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 3prl_1_D DATA FIRST_RESID 9 DATA SEQUENCE QFNANILRNG EWVESRTGER ISISAPASGV ALGSIPALSQ EEVNDAIQGA DATA SEQUENCE KDAQKIWKIR PIHERVDLLY AWADLLEERK EIIGELIMHE VAKPKKSAIG DATA SEQUENCE EVSRTADIIR HTADEALRLN GETLKGDQFK GGSSKKIALV EREPLGVVLA DATA SEQUENCE ISPFNYPVNL AAAKIAPALV TGNTVVFKPA TQGSLSGIKM VEALADAGAP DATA SEQUENCE EGIIQVVTGR GSVIGDHLVE HPGIDMITFT GGTTTGERIS EKAKMIPVVL DATA SEQUENCE ELGGKDPAIV LDDADLKLTA SQIVSGAFSY SGQRCTAIKR VFVQDSVADQ DATA SEQUENCE LVANIKELVE QLTVGSPEDD ADITPVIDEK SAAFIQGLID DALENGATLL DATA SEQUENCE SGNKRQGNLL SPTLLDDVTP AMRVAWEEPF GPVLPIIRVK DANEAISLSN DATA SEQUENCE QSDYGLQASI FTKDTDRAIN IGKHLEVGTV HINAKTERGP DHFPFLGVKK DATA SEQUENCE SGLGVQGIKP SLLSMTRERV TVLNLAENLY 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 9 Q HA 0.000 nan 4.340 nan 0.000 0.214 9 Q C 0.000 176.105 176.000 0.174 0.000 1.003 9 Q CA 0.000 55.845 55.803 0.070 0.000 1.022 9 Q CB 0.000 28.758 28.738 0.033 0.000 1.108 10 F N 2.093 122.029 119.950 -0.023 0.000 2.931 10 F HA 0.474 4.993 4.527 -0.013 0.000 0.375 10 F C -1.426 174.365 175.800 -0.015 0.000 1.243 10 F CA -1.013 56.975 58.000 -0.021 0.000 1.206 10 F CB 0.828 39.818 39.000 -0.017 0.000 1.643 10 F HN 0.051 nan 8.300 nan 0.000 0.593 11 N N 4.077 122.708 118.700 -0.114 0.000 2.508 11 N HA 0.367 5.100 4.740 -0.013 0.000 0.253 11 N C -0.007 175.272 175.510 -0.384 0.000 1.145 11 N CA 0.103 53.016 53.050 -0.229 0.000 0.973 11 N CB 1.273 39.707 38.487 -0.089 0.000 1.305 11 N HN 0.557 nan 8.380 nan 0.000 0.506 12 A N 2.592 124.988 122.820 -0.707 0.000 2.316 12 A HA 0.408 4.720 4.320 -0.013 0.000 0.284 12 A C 0.463 177.901 177.584 -0.243 0.000 1.115 12 A CA -0.498 51.096 52.037 -0.738 0.000 0.812 12 A CB 0.578 18.924 19.000 -1.091 0.000 1.064 12 A HN 0.474 nan 8.150 nan 0.000 0.489 13 N N -0.618 118.044 118.700 -0.063 0.000 2.477 13 N HA 0.626 5.359 4.740 -0.013 0.000 0.284 13 N C -0.402 175.292 175.510 0.308 0.000 1.182 13 N CA -0.457 52.663 53.050 0.116 0.000 0.949 13 N CB 1.190 39.790 38.487 0.188 0.000 1.204 13 N HN 0.671 nan 8.380 nan 0.000 0.526 14 I N -1.600 119.122 120.570 0.254 0.000 2.577 14 I HA 0.543 4.706 4.170 -0.013 0.000 0.305 14 I C -0.646 175.496 176.117 0.042 0.000 0.986 14 I CA -0.936 60.485 61.300 0.201 0.000 1.189 14 I CB 0.931 38.960 38.000 0.049 0.000 1.355 14 I HN 0.214 nan 8.210 nan 0.000 0.476 15 L N 5.006 126.046 121.223 -0.304 0.000 2.264 15 L HA 0.584 4.916 4.340 -0.013 0.000 0.289 15 L C -0.352 176.298 176.870 -0.367 0.000 1.044 15 L CA 0.058 54.469 54.840 -0.715 0.000 0.807 