822 148 S HN 0.610 nan 8.310 nan 0.000 0.472 149 A N 1.509 124.333 122.820 0.007 0.000 2.561 149 A HA 0.210 4.530 4.320 -0.000 0.000 0.234 149 A C 0.395 178.112 177.584 0.222 0.000 1.055 149 A CA 0.230 52.324 52.037 0.095 0.000 0.756 149 A CB 0.049 19.105 19.000 0.093 0.000 0.986 149 A HN 0.702 nan 8.150 nan 0.000 0.505 150 Q N 0.420 120.337 119.800 0.195 0.000 2.364 150 Q HA 0.210 4.550 4.340 -0.000 0.000 0.267 150 Q C -0.375 175.761 176.000 0.226 0.000 0.999 150 Q CA -0.037 55.903 55.803 0.229 0.000 0.886 150 Q CB 0.598 29.434 28.738 0.164 0.000 1.243 150 Q HN 0.561 nan 8.270 nan 0.000 0.415 151 I N 1.693 122.409 120.570 0.243 0.000 2.325 151 I HA 0.223 4.393 4.170 -0.000 0.000 0.291 151 I C 0.130 176.334 176.117 0.145 0.000 1.019 151 I CA 0.225 61.636 61.300 0.185 0.000 1.302 151 I CB 0.671 38.729 38.000 0.097 0.000 1.401 151 I HN 0.437 nan 8.210 nan 0.000 0.485 152 S N 3.795 119.596 115.700 0.168 0.000 2.546 152 S HA 0.672 5.142 4.470 -0.000 0.000 0.274 152 S C 0.713 175.348 174.600 0.057 0.000 1.121 152 S CA -0.076 58.203 58.200 0.132 0.000 0.887 152 S CB 1.919 65.160 63.200 0.068 0.000 1.094 152 S HN 0.685 nan 8.310 nan 0.000 0.474 153 A N 3.194 125.916 122.820 -0.163 0.000 2.067 153 A HA 0.249 4.569 4.320 -0.000 0.000 0.219 153 A C 0.731 178.117 177.584 -0.330 0.000 1.158 153 A CA 0.737 52.372 52.037 -0.670 0.000 0.661 153 A CB -0.264 18.298 19.000 -0.729 0.000 0.801 153 A HN 0.703 nan 8.150 nan 0.000 0.452 154 L N 0.506 121.635 121.223 -0.157 0.000 2.318 154 L HA 0.488 4.828 4.340 -0.000 0.000 0.277 154 L C -0.981 175.854 176.870 -0.058 0.000 1.008 154 L CA -0.045 54.728 54.840 -0.112 0.000 0.846 154 L CB 1.548 43.556 42.059 -0.085 0.000 1.220 154 L HN 0.148 nan 8.230 nan 0.000 0.423 155 T N 3.270 117.794 114.554 -0.051 0.000 2.993 155 T HA 0.428 4.778 4.350 -0.000 0.000 0.312 155 T C -1.099 173.607 174.700 0.009 0.000 1.115 155 T CA -0.278 61.820 62.100 -0.003 0.000 1.027 155 T CB 1.722 70.611 68.868 0.035 0.000 1.116 155 T HN 0.156 nan 8.240 nan 0.000 0.464 156 V N 4.333 124.264 119.914 0.029 0.000 2.406 156 V HA 0.690 4.810 4.120 -0.000 0.000 0.272 156 V C 0.818 176.985 176.094 0.121 0.000 1.043 156 V CA -0.660 61.674 62.300 0.056 0.000 0.915 156 V CB 0.813 32.661 31.823 0.042 0.000 0.988 156 V HN 1.079 nan 8.190 nan 0.000 0.466 157 A N 4.015 126.939 122.820 0.174 0.000 2.327 157 A HA 0.568 4.888 4.320 -0.000 0.000 0.283 157 A C -0.377 177.369 177.584 0.269 0.000 1.127 157 A CA -0.268 51.938 52.037 0.282 0.000 0.810 157 A CB 0.091 19.355 19.000 0.440 0.000 1.066 157 A HN 1.021 nan 8.150 nan 0.000 0.492 158 H N 0.928 120.080 119.070 0.136 0.000 2.457 158 H HA 0.545 5.101 4.556 -0.000 0.000 0.335 158 H C 0.715 176.025 175.328 -0.029 0.000 1.115 158 H CA 0.895 56.974 56.048 0.051 0.000 1.219 158 H CB 1.047 30.827 29.762 0.031 0.000 1.471 158 H HN 1.558 nan 8.280 nan 0.000 0.491 159 G N 3.416 111.809 108.800 -0.679 0.000 2.804 159 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.230 159 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.230 159 G C 0.749 175.331 174.900 -0.530 0.000 1.386 159 G CA 0.296 45.085 45.100 -0.519 0.000 0.875 159 G HN 0.873 nan 8.290 nan 0.000 0.557 160 E N -0.416 119.529 120.200 -0.424 0.000 2.347 160 E HA 0.014 4.364 4.350 -0.000 0.000 0.196 160 E C 2.255 178.645 176.600 -0.350 0.000 1.008 160 E CA 0.996 57.100 56.400 -0.492 0.000 0.852 160 E CB 0.028 29.627 29.700 -0.169 0.000 0.783 160 E HN 0.551 nan 8.360 nan 0.000 0.505 161 R N -0.196 120.179 120.500 -0.208 0.000 2.200 161 R HA 0.086 4.426 4.340 -0.000 0.000 0.208 161 R C -0.124 176.261 176.300 0.142 0.000 1.033 161 R CA 0.514 56.566 56.100 -0.080 0.000 1.000 161 R CB -0.229 29.879 30.300 -0.321 0.000 0.906 161 R HN 0.140 nan 8.270 nan 0.000 0.462 162 F N 1.090 121.142 119.950 0.168 0.000 3.028 162 F HA -0.196 4.331 4.527 -0.000 0.000 0.306 162 F C -0.802 175.103 175.800 0.175 0.000 0.896 162 F CA -0.112 58.019 58.000 0.218 0.000 1.184 162 F CB -1.504 37.708 39.000 0.354 0.000 1.213 162 F HN 0.040 nan 8.300 nan 0.000 0.629 163 D N 1.764 122.298 120.400 0.223 0.000 2.363 163 D HA 0.140 4.780 4.640 -0.000 0.000 0.263 163 D C 0.881 177.295 176.300 0.190 0.000 1.258 163 D CA 0.629 54.718 54.000 0.148 0.000 0.907 163 D CB 0.916 41.773 40.800 0.095 0.000 1.107 163 D HN 0.320 nan 8.370 nan 0.000 0.495 164 T N -1.451 113.213 114.554 0.184 0.000 2.904 164 T HA 0.452 4.802 4.350 -0.000 0.000 0.290 164 T C 1.291 176.066 174.700 0.125 0.000 1.018 164 T CA -0.216 61.990 62.100 0.177 0.000 1.075 164 T CB 1.599 70.585 68.868 0.197 0.000 0.986 164 T HN 0.531 nan 8.240 nan 0.000 0.523 165 G N 0.693 109.556 108.800 0.105 0.000 2.203 165 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.263 165 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.263 165 G C 0.127 175.064 174.900 0.061 0.000 1.012 165 G CA 0.353 45.502 45.100 0.081 0.000 0.749 165 G HN 1.791 nan 8.290 nan 0.000 0.512 166 V N -3.910 116.036 119.914 0.053 0.000 3.166 166 V HA 0.995 5.115 4.120 -0.000 0.000 0.317 166 V C 0.152 176.248 176.094 0.003 0.000 1.136 166 V CA -0.137 62.170 62.300 0.012 0.000 1.035 166 V CB 2.036 33.846 31.823 -0.021 0.000 1.110 166 V HN 0.742 nan 8.190 nan 0.000 0.450 167 T N 0.298 114.831 114.554 -0.035 0.000 2.900 167 T HA 0.404 4.754 4.350 -0.000 0.000 0.295 167 T C -0.954 173.668 174.700 -0.130 0.000 1.044 167 T CA -0.411 61.663 62.100 -0.043 0.000 0.995 167 T CB 1.674 70.552 68.868 0.017 0.000 1.072 167 T HN 1.067 nan 8.240 nan 0.000 0.473 168 E N 3.111 123.206 120.200 -0.175 0.000 2.130 168 E HA 0.467 4.817 4.350 -0.000 0.000 0.284 168 E C -0.912 175.649 176.600 -0.066 0.000 1.018 168 E CA -0.564 55.722 56.400 -0.189 0.000 0.817 168 E CB 0.781 30.331 29.700 -0.251 0.000 1.078 168 E HN 0.387 nan 8.360 nan 0.000 0.396 169 V N 4.413 124.296 119.914 -0.051 0.000 2.406 169 V HA 0.190 4.310 4.120 -0.000 0.000 0.272 169 V C 0.043 176.130 176.094 -0.011 0.000 1.043 169 V CA -0.427 61.861 62.300 -0.021 0.000 0.915 169 V CB 1.183 32.995 31.823 -0.018 0.000 0.988 169 V HN 0.708 nan 8.190 nan 0.000 0.466 170 S N 4.735 120.435 115.700 0.000 0.000 2.478 170 S HA 0.738 5.208 4.470 -0.000 0.000 0.312 170 S C -0.919 173.686 174.600 0.007 0.000 1.094 170 S CA -0.693 57.510 58.200 0.005 0.000 1.081 170 S CB 1.627 64.834 63.200 0.012 0.000 1.007 170 S HN 0.365 nan 8.310 nan 0.000 0.475 171 V N 3.679 123.598 119.914 0.007 0.000 2.370 171 V HA 0.513 4.632 4.120 -0.000 0.000 0.283 171 V C -0.061 176.038 176.094 0.008 0.000 1.023 171 V CA -0.471 61.833 62.300 0.007 0.000 0.857 171 V CB 1.351 33.178 31.823 0.008 0.000 0.985 171 V HN 1.022 nan 8.190 nan 0.000 0.443 172 T N 7.531 122.089 114.554 0.008 0.000 2.770 172 T HA 0.448 4.798 4.350 -0.000 0.000 0.283 172 T C -2.613 172.091 174.700 0.006 0.000 0.988 172 T CA -1.314 60.790 62.100 0.007 0.000 0.957 172 T CB 1.817 70.689 68.868 0.008 0.000 0.930 172 T HN 0.467 nan 8.240 nan 0.000 0.443 173 P HA 0.372 nan 4.420 nan 0.000 0.275 173 P C -0.076 177.227 177.300 0.005 0.000 1.228 173 P CA -0.334 62.769 63.100 0.006 0.000 0.786 173 P CB 0.910 32.613 31.700 0.006 0.000 0.927 174 A N 2.977 125.800 122.820 0.004 0.000 3.975 174 A HA 0.661 4.981 4.320 -0.000 0.000 0.169 174 A C 0.516 178.102 177.584 0.004 0.000 1.707 174 A CA 0.450 52.489 52.037 0.004 0.000 1.474 174 A CB -0.803 18.199 19.000 0.004 0.000 1.327 174 A HN 0.638 nan 8.150 nan 0.000 0.500 175 A N -1.016 121.806 122.820 0.003 0.000 2.350 175 A HA 0.578 4.898 4.320 -0.000 0.000 0.318 175 A C -0.110 177.476 177.584 0.003 0.000 1.132 175 A CA -0.148 51.891 52.037 0.003 0.000 0.811 175 A CB 0.339 19.341 19.000 0.003 0.000 1.313 175 A HN 0.771 nan 8.150 nan 0.000 0.454 176 E N 0.184 120.385 120.200 0.003 0.000 2.708 176 E HA 0.218 4.568 4.350 -0.000 0.000 0.260 176 E C 1.153 177.754 176.600 0.003 0.000 0.937 176 E CA 1.287 57.688 56.400 0.003 0.000 0.953 176 E CB -0.116 29.585 29.700 0.003 0.000 0.915 176 E HN 1.948 nan 8.360 nan 0.000 0.487 177 G N 3.318 112.119 108.800 0.003 0.000 2.179 177 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.260 177 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.260 177 G C -0.018 174.883 174.900 0.002 0.000 0.977 177 G CA 0.518 45.619 45.100 0.002 0.000 0.641 177 G HN 0.622 nan 8.290 nan 0.000 0.533 178 E N 1.175 121.376 120.200 0.002 0.000 2.250 178 E HA 0.471 4.821 4.350 -0.000 0.000 0.269 178 E C -2.474 174.128 176.600 0.003 0.000 1.018 178 E CA -2.109 54.292 56.400 0.002 0.000 0.873 178 E CB 1.358 31.060 29.700 0.002 0.000 1.134 178 E HN 0.138 nan 8.360 nan 0.000 0.403 179 P HA 0.065 nan 4.420 nan 0.000 0.275 179 P C -1.167 176.135 177.300 0.003 0.000 1.227 179 P CA -0.142 62.959 63.100 0.002 0.000 0.781 179 P CB 0.739 32.440 31.700 0.002 0.000 0.906 180 A N 2.254 125.076 122.820 0.003 0.000 2.371 180 A HA 0.263 4.583 4.320 -0.000 0.000 0.257 180 A C 0.075 177.661 177.584 0.004 0.000 1.089 180 A CA -0.185 51.854 52.037 0.004 0.000 0.794 180 A CB -0.325 18.678 19.000 0.005 0.000 1.029 180 A HN 0.562 nan 8.150 nan 0.000 0.488 181 D N 0.441 120.844 120.400 0.005 0.000 2.256 181 D HA 0.445 5.085 4.640 -0.000 0.000 0.250 181 D C -0.863 175.440 176.300 0.006 0.000 1.093 181 D CA 0.093 54.096 54.000 0.005 0.000 0.882 181 D CB 0.960 41.764 40.800 0.006 0.000 1.185 181 D HN 0.182 nan 8.370 nan 0.000 0.437 182 V N 3.662 123.579 119.914 0.005 0.000 2.483 182 V HA 0.276 4.396 4.120 -0.000 0.000 0.297 182 V C -0.593 175.505 176.094 0.007 0.000 1.027 182 V CA -0.864 61.439 62.300 0.005 0.000 0.855 182 V CB 1.697 33.521 31.823 0.002 0.000 0.995 182 V HN 0.641 nan 8.190 nan 0.000 0.424 183 D N 3.113 123.519 120.400 0.010 0.000 2.168 183 D HA 0.460 5.100 4.640 -0.000 0.000 0.246 183 D C 0.463 176.771 176.300 0.014 0.000 1.050 183 D CA -0.482 53.527 54.000 0.015 0.000 0.857 183 D CB 1.847 42.658 40.800 0.018 0.000 1.169 183 D HN 0.240 nan 8.370 nan 0.000 0.453 184 L N 2.656 123.891 121.223 0.020 0.000 2.446 184 L HA 0.350 4.690 4.340 -0.000 0.000 0.219 184 L C 1.638 178.527 176.870 0.031 0.000 1.116 184 L CA 1.230 56.083 54.840 0.021 0.000 0.844 184 L CB -1.237 40.838 42.059 0.027 0.000 0.970 184 L HN 0.854 nan 8.230 nan 0.000 0.457 185 G N -0.288 108.537 108.800 0.042 0.000 2.509 185 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.256 185 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.256 185 G C 1.081 176.029 174.900 0.080 0.000 1.152 185 G CA 0.436 45.569 45.100 0.055 0.000 0.951 185 G HN 0.416 nan 8.290 nan 0.000 0.559 186 A N -0.252 122.623 122.820 0.092 0.000 1.978 186 A HA 0.317 4.637 4.320 -0.000 0.000 0.220 186 A C 2.782 180.459 177.584 0.154 0.000 1.170 186 A CA 3.385 55.491 52.037 0.114 0.000 0.636 186 A CB -0.808 18.257 19.000 0.109 0.000 0.810 186 A HN 2.314 nan 8.150 nan 0.000 0.448 187 A N -0.710 122.189 122.820 0.131 0.000 2.238 187 A HA 0.240 4.560 4.320 -0.000 0.000 0.208 187 A C 0.790 178.454 177.584 0.135 0.000 1.177 187 A CA 0.373 52.511 52.037 0.169 0.000 0.804 187 A CB -0.286 18.813 19.000 0.166 0.000 0.823 187 A HN 0.475 nan 8.150 nan 0.000 0.482 188 E N -0.146 120.126 120.200 0.121 0.000 2.585 188 E HA 0.314 4.664 4.350 -0.000 0.000 0.252 188 E C 1.291 177.969 176.600 0.129 0.000 0.981 188 E CA 1.255 57.714 56.400 0.097 0.000 0.943 188 E CB -0.275 29.480 29.700 0.091 0.000 0.923 188 E HN 0.713 nan 8.360 nan 0.000 0.486 189 G N 3.169 111.995 108.800 0.042 0.000 2.179 189 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.260 189 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.260 189 G C 0.408 175.173 174.900 -0.224 0.000 0.977 189 G CA 0.554 45.654 45.100 -0.000 0.000 0.641 189 G HN 0.627 nan 8.290 nan 0.000 0.533 190 Y N 0.579 120.636 120.300 -0.405 0.000 2.576 190 Y HA 0.706 5.256 4.550 -0.000 0.000 0.282 190 Y C 1.734 177.523 175.900 -0.185 0.000 1.139 190 Y CA 1.400 59.245 58.100 -0.424 0.000 1.265 190 Y CB -0.046 38.122 38.460 -0.487 0.000 1.376 190 Y HN 0.631 nan 8.280 nan 0.000 0.511 191 A N 1.324 124.034 122.820 -0.183 0.000 2.322 191 A HA 0.405 4.725 4.320 -0.000 0.000 0.269 191 A C -0.422 177.078 177.584 -0.139 0.000 1.094 191 A CA -0.482 51.437 52.037 -0.196 0.000 0.807 191 A CB 0.102 19.071 19.000 -0.052 0.000 1.047 191 A HN 0.516 nan 8.150 nan 0.000 0.487 192 E N -0.369 119.752 120.200 -0.131 0.000 2.313 192 E HA 0.423 4.773 4.350 -0.000 0.000 0.272 192 E C -0.963 175.602 176.600 -0.058 0.000 1.038 192 E CA -0.496 55.851 56.400 -0.088 0.000 0.863 192 E CB 1.384 31.032 29.700 -0.087 0.000 1.060 192 E HN 0.444 nan 8.360 nan 0.000 0.402 193 L N 2.202 123.400 121.223 -0.041 0.000 2.307 193 L HA 0.383 4.723 4.340 -0.000 0.000 0.284 193 L C -1.199 175.655 176.870 -0.026 0.000 1.023 193 L CA -0.314 54.509 54.840 -0.028 0.000 0.810 193 L CB 1.492 43.540 42.059 -0.018 0.000 1.231 193 L HN 0.376 nan 8.230 nan 0.000 0.423 194 D N 3.066 123.452 120.400 -0.023 0.000 2.438 194 D HA 0.236 4.876 4.640 -0.000 0.000 0.257 194 D C -1.107 175.186 176.300 -0.013 0.000 1.148 194 D CA -0.158 53.831 54.000 -0.019 0.000 0.902 194 D CB 0.393 41.180 40.800 -0.021 0.000 1.062 194 D HN 0.463 nan 8.370 nan 0.000 0.518 195 N N 2.592 121.286 118.700 -0.010 0.000 2.609 195 N HA 0.176 4.916 4.740 -0.000 0.000 0.234 195 N C 0.150 175.658 175.510 -0.003 0.000 1.001 195 N CA -0.317 52.730 53.050 -0.005 0.000 0.926 195 N CB 0.517 39.002 38.487 -0.004 0.000 1.130 195 N HN 0.196 nan 8.380 nan 0.000 0.510 196 R N 1.375 121.874 120.500 -0.002 0.000 2.393 196 R HA 0.275 4.615 4.340 -0.000 0.000 0.244 196 R C 0.114 176.415 176.300 0.002 0.000 0.920 196 R CA -0.296 55.804 56.100 -0.001 0.000 1.076 196 R CB 0.048 30.348 30.300 -0.000 0.000 1.119 196 R HN 0.431 nan 8.270 nan 0.000 0.524 197 A N 1.828 124.649 122.820 0.002 0.000 2.477 197 A HA 0.353 4.673 4.320 -0.000 0.000 0.246 197 A C 0.783 178.369 177.584 0.004 0.000 1.078 197 A CA -0.340 51.699 52.037 0.004 0.000 0.770 197 A CB 0.367 19.370 19.000 0.005 0.000 1.011 197 A HN 0.100 nan 8.150 nan 0.000 0.494 198 V N 0.249 120.165 119.914 0.004 0.000 3.177 198 V HA 0.844 4.964 4.120 -0.000 0.000 0.319 198 V C 0.115 176.212 176.094 0.005 0.000 1.125 198 V CA -0.648 61.654 62.300 0.004 0.000 1.029 198 V CB 1.510 33.335 31.823 0.004 0.000 1.119 198 V HN 0.739 nan 8.190 nan 0.000 0.452 199 T N 1.603 116.159 114.554 0.004 0.000 2.758 199 T HA 0.683 5.033 4.350 -0.000 0.000 0.285 199 T C 0.342 175.044 174.700 0.004 0.000 0.981 199 T CA 0.289 62.391 62.100 0.004 0.000 0.965 199 T CB 0.971 69.841 68.868 0.004 0.000 0.927 199 T HN 1.267 nan 8.240 nan 0.000 0.448 200 G N 1.463 110.266 108.800 0.004 0.000 2.557 200 G HA2 0.613 4.573 3.960 -0.000 0.000 0.292 200 G HA3 0.613 4.573 3.960 -0.000 0.000 0.292 200 G C 0.129 175.031 174.900 0.004 0.000 1.237 200 G CA -0.790 44.312 45.100 0.004 0.000 0.978 200 G HN 0.976 nan 8.290 nan 0.000 0.498 201 A N -0.633 122.189 122.820 0.003 0.000 2.492 201 A HA 0.538 4.858 4.320 -0.000 0.000 0.236 201 A C 1.113 178.699 177.584 0.003 0.000 1.078 201 A CA 0.455 52.494 52.037 0.003 0.000 0.773 201 A CB -0.288 18.714 19.000 0.003 0.000 1.023 201 A HN 1.951 nan 8.150 nan 0.000 0.504 202 A N 0.430 123.252 122.820 0.003 0.000 2.546 202 A HA 0.474 4.794 4.320 -0.000 0.000 0.243 202 A C 1.636 179.221 177.584 0.003 0.000 1.063 202 A CA 0.771 52.810 52.037 0.003 0.000 0.757 202 A CB -0.968 18.034 19.000 0.003 0.000 0.991 202 A HN 2.780 nan 8.150 nan 0.000 0.503 203 G N 1.898 110.700 108.800 0.003 0.000 2.155 203 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.257 203 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.257 203 G C 0.594 175.495 174.900 0.003 0.000 0.983 203 G CA 1.010 46.112 45.100 0.003 0.000 0.676 203 G HN 2.093 nan 8.290 nan 0.000 0.528 204 S N -0.316 115.386 115.700 0.003 0.000 2.634 204 S HA 0.737 5.207 4.470 -0.000 0.000 0.261 204 S C 0.828 175.430 174.600 0.004 0.000 1.271 204 S CA 0.264 58.466 58.200 0.004 0.000 0.985 204 S CB 1.654 64.857 63.200 0.004 0.000 0.968 204 S HN 1.903 nan 8.310 nan 0.000 0.568 205 A N 1.672 124.495 122.820 0.004 0.000 2.488 205 A HA 0.251 4.571 4.320 -0.000 0.000 0.249 205 A C 0.528 178.115 177.584 0.006 0.000 1.083 205 A CA -0.449 51.591 52.037 0.005 0.000 0.768 205 A CB -0.541 18.462 19.000 0.005 0.000 1.017 205 A HN 0.787 nan 8.150 nan 0.000 0.496 206 N N 2.114 120.818 118.700 0.006 0.000 2.411 206 N HA 0.135 4.875 4.740 -0.000 0.000 0.259 206 N C 0.399 175.914 175.510 0.009 0.000 1.103 206 N CA 0.736 53.791 53.050 0.007 0.000 0.954 206 N CB 0.699 39.190 38.487 0.007 0.000 1.085 206 N HN 0.658 nan 8.380 nan 0.000 0.485 207 T N 1.227 115.787 114.554 0.010 0.000 3.339 207 T HA 0.179 4.529 4.350 -0.000 0.000 0.292 207 T C 0.341 175.050 174.700 0.015 0.000 1.012 207 T CA -0.565 61.543 62.100 0.012 0.000 0.937 207 T CB -0.305 68.569 68.868 0.010 0.000 1.164 207 T HN 0.227 nan 8.240 nan 0.000 0.509 208 L N 2.448 123.680 121.223 0.016 0.000 2.367 208 L HA 0.603 4.943 4.340 -0.000 0.000 0.275 208 L C -0.683 176.204 176.870 0.028 0.000 1.129 208 L CA -0.023 54.828 54.840 0.019 0.000 0.839 208 L CB 0.885 42.955 42.059 0.017 0.000 1.133 208 L HN 0.198 nan 8.230 nan 0.000 0.453 209 V N 6.710 126.642 119.914 0.030 0.000 2.638 209 V HA 0.467 4.587 4.120 -0.000 0.000 0.306 209 V C -0.278 175.840 176.094 0.040 0.000 1.052 209 V CA -0.493 61.834 62.300 0.045 0.000 0.885 209 V CB 1.819 33.670 31.823 0.045 0.000 0.999 209 V HN 0.564 nan 8.190 nan 0.000 0.424 210 I N 3.938 124.540 120.570 0.054 0.000 2.382 210 I HA 0.517 4.687 4.170 -0.000 0.000 0.286 210 I C -0.712 175.415 176.117 0.017 0.000 1.002 210 I CA -0.099 61.218 61.300 0.029 0.000 1.135 210 I CB 1.701 39.716 38.000 0.024 0.000 1.288 210 I HN 0.534 nan 8.210 nan 0.000 0.448 211 D N 4.786 125.175 120.400 -0.019 0.000 2.423 211 D HA 0.468 5.108 4.640 -0.000 0.000 0.235 211 D C -0.847 175.395 176.300 -0.097 0.000 1.011 211 D CA -0.756 53.208 54.000 -0.060 0.000 0.963 211 D CB 2.105 42.895 40.800 -0.018 0.000 1.349 211 D HN 0.369 nan 8.370 nan 0.000 0.508 212 R N 1.876 122.293 120.500 -0.138 0.000 2.412 212 R HA 0.439 4.779 4.340 -0.000 0.000 0.304 212 R C -2.564 173.688 176.300 -0.080 0.000 1.066 212 R CA -1.662 54.375 56.100 -0.106 0.000 0.923 212 R CB 1.289 31.515 30.300 -0.123 0.000 1.156 212 R HN 0.202 nan 8.270 nan 0.000 0.513 213 P HA -0.075 nan 4.420 nan 0.000 0.265 213 P C -0.272 177.014 177.300 -0.024 0.000 1.193 213 P CA -0.232 62.851 63.100 -0.028 0.000 0.765 213 P CB 0.534 32.221 31.700 -0.021 0.000 0.823 214 V N 0.802 120.711 119.914 -0.009 0.000 2.790 214 V HA 0.132 4.252 4.120 -0.000 0.000 0.304 214 V C 1.629 177.723 176.094 0.001 0.000 1.142 214 V CA 0.430 62.732 62.300 0.003 0.000 1.282 214 V CB -1.388 30.446 31.823 0.018 0.000 0.877 214 V HN 1.017 nan 8.190 nan 0.000 0.504 215 G N 2.402 111.206 108.800 0.006 0.000 2.187 215 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.261 215 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.261 215 G C 0.298 175.193 174.900 -0.008 0.000 1.000 215 G CA 0.862 45.966 45.100 0.006 0.000 0.718 215 G HN 2.017 nan 8.290 nan 0.000 0.519 216 T N -3.201 111.342 114.554 -0.019 0.000 2.924 216 T HA 0.626 4.976 4.350 -0.000 0.000 0.291 216 T C 0.031 174.702 174.700 -0.048 0.000 1.045 216 T CA -0.430 61.648 62.100 -0.035 0.000 1.015 216 T CB 2.060 70.905 68.868 -0.038 0.000 1.103 216 T HN 0.059 nan 8.240 nan 0.000 0.496 217 N N 0.948 119.602 118.700 -0.076 0.000 2.671 217 N HA 0.302 5.042 4.740 -0.000 0.000 0.303 217 N C -1.064 174.378 175.510 -0.113 0.000 1.351 217 N CA -0.281 52.706 53.050 -0.105 0.000 0.991 217 N CB 0.077 38.450 38.487 -0.189 0.000 1.307 217 N HN 0.689 nan 8.380 nan 0.000 0.512 218 T N 1.166 115.673 114.554 -0.079 0.000 2.812 218 T HA 0.383 4.733 4.350 -0.000 0.000 0.282 218 T C -0.079 174.587 174.700 -0.056 0.000 0.990 218 T CA -0.537 61.522 62.100 -0.069 0.000 0.960 218 T CB 1.077 69.910 68.868 -0.058 0.000 0.948 218 T HN -0.016 nan 8.240 nan 0.000 0.438 219 I N 3.338 123.879 120.570 -0.049 0.000 2.308 219 I HA 0.388 4.558 4.170 -0.000 0.000 0.293 219 I C 0.663 176.760 176.117 -0.033 0.000 1.078 219 I CA -0.711 60.563 61.300 -0.043 0.000 1.292 219 I CB -0.098 37.881 38.000 -0.035 0.000 1.423 219 I HN 0.656 nan 8.210 nan 0.000 0.493 220 A N 7.592 130.393 122.820 -0.032 0.000 2.252 220 A HA 0.613 4.933 4.320 -0.000 0.000 0.309 220 A C -0.206 177.371 177.584 -0.011 0.000 1.285 220 A CA -0.456 51.568 52.037 -0.021 0.000 0.900 220 A CB 0.554 19.542 19.000 -0.019 0.000 1.157 220 A HN 0.443 nan 8.150 nan 0.000 0.536 221 V N 3.546 123.456 119.914 -0.007 0.000 2.370 221 V HA 0.626 4.746 4.120 -0.000 0.000 0.283 221 V C 0.642 176.738 176.094 0.004 0.000 1.023 221 V CA 0.029 62.329 62.300 0.001 0.000 0.857 221 V CB 0.990 32.814 31.823 0.001 0.000 0.985 221 V HN 1.069 nan 8.190 nan 0.000 0.443 222 T N 1.199 115.759 114.554 0.009 0.000 2.883 222 T HA 0.950 5.300 4.350 -0.000 0.000 0.284 222 T C 0.283 174.990 174.700 0.012 0.000 1.041 222 T CA -0.039 62.066 62.100 0.009 0.000 1.007 222 T CB 1.768 70.642 68.868 0.010 0.000 1.220 222 T HN 1.895 nan 8.240 nan 0.000 0.552 223 G N 0.230 109.036 108.800 0.010 0.000 2.615 223 G HA2 0.197 4.157 3.960 -0.000 0.000 0.218 223 G HA3 0.197 4.157 3.960 -0.000 0.000 0.218 223 G C -0.289 174.617 174.900 0.009 0.000 1.339 223 G CA -0.124 44.983 45.100 0.011 0.000 0.884 223 G HN 1.634 nan 8.290 nan 0.000 0.559 224 S N -1.226 114.480 115.700 0.009 0.000 2.557 224 S HA 0.671 5.141 4.470 -0.000 0.000 0.291 224 S C -1.044 173.561 174.600 0.008 0.000 1.116 224 S CA -0.350 57.855 58.200 0.008 0.000 0.992 224 S CB 1.396 64.600 63.200 0.006 0.000 1.028 224 S HN 1.577 nan 8.310 nan 0.000 0.484 225 L N 6.675 127.902 121.223 0.007 0.000 2.333 225 L HA 0.693 5.033 4.340 -0.000 0.000 0.280 225 L C -2.390 174.483 176.870 0.006 0.000 1.004 225 L CA -1.865 52.979 54.840 0.007 0.000 0.820 225 L CB 1.861 43.925 42.059 0.008 0.000 1.247 225 L HN 0.426 nan 8.230 nan 0.000 0.416 226 P HA 0.075 nan 4.420 nan 0.000 0.271 226 P C 0.168 177.471 177.300 0.005 0.000 1.216 226 P CA -0.088 63.015 63.100 0.005 0.000 0.776 226 P CB 1.007 32.710 31.700 0.005 0.000 0.881 227 A N 3.818 126.640 122.820 0.004 0.000 1.997 227 A HA -0.230 4.090 4.320 -0.000 0.000 0.221 227 A C 1.454 179.041 177.584 0.004 0.000 1.172 227 A CA 2.331 54.371 52.037 0.004 0.000 0.645 227 A CB -1.137 17.865 19.000 0.004 0.000 0.813 227 A HN 0.657 nan 8.150 nan 0.000 0.454 228 D N -0.751 119.651 120.400 0.004 0.000 2.349 228 D HA 0.399 5.039 4.640 -0.000 0.000 0.214 228 D C 0.635 176.937 176.300 0.005 0.000 1.063 228 D CA 0.406 54.408 54.000 0.004 0.000 0.847 228 D CB -0.683 40.119 40.800 0.004 0.000 