15 L CB 0.426 41.786 42.059 -1.165 0.000 1.192 15 L HN 0.838 nan 8.230 nan 0.000 0.425 16 R N 4.167 124.484 120.500 -0.305 0.000 2.532 16 R HA 0.356 4.688 4.340 -0.013 0.000 0.297 16 R C -0.355 175.825 176.300 -0.200 0.000 0.984 16 R CA -0.523 55.455 56.100 -0.203 0.000 0.884 16 R CB 0.886 31.111 30.300 -0.124 0.000 1.182 16 R HN 0.785 nan 8.270 nan 0.000 0.442 17 N N 2.654 121.247 118.700 -0.178 0.000 2.721 17 N HA -0.228 4.504 4.740 -0.013 0.000 0.249 17 N C 0.625 176.041 175.510 -0.157 0.000 1.072 17 N CA 1.746 54.710 53.050 -0.144 0.000 0.710 17 N CB -1.079 37.351 38.487 -0.096 0.000 0.993 17 N HN 1.088 nan 8.380 nan 0.000 0.547 18 G N -0.965 107.699 108.800 -0.228 0.000 2.268 18 G HA2 -0.325 3.628 3.960 -0.013 0.000 0.240 18 G HA3 -0.325 3.628 3.960 -0.013 0.000 0.240 18 G C -0.279 174.480 174.900 -0.234 0.000 1.010 18 G CA 0.461 45.431 45.100 -0.217 0.000 0.618 18 G HN 0.674 nan 8.290 nan 0.000 0.516 19 E N -0.175 119.899 120.200 -0.209 0.000 2.156 19 E HA 0.477 4.819 4.350 -0.013 0.000 0.279 19 E C -0.802 175.683 176.600 -0.193 0.000 0.965 19 E CA -1.224 55.099 56.400 -0.129 0.000 0.789 19 E CB 0.884 30.562 29.700 -0.037 0.000 1.098 19 E HN 0.350 nan 8.360 nan 0.000 0.397 20 W N 3.735 125.033 121.300 -0.003 0.000 2.605 20 W HA 0.221 4.873 4.660 -0.013 0.000 0.327 20 W C 0.220 176.737 176.519 -0.002 0.000 1.332 20 W CA -0.399 56.947 57.345 0.002 0.000 1.403 20 W CB 0.358 29.828 29.460 0.017 0.000 1.452 20 W HN 0.377 nan 8.180 nan 0.000 0.503 21 V N 0.046 120.048 119.914 0.146 0.000 3.204 21 V HA 0.597 4.709 4.120 -0.013 0.000 0.316 21 V C -0.384 175.757 176.094 0.077 0.000 1.160 21 V CA -1.289 61.060 62.300 0.082 0.000 1.044 21 V CB 2.019 33.853 31.823 0.018 0.000 1.136 21 V HN 0.428 nan 8.190 nan 0.000 0.455 22 E N -0.187 120.038 120.200 0.042 0.000 2.320 22 E HA 0.458 4.801 4.350 -0.013 0.000 0.264 22 E C -0.718 175.886 176.600 0.007 0.000 0.923 22 E CA -0.818 55.597 56.400 0.024 0.000 0.796 22 E CB 2.378 32.088 29.700 0.017 0.000 1.262 22 E HN 0.844 nan 8.360 nan 0.000 0.428 23 S N 0.720 116.418 115.700 -0.003 0.000 2.546 23 S HA -0.002 4.460 4.470 -0.013 0.000 0.290 23 S C 1.097 175.692 174.600 -0.008 0.000 1.290 23 S CA 0.218 58.412 58.200 -0.010 0.000 1.069 23 S CB 0.306 63.497 63.200 -0.015 0.000 0.846 23 S HN 0.448 nan 8.310 nan 0.000 0.495 24 R N 1.959 122.453 120.500 -0.009 0.000 2.073 24 R HA -0.074 4.259 4.340 -0.013 0.000 0.234 24 R C 2.543 178.837 176.300 -0.009 0.000 1.134 24 R CA 1.772 57.867 56.100 -0.008 0.000 0.952 24 R CB -0.829 29.466 30.300 -0.009 0.000 0.850 24 R HN 0.713 