0.933 228 D HN 0.410 nan 8.370 nan 0.000 0.513 229 A N 0.616 123.439 122.820 0.005 0.000 2.483 229 A HA 0.485 4.805 4.320 -0.000 0.000 0.238 229 A C 0.710 178.297 177.584 0.006 0.000 1.070 229 A CA 0.060 52.100 52.037 0.006 0.000 0.770 229 A CB 0.103 19.106 19.000 0.006 0.000 1.008 229 A HN 0.392 nan 8.150 nan 0.000 0.497 230 A N 3.584 126.407 122.820 0.006 0.000 2.440 230 A HA 0.540 4.860 4.320 -0.000 0.000 0.251 230 A C -2.069 175.519 177.584 0.007 0.000 1.089 230 A CA -1.170 50.871 52.037 0.007 0.000 0.779 230 A CB -0.726 18.278 19.000 0.007 0.000 1.022 230 A HN 0.680 nan 8.150 nan 0.000 0.492 231 P HA 0.103 nan 4.420 nan 0.000 0.260 231 P C -0.591 176.714 177.300 0.009 0.000 1.172 231 P CA 0.209 63.315 63.100 0.009 0.000 0.760 231 P CB 0.261 31.967 31.700 0.009 0.000 0.773 232 V N 4.265 124.185 119.914 0.009 0.000 2.461 232 V HA 0.267 4.387 4.120 -0.000 0.000 0.275 232 V C 0.687 176.786 176.094 0.008 0.000 1.047 232 V CA -0.069 62.237 62.300 0.009 0.000 0.955 232 V CB 0.970 32.800 31.823 0.011 0.000 0.988 232 V HN 0.654 nan 8.190 nan 0.000 0.471 233 T N 2.289 116.847 114.554 0.007 0.000 2.797 233 T HA 0.850 5.200 4.350 -0.000 0.000 0.279 233 T C -0.397 174.302 174.700 -0.003 0.000 0.991 233 T CA -0.558 61.542 62.100 0.001 0.000 0.979 233 T CB 1.770 70.641 68.868 0.005 0.000 0.943 233 T HN 1.011 nan 8.240 nan 0.000 0.444 234 A N 3.640 126.453 122.820 -0.012 0.000 2.455 234 A HA 0.692 5.012 4.320 -0.000 0.000 0.300 234 A C -0.605 176.956 177.584 -0.038 0.000 1.040 234 A CA -0.988 51.046 52.037 -0.005 0.000 0.697 234 A CB 1.176 20.191 19.000 0.025 0.000 1.265 234 A HN 0.922 nan 8.150 nan 0.000 0.407 235 L N 3.101 124.298 121.223 -0.042 0.000 2.319 235 L HA 0.476 4.816 4.340 -0.000 0.000 0.280 235 L C 0.214 177.056 176.870 -0.047 0.000 1.099 235 L CA -0.337 54.455 54.840 -0.081 0.000 0.828 235 L CB 0.454 42.464 42.059 -0.081 0.000 1.150 235 L HN 0.608 nan 8.230 nan 0.000 0.442 236 R N 1.200 121.656 120.500 -0.073 0.000 2.750 236 R HA 0.459 4.799 4.340 -0.000 0.000 0.281 236 R C -0.339 175.915 176.300 -0.078 0.000 0.972 236 R CA -0.717 55.327 56.100 -0.094 0.000 0.912 236 R CB 2.134 32.377 30.300 -0.094 0.000 1.187 236 R HN 0.667 nan 8.270 nan 0.000 0.464 237 T N -1.697 112.796 114.554 -0.101 0.000 2.882 237 T HA 0.492 4.842 4.350 -0.000 0.000 0.287 237 T C 0.671 175.362 174.700 -0.014 0.000 1.014 237 T CA -0.659 61.411 62.100 -0.049 0.000 1.049 237 T CB 0.993 69.824 68.868 -0.062 0.000 1.001 237 T HN 0.352 nan 8.240 nan 0.000 0.525 238 V N -1.131 118.809 119.914 0.044 0.000 2.815 238 V HA 0.631 4.751 4.120 -0.000 0.000 0.314 238 V C -0.401 175.762 176.094 0.115 0.000 1.064 238 V CA -1.305 61.055 62.300 0.100 0.000 0.952 238 V CB 1.527 33.480 31.823 0.215 0.000 1.020 238 V HN 0.952 nan 8.190 nan 0.000 0.439 239 D N 1.921 122.390 120.400 0.115 0.000 2.382 239 D HA 0.246 4.885 4.640 -0.000 0.000 0.245 239 D C 0.080 176.501 176.300 0.201 0.000 1.120 239 D CA 0.765 54.833 54.000 0.113 0.000 0.890 239 D CB 0.381 41.212 40.800 0.053 0.000 1.201 239 D HN 0.805 nan 8.370 nan 0.000 0.433 240 E N 2.102 122.397 120.200 0.157 0.000 2.414 240 E HA -0.145 4.205 4.350 -0.000 0.000 0.173 240 E C -1.898 174.776 176.600 0.122 0.000 1.551 240 E CA 0.067 56.561 56.400 0.157 0.000 0.661 240 E CB -0.977 28.837 29.700 0.189 0.000 1.108 240 E HN 0.504 nan 8.360 nan 0.000 0.365 241 P HA -0.256 nan 4.420 nan 0.000 0.216 241 P C 1.405 178.688 177.300 -0.027 0.000 1.154 241 P CA 2.463 65.578 63.100 0.025 0.000 0.865 241 P CB 0.107 31.837 31.700 0.051 0.000 0.789 242 A N -0.252 122.571 122.820 0.004 0.000 1.940 242 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 242 A C 2.324 179.892 177.584 -0.028 0.000 1.176 242 A CA 2.259 54.290 52.037 -0.010 0.000 0.631 242 A CB -1.576 17.435 19.000 0.018 0.000 0.814 242 A HN 0.228 nan 8.150 nan 0.000 0.446 243 A N -0.871 121.942 122.820 -0.011 0.000 1.968 243 A HA 0.073 4.393 4.320 -0.000 0.000 0.217 243 A C 2.062 179.412 177.584 -0.389 0.000 1.169 243 A CA 1.525 53.550 52.037 -0.020 0.000 0.638 243 A CB -0.472 18.655 19.000 0.213 0.000 0.812 243 A HN 0.617 nan 8.150 nan 0.000 0.446 244 L N -0.152 120.673 121.223 -0.664 0.000 2.056 244 L HA -0.032 4.308 4.340 -0.000 0.000 0.207 244 L C 2.640 179.354 176.870 -0.259 0.000 1.078 244 L CA 2.069 56.428 54.840 -0.802 0.000 0.749 244 L CB -0.874 40.858 42.059 -0.546 0.000 0.901 244 L HN 0.332 nan 8.230 nan 0.000 0.433 245 A N -0.481 122.254 122.820 -0.142 0.000 1.883 245 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 245 A C 2.345 179.931 177.584 0.004 0.000 1.186 245 A CA 1.677 53.681 52.037 -0.054 0.000 0.624 245 A CB -1.625 17.339 19.000 -0.059 0.000 0.822 245 A HN 0.521 nan 8.150 nan 0.000 0.444 246 G N -1.549 107.256 108.800 0.008 0.000 2.432 246 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 246 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 246 G C 1.450 176.408 174.900 0.097 0.000 1.135 246 G CA 1.455 46.603 45.100 0.080 0.000 0.767 246 G HN 0.773 nan 8.290 nan 0.000 0.550 247 H N 0.623 119.661 119.070 -0.052 0.000 2.299 247 H HA 0.094 4.650 4.556 -0.000 0.000 0.302 247 H C 2.433 177.759 175.328 -0.003 0.000 1.078 247 H CA 1.396 57.423 56.048 -0.034 0.000 1.323 247 H CB -0.336 29.370 29.762 -0.094 0.000 1.381 247 H HN 0.250 nan 8.280 nan 0.000 0.498 248 L N -0.955 120.180 121.223 -0.147 0.000 2.201 248 L HA -0.100 4.240 4.340 -0.000 0.000 0.212 248 L C 1.984 178.831 176.870 -0.038 0.000 1.105 248 L CA 0.769 55.522 54.840 -0.145 0.000 0.775 248 L CB -0.376 41.670 42.059 -0.020 0.000 0.913 248 L HN 0.266 nan 8.230 nan 0.000 0.440 249 F N 0.591 120.468 119.950 -0.122 0.000 2.367 249 F HA -0.094 4.433 4.527 -0.000 0.000 0.298 249 F C 2.457 178.204 175.800 -0.089 0.000 1.094 249 F CA 1.047 58.996 58.000 -0.086 0.000 1.409 249 F CB -0.064 38.901 39.000 -0.057 0.000 1.064 249 F HN 0.050 nan 8.300 nan 0.000 0.528 250 E N 0.275 120.384 120.200 -0.152 0.000 2.152 250 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 250 E C 1.782 178.240 176.600 -0.237 0.000 0.983 250 E CA 1.153 57.423 56.400 -0.216 0.000 0.818 250 E CB 0.016 29.648 29.700 -0.112 0.000 0.758 250 E HN 0.588 nan 8.360 nan 0.000 0.467 251 E N 0.018 120.074 120.200 -0.241 0.000 2.076 251 E HA -0.070 4.280 4.350 -0.000 0.000 0.190 251 E C 2.023 178.518 176.600 -0.175 0.000 0.979 251 E CA 0.688 56.965 56.400 -0.203 0.000 0.807 251 E CB -0.023 29.539 29.700 -0.231 0.000 0.761 251 E HN 0.216 nan 8.360 nan 0.000 0.454 252 A N 1.401 124.110 122.820 -0.184 0.000 1.902 252 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 252 A C 2.190 179.627 177.584 -0.245 0.000 1.181 252 A CA 0.951 52.890 52.037 -0.163 0.000 0.623 252 A CB -0.617 18.335 19.000 -0.080 0.000 0.818 252 A HN 0.125 nan 8.150 nan 0.000 0.443 253 L N -1.060 119.907 121.223 -0.427 0.000 2.046 253 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 253 L C 2.682 179.417 176.870 -0.225 0.000 1.077 253 L CA 1.811 56.406 54.840 -0.408 0.000 0.747 253 L CB -0.395 41.332 42.059 -0.553 0.000 0.896 253 L HN 0.435 nan 8.230 nan 0.000 0.432 254 E N -0.232 119.854 120.200 -0.191 0.000 2.077 254 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 254 E C 2.282 178.824 176.600 -0.097 0.000 0.989 254 E CA 1.380 57.706 56.400 -0.124 0.000 0.800 254 E CB -0.023 29.613 29.700 -0.107 0.000 0.746 254 E HN 0.172 nan 8.360 nan 0.000 0.452 255 S N 0.184 115.824 115.700 -0.100 0.000 2.419 255 S HA -0.055 4.415 4.470 -0.000 0.000 0.233 255 S C 1.061 175.623 174.600 -0.064 0.000 1.016 255 S CA 0.844 59.001 58.200 -0.072 0.000 0.974 255 S CB -0.235 62.925 63.200 -0.066 0.000 0.786 255 S HN 0.331 nan 8.310 nan 0.000 0.492 256 N N 0.508 119.160 118.700 -0.080 0.000 2.295 256 N HA 0.159 4.899 4.740 -0.000 0.000 0.221 256 N C 0.757 176.232 175.510 -0.058 0.000 1.129 256 N CA 0.501 53.513 53.050 -0.063 0.000 0.836 256 N CB 0.740 39.189 38.487 -0.064 0.000 1.040 256 N HN 0.438 nan 8.380 nan 0.000 0.494 257 G N 0.662 109.427 108.800 -0.060 0.000 2.198 257 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.257 257 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.257 257 G C -0.172 174.695 174.900 -0.054 0.000 1.042 257 G CA 0.003 45.073 45.100 -0.049 0.000 0.791 257 G HN 0.184 nan 8.290 nan 0.000 0.502 258 V N 0.715 120.583 119.914 -0.077 0.000 2.357 258 V HA 0.566 4.686 4.120 -0.000 0.000 0.284 258 V C 0.555 176.598 176.094 -0.084 0.000 1.018 258 V CA -0.405 61.847 62.300 -0.080 0.000 0.841 258 V CB 1.653 33.412 31.823 -0.107 0.000 0.991 258 V HN 0.291 nan 8.190 nan 0.000 0.437 259 T N 4.686 119.204 114.554 -0.060 0.000 2.743 259 T HA 0.399 4.749 4.350 -0.000 0.000 0.293 259 T C 0.023 174.691 174.700 -0.052 0.000 0.945 259 T CA -0.211 61.857 62.100 -0.054 0.000 1.030 259 T CB 1.204 70.050 68.868 -0.037 0.000 0.912 259 T HN 0.392 nan 8.240 nan 0.000 0.483 260 V N 5.645 125.523 119.914 -0.061 0.000 2.334 260 V HA 0.243 4.363 4.120 -0.000 0.000 0.267 260 V C 1.288 177.357 176.094 -0.041 0.000 1.040 260 V CA -0.568 61.699 62.300 -0.055 0.000 0.866 260 V CB 1.097 32.876 31.823 -0.074 0.000 1.019 260 V HN 0.759 nan 8.190 nan 0.000 0.468 261 K N 3.146 123.529 120.400 -0.029 0.000 2.137 261 K HA 0.137 4.457 4.320 -0.000 0.000 0.202 261 K C 1.296 177.882 176.600 -0.024 0.000 1.052 261 K CA 0.901 57.175 56.287 -0.021 0.000 0.961 261 K CB 0.231 32.724 32.500 -0.012 0.000 0.741 261 K HN 0.769 nan 8.250 nan 0.000 0.452 262 G N 0.883 109.664 108.800 -0.032 0.000 2.504 262 G HA2 0.087 4.047 3.960 -0.000 0.000 0.257 262 G HA3 0.087 4.047 3.960 -0.000 0.000 0.257 262 G C -0.265 174.594 174.900 -0.068 0.000 1.451 262 G CA -0.394 44.680 45.100 -0.044 0.000 1.059 262 G HN 0.046 nan 8.290 nan 0.000 0.550 263 D N -1.233 119.106 120.400 -0.102 0.000 2.388 263 D HA 0.450 5.090 4.640 -0.000 0.000 0.254 263 D C -0.274 175.922 176.300 -0.173 0.000 1.111 263 D CA -0.092 53.842 54.000 -0.110 0.000 0.993 263 D CB 1.897 42.640 40.800 -0.096 0.000 1.118 263 D HN 0.024 nan 8.370 nan 0.000 0.502 264 V N 0.192 120.038 119.914 -0.114 0.000 2.417 264 V HA 0.769 4.888 4.120 -0.000 0.000 0.291 264 V C 0.701 176.740 176.094 -0.092 0.000 1.024 264 V CA -0.371 61.861 62.300 -0.112 0.000 0.861 264 V CB 1.239 33.062 31.823 0.001 0.000 0.985 264 V HN 0.730 nan 8.190 nan 0.000 0.436 265 G N 3.346 112.055 108.800 -0.151 0.000 2.682 265 G HA2 0.643 4.603 3.960 -0.000 0.000 0.303 265 G HA3 0.643 4.603 3.960 -0.000 0.000 0.303 265 G C -1.741 173.196 174.900 0.062 0.000 1.341 265 G CA -0.929 44.152 45.100 -0.032 0.000 0.784 265 G HN 0.547 nan 8.290 nan 0.000 0.497 266 L N 0.526 121.837 121.223 0.146 0.000 2.292 266 L HA 0.720 5.059 4.340 -0.000 0.000 0.284 266 L C 0.670 177.711 176.870 0.286 0.000 1.065 266 L CA -0.051 54.900 54.840 0.185 0.000 0.806 266 L CB 1.517 43.652 42.059 0.127 0.000 1.175 266 L HN 0.905 nan 8.230 nan 0.000 0.431 267 G N 1.327 110.285 108.800 0.262 0.000 2.655 267 G HA2 0.501 4.461 3.960 -0.000 0.000 0.296 267 G HA3 0.501 4.461 3.960 -0.000 0.000 0.296 267 G C -1.144 173.842 174.900 0.143 0.000 1.485 267 G CA -0.416 44.753 45.100 0.114 0.000 0.869 267 G HN 0.742 nan 8.290 nan 0.000 0.540 268 G N -0.438 108.375 108.800 0.021 0.000 2.389 268 G HA2 0.570 4.530 3.960 -0.000 0.000 0.317 268 G HA3 0.570 4.530 3.960 -0.000 0.000 0.317 268 G C 0.239 174.926 174.900 -0.355 0.000 1.137 268 G CA -0.494 44.567 45.100 -0.065 0.000 0.870 268 G HN 1.081 nan 8.290 nan 0.000 0.496 269 V N 3.400 122.904 119.914 -0.683 0.000 2.583 269 V HA -0.042 4.077 4.120 -0.000 0.000 0.302 269 V C -0.723 174.836 176.094 -0.892 0.000 1.033 269 V CA -0.257 61.291 62.300 -1.252 0.000 1.194 269 V CB 1.080 32.376 31.823 -0.878 0.000 0.879 269 V HN 0.681 nan 8.190 nan 0.000 0.482 270 P HA -0.183 nan 4.420 nan 0.000 0.218 270 P C 1.084 178.156 177.300 -0.379 0.000 1.146 270 P CA 1.786 64.501 63.100 -0.642 0.000 0.813 270 P CB 0.091 31.377 31.700 -0.690 0.000 0.778 271 A N -1.047 121.556 122.820 -0.362 0.000 3.775 271 A HA -0.204 4.116 4.320 -0.000 0.000 0.237 271 A C 1.365 178.922 177.584 -0.045 0.000 0.836 271 A CA 1.315 53.259 52.037 -0.155 0.000 1.637 271 A CB -2.527 16.402 19.000 -0.118 0.000 0.938 271 A HN 0.453 nan 8.150 nan 0.000 0.721 272 D N -1.464 118.925 120.400 -0.019 0.000 2.324 272 D HA 0.063 4.703 4.640 -0.000 0.000 0.235 272 D C -0.161 176.296 176.300 0.262 0.000 1.095 272 D CA 0.057 54.114 54.000 0.095 0.000 0.871 272 D CB -0.301 40.553 40.800 0.089 0.000 0.906 272 D HN 0.608 nan 8.370 nan 0.000 0.522 273 W N 2.510 123.776 121.300 -0.056 0.000 2.422 273 W HA 0.305 4.965 4.660 -0.000 0.000 0.349 273 W C 1.424 177.918 176.519 -0.042 0.000 1.062 273 W CA -1.116 56.198 57.345 -0.052 0.000 1.497 273 W CB 0.547 29.957 29.460 -0.083 0.000 1.407 273 W HN -0.000 nan 8.180 nan 0.000 0.393 274 Q N 1.205 121.091 119.800 0.144 0.000 2.033 274 Q HA -0.080 4.260 4.340 -0.000 0.000 0.196 274 Q C 0.208 176.240 176.000 0.054 0.000 0.970 274 Q CA 1.229 57.078 55.803 0.077 0.000 0.828 274 Q CB 0.226 28.992 28.738 0.046 0.000 0.895 274 Q HN 0.427 nan 8.270 nan 0.000 0.440 275 D N -0.094 120.321 120.400 0.024 0.000 2.460 275 D HA 0.440 5.080 4.640 -0.000 0.000 0.232 275 D C -1.045 175.246 176.300 -0.015 0.000 1.079 275 D CA -0.252 53.752 54.000 0.006 0.000 0.864 275 D CB 1.169 41.962 40.800 -0.011 0.000 1.048 275 D HN -0.000 nan 8.370 nan 0.000 0.523 276 A N 2.088 124.926 122.820 0.030 0.000 2.303 276 A HA 0.443 4.763 4.320 -0.000 0.000 0.317 276 A C -0.073 177.518 177.584 0.012 0.000 1.149 276 A CA -0.710 51.348 52.037 0.035 0.000 0.822 276 A CB 1.186 20.305 19.000 0.198 0.000 1.131 276 A HN 0.447 nan 8.150 nan 0.000 0.493 277 E N 1.372 121.562 120.200 -0.015 0.000 2.081 277 E HA 0.443 4.793 4.350 -0.000 0.000 0.281 277 E C -1.106 175.519 176.600 0.041 0.000 0.986 277 E CA -0.140 56.258 56.400 -0.003 0.000 0.796 277 E CB 0.989 30.669 29.700 -0.034 0.000 1.085 277 E HN 0.294 nan 8.360 nan 0.000 0.398 278 V N 7.432 127.368 119.914 0.037 0.000 2.353 278 V HA 0.102 4.221 4.120 -0.000 0.000 0.264 278 V C 1.115 177.234 176.094 0.041 0.000 1.049 278 V CA -0.024 62.303 62.300 0.045 0.000 0.896 278 V CB 0.661 32.499 31.823 0.024 0.000 1.025 278 V HN 0.782 nan 8.190 nan 0.000 0.475 279 L N 3.794 125.055 121.223 0.063 0.000 2.416 279 L HA 0.492 4.832 4.340 -0.000 0.000 0.216 279 L C 0.952 177.860 176.870 0.065 0.000 1.098 279 L CA 0.688 55.566 54.840 0.063 0.000 0.840 279 L CB 0.117 42.227 42.059 0.084 0.000 0.981 279 L HN 0.722 nan 8.230 nan 0.000 0.462 280 A N 0.206 123.065 122.820 0.065 0.000 2.540 280 A HA 0.527 4.846 4.320 -0.000 0.000 0.297 280 A C -1.713 175.891 177.584 0.032 0.000 1.056 280 A CA -0.726 51.348 52.037 0.063 0.000 0.700 280 A CB 1.241 20.306 19.000 0.108 0.000 1.280 280 A HN 0.099 nan 8.150 nan 0.000 0.398 281 D N 0.775 121.193 120.400 0.029 0.000 2.423 281 D HA 0.647 5.287 4.640 -0.000 0.000 0.235 281 D C -1.014 175.327 176.300 0.069 0.000 1.011 281 D CA -0.255 53.752 54.000 0.013 0.000 0.963 281 D CB 1.897 42.685 40.800 -0.019 0.000 1.349 281 D HN 0.613 nan 8.370 nan 0.000 0.508 282 H N -1.119 117.911 119.070 -0.067 0.000 2.894 282 H HA 0.500 5.056 4.556 -0.000 0.000 0.367 282 H C -1.461 173.823 175.328 -0.074 0.000 1.144 282 H CA -0.259 55.754 56.048 -0.059 0.000 1.180 282 H CB 2.148 31.875 29.762 -0.058 0.000 1.758 282 H HN 0.280 nan 8.280 nan 0.000 0.541 283 T N 3.377 117.501 114.554 -0.716 0.000 2.812 283 T HA 0.359 4.709 4.350 -0.000 0.000 0.282 283 T C -0.128 174.137 174.700 -0.725 0.000 0.990 283 T CA -0.650 61.124 62.100 -0.543 0.000 0.960 283 T CB 0.956 69.634 68.868 -0.318 0.000 0.948 283 T HN 0.740 nan 8.240 nan 0.000 0.438 284 S N 2.639 118.109 115.700 -0.382 0.000 2.617 284 S HA 0.650 5.120 4.470 -0.000 0.000 0.259 284 S C 0.803 175.326 174.600 -0.130 0.000 1.301 284 S CA -0.698 57.407 58.200 -0.158 0.000 0.984 284 S CB 0.286 63.509 63.200 0.038 0.000 0.954 284 S HN 0.975 nan 8.310 nan 0.000 0.572 285 A N 0.525 123.315 122.820 -0.051 0.000 2.429 285 A HA 0.305 4.625 4.320 -0.000 0.000 0.242 285 A C 0.538 178.096 177.584 -0.043 0.000 1.088 285 A CA -0.376 51.642 52.037 -0.031 0.000 0.784 285 A CB -0.468 18.543 19.000 0.017 0.000 1.038 285 A HN 0.887 nan 8.150 nan 0.000 0.501 286 E N -0.527 119.646 120.200 -0.044 0.000 2.392 286 E HA 0.139 4.488 4.350 -0.000 0.000 0.256 286 E C 0.866 177.469 176.600 0.005 0.000 1.145 286 E CA -0.451 55.909 56.400 -0.065 0.000 0.929 286 E CB 0.424 30.092 29.700 -0.053 0.000 0.998 286 E HN 0.584 nan 8.360 nan 0.000 0.442 287 L N 2.137 123.362 121.223 0.004 0.000 2.191 287 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 287 L C 2.163 179.098 176.870 0.109 0.000 1.103 287 L CA 2.115 57.009 54.840 0.090 0.000 0.769 287 L CB -0.576 41.533 42.059 0.083 0.000 0.908 287 L HN 0.642 nan 8.230 nan 0.000 0.438 288 S N -1.343 114.412 115.700 0.091 0.000 2.383 288 S HA -0.234 4.236 4.470 -0.000 0.000 0.229 288 S C 1.881 176.559 174.600 0.130 0.000 1.030 288 S CA 1.373 59.642 58.200 0.115 0.000 1.002 288 S CB -0.551 62.711 63.200 0.105 0.000 0.829 288 S HN 0.559 nan 8.310 nan 0.000 0.467 289 E N 1.199 121.470 120.200 0.118 0.000 2.076 289 E HA 0.200 4.550 4.350 -0.000 0.000 0.190 289 E C 1.901 178.611 176.600 0.184 0.000 0.979 289 E CA 0.943 57.428 56.400 0.141 0.000 0.807 289 E CB -0.355 29.412 29.700 0.111 0.000 0.761 289 E HN 0.655 nan 8.360 nan 0.000 0.454 290 I N 0.420 121.085 120.570 0.158 0.000 2.546 290 I HA -0.193 3.977 4.170 -0.000 0.000 0.255 290 I C 1.965 178.245 176.117 0.272 0.000 1.163 290 I CA 0.392 61.788 61.300 0.160 0.000 1.457 290 I CB -0.071 37.963 38.000 0.057 0.000 1.092 290 I HN 0.168 nan 8.210 nan 0.000 0.434 291 L N 0.382 121.765 121.223 0.267 0.000 2.127 291 L HA -0.197 4.143 4.340 -0.000 0.000 0.211 291 L C 2.540 179.566 176.870 0.260 0.000 1.089 291 L CA 1.590 56.638 54.840 0.346 0.000 0.757 291 L CB -0.541 41.663 42.059 0.242 0.000 0.899 291 L HN 0.149 nan 8.230 nan 0.000 0.434 292 V N 1.280 121.327 119.914 0.220 0.000 2.214 292 V HA -0.188 3.932 4.120 -0.000 0.000 0.245 292 V C -0.194 175.980 176.094 0.134 0.000 1.047 292 V CA 2.211 64.607 62.300 0.160 0.000 0.998 292 V CB -2.049 29.910 31.823 0.228 0.000 0.633 292 V HN 0.334 nan 8.190 nan 0.000 0.446 293 P HA -0.170 nan 4.420 nan 0.000 0.226 293 P C 1.712 179.242 177.300 0.382 0.000 1.153 293 P CA 1.467 64.764 63.100 0.328 0.000 0.777 293 P CB -0.153 31.919 31.700 0.619 0.000 0.794 294 F N 0.628 120.757 119.950 0.298 0.000 2.060 294 F HA -0.160 4.367 4.527 -0.000 0.000 0.295 294 F C 2.116 177.960 175.800 0.075 0.000 1.120 294 F CA 1.414 59.585 58.000 0.286 0.000 1.205 294 F CB -0.343 38.861 39.000 0.340 0.000 0.986 294 F HN -0.296 nan 8.300 nan 0.000 0.470 295 M N 0.427 119.782 119.600 -0.409 0.000 2.334 295 M HA -0.070 4.410 4.480 -0.000 0.000 0.266 295 M C 1.922 177.960 176.300 -0.436 0.000 1.082 295 M CA 1.082 56.009 55.300 -0.621 0.000 1.141 295 M CB -0.907 31.367 32.600 -0.544 0.000 1.380 295 M HN 0.112 nan 8.290 nan 0.000 0.440 296 K N 0.007 120.144 120.400 -0.438 0.000 2.057 296 K HA -0.072 4.248 4.320 -0.000 0.000 0.207 296 K C 1.577 177.753 176.600 -0.706 0.000 1.049 296 K CA 1.416 57.303 56.287 -0.667 0.000 0.931 296 K CB -0.286 31.598 32.500 -1.026 0.000 0.714 296 K HN 0.289 nan 8.250 nan 0.000 0.440 297 F N 0.104 119.940 119.950 -0.191 0.000 2.678 297 F HA 0.215 4.742 4.527 -0.000 0.000 0.305 297 F C 0.711 176.432 175.800 -0.132 0.000 1.090 297 F CA -0.425 57.477 58.000 -0.163 0.000 1.272 297 F CB 0.140 39.034 39.000 -0.176 0.000 1.060 297 F HN -0.200 nan 8.300 nan 0.000 0.576 298 S N 1.150 116.819 115.700 -0.052 0.000 3.884 298 S HA -0.292 4.178 4.470 -0.000 0.000 0.374 298 S C 0.107 174.727 174.600 0.033 0.000 0.971 298 S CA 0.137 58.291 58.200 -0.076 0.000 1.152 298 S CB -2.060 61.091 63.200 -0.082 0.000 0.877 298 S HN 0.603 nan 8.310 nan 0.000 0.491 299 N N 1.247 120.012 118.700 0.109 0.000 2.399 299 N HA 0.266 5.006 4.740 -0.000 0.000 0.259 299 N C 1.137 176.805 175.510 0.264 0.000 1.160 299 N CA -0.338 52.787 53.050 0.126 0.000 0.946 299 N CB 0.350 38.784 38.487 -0.088 0.000 1.156 299 N HN 0.345 nan 8.380 nan 0.000 0.489 300 N N 2.594 121.409 118.700 0.192 0.000 2.120 300 N HA -0.097 4.643 4.740 -0.000 0.000 0.188 300 N C 1.792 177.475 175.510 0.289 0.000 1.024 300 N CA 1.130 54.321 53.050 0.234 0.000 0.852 300 N CB -0.431 38.140 38.487 0.140 0.000 1.003 300 N HN 0.680 nan 8.380 nan 0.000 0.424 301 G N 0.774 109.717 108.800 0.237 0.000 2.446 301 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 301 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 301 G C 1.220 176.292 174.900 0.287 0.000 1.168 301 G CA 0.965 46.226 45.100 0.269 0.000 0.771 301 G HN 0.337 nan 8.290 nan 0.000 0.551 302 H N 1.177 120.304 119.070 0.095 0.000 2.289 302 H HA -0.044 4.511 4.556 -0.000 0.000 0.296 302 H C 2.903 178.051 175.328 -0.300 0.000 1.091 302 H CA 1.248 57.212 56.048 -0.139 0.000 1.274 302 H CB -0.927 28.741 29.762 -0.156 0.000 1.364 302 H HN 0.371 nan 8.280 nan 0.000 0.490 303 A N 1.439 124.307 122.820 0.079 0.000 1.873 303 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 303 A C 2.299 179.966 177.584 0.138 0.000 1.193 303 A CA 2.069 54.197 52.037 0.151 0.000 0.629 303 A CB -0.254 19.028 19.000 0.469 0.000 0.826 303 A HN 0.394 nan 8.150 nan 0.000 0.447 304 E N -0.232 120.116 120.200 0.247 0.000 2.072 304 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 304 E C 2.137 178.701 176.600 -0.060 0.000 0.985 304 E CA 1.267 57.822 56.400 0.259 0.000 0.801 304 E CB -0.589 29.434 29.700 0.538 0.000 0.750 304 E HN 0.740 nan 8.360 nan 0.000 0.452 305 M N 0.503 120.096 119.600 -0.011 0.000 2.106 305 M HA -0.164 4.316 4.480 -0.000 0.000 0.259 305 M C 2.492 178.719 176.300 -0.121 0.000 1.068 305 M CA 1.391 56.680 55.300 -0.020 0.000 1.100 305 M CB -0.490 32.162 32.600 0.086 0.000 1.351 305 M HN 0.054 nan 8.290 nan 0.000 0.404 306 L N -0.613 120.527 121.223 -0.140 0.000 2.083 306 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 306 L C 2.472 179.284 176.870 -0.097 0.000 1.083 306 L CA 0.859 55.629 54.840 -0.117 0.000 0.752 306 L CB -0.668 41.286 42.059 -0.176 0.000 0.899 306 L HN 0.140 nan 8.230 nan 0.000 0.433 307 V N 0.138 119.990 119.914 -0.104 0.000 2.220 307 V HA -0.329 3.791 4.120 -0.000 0.000 0.246 307 V C 2.465 178.385 176.094 -0.289 0.000 1.049 307 V CA 1.926 64.161 62.300 -0.108 0.000 1.003 307 V CB -0.497 31.343 31.823 0.028 0.000 0.634 307 V HN 0.425 nan 8.190 nan 0.000 0.444 308 K N -0.093 119.946 120.400 -0.601 0.000 2.160 308 K HA -0.180 4.140 4.320 -0.000 0.000 0.206 308 K C 2.354 178.593 176.600 -0.602 0.000 1.047 308 