nan 8.270 nan 0.000 0.433 25 T N -0.818 113.728 114.554 -0.013 0.000 3.026 25 T HA -0.100 4.242 4.350 -0.013 0.000 0.271 25 T C 1.404 176.097 174.700 -0.013 0.000 1.149 25 T CA 1.398 63.490 62.100 -0.014 0.000 1.088 25 T CB -0.495 68.362 68.868 -0.018 0.000 0.857 25 T HN 0.610 nan 8.240 nan 0.000 0.551 26 G N 1.050 109.843 108.800 -0.012 0.000 2.220 26 G HA2 -0.275 3.677 3.960 -0.013 0.000 0.269 26 G HA3 -0.275 3.677 3.960 -0.013 0.000 0.269 26 G C -0.112 174.779 174.900 -0.015 0.000 0.977 26 G CA 0.482 45.575 45.100 -0.012 0.000 0.634 26 G HN 0.770 nan 8.290 nan 0.000 0.539 27 E N 0.820 121.010 120.200 -0.017 0.000 2.354 27 E HA 0.619 4.962 4.350 -0.013 0.000 0.269 27 E C 0.351 176.937 176.600 -0.023 0.000 1.036 27 E CA -0.235 56.153 56.400 -0.019 0.000 0.876 27 E CB 1.233 30.922 29.700 -0.018 0.000 1.009 27 E HN 0.509 nan 8.360 nan 0.000 0.416 28 R N 1.452 121.937 120.500 -0.025 0.000 2.919 28 R HA 0.625 4.957 4.340 -0.013 0.000 0.260 28 R C -0.391 175.891 176.300 -0.030 0.000 1.067 28 R CA -1.002 55.078 56.100 -0.032 0.000 1.003 28 R CB 1.528 31.804 30.300 -0.039 0.000 1.192 28 R HN 0.491 nan 8.270 nan 0.000 0.488 29 I N 0.826 121.375 120.570 -0.035 0.000 2.439 29 I HA 0.219 4.381 4.170 -0.013 0.000 0.285 29 I C -0.355 175.742 176.117 -0.032 0.000 1.021 29 I CA -0.524 60.759 61.300 -0.029 0.000 1.091 29 I CB 2.179 40.165 38.000 -0.024 0.000 1.242 29 I HN 0.426 nan 8.210 nan 0.000 0.439 30 S N 6.436 122.120 115.700 -0.026 0.000 2.565 30 S HA 0.539 5.001 4.470 -0.013 0.000 0.276 30 S C -0.110 174.480 174.600 -0.016 0.000 1.326 30 S CA -0.274 57.912 58.200 -0.024 0.000 1.045 30 S CB 0.868 64.058 63.200 -0.018 0.000 0.918 30 S HN 0.353 nan 8.310 nan 0.000 0.505 31 I N 1.878 122.442 120.570 -0.011 0.000 2.530 31 I HA 0.381 4.543 4.170 -0.013 0.000 0.297 31 I C -0.142 175.981 176.117 0.010 0.000 1.011 31 I CA -0.328 60.974 61.300 0.004 0.000 1.107 31 I CB 2.106 40.117 38.000 0.018 0.000 1.285 31 I HN 0.477 nan 8.210 nan 0.000 0.436 32 S N 3.295 119.002 115.700 0.012 0.000 2.542 32 S HA 0.635 5.098 4.470 -0.013 0.000 0.293 32 S C -0.244 174.371 174.600 0.024 0.000 1.089 32 S CA -0.641 57.565 58.200 0.010 0.000 0.961 32 S CB 1.985 65.185 63.200 0.001 0.000 1.062 32 S HN 0.699 nan 8.310 nan 0.000 0.483 33 A N 3.296 126.133 122.820 0.027 0.000 2.524 33 A HA 0.353 4.665 4.320 -0.013 0.000 0.250 33 A C -1.784 175.824 177.584 0.040 0.000 1.078 33 A CA -0.775 51.296 52.037 0.056 0.000 0.761 33 A CB -0.349 18.687 19.000 0.060 0.000 1.012 33 A HN 0.536 nan 8.150 nan 0.000 0.500 34 P HA -0.103 nan 4.420 nan 0.000 0.219 34 P C 1.543 178.857 177.300 0.023 0.000 1.150 34 P CA 1.804 64.914 63.100 0.016 0.000 0.814 34 P CB 0.218 31.919 31.700 0.002 0.000 0.787 35 A N -1.001 121.846 122.820 0.045 0.000 1.969 35 A HA -0.082 4.231 4.320 -0.013 0.000 0.218 35 A C 2.177 179.781 177.584 0.034 0.000 1.169 35 A CA 1.972 54.034 52.037 0.042 0.000 0.635 35 A CB -0.980 18.056 19.000 0.059 0.000 0.810 35 A HN 0.149 nan 8.150 nan 0.000 0.445 36 S N -2.754 112.968 115.700 0.036 0.000 2.591 36 S HA 0.397 4.859 4.470 -0.013 0.000 0.235 36 S C 1.589 176.196 174.600 0.011 0.000 1.074 36 S CA 0.787 59.001 58.200 0.024 0.000 0.925 36 S CB 0.297 63.511 63.200 0.023 0.000 0.818 36 S HN 1.570 nan 8.310 nan 0.000 0.535 37 G N 1.275 110.081 108.800 0.009 0.000 2.176 37 G HA2 -0.244 3.708 3.960 -0.013 0.000 0.253 37 G HA3 -0.244 3.708 3.960 -0.013 0.000 0.253 37 G C 0.189 175.087 174.900 -0.003 0.000 0.979 37 G CA 0.197 45.299 45.100 0.002 0.000 0.641 37 G HN 0.455 nan 8.290 nan 0.000 0.530 38 V N 1.713 121.623 119.914 -0.007 0.000 2.637 38 V HA 0.564 4.676 4.120 -0.013 0.000 0.296 38 V C 1.287 177.367 176.094 -0.023 0.000 1.046 38 V CA 0.006 62.295 62.300 -0.019 0.000 1.066 38 V CB 1.201 33.004 31.823 -0.032 0.000 0.968 38 V HN 1.159 nan 8.190 nan 0.000 0.483 39 A N 4.890 127.697 122.820 -0.021 0.000 2.483 39 A HA 0.455 4.767 4.320 -0.013 0.000 0.238 39 A C 0.697 178.268 177.584 -0.020 0.000 1.070 39 A CA 0.091 52.119 52.037 -0.016 0.000 0.770 39 A CB 0.124 19.117 19.000 -0.012 0.000 1.008 39 A HN 0.897 nan 8.150 nan 0.000 0.497 40 L N 1.189 122.412 121.223 0.000 0.000 2.653 40 L HA 0.457 4.789 4.340 -0.013 0.000 0.230 40 L C 1.158 178.068 176.870 0.066 0.000 1.055 40 L CA 0.747 55.600 54.840 0.022 0.000 0.880 40 L CB 0.359 42.445 42.059 0.046 0.000 1.195 40 L HN 1.024 nan 8.230 nan 0.000 0.492 41 G N -0.377 108.442 108.800 0.030 0.000 2.368 41 G HA2 0.272 4.225 3.960 -0.013 0.000 0.269 41 G HA3 0.272 4.225 3.960 -0.013 0.000 0.269 41 G C -1.527 173.342 174.900 -0.052 0.000 1.291 41 G CA 0.097 45.194 45.100 -0.004 0.000 0.903 41 G HN 0.078 nan 8.290 nan 0.000 0.483 42 S N -1.281 114.346 115.700 -0.121 0.000 2.618 42 S HA 0.828 5.290 4.470 -0.013 0.000 0.277 42 S C -0.592 173.909 174.600 -0.164 0.000 1.138 42 S CA -0.243 57.892 58.200 -0.109 0.000 0.844 42 S CB 1.820 64.972 63.200 -0.080 0.000 1.127 42 S HN 1.906 nan 8.310 nan 0.000 0.474 43 I N -2.285 118.219 120.570 -0.109 0.000 2.740 43 I HA 0.755 4.917 4.170 -0.013 0.000 0.303 43 I C -3.224 172.853 176.117 -0.067 0.000 1.044 43 I CA -3.174 58.064 61.300 -0.103 0.000 1.064 43 I CB 2.147 