K CA 1.748 57.478 56.287 -0.929 0.000 0.930 308 K CB -0.322 31.052 32.500 -1.877 0.000 0.720 308 K HN 0.383 nan 8.250 nan 0.000 0.450 309 S N 1.185 116.729 115.700 -0.259 0.000 2.368 309 S HA -0.062 4.408 4.470 -0.000 0.000 0.224 309 S C 1.944 176.553 174.600 0.015 0.000 1.029 309 S CA 0.899 59.174 58.200 0.126 0.000 0.988 309 S CB -0.167 63.221 63.200 0.313 0.000 0.838 309 S HN 0.203 nan 8.310 nan 0.000 0.462 310 I N 1.594 122.132 120.570 -0.054 0.000 2.208 310 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 310 I C 2.689 178.759 176.117 -0.079 0.000 1.097 310 I CA 1.225 62.492 61.300 -0.056 0.000 1.363 310 I CB -0.944 37.031 38.000 -0.042 0.000 1.051 310 I HN 0.371 nan 8.210 nan 0.000 0.413 311 G N -0.056 108.661 108.800 -0.138 0.000 2.476 311 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 311 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 311 G C 1.588 176.391 174.900 -0.162 0.000 1.164 311 G CA 0.509 45.513 45.100 -0.160 0.000 0.768 311 G HN 0.311 nan 8.290 nan 0.000 0.560 312 Q N -0.072 119.611 119.800 -0.195 0.000 2.050 312 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 312 Q C 2.509 178.449 176.000 -0.099 0.000 0.980 312 Q CA 1.730 57.389 55.803 -0.240 0.000 0.840 312 Q CB -0.299 28.191 28.738 -0.413 0.000 0.898 312 Q HN 0.590 nan 8.270 nan 0.000 0.424 313 E N 0.159 120.348 120.200 -0.017 0.000 2.077 313 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 313 E C 1.843 178.440 176.600 -0.005 0.000 0.989 313 E CA 2.090 58.503 56.400 0.020 0.000 0.800 313 E CB -0.136 29.575 29.700 0.018 0.000 0.746 313 E HN 0.439 nan 8.360 nan 0.000 0.452 314 T N -3.154 111.384 114.554 -0.026 0.000 3.035 314 T HA 0.298 4.647 4.350 -0.000 0.000 0.259 314 T C 1.428 176.110 174.700 -0.031 0.000 1.078 314 T CA 0.681 62.768 62.100 -0.022 0.000 1.132 314 T CB 0.309 69.165 68.868 -0.021 0.000 0.900 314 T HN 0.159 nan 8.240 nan 0.000 0.480 315 A N -0.197 122.591 122.820 -0.054 0.000 2.701 315 A HA 0.695 5.015 4.320 -0.000 0.000 0.241 315 A C 1.519 179.054 177.584 -0.082 0.000 1.231 315 A CA 0.368 52.370 52.037 -0.058 0.000 1.003 315 A CB -0.181 18.785 19.000 -0.058 0.000 1.281 315 A HN 1.321 nan 8.150 nan 0.000 0.600 316 G N -0.735 108.000 108.800 -0.108 0.000 2.176 316 G HA2 0.233 4.193 3.960 -0.000 0.000 0.252 316 G HA3 0.233 4.193 3.960 -0.000 0.000 0.252 316 G C 0.208 174.988 174.900 -0.200 0.000 1.024 316 G CA 0.486 45.498 45.100 -0.147 0.000 0.755 316 G HN 2.011 nan 8.290 nan 0.000 0.507 317 A N -0.797 121.891 122.820 -0.220 0.000 2.437 317 A HA 0.803 5.123 4.320 -0.000 0.000 0.293 317 A C 0.394 177.810 177.584 -0.281 0.000 1.038 317 A CA 0.441 52.340 52.037 -0.230 0.000 0.708 317 A CB 1.311 20.218 19.000 -0.155 0.000 1.251 317 A HN 1.756 nan 8.150 nan 0.000 0.409 318 G N 2.351 110.961 108.800 -0.316 0.000 3.213 318 G HA2 0.458 4.418 3.960 -0.000 0.000 0.263 318 G HA3 0.458 4.418 3.960 -0.000 0.000 0.263 318 G C 0.321 174.959 174.900 -0.437 0.000 0.829 318 G CA 0.651 45.514 45.100 -0.396 0.000 1.983 318 G HN 1.207 nan 8.290 nan 0.000 0.616 319 T N -3.109 111.217 114.554 -0.381 0.000 2.930 319 T HA 0.364 4.714 4.350 -0.000 0.000 0.290 319 T C 0.659 175.176 174.700 -0.305 0.000 1.052 319 T CA -0.951 60.962 62.100 -0.311 0.000 1.017 319 T CB 1.794 70.576 68.868 -0.144 0.000 1.137 319 T HN 0.221 nan 8.240 nan 0.000 0.511 320 W N 0.703 121.894 121.300 -0.182 0.000 2.388 320 W HA 0.000 4.660 4.660 -0.000 0.000 0.294 320 W C 1.387 177.834 176.519 -0.120 0.000 1.212 320 W CA 1.145 58.396 57.345 -0.157 0.000 1.271 320 W CB -0.636 28.727 29.460 -0.161 0.000 1.126 320 W HN 0.788 nan 8.180 nan 0.000 0.535 321 D N -0.111 120.356 120.400 0.113 0.000 2.097 321 D HA -0.140 4.500 4.640 -0.000 0.000 0.195 321 D C 2.283 178.586 176.300 0.005 0.000 0.989 321 D CA 2.136 56.161 54.000 0.042 0.000 0.827 321 D CB -0.768 40.041 40.800 0.015 0.000 0.966 321 D HN -0.005 nan 8.370 nan 0.000 0.456 322 A N 0.567 123.368 122.820 -0.032 0.000 1.873 322 A HA 0.046 4.366 4.320 -0.000 0.000 0.215 322 A C 2.381 179.936 177.584 -0.049 0.000 1.186 322 A CA 2.000 54.005 52.037 -0.053 0.000 0.616 322 A CB -1.136 17.809 19.000 -0.090 0.000 0.823 322 A HN 0.291 nan 8.150 nan 0.000 0.442 323 G N -0.159 108.598 108.800 -0.071 0.000 2.476 323 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.218 323 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.218 323 G C 1.325 176.231 174.900 0.010 0.000 1.164 323 G CA 1.287 46.351 45.100 -0.060 0.000 0.768 323 G HN 0.335 nan 8.290 nan 0.000 0.560 324 L N 0.437 121.690 121.223 0.051 0.000 2.156 324 L HA 0.069 4.409 4.340 -0.000 0.000 0.208 324 L C 3.083 179.969 176.870 0.026 0.000 1.095 324 L CA 0.529 55.401 54.840 0.054 0.000 0.770 324 L CB -0.889 41.205 42.059 0.059 0.000 0.914 324 L HN 0.100 nan 8.230 nan 0.000 0.439 325 V N -0.072 119.850 119.914 0.013 0.000 2.261 325 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 325 V C 2.562 178.661 176.094 0.009 0.000 1.047 325 V CA 1.924 64.227 62.300 0.005 0.000 1.015 325 V CB -1.228 30.593 31.823 -0.004 0.000 0.642 325 V HN 0.542 nan 8.190 nan 0.000 0.446 326 G N -0.670 108.132 108.800 0.003 0.000 2.450 326 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.220 326 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.220 326 G C 1.663 176.578 174.900 0.025 0.000 1.130 326 G CA 1.187 46.291 45.100 0.006 0.000 0.760 326 G HN 0.381 nan 8.290 nan 0.000 0.557 327 V N 0.526 120.461 119.914 0.036 0.000 2.307 327 V HA -0.132 3.988 4.120 -0.000 0.000 0.245 327 V C 2.751 178.888 176.094 0.071 0.000 1.045 327 V CA 2.046 64.385 62.300 0.065 0.000 1.024 327 V CB -0.140 31.734 31.823 0.085 0.000 0.651 327 V HN 0.401 nan 8.190 nan 0.000 0.449 328 E N 0.279 120.507 120.200 0.047 0.000 2.110 328 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 328 E C 2.136 178.763 176.600 0.045 0.000 0.988 328 E CA 1.476 57.900 56.400 0.040 0.000 0.804 328 E CB -0.013 29.695 29.700 0.014 0.000 0.745 328 E HN 0.720 nan 8.360 nan 0.000 0.458 329 E N 0.258 120.481 120.200 0.037 0.000 2.047 329 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 329 E C 2.128 178.757 176.600 0.048 0.000 0.987 329 E CA 0.866 57.287 56.400 0.035 0.000 0.799 329 E CB -0.182 29.532 29.700 0.024 0.000 0.752 329 E HN 0.271 nan 8.360 nan 0.000 0.449 330 A N 1.612 124.465 122.820 0.055 0.000 1.940 330 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 330 A C 2.250 179.891 177.584 0.096 0.000 1.176 330 A CA 1.203 53.282 52.037 0.071 0.000 0.631 330 A CB -0.676 18.363 19.000 0.065 0.000 0.814 330 A HN 0.123 nan 8.150 nan 0.000 0.446 331 L N -0.856 120.431 121.223 0.107 0.000 2.072 331 L HA -0.122 4.218 4.340 -0.000 0.000 0.205 331 L C 2.867 179.798 176.870 0.101 0.000 1.079 331 L CA 1.343 56.263 54.840 0.133 0.000 0.752 331 L CB -0.391 41.776 42.059 0.180 0.000 0.906 331 L HN 0.319 nan 8.230 nan 0.000 0.436 332 S N 0.065 115.811 115.700 0.076 0.000 2.368 332 S HA -0.125 4.345 4.470 -0.000 0.000 0.225 332 S C 1.995 176.625 174.600 0.050 0.000 1.030 332 S CA 1.286 59.519 58.200 0.056 0.000 0.999 332 S CB -0.578 62.647 63.200 0.041 0.000 0.844 332 S HN 0.597 nan 8.310 nan 0.000 0.459 333 G N 0.893 109.724 108.800 0.052 0.000 2.470 333 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.220 333 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.220 333 G C 1.165 176.096 174.900 0.051 0.000 1.121 333 G CA 0.414 45.542 45.100 0.047 0.000 0.766 333 G HN 0.443 nan 8.290 nan 0.000 0.553 334 L N 0.437 121.701 121.223 0.069 0.000 2.591 334 L HA 0.394 4.734 4.340 -0.000 0.000 0.228 334 L C 1.855 178.743 176.870 0.029 0.000 1.133 334 L CA 1.147 56.026 54.840 0.064 0.000 0.880 334 L CB -0.020 42.112 42.059 0.121 0.000 1.033 334 L HN 0.329 nan 8.230 nan 0.000 0.450 335 G N -1.339 107.480 108.800 0.032 0.000 2.175 335 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.244 335 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.244 335 G C 0.285 175.203 174.900 0.031 0.000 0.982 335 G CA 0.140 45.252 45.100 0.020 0.000 0.641 335 G HN 0.209 nan 8.290 nan 0.000 0.527 336 V N 1.550 121.495 119.914 0.052 0.000 2.614 336 V HA 0.413 4.533 4.120 -0.000 0.000 0.291 336 V C 0.576 176.713 176.094 0.073 0.000 1.049 336 V CA -0.225 62.119 62.300 0.074 0.000 1.038 336 V CB 1.641 33.539 31.823 0.124 0.000 0.980 336 V HN 0.349 nan 8.190 nan 0.000 0.481 337 D N 3.378 123.818 120.400 0.067 0.000 2.325 337 D HA 0.136 4.776 4.640 -0.000 0.000 0.251 337 D C 1.015 177.353 176.300 0.063 0.000 1.196 337 D CA 0.036 54.068 54.000 0.054 0.000 0.866 337 D CB 1.479 42.305 40.800 0.043 0.000 1.101 337 D HN 0.764 nan 8.370 nan 0.000 0.476 338 T N 0.776 115.357 114.554 0.045 0.000 3.134 338 T HA 0.344 4.694 4.350 -0.000 0.000 0.260 338 T C 1.584 176.286 174.700 0.002 0.000 1.027 338 T CA 0.200 62.316 62.100 0.027 0.000 0.913 338 T CB 0.343 69.225 68.868 0.023 0.000 1.046 338 T HN 0.244 nan 8.240 nan 0.000 0.553 339 A N 1.654 124.480 122.820 0.010 0.000 1.940 339 A HA 0.234 4.554 4.320 -0.000 0.000 0.219 339 A C 2.397 179.977 177.584 -0.007 0.000 1.176 339 A CA 1.470 53.508 52.037 0.002 0.000 0.631 339 A CB -1.221 17.784 19.000 0.008 0.000 0.814 339 A HN 0.638 nan 8.150 nan 0.000 0.446 340 G N -1.756 107.040 108.800 -0.006 0.000 3.042 340 G HA2 0.357 4.317 3.960 -0.000 0.000 0.212 340 G HA3 0.357 4.317 3.960 -0.000 0.000 0.212 340 G C 0.410 175.284 174.900 -0.043 0.000 1.166 340 G CA -0.268 44.824 45.100 -0.013 0.000 0.767 340 G HN 0.380 nan 8.290 nan 0.000 0.546 341 L N 1.879 123.058 121.223 -0.073 0.000 2.305 341 L HA 0.514 4.854 4.340 -0.000 0.000 0.281 341 L C -0.923 175.876 176.870 -0.120 0.000 1.085 341 L CA -0.373 54.375 54.840 -0.152 0.000 0.813 341 L CB 1.720 43.652 42.059 -0.212 0.000 1.157 341 L HN -0.182 nan 8.230 nan 0.000 0.436 342 V N 6.478 126.317 119.914 -0.126 0.000 2.443 342 V HA 0.352 4.472 4.120 -0.000 0.000 0.293 342 V C -0.274 175.761 176.094 -0.097 0.000 1.021 342 V CA -0.483 61.764 62.300 -0.088 0.000 0.848 342 V CB 1.906 33.694 31.823 -0.057 0.000 0.998 342 V HN 0.549 nan 8.190 nan 0.000 0.424 343 L N 4.432 125.607 121.223 -0.081 0.000 2.280 343 L HA 0.531 4.871 4.340 -0.000 0.000 0.287 343 L C 0.785 177.623 176.870 -0.052 0.000 1.023 343 L CA 0.070 54.870 54.840 -0.067 0.000 0.819 343 L CB 1.303 43.332 42.059 -0.050 0.000 1.212 343 L HN 0.576 nan 8.230 nan 0.000 0.420 344 N N 0.703 119.369 118.700 -0.057 0.000 2.257 344 N HA 0.061 4.801 4.740 -0.000 0.000 0.200 344 N C -0.888 174.517 175.510 -0.174 0.000 1.163 344 N CA 0.131 53.119 53.050 -0.104 0.000 0.891 344 N CB 0.741 39.175 38.487 -0.090 0.000 1.067 344 N HN 0.770 nan 8.380 nan 0.000 0.497 345 D N -3.458 116.905 120.400 -0.062 0.000 2.692 345 D HA 0.263 4.903 4.640 -0.000 0.000 0.290 345 D C 0.642 177.036 176.300 0.157 0.000 1.281 345 D CA -0.560 53.437 54.000 -0.005 0.000 0.804 345 D CB 0.383 41.187 40.800 0.007 0.000 1.331 345 D HN -0.103 nan 8.370 nan 0.000 0.432 346 G N -1.032 107.935 108.800 0.278 0.000 2.603 346 G HA2 0.017 3.977 3.960 -0.000 0.000 0.214 346 G HA3 0.017 3.977 3.960 -0.000 0.000 0.214 346 G C 1.090 176.171 174.900 0.301 0.000 1.140 346 G CA 0.892 46.161 45.100 0.282 0.000 0.800 346 G HN 0.585 nan 8.290 nan 0.000 0.533 347 S N -0.873 115.014 115.700 0.312 0.000 2.439 347 S HA 0.349 4.819 4.470 -0.000 0.000 0.224 