40.103 38.000 -0.074 0.000 1.249 43 I HN 0.298 nan 8.210 nan 0.000 0.433 44 P HA 0.236 nan 4.420 nan 0.000 0.276 44 P C -0.838 176.443 177.300 -0.032 0.000 1.230 44 P CA -0.212 62.867 63.100 -0.036 0.000 0.776 44 P CB 1.116 32.803 31.700 -0.022 0.000 0.888 45 A N 4.967 127.770 122.820 -0.028 0.000 2.343 45 A HA 0.377 4.690 4.320 -0.013 0.000 0.305 45 A C 0.016 177.584 177.584 -0.026 0.000 1.308 45 A CA -0.436 51.586 52.037 -0.026 0.000 0.949 45 A CB -0.611 18.375 19.000 -0.023 0.000 1.148 45 A HN 0.513 nan 8.150 nan 0.000 0.545 46 L N 2.273 123.480 121.223 -0.027 0.000 2.421 46 L HA 0.415 4.747 4.340 -0.013 0.000 0.263 46 L C 1.131 177.979 176.870 -0.036 0.000 1.122 46 L CA -0.405 54.418 54.840 -0.029 0.000 0.804 46 L CB 1.664 43.706 42.059 -0.028 0.000 1.150 46 L HN 0.875 nan 8.230 nan 0.000 0.457 47 S N 0.102 115.777 115.700 -0.042 0.000 2.738 47 S HA 0.231 4.693 4.470 -0.013 0.000 0.284 47 S C 0.485 175.029 174.600 -0.092 0.000 1.146 47 S CA -0.727 57.437 58.200 -0.061 0.000 0.997 47 S CB 1.465 64.634 63.200 -0.051 0.000 1.081 47 S HN 0.642 nan 8.310 nan 0.000 0.553 48 Q N -0.029 119.678 119.800 -0.155 0.000 2.170 48 Q HA -0.142 4.190 4.340 -0.013 0.000 0.203 48 Q C 1.623 177.537 176.000 -0.142 0.000 0.976 48 Q CA 1.718 57.337 55.803 -0.307 0.000 0.858 48 Q CB -0.189 28.289 28.738 -0.433 0.000 0.907 48 Q HN 0.709 nan 8.270 nan 0.000 0.433 49 E N 0.872 121.032 120.200 -0.066 0.000 2.016 49 E HA -0.152 4.190 4.350 -0.013 0.000 0.190 49 E C 1.645 178.246 176.600 0.002 0.000 0.985 49 E CA 1.113 57.508 56.400 -0.007 0.000 0.802 49 E CB -0.119 29.575 29.700 -0.010 0.000 0.762 49 E HN 0.311 nan 8.360 nan 0.000 0.448 50 E N 0.241 120.431 120.200 -0.016 0.000 2.273 50 E HA -0.177 4.165 4.350 -0.013 0.000 0.198 50 E C 1.905 178.495 176.600 -0.016 0.000 1.002 50 E CA 0.987 57.376 56.400 -0.018 0.000 0.828 50 E CB -0.053 29.633 29.700 -0.024 0.000 0.747 50 E HN 0.045 nan 8.360 nan 0.000 0.491 51 V N 1.782 121.695 119.914 -0.002 0.000 2.407 51 V HA -0.198 3.914 4.120 -0.013 0.000 0.245 51 V C 1.800 177.895 176.094 0.001 0.000 1.041 51 V CA 1.442 63.751 62.300 0.016 0.000 1.040 51 V CB -0.354 31.516 31.823 0.079 0.000 0.671 51 V HN 0.291 nan 8.190 nan 0.000 0.455 52 N N 0.493 119.239 118.700 0.076 0.000 2.084 52 N HA -0.176 4.556 4.740 -0.013 0.000 0.190 52 N C 1.535 177.043 175.510 -0.003 0.000 1.030 52 N CA 1.701 54.791 53.050 0.066 0.000 0.849 52 N CB -0.527 38.087 38.487 0.211 0.000 1.012 52 N HN 0.420 nan 8.380 nan 0.000 0.423 53 D N 1.016 121.419 120.400 0.004 0.000 2.123 53 D HA -0.082 4.551 4.640 -0.013 0.000 