347 S C 1.968 176.664 174.600 0.160 0.000 1.029 347 S CA 1.196 59.558 58.200 0.269 0.000 0.946 347 S CB 0.004 63.373 63.200 0.281 0.000 0.797 347 S HN 1.408 nan 8.310 nan 0.000 0.504 348 G N 1.108 109.993 108.800 0.143 0.000 2.175 348 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.244 348 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.244 348 G C 0.530 175.427 174.900 -0.005 0.000 0.982 348 G CA 0.352 45.492 45.100 0.067 0.000 0.641 348 G HN 0.477 nan 8.290 nan 0.000 0.527 349 L N 0.938 122.147 121.223 -0.023 0.000 2.046 349 L HA 0.133 4.473 4.340 -0.000 0.000 0.208 349 L C 2.003 178.776 176.870 -0.161 0.000 1.077 349 L CA 1.650 56.354 54.840 -0.227 0.000 0.747 349 L CB -0.459 41.254 42.059 -0.576 0.000 0.896 349 L HN 0.456 nan 8.230 nan 0.000 0.432 350 S N 0.001 115.790 115.700 0.149 0.000 2.549 350 S HA -0.028 4.442 4.470 -0.000 0.000 0.286 350 S C 1.153 175.775 174.600 0.037 0.000 1.314 350 S CA -0.243 58.085 58.200 0.214 0.000 1.062 350 S CB 0.536 63.874 63.200 0.230 0.000 0.865 350 S HN 0.285 nan 8.310 nan 0.000 0.498 351 R N 3.241 123.749 120.500 0.013 0.000 2.313 351 R HA 0.057 4.397 4.340 -0.000 0.000 0.199 351 R C 1.656 177.973 176.300 0.029 0.000 0.958 351 R CA 0.612 56.712 56.100 -0.000 0.000 1.047 351 R CB -0.220 30.096 30.300 0.027 0.000 0.955 351 R HN 0.747 nan 8.270 nan 0.000 0.481 352 G N 0.219 109.036 108.800 0.029 0.000 3.189 352 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.225 352 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.225 352 G C 0.148 175.040 174.900 -0.013 0.000 1.159 352 G CA -0.371 44.735 45.100 0.009 0.000 0.763 352 G HN 0.117 nan 8.290 nan 0.000 0.549 353 N N 0.464 119.157 118.700 -0.011 0.000 2.513 353 N HA 0.559 5.299 4.740 -0.000 0.000 0.274 353 N C -0.683 174.807 175.510 -0.033 0.000 1.189 353 N CA 0.109 53.142 53.050 -0.029 0.000 0.975 353 N CB 1.832 40.309 38.487 -0.017 0.000 1.157 353 N HN -0.002 nan 8.380 nan 0.000 0.465 354 L N 0.595 121.783 121.223 -0.058 0.000 2.482 354 L HA 0.505 4.845 4.340 -0.000 0.000 0.263 354 L C -0.232 176.587 176.870 -0.085 0.000 0.957 354 L CA -0.919 53.891 54.840 -0.049 0.000 0.836 354 L CB 2.034 44.071 42.059 -0.037 0.000 1.324 354 L HN 0.275 nan 8.230 nan 0.000 0.406 355 V N -1.050 118.840 119.914 -0.041 0.000 3.164 355 V HA 0.938 5.058 4.120 -0.000 0.000 0.313 355 V C -0.231 175.878 176.094 0.024 0.000 1.188 355 V CA -0.502 61.783 62.300 -0.024 0.000 1.058 355 V CB 2.016 33.880 31.823 0.068 0.000 1.110 355 V HN 0.832 nan 8.190 nan 0.000 0.453 356 T N -2.812 111.778 114.554 0.061 0.000 2.916 356 T HA 0.779 5.129 4.350 -0.000 0.000 0.292 356 T C 0.759 175.515 174.700 0.093 0.000 1.064 356 T CA -0.104 62.034 62.100 0.064 0.000 1.011 356 T CB 1.683 70.579 68.868 0.048 0.000 1.152 356 T HN 1.577 nan 8.240 nan 0.000 0.510 357 A N 0.634 123.499 122.820 0.076 0.000 2.014 357 A HA 0.038 4.358 4.320 -0.000 0.000 0.218 357 A C 1.822 179.447 177.584 0.070 0.000 1.163 357 A CA 1.291 53.373 52.037 0.075 0.000 0.652 357 A CB -0.913 18.131 19.000 0.073 0.000 0.808 357 A HN 0.871 nan 8.150 nan 0.000 0.449 358 D N -0.103 120.336 120.400 0.064 0.000 2.117 358 D HA -0.103 4.537 4.640 -0.000 0.000 0.197 358 D C 2.029 178.375 176.300 0.076 0.000 0.987 358 D CA 1.913 55.948 54.000 0.057 0.000 0.829 358 D CB -0.653 40.174 40.800 0.045 0.000 0.961 358 D HN 0.409 nan 8.370 nan 0.000 0.460 359 T N 0.618 115.240 114.554 0.112 0.000 2.684 359 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 359 T C 2.282 177.113 174.700 0.219 0.000 1.036 359 T CA 1.062 63.275 62.100 0.187 0.000 1.148 359 T CB -0.489 68.513 68.868 0.223 0.000 0.863 359 T HN -0.018 nan 8.240 nan 0.000 0.436 360 V N 1.175 121.204 119.914 0.192 0.000 2.295 360 V HA -0.144 3.976 4.120 -0.000 0.000 0.246 360 V C 2.712 178.768 176.094 -0.064 0.000 1.049 360 V CA 1.332 63.649 62.300 0.029 0.000 1.024 360 V CB -0.767 31.067 31.823 0.019 0.000 0.648 360 V HN 0.315 nan 8.190 nan 0.000 0.447 361 V N 0.446 120.345 119.914 -0.025 0.000 2.358 361 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 361 V C 2.405 178.490 176.094 -0.016 0.000 1.047 361 V CA 2.236 64.511 62.300 -0.041 0.000 1.035 361 V CB -0.696 31.126 31.823 -0.002 0.000 0.658 361 V HN 0.620 nan 8.190 nan 0.000 0.452 362 D N 0.188 120.598 120.400 0.016 0.000 2.104 362 D HA -0.201 4.439 4.640 -0.000 0.000 0.194 362 D C 1.999 178.299 176.300 -0.000 0.000 0.994 362 D CA 1.550 55.564 54.000 0.022 0.000 0.830 362 D CB -0.207 40.623 40.800 0.051 0.000 0.959 362 D HN 0.314 nan 8.370 nan 0.000 0.452 363 L N 0.309 121.521 121.223 -0.018 0.000 2.046 363 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 363 L C 2.297 179.111 176.870 -0.093 0.000 1.077 363 L CA 1.424 56.214 54.840 -0.084 0.000 0.747 363 L CB -0.573 41.335 42.059 -0.252 0.000 0.896 363 L HN 0.147 nan 8.230 nan 0.000 0.432 364 L N -0.764 120.423 121.223 -0.061 0.000 2.127 364 L HA -0.135 4.205 4.340 -0.000 0.000 0.211 364 L C 2.497 179.436 176.870 0.116 0.000 1.089 364 L CA 1.152 56.002 54.840 0.016 0.000 0.757 364 L CB -1.460 40.450 42.059 -0.247 0.000 0.899 364 L HN 0.480 nan 8.230 nan 0.000 0.434 365 G N -0.859 107.960 108.800 0.032 0.000 2.434 365 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.214 365 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.214 365 G C 1.477 176.343 174.900 -0.056 0.000 1.202 365 G CA 0.162 45.276 45.100 0.023 0.000 0.788 365 G HN 0.249 nan 8.290 nan 0.000 0.539 366 Q N 0.659 120.403 119.800 -0.092 0.000 2.124 366 Q HA -0.034 4.306 4.340 -0.000 0.000 0.202 366 Q C 2.916 178.713 176.000 -0.337 0.000 0.977 366 Q CA 1.386 57.092 55.803 -0.161 0.000 0.850 366 Q CB -0.780 27.900 28.738 -0.097 0.000 0.901 366 Q HN 0.450 nan 8.270 nan 0.000 0.429 367 A N 1.006 123.590 122.820 -0.394 0.000 1.902 367 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 367 A C 2.399 179.567 177.584 -0.694 0.000 1.181 367 A CA 1.797 53.366 52.037 -0.780 0.000 0.623 367 A CB -1.129 17.167 19.000 -1.173 0.000 0.818 367 A HN 0.452 nan 8.150 nan 0.000 0.443 368 G N -0.257 108.345 108.800 -0.330 0.000 2.422 368 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.218 368 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.218 368 G C 1.773 176.514 174.900 -0.266 0.000 1.146 368 G CA 1.683 46.641 45.100 -0.237 0.000 0.769 368 G HN 0.932 nan 8.290 nan 0.000 0.547 369 S N -0.249 115.279 115.700 -0.286 0.000 2.575 369 S HA 0.626 5.096 4.470 -0.000 0.000 0.215 369 S C 1.177 175.568 174.600 -0.348 0.000 0.966 369 S CA 0.403 58.453 58.200 -0.249 0.000 0.911 369 S CB 0.224 63.321 63.200 -0.171 0.000 0.780 369 S HN 0.553 nan 8.310 nan 0.000 0.514 370 A N 2.655 125.120 122.820 -0.593 0.000 2.366 370 A HA 0.570 4.890 4.320 -0.000 0.000 0.249 370 A C -1.193 175.998 177.584 -0.655 0.000 1.084 370 A CA -1.448 50.083 52.037 -0.844 0.000 0.794 370 A CB -0.070 17.825 19.000 -1.842 0.000 1.034 370 A HN 0.251 nan 8.150 nan 0.000 0.491 371 P HA -0.087 nan 4.420 nan 0.000 0.222 371 P C 0.752 178.001 177.300 -0.084 0.000 1.147 371 P CA 1.174 64.148 63.100 -0.211 0.000 0.790 371 P CB 0.044 31.697 31.700 -0.079 0.000 0.780 372 W N -2.428 118.871 121.300 -0.001 0.000 3.223 372 W HA 0.644 5.304 4.660 0.000 0.000 0.389 372 W C 0.918 177.476 176.519 0.065 0.000 1.118 372 W CA -0.028 57.341 57.345 0.041 0.000 1.902 372 W CB -1.104 28.394 29.460 0.063 0.000 1.094 372 W HN -0.135 nan 8.180 nan 0.000 0.666 373 A N 1.661 124.463 122.820 -0.030 0.000 1.948 373 A HA -0.309 4.011 4.320 -0.000 0.000 0.220 373 A C 2.113 179.821 177.584 0.207 0.000 1.177 373 A CA 2.294 54.329 52.037 -0.004 0.000 0.636 373 A CB -0.542 18.352 19.000 -0.177 0.000 0.815 373 A HN 0.313 nan 8.150 nan 0.000 0.449 374 Q N -0.679 119.215 119.800 0.158 0.000 2.049 374 Q HA -0.091 4.249 4.340 -0.000 0.000 0.198 374 Q C 2.361 178.481 176.000 0.201 0.000 0.971 374 Q CA 2.383 58.273 55.803 0.145 0.000 0.833 374 Q CB -0.633 28.159 28.738 0.091 0.000 0.896 374 Q HN 0.789 nan 8.270 nan 0.000 0.434 375 T N -1.915 112.792 114.554 0.254 0.000 3.035 375 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 375 T C 1.440 176.316 174.700 0.292 0.000 1.109 375 T CA 0.787 63.030 62.100 0.237 0.000 1.119 375 T CB -0.438 68.557 68.868 0.211 0.000 0.900 375 T HN 0.544 nan 8.240 nan 0.000 0.503 376 W N 2.789 124.212 121.300 0.206 0.000 2.407 376 W HA -0.112 4.548 4.660 -0.000 0.000 0.305 376 W C 2.232 178.820 176.519 0.115 0.000 1.196 376 W CA 1.566 59.034 57.345 0.206 0.000 1.311 376 W CB -0.645 29.068 29.460 0.421 0.000 1.135 376 W HN 0.499 nan 8.180 nan 0.000 0.514 377 S N 1.392 117.202 115.700 0.184 0.000 2.387 377 S HA -0.062 4.408 4.470 -0.000 0.000 0.226 377 S C 2.140 176.716 174.600 -0.039 0.000 1.026 377 S CA 1.208 59.401 58.200 -0.011 0.000 0.972 377 S CB -1.095 62.116 63.200 0.019 0.000 0.814 377 S HN 0.230 nan 8.310 nan 0.000 0.477 378 A N 1.851 124.686 122.820 0.025 0.000 2.194 378 A HA -0.036 4.284 4.320 -0.000 0.000 0.220 378 A C 2.383 179.960 177.584 -0.011 0.000 1.162 378 A CA 1.783 53.834 52.037 0.023 0.000 0.674 378 A CB -0.965 18.075 19.000 0.067 0.000 0.789 378 A HN 0.840 nan 8.150 nan 0.000 0.470 379 S N -1.128 114.532 115.700 -0.067 0.000 2.486 379 S HA 0.263 4.733 4.470 -0.000 0.000 0.220 379 S C 0.571 175.029 174.600 -0.237 0.000 1.011 379 S CA -0.324 57.800 58.200 -0.126 0.000 0.921 379 S CB -0.378 62.746 63.200 -0.125 0.000 0.785 379 S HN 0.350 nan 8.310 nan 0.000 0.517 380 L N 2.959 124.024 121.223 -0.263 0.000 2.360 380 L HA 0.383 4.722 4.340 -0.000 0.000 0.276 380 L C -2.482 174.272 176.870 -0.193 0.000 1.121 380 L CA -2.199 52.478 54.840 -0.272 0.000 0.845 380 L CB 0.279 42.188 42.059 -0.249 0.000 1.143 380 L HN 0.037 nan 8.230 nan 0.000 0.452 381 P HA -0.081 nan 4.420 nan 0.000 0.261 381 P C -0.654 176.586 177.300 -0.101 0.000 1.165 381 P CA 0.178 63.172 63.100 -0.176 0.000 0.759 381 P CB 0.395 31.986 31.700 -0.182 0.000 0.772 382 V N 3.723 123.592 119.914 -0.076 0.000 2.370 382 V HA 0.418 4.538 4.120 -0.000 0.000 0.279 382 V C 0.681 176.756 176.094 -0.032 0.000 1.029 382 V CA -0.887 61.391 62.300 -0.038 0.000 0.870 382 V CB 0.931 32.739 31.823 -0.025 0.000 0.984 382 V HN 0.641 nan 8.190 nan 0.000 0.451 383 A N 4.051 126.859 122.820 -0.020 0.000 2.548 383 A HA 0.499 4.819 4.320 -0.000 0.000 0.247 383 A C 1.516 179.089 177.584 -0.018 0.000 1.067 383 A CA 0.712 52.738 52.037 -0.018 0.000 0.757 383 A CB -0.491 18.502 19.000 -0.012 0.000 0.996 383 A HN 2.181 nan 8.150 nan 0.000 0.504 384 G N 1.427 110.218 108.800 -0.015 0.000 2.179 384 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.260 384 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.260 384 G C 0.005 174.904 174.900 -0.001 0.000 0.977 384 G CA 0.335 45.429 45.100 -0.009 0.000 0.641 384 G HN 0.812 nan 8.290 nan 0.000 0.533 385 E N 0.808 121.007 120.200 -0.001 0.000 2.259 385 E HA 0.449 4.799 4.350 -0.000 0.000 0.281 385 E C 1.182 177.797 176.600 0.024 0.000 1.037 385 E CA 0.257 56.664 56.400 0.011 0.000 0.854 385 E CB 1.316 31.022 29.700 0.010 0.000 1.051 385 E HN 0.188 nan 8.360 nan 0.000 0.409 386 S N 1.769 117.488 115.700 0.032 0.000 2.368 386 S HA -0.143 4.327 4.470 -0.000 0.000 0.224 386 S C 0.751 175.392 174.600 0.068 0.000 1.029 386 S CA 0.651 58.877 58.200 0.042 0.000 0.988 386 S CB -0.014 63.208 63.200 0.036 0.000 0.838 386 S HN 0.527 nan 8.310 nan 0.000 0.462 387 D N 2.163 122.610 120.400 0.078 0.000 2.434 387 D HA 0.088 4.728 4.640 -0.000 0.000 0.252 387 D C -1.766 174.635 176.300 0.168 0.000 1.185 387 D CA -1.903 52.170 54.000 0.122 0.000 0.886 387 D CB 1.014 41.882 40.800 0.113 0.000 1.148 387 D HN -0.019 nan 8.370 nan 0.000 0.483 388 P HA -0.139 nan 4.420 nan 0.000 0.215 388 P C 1.147 178.636 177.300 0.316 0.000 1.157 388 P CA 1.026 64.336 63.100 0.350 0.000 0.874 388 P CB -0.031 31.921 31.700 0.420 0.000 0.790 389 F N -1.648 118.459 119.950 0.261 0.000 2.641 389 F HA -0.081 4.446 4.527 -0.000 0.000 0.298 389 F C 1.973 177.745 175.800 -0.047 0.000 1.146 389 F CA 0.795 58.857 58.000 0.104 0.000 1.464 389 F CB -0.477 38.625 39.000 0.170 0.000 1.101 389 F HN -0.215 nan 8.300 nan 0.000 0.585 390 V N -1.780 118.199 119.914 0.108 0.000 2.743 390 V HA 0.136 4.256 4.120 -0.000 0.000 0.237 390 V C 2.430 178.496 176.094 -0.046 0.000 1.113 390 V CA 1.321 63.639 62.300 0.030 0.000 1.141 390 V CB -0.740 31.118 31.823 0.057 0.000 0.873 390 V HN 0.251 nan 8.190 nan 0.000 0.486 391 G N -0.539 108.243 108.800 -0.031 0.000 2.396 391 G HA2 0.310 4.270 3.960 -0.000 0.000 0.214 391 G HA3 0.310 4.270 3.960 -0.000 0.000 0.214 391 G C 1.138 175.962 174.900 -0.127 0.000 1.166 391 G CA 1.183 46.251 45.100 -0.053 0.000 0.793 391 G HN 0.909 nan 8.290 nan 0.000 0.533 392 G N -0.169 108.509 108.800 -0.202 0.000 2.574 392 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.286 392 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.286 392 G C 1.388 176.218 174.900 -0.117 0.000 1.212 392 G CA 2.017 46.888 45.100 -0.381 0.000 0.979 392 G HN 1.249 nan 8.290 nan 0.000 0.557 393 T N -0.422 114.052 114.554 -0.132 0.000 3.098 393 T HA 0.225 4.575 4.350 -0.000 0.000 0.266 393 T C 2.115 176.782 174.700 -0.055 0.000 1.145 393 T CA 1.705 63.771 62.100 -0.057 0.000 1.092 393 T CB -0.036 68.787 68.868 -0.076 0.000 0.908 393 T HN 0.540 nan 8.240 nan 0.000 0.526 394 L N -0.124 121.057 121.223 -0.070 0.000 2.640 394 L HA 0.449 4.789 4.340 -0.000 0.000 0.230 394 L C 2.789 179.642 176.870 -0.028 0.000 1.123 394 L CA 0.155 54.967 54.840 -0.047 0.000 0.900 394 L CB -0.387 41.642 42.059 -0.050 0.000 1.146 394 L HN 0.299 nan 8.230 nan 0.000 0.484 395 A N 0.826 123.636 122.820 -0.018 0.000 1.917 395 A HA -0.208 4.111 4.320 -0.000 0.000 0.219 395 A C 1.668 179.255 177.584 0.006 0.000 1.182 395 A CA 1.771 53.811 52.037 0.005 0.000 0.633 395 A CB -0.332 18.689 19.000 0.036 0.000 0.819 395 A HN 0.494 nan 8.150 nan 0.000 0.448 396 N N -0.493 118.208 118.700 0.002 0.000 2.279 396 N HA 0.129 4.869 4.740 -0.000 0.000 0.226 396 N C -0.345 175.160 175.510 -0.009 0.000 1.126 396 N CA 0.071 53.121 53.050 -0.000 0.000 0.846 396 N CB 0.530 39.018 38.487 0.002 0.000 1.050 396 N HN 0.437 nan 8.380 nan 0.000 0.502 397 R N 0.017 120.509 120.500 -0.013 0.000 2.670 397 R HA 0.423 4.763 4.340 -0.000 0.000 0.289 397 R C 0.549 176.838 176.300 -0.019 0.000 0.965 397 R CA -0.497 55.592 56.100 -0.018 0.000 0.899 397 R CB 1.636 31.923 30.300 -0.022 0.000 1.173 397 R HN -0.004 nan 8.270 nan 0.000 0.456 398 M N 0.201 119.788 119.600 -0.022 0.000 2.899 398 M HA -0.262 4.218 4.480 -0.000 0.000 0.195 398 M C -0.429 175.859 176.300 -0.019 0.000 0.603 398 M CA 1.018 56.303 55.300 -0.025 0.000 0.712 398 M CB -1.100 31.482 32.600 -0.030 0.000 2.569 398 M HN 0.568 nan 8.290 nan 0.000 0.406 399 R N 0.923 121.415 120.500 -0.014 0.000 2.585 399 R HA 0.270 4.610 4.340 -0.000 0.000 0.275 399 R C 1.384 177.679 176.300 -0.008 0.000 1.018 399 R CA 1.066 57.160 56.100 -0.009 0.000 1.072 399 R CB 0.114 30.411 30.300 -0.005 0.000 0.953 399 R HN 0.519 nan 8.270 nan 0.000 0.419 400 G N 1.843 110.640 108.800 -0.005 0.000 2.225 400 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.267 400 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.267 400 G C 0.198 175.096 174.900 -0.005 0.000 1.024 400 G CA 0.797 45.895 45.100 -0.003 0.000 0.784 400 G HN 0.760 nan 8.290 nan 0.000 0.507 401 T N -4.682 109.867 114.554 -0.008 0.000 2.905 401 T HA 0.820 5.170 4.350 -0.000 0.000 0.283 401 T C 1.631 176.328 174.700 -0.005 0.000 1.031 401 T CA 0.298 62.392 62.100 -0.009 0.000 1.002 401 T CB 1.590 70.446 68.868 -0.019 0.000 1.200 401 T HN 1.326 nan 8.240 nan 0.000 0.560 402 A N 0.304 123.125 122.820 0.003 0.000 1.986 402 A HA 0.155 4.475 4.320 -0.000 0.000 0.220 402 A C 2.432 179.998 177.584 -0.030 0.000 1.171 402 A CA 2.011 54.061 52.037 0.022 0.000 0.640 402 A CB -1.491 17.540 19.000 0.052 0.000 0.811 402 A HN 1.288 nan 8.150 nan 0.000 0.451 403 A N -0.627 122.163 122.820 -0.050 0.000 2.123 403 A HA 0.095 4.415 4.320 -0.000 0.000 0.214 403 A C 1.063 178.606 177.584 -0.068 0.000 1.152 403 A CA 0.531 52.520 52.037 -0.080 0.000 0.728 403 A CB -0.316 18.645 19.000 -0.066 0.000 0.814 403 A HN 0.624 nan 8.150 nan 0.000 0.464 404 E N 0.022 120.195 120.200 -0.044 0.000 2.406 404 E HA 0.296 4.646 4.350 -0.000 0.000 0.258 404 E C 1.119 177.698 176.600 -0.034 0.000 1.043 404 E CA 0.527 56.909 56.400 -0.030 0.000 0.929 404 E CB -0.183 29.508 29.700 -0.015 0.000 0.969 404 E HN 0.652 nan 8.360 nan 0.000 0.462 405 G N 2.774 111.556 108.800 -0.030 0.000 2.184 405 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.264 405 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.264 405 G C 0.606 175.480 174.900 -0.044 0.000 0.975 405 G CA 0.347 45.433 45.100 -0.024 0.000 0.642 405 G HN 0.481 nan 8.290 nan 0.000 0.536 406 V N -0.420 119.443 119.914 -0.084 0.000 2.840 406 V HA 0.225 4.345 4.120 -0.000 0.000 0.234 406 V C 1.698 177.751 176.094 -0.067 0.000 1.159 406 V CA 0.936 63.145 62.300 -0.152 0.000 1.194 406 V CB 0.416 32.000 31.823 -0.399 0.000 0.971 406 V HN 0.201 nan 8.190 nan 0.000 0.494 407 V N 2.148 122.040 119.914 -0.037 0.000 2.521 407 V HA 0.136 4.256 4.120 -0.000 0.000 0.286 407 V C 0.005 176.139 176.094 0.068 0.000 1.034 407 V CA 0.151 62.484 62.300 0.055 0.000 1.045 407 V CB 0.464 32.326 31.823 0.065 0.000 0.974 407 V HN 0.488 nan 8.190 nan 0.000 0.480 408 E N 3.530 123.800 120.200 0.117 0.000 2.133 408 E HA 0.721 5.071 4.350 -0.000 0.000 0.274 408 E C -0.308 176.332 176.600 0.066 0.000 0.930 408 E CA -0.262 56.185 56.400 0.078 0.000 0.770 408 E CB 1.766 31.534 29.700 0.113 0.000 1.104 408 E HN 0.855 nan 8.360 nan 0.000 0.403 409 A N 3.117 125.921 122.820 -0.026 0.000 2.594 409 A HA 0.591 4.910 4.320 -0.000 0.000 0.295 409 A C -1.405 176.082 177.584 -0.162 0.000 1.071 409 A CA -0.855 51.116 52.037 -0.110 0.000 0.685 409 A CB 1.636 20.641 19.000 0.008 0.000 1.285 409 A HN 0.382 nan 8.150 nan 0.000 0.405 410 K N 0.931 121.201 120.400 -0.218 0.000 2.185 410 K HA 0.638 4.958 4.320 -0.000 0.000 0.269 410 K C 0.436 176.944 176.600 -0.152 0.000 0.987 410 K CA 0.293 56.453 56.287 -0.212 0.000 0.865 410 K CB 0.987 33.334 32.500 -0.254 0.000 1.090 410 K HN 0.918 nan 8.250 nan 0.000 0.450 411 T N -0.175 114.300 114.554 -0.133 0.000 2.810 411 T HA 0.762 5.112 4.350 -0.000 0.000 0.277 411 T C 0.264 174.912 174.700 -0.088 0.000 0.973 411 T CA -0.499 61.544 62.100 -0.094 0.000 0.949 411 T CB 1.228 70.043 68.868 -0.089 0.000 1.075 411 T HN 0.656 nan 8.240 nan 0.000 0.537 412 G N 0.315 109.073 108.800 -0.070 0.000 1.930 412 G HA2 0.463 4.422 3.960 -0.000 0.000 0.286 412 G HA3 0.463 4.422 3.960 -0.000 0.000 0.286 412 G C -0.928 173.937 174.900 -0.058 0.000 2.113 412 G CA -0.759 44.300 45.100 -0.067 0.000 0.875 412 G HN 0.832 nan 8.290 nan 0.000 0.543 413 T N 2.607 117.111 114.554 -0.084 0.000 2.921 413 T HA 0.785 5.135 4.350 -0.000 0.000 0.297 413 T C 0.194 174.819 174.700 -0.124 0.000 1.013 413 T CA -0.401 61.655 62.100 -0.074 0.000 0.990 413 T CB 1.786 70.616 68.868 -0.063 0.000 1.023 413 T HN 0.556 nan 8.240 nan 0.000 0.447 414 M N 0.507 120.044 119.600 -0.106 0.000 3.053 414 M HA 0.516 4.995 4.480 -0.000 0.000 0.281 414 M C 0.209 176.449 176.300 -0.100 0.000 1.304 414 M CA -1.075 54.130 55.300 -0.158 0.000 0.767 414 M CB 1.607 34.075 32.600 -0.220 0.000 1.730 414 M HN 0.506 nan 8.290 nan 0.000 0.437 415 S N 0.456 116.082 115.700 -0.123 0.000 2.544 415 S HA 0.283 4.753 4.470 -0.000 0.000 0.290 415 S C 1.106 175.630 174.600 -0.127 0.000 1.276 415 S CA 1.225 59.374 58.200 -0.084 0.000 1.075 415 S CB -0.495 62.676 63.200 -0.048 0.000 0.849 415 S HN 1.047 nan 8.310 nan 0.000 0.494 416 G N 2.958 111.627 108.800 -0.219 0.000 2.233 416 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.270 416 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.270 416 G C -0.008 174.622 174.900 -0.450 0.000 1.011 416 G CA 0.463 45.237 45.100 -0.543 0.000 0.762 416 G HN 1.253 nan 8.290 nan 0.000 0.511 417 V N -0.733 119.108 119.914 -0.120 0.000 2.733 417 V HA 0.849 4.969 4.120 -0.000 0.000 0.306 417 V C -0.100 176.090 176.094 0.160 0.000 1.084 417 V CA -0.110 62.224 62.300 0.057 0.000 0.905 417 V CB 2.005 33.810 31.823 -0.029 0.000 1.010 417 V HN 0.940 nan 8.190 nan 0.000 0.424 418 S N 2.721 118.532 115.700 0.184 0.000 2.550 418 S HA 0.954 5.424 4.470 -0.000 0.000 0.270 418 S C -1.196 173.424 174.600 0.033 0.000 1.145 418 S CA 0.296 58.533 58.200 0.061 0.000 0.852 418 S CB 2.057 65.252 63.200 -0.009 0.000 1.119 418 S HN 1.994 nan 8.310 nan 0.000 0.465 419 A N 2.010 124.833 122.820 0.004 0.000 2.594 419 A HA 0.795 5.115 4.320 -0.000 0.000 0.296 419 A C -2.120 175.461 177.584 -0.004 0.000 1.061 419 A CA -0.527 51.516 52.037 0.009 0.000 0.689 419 A CB 1.567 20.575 19.000 0.014 0.000 1.280 419 A HN 1.264 nan 8.150 nan 0.000 0.406 420 L N 1.098 122.333 121.223 0.020 0.000 2.470 420 L HA 0.818 5.158 4.340 -0.000 0.000 0.268 420 L C -0.818 176.028 176.870 -0.041 0.000 0.964 420 L CA 0.331 55.189 54.840 0.031 0.000 0.839 420 L CB 2.236 44.382 42.059 0.144 0.000 1.276 420 L HN 0.718 nan 8.230 nan 0.000 0.403 421 S N 2.587 118.110 115.700 -0.294 0.000 2.548 421 S HA 0.989 5.459 4.470 -0.000 0.000 0.276 421 S C -0.249 173.813 174.600 -0.897 0.000 1.129 421 S CA -0.084 57.697 58.200 -0.699 0.000 0.931 421 S CB 1.821 64.787 63.200 -0.389 0.000 1.068 421 S HN 1.095 nan 8.310 nan 0.000 0.480 422 G N 1.187 109.087 108.800 -1.500 0.000 2.512 422 G HA2 0.519 4.479 3.960 -0.000 0.000 0.186 422 G HA3 0.519 4.479 3.960 -0.000 0.000 0.186 422 G C -2.403 172.011 174.900 -0.811 0.000 1.189 422 G CA -0.451 44.090 45.100 -0.931 0.000 0.994 422 G HN 0.502 nan 8.290 nan 0.000 0.506 423 Y N -0.905 119.400 120.300 0.008 0.000 2.477 423 Y HA 0.629 5.179 4.550 -0.000 0.000 0.347 423 Y C -0.258 175.779 175.900 0.229 0.000 0.981 423 Y CA -0.898 57.293 58.100 0.151 0.000 1.033 423 Y CB 2.838 41.363 38.460 0.108 0.000 1.245 423 Y HN 0.297 nan 8.280 nan 0.000 0.455 424 V N 4.256 124.395 119.914 0.375 0.000 2.325 424 V HA 0.372 4.492 4.120 -0.000 0.000 0.280 424 V C -2.554 173.674 176.094 0.223 0.000 1.016 424 V CA -1.991 60.454 62.300 0.242 0.000 0.818 424 V CB 1.246 33.185 31.823 0.193 0.000 1.019 424 V HN 0.508 nan 8.190 nan 0.000 0.434 425 P HA 0.369 nan 4.420 nan 0.000 0.287 425 P C 0.138 177.613 177.300 0.291 0.000 1.294 425 P CA 0.380 63.590 63.100 0.184 0.000 0.776 425 P CB 1.780 33.555 31.700 0.126 0.000 0.889 426 G N 3.879 112.809 108.800 0.216 0.000 2.601 426 G HA2 0.482 4.442 3.960 -0.000 0.000 0.317 426 G HA3 0.482 4.442 3.960 -0.000 0.000 0.317 426 G C -1.847 