0.196 53 D C 1.855 178.131 176.300 -0.040 0.000 0.992 53 D CA 1.280 55.271 54.000 -0.014 0.000 0.833 53 D CB -0.326 40.465 40.800 -0.015 0.000 0.954 53 D HN 0.275 nan 8.370 nan 0.000 0.455 54 A N 0.402 123.189 122.820 -0.055 0.000 1.902 54 A HA -0.126 4.186 4.320 -0.013 0.000 0.217 54 A C 2.367 179.900 177.584 -0.085 0.000 1.181 54 A CA 0.887 52.881 52.037 -0.072 0.000 0.623 54 A CB -0.681 18.277 19.000 -0.070 0.000 0.818 54 A HN 0.226 nan 8.150 nan 0.000 0.443 55 I N -0.774 119.726 120.570 -0.118 0.000 2.361 55 I HA -0.240 3.922 4.170 -0.013 0.000 0.251 55 I C 2.699 178.770 176.117 -0.078 0.000 1.133 55 I CA 1.048 62.259 61.300 -0.148 0.000 1.413 55 I CB -0.232 37.555 38.000 -0.354 0.000 1.073 55 I HN 0.310 nan 8.210 nan 0.000 0.424 56 Q N 0.548 120.319 119.800 -0.048 0.000 2.083 56 Q HA -0.056 4.276 4.340 -0.013 0.000 0.198 56 Q C 2.326 178.312 176.000 -0.023 0.000 0.969 56 Q CA 1.615 57.410 55.803 -0.015 0.000 0.838 56 Q CB -0.706 28.034 28.738 0.004 0.000 0.900 56 Q HN 0.537 nan 8.270 nan 0.000 0.436 57 G N 0.504 109.280 108.800 -0.039 0.000 2.442 57 G HA2 -0.213 3.739 3.960 -0.013 0.000 0.219 57 G HA3 -0.213 3.739 3.960 -0.013 0.000 0.219 57 G C 1.501 176.370 174.900 -0.052 0.000 1.141 57 G CA 1.210 46.281 45.100 -0.048 0.000 0.763 57 G HN 0.455 nan 8.290 nan 0.000 0.554 58 A N 0.354 123.140 122.820 -0.057 0.000 1.930 58 A HA 0.081 4.393 4.320 -0.013 0.000 0.217 58 A C 2.223 179.793 177.584 -0.024 0.000 1.175 58 A CA 1.942 53.946 52.037 -0.056 0.000 0.627 58 A CB -0.326 18.638 19.000 -0.059 0.000 0.815 58 A HN 0.366 nan 8.150 nan 0.000 0.443 59 K N -0.570 119.823 120.400 -0.012 0.000 2.097 59 K HA -0.144 4.168 4.320 -0.013 0.000 0.205 59 K C 1.130 177.738 176.600 0.014 0.000 1.050 59 K CA 1.486 57.778 56.287 0.008 0.000 0.938 59 K CB -0.061 32.446 32.500 0.012 0.000 0.718 59 K HN 0.390 nan 8.250 nan 0.000 0.442 60 D N -0.039 120.365 120.400 0.005 0.000 2.162 60 D HA -0.067 4.565 4.640 -0.013 0.000 0.203 60 D C 1.641 177.952 176.300 0.019 0.000 0.967 60 D CA 1.071 55.077 54.000 0.010 0.000 0.840 60 D CB -0.068 40.733 40.800 0.002 0.000 0.972 60 D HN 0.226 nan 8.370 nan 0.000 0.482 61 A N 0.881 123.706 122.820 0.009 0.000 2.014 61 A HA -0.177 4.136 4.320 -0.013 0.000 0.218 61 A C 2.100 179.734 177.584 0.084 0.000 1.163 61 A CA 1.533 53.584 52.037 0.024 0.000 0.652 61 A CB -0.520 18.461 19.000 -0.032 0.000 0.808 61 A HN 0.165 nan 8.150 nan 0.000 0.449 62 Q N 0.969 120.813 119.800 0.072 0.000 2.152 62 Q HA -0.222 4.111 4.340 -0.013 0.000 0.206 62 Q C 1.640 177.715 176.000 0.125 0.000 0.985 62 Q CA 