173.087 174.900 0.056 0.000 1.246 426 G CA -1.642 43.549 45.100 0.151 0.000 1.012 426 G HN 0.145 nan 8.290 nan 0.000 0.494 427 P HA -0.044 nan 4.420 nan 0.000 0.218 427 P C 1.517 178.812 177.300 -0.008 0.000 1.149 427 P CA 1.087 64.170 63.100 -0.028 0.000 0.817 427 P CB 0.263 31.922 31.700 -0.069 0.000 0.785 428 E N -0.333 119.864 120.200 -0.005 0.000 1.977 428 E HA -0.022 4.328 4.350 -0.000 0.000 0.201 428 E C 1.636 178.253 176.600 0.029 0.000 0.976 428 E CA 1.718 58.123 56.400 0.008 0.000 0.868 428 E CB -1.218 28.487 29.700 0.008 0.000 0.816 428 E HN 0.207 nan 8.360 nan 0.000 0.522 429 G N -0.140 108.692 108.800 0.052 0.000 2.890 429 G HA2 0.336 4.296 3.960 -0.000 0.000 0.199 429 G HA3 0.336 4.296 3.960 -0.000 0.000 0.199 429 G C -0.796 174.158 174.900 0.090 0.000 1.729 429 G CA 0.013 45.149 45.100 0.061 0.000 0.767 429 G HN 0.307 nan 8.290 nan 0.000 0.804 430 E N -0.888 119.382 120.200 0.116 0.000 2.363 430 E HA 0.509 4.859 4.350 -0.000 0.000 0.281 430 E C -1.635 175.086 176.600 0.200 0.000 0.953 430 E CA -0.551 55.947 56.400 0.164 0.000 0.778 430 E CB 2.031 31.822 29.700 0.151 0.000 1.220 430 E HN 0.245 nan 8.360 nan 0.000 0.431 431 L N 2.218 123.586 121.223 0.241 0.000 2.325 431 L HA 0.830 5.170 4.340 -0.000 0.000 0.278 431 L C -0.328 176.704 176.870 0.271 0.000 1.023 431 L CA -0.861 54.120 54.840 0.235 0.000 0.811 431 L CB 1.767 43.958 42.059 0.221 0.000 1.249 431 L HN 0.593 nan 8.230 nan 0.000 0.431 432 A N 3.084 126.014 122.820 0.183 0.000 2.331 432 A HA 0.839 5.159 4.320 -0.000 0.000 0.320 432 A C -1.021 176.613 177.584 0.084 0.000 1.138 432 A CA -0.367 51.681 52.037 0.019 0.000 0.790 432 A CB 0.923 19.900 19.000 -0.038 0.000 1.206 432 A HN 0.592 nan 8.150 nan 0.000 0.470 433 F N 0.504 120.380 119.950 -0.123 0.000 2.599 433 F HA 0.848 5.375 4.527 -0.000 0.000 0.311 433 F C -0.451 175.300 175.800 -0.081 0.000 1.076 433 F CA -0.882 57.074 58.000 -0.072 0.000 0.937 433 F CB 1.826 40.792 39.000 -0.056 0.000 1.282 433 F HN 0.437 nan 8.300 nan 0.000 0.460 434 S N 3.218 118.972 115.700 0.090 0.000 2.672 434 S HA 0.719 5.189 4.470 -0.000 0.000 0.291 434 S C -1.320 173.370 174.600 0.151 0.000 1.145 434 S CA -0.503 57.704 58.200 0.012 0.000 1.013 434 S CB 0.606 63.791 63.200 -0.026 0.000 1.017 434 S HN 0.649 nan 8.310 nan 0.000 0.487 435 I N 4.587 125.258 120.570 0.169 0.000 2.355 435 I HA 0.517 4.687 4.170 -0.000 0.000 0.288 435 I C -0.887 175.275 176.117 0.075 0.000 0.999 435 I CA -0.756 60.621 61.300 0.128 0.000 1.163 435 I CB 1.876 39.955 38.000 0.131 0.000 1.316 435 I HN 0.294 nan 8.210 nan 0.000 0.454 436 V N 6.374 126.328 119.914 0.067 0.000 2.447 436 V HA 0.374 4.494 4.120 -0.000 0.000 0.292 436 V C -0.563 175.570 176.094 0.065 0.000 1.021 436 V CA -0.746 61.590 62.300 0.060 0.000 0.850 436 V CB 1.468 33.328 31.823 0.061 0.000 1.005 436 V HN 0.674 nan 8.190 nan 0.000 0.426 437 N N 4.488 123.231 118.700 0.072 0.000 2.372 437 N HA 0.511 5.251 4.740 -0.000 0.000 0.291 437 N C -0.984 174.645 175.510 0.198 0.000 1.024 437 N CA -0.442 52.676 53.050 0.113 0.000 0.873 437 N CB 2.335 40.852 38.487 0.050 0.000 1.206 437 N HN 0.645 nan 8.380 nan 0.000 0.486 438 N N -0.447 118.355 118.700 0.169 0.000 2.262 438 N HA 0.373 5.113 4.740 -0.000 0.000 0.295 438 N C 0.416 175.943 175.510 0.028 0.000 1.161 438 N CA -0.500 52.594 53.050 0.075 0.000 0.767 438 N CB 2.440 40.946 38.487 0.032 0.000 1.499 438 N HN 0.675 nan 8.380 nan 0.000 0.476 439 G N 0.992 109.710 108.800 -0.138 0.000 2.162 439 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.260 439 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.260 439 G C 0.059 174.900 174.900 -0.099 0.000 0.976 439 G CA 0.479 45.510 45.100 -0.115 0.000 0.655 439 G HN 0.869 nan 8.290 nan 0.000 0.533 440 H N -0.075 118.997 119.070 0.004 0.000 2.771 440 H HA 0.555 5.111 4.556 -0.000 0.000 0.364 440 H C 1.401 176.730 175.328 0.003 0.000 1.133 440 H CA 0.470 56.519 56.048 0.002 0.000 1.423 440 H CB 0.987 30.748 29.762 -0.002 0.000 1.425 440 H HN 0.426 nan 8.280 nan 0.000 0.606 441 S N 1.044 116.801 115.700 0.096 0.000 2.497 441 S HA 0.206 4.676 4.470 -0.000 0.000 0.218 441 S C 1.189 175.828 174.600 0.065 0.000 1.023 441 S CA -0.023 58.200 58.200 0.038 0.000 0.913 441 S CB 0.191 63.407 63.200 0.027 0.000 0.800 441 S HN 0.844 nan 8.310 nan 0.000 0.505 442 G N 2.257 111.125 108.800 0.114 0.000 2.849 442 G HA2 0.609 4.569 3.960 -0.000 0.000 0.174 442 G HA3 0.609 4.569 3.960 -0.000 0.000 0.174 442 G C -2.693 172.285 174.900 0.130 0.000 1.370 442 G CA -1.397 43.755 45.100 0.088 0.000 1.040 442 G HN 0.338 nan 8.290 nan 0.000 0.582 443 P HA 0.358 nan 4.420 nan 0.000 0.271 443 P C -0.115 177.182 177.300 -0.005 0.000 1.218 443 P CA -0.095 63.029 63.100 0.039 0.000 0.780 443 P CB 0.729 32.429 31.700 -0.001 0.000 0.901 444 A N 5.006 127.816 122.820 -0.017 0.000 2.591 444 A HA 0.085 4.405 4.320 -0.000 0.000 0.244 444 A C -1.470 175.978 177.584 -0.227 0.000 1.031 444 A CA -0.624 51.304 52.037 -0.181 0.000 0.767 444 A CB -1.298 17.662 19.000 -0.068 0.000 0.942 444 A HN 0.426 nan 8.150 nan 0.000 0.514 445 P HA 0.054 nan 4.420 nan 0.000 0.238 445 P C 0.569 177.785 177.300 -0.140 0.000 1.729 445 P CA 0.224 63.194 63.100 -0.217 0.000 1.055 445 P CB -0.069 31.485 31.700 -0.243 0.000 1.980 446 L N 0.755 121.914 121.223 -0.106 0.000 2.179 446 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 446 L C 2.540 179.372 176.870 -0.063 0.000 1.096 446 L CA 1.260 56.055 54.840 -0.075 0.000 0.779 446 L CB -0.728 41.295 42.059 -0.061 0.000 0.922 446 L HN 0.132 nan 8.230 nan 0.000 0.443 447 A N -0.193 122.589 122.820 -0.063 0.000 1.898 447 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 447 A C 2.352 179.898 177.584 -0.064 0.000 1.181 447 A CA 1.499 53.502 52.037 -0.056 0.000 0.620 447 A CB -0.713 18.258 19.000 -0.049 0.000 0.819 447 A HN 0.161 nan 8.150 nan 0.000 0.442 448 V N 0.039 119.911 119.914 -0.071 0.000 2.343 448 V HA -0.328 3.792 4.120 -0.000 0.000 0.247 448 V C 2.673 178.718 176.094 -0.083 0.000 1.051 448 V CA 2.356 64.610 62.300 -0.076 0.000 1.036 448 V CB -0.859 30.917 31.823 -0.077 0.000 0.654 448 V HN 0.663 nan 8.190 nan 0.000 0.451 449 Q N -0.538 119.219 119.800 -0.072 0.000 2.084 449 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 449 Q C 2.057 178.009 176.000 -0.080 0.000 0.978 449 Q CA 1.745 57.513 55.803 -0.059 0.000 0.844 449 Q CB -0.260 28.463 28.738 -0.025 0.000 0.898 449 Q HN 0.637 nan 8.270 nan 0.000 0.426 450 D N 0.776 121.135 120.400 -0.070 0.000 2.097 450 D HA -0.147 4.493 4.640 -0.000 0.000 0.195 450 D C 1.861 178.102 176.300 -0.098 0.000 0.989 450 D CA 1.351 55.306 54.000 -0.075 0.000 0.827 450 D CB -0.352 40.415 40.800 -0.055 0.000 0.966 450 D HN 0.252 nan 8.370 nan 0.000 0.456 451 A N 1.020 123.784 122.820 -0.092 0.000 1.927 451 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 451 A C 2.400 179.904 177.584 -0.133 0.000 1.185 451 A CA 1.346 53.326 52.037 -0.096 0.000 0.639 451 A CB -0.849 18.100 19.000 -0.085 0.000 0.820 451 A HN 0.239 nan 8.150 nan 0.000 0.451 452 I N -0.665 119.802 120.570 -0.171 0.000 2.286 452 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 452 I C 2.945 178.869 176.117 -0.321 0.000 1.104 452 I CA 0.948 62.102 61.300 -0.243 0.000 1.397 452 I CB -0.379 37.464 38.000 -0.261 0.000 1.072 452 I HN 0.346 nan 8.210 nan 0.000 0.417 453 A N 0.571 123.183 122.820 -0.348 0.000 1.898 453 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 453 A C 2.439 179.882 177.584 -0.235 0.000 1.181 453 A CA 1.538 53.318 52.037 -0.427 0.000 0.620 453 A CB -0.899 17.907 19.000 -0.324 0.000 0.819 453 A HN 0.220 nan 8.150 nan 0.000 0.442 454 V N 0.088 119.911 119.914 -0.152 0.000 2.295 454 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 454 V C 2.667 178.721 176.094 -0.066 0.000 1.049 454 V CA 2.365 64.612 62.300 -0.088 0.000 1.024 454 V CB -0.826 30.958 31.823 -0.065 0.000 0.648 454 V HN 0.623 nan 8.190 nan 0.000 0.447 455 R N 0.348 120.794 120.500 -0.090 0.000 2.091 455 R HA -0.127 4.213 4.340 -0.000 0.000 0.238 455 R C 2.069 178.349 176.300 -0.033 0.000 1.136 455 R CA 1.783 57.845 56.100 -0.063 0.000 0.959 455 R CB -0.830 29.409 30.300 -0.102 0.000 0.856 455 R HN 0.488 nan 8.270 nan 0.000 0.437 456 L N -0.470 120.689 121.223 -0.106 0.000 2.083 456 L HA -0.100 4.240 4.340 -0.000 0.000 0.209 456 L C 2.399 179.308 176.870 0.064 0.000 1.083 456 L CA 1.330 56.131 54.840 -0.065 0.000 0.752 456 L CB -0.604 41.317 42.059 -0.230 0.000 0.899 456 L HN 0.349 nan 8.230 nan 0.000 0.433 457 A N -0.231 122.602 122.820 0.022 0.000 1.930 457 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 457 A C 2.128 179.827 177.584 0.192 0.000 1.175 457 A CA 1.420 53.513 52.037 0.094 0.000 0.627 457 A CB -0.332 18.653 19.000 -0.024 0.000 0.815 457 A HN 0.410 nan 8.150 nan 0.000 0.443 458 E N -1.669 118.600 120.200 0.115 0.000 2.077 458 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 458 E C 1.784 178.450 176.600 0.110 0.000 0.989 458 E CA 1.376 57.836 56.400 0.099 0.000 0.800 458 E CB -0.290 29.445 29.700 0.059 0.000 0.746 458 E HN 0.780 nan 8.360 nan 0.000 0.452 459 Y N 0.553 120.863 120.300 0.016 0.000 2.333 459 Y HA -0.109 4.441 4.550 -0.000 0.000 0.290 459 Y C 1.621 177.538 175.900 0.027 0.000 1.144 459 Y CA 1.164 59.272 58.100 0.013 0.000 1.228 459 Y CB 0.083 38.545 38.460 0.002 0.000 0.985 459 Y HN -0.050 nan 8.280 nan 0.000 0.542 460 A N -0.414 122.486 122.820 0.133 0.000 2.476 460 A HA 0.425 4.745 4.320 -0.000 0.000 0.263 460 A C 1.641 179.157 177.584 -0.113 0.000 1.342 460 A CA 0.479 52.559 52.037 0.071 0.000 0.926 460 A CB -1.517 17.645 19.000 0.270 0.000 1.019 460 A HN 0.846 nan 8.150 nan 0.000 0.515 461 G N -0.299 108.415 108.800 -0.144 0.000 2.153 461 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.252 461 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.252 461 G C 0.043 174.773 174.900 -0.285 0.000 0.994 461 G CA 0.443 45.411 45.100 -0.219 0.000 0.698 461 G HN 0.753 nan 8.290 nan 0.000 0.521 462 H N 0.278 119.343 119.070 -0.008 0.000 2.472 462 H HA 0.508 5.063 4.556 -0.000 0.000 0.335 462 H C 0.605 175.931 175.328 -0.004 0.000 1.136 462 H CA 0.301 56.348 56.048 -0.002 0.000 1.264 462 H CB 1.317 31.083 29.762 0.007 0.000 1.486 462 H HN 0.683 nan 8.280 nan 0.000 0.517 463 Q N 0.718 120.586 119.800 0.112 0.000 2.416 463 Q HA 0.688 5.028 4.340 -0.000 0.000 0.279 463 Q C -1.070 174.962 176.000 0.052 0.000 1.101 463 Q CA -1.433 54.406 55.803 0.060 0.000 0.830 463 Q CB 2.216 30.971 28.738 0.028 0.000 1.402 463 Q HN 0.611 nan 8.270 nan 0.000 0.445 464 A N 2.700 125.538 122.820 0.030 0.000 2.492 464 A HA 0.393 4.713 4.320 -0.000 0.000 0.254 464 A C -2.000 175.595 177.584 0.017 0.000 1.091 464 A CA -1.087 50.962 52.037 0.019 0.000 0.768 464 A CB -0.493 18.512 19.000 0.009 0.000 1.028 464 A HN 0.612 nan 8.150 nan 0.000 0.498 465 P HA 0.236 nan 4.420 nan 0.000 0.271 465 P C -0.390 176.915 177.300 0.009 0.000 1.216 465 P CA 0.170 63.278 63.100 0.014 0.000 0.776 465 P CB 0.940 32.648 31.700 0.013 0.000 0.881 466 E N 0.000 120.205 120.200 0.008 0.000 2.725 466 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 466 E CA 0.000 56.403 56.400 0.006 0.000 0.976 466 E CB 0.000 29.703 29.700 0.005 0.000 0.812 466 E HN 0.000 nan 8.360 nan 0.000 0.440