2.501 58.377 55.803 0.122 0.000 0.863 62 Q CB -0.401 28.383 28.738 0.077 0.000 0.904 62 Q HN 0.670 nan 8.270 nan 0.000 0.422 63 K N -0.614 119.835 120.400 0.080 0.000 2.296 63 K HA 0.039 4.352 4.320 -0.013 0.000 0.200 63 K C 1.932 178.567 176.600 0.059 0.000 1.048 63 K CA 1.054 57.375 56.287 0.057 0.000 0.966 63 K CB 0.128 32.649 32.500 0.036 0.000 0.754 63 K HN 0.285 nan 8.250 nan 0.000 0.466 64 I N 0.128 120.751 120.570 0.088 0.000 2.385 64 I HA -0.161 4.002 4.170 -0.013 0.000 0.244 64 I C 2.353 178.550 176.117 0.134 0.000 1.089 64 I CA 0.645 61.999 61.300 0.091 0.000 1.410 64 I CB -0.209 37.844 38.000 0.089 0.000 1.117 64 I HN 0.318 nan 8.210 nan 0.000 0.429 65 W N 3.652 124.937 121.300 -0.025 0.000 2.318 65 W HA -0.316 4.337 4.660 -0.012 0.000 0.313 65 W C 2.408 178.912 176.519 -0.025 0.000 1.221 65 W CA 2.265 59.593 57.345 -0.028 0.000 1.266 65 W CB -0.041 29.402 29.460 -0.028 0.000 1.150 65 W HN 0.184 nan 8.180 nan 0.000 0.496 66 K N 1.052 121.439 120.400 -0.022 0.000 2.209 66 K HA -0.200 4.112 4.320 -0.013 0.000 0.204 66 K C 1.686 178.177 176.600 -0.182 0.000 1.048 66 K CA 2.229 58.435 56.287 -0.135 0.000 0.940 66 K CB -0.989 31.508 32.500 -0.004 0.000 0.729 66 K HN 0.441 nan 8.250 nan 0.000 0.451 67 I N -1.616 118.871 120.570 -0.137 0.000 3.793 67 I HA 0.180 4.342 4.170 -0.013 0.000 0.315 67 I C -0.054 175.957 176.117 -0.176 0.000 1.275 67 I CA -0.871 60.354 61.300 -0.124 0.000 1.214 67 I CB 0.056 38.019 38.000 -0.063 0.000 1.018 67 I HN -0.106 nan 8.210 nan 0.000 0.439 68 R N 2.920 123.251 120.500 -0.282 0.000 2.537 68 R HA 0.266 4.598 4.340 -0.013 0.000 0.280 68 R C -2.237 173.850 176.300 -0.355 0.000 1.058 68 R CA -1.804 54.096 56.100 -0.333 0.000 1.057 68 R CB -0.621 29.383 30.300 -0.492 0.000 0.973 68 R HN 0.030 nan 8.270 nan 0.000 0.438 69 P HA -0.099 nan 4.420 nan 0.000 0.260 69 P C 1.118 178.178 177.300 -0.400 0.000 1.172 69 P CA 0.179 63.083 63.100 -0.327 0.000 0.760 69 P CB 0.245 31.696 31.700 -0.415 0.000 0.773 70 I N 5.119 125.539 120.570 -0.249 0.000 2.181 70 I HA -0.361 3.801 4.170 -0.013 0.000 0.247 70 I C 2.148 178.180 176.117 -0.142 0.000 1.081 70 I CA 2.165 63.353 61.300 -0.186 0.000 1.340 70 I CB -0.628 37.320 38.000 -0.086 0.000 1.036 70 I HN 0.554 nan 8.210 nan 0.000 0.417 71 H N -0.173 118.853 119.070 -0.075 0.000 2.422 71 H HA -0.135 4.414 4.556 -0.013 0.000 0.298 71 H C 1.848 177.150 175.328 -0.043 0.000 1.098 71 H CA 1.965 57.981 56.048 -0.054 0.000 1.315 71 H CB -0.950 28.780 29.762 -0.053 0.000 1.382 71 H HN 0.560 nan 8.280 nan 0.000 0.523 72 E N 0.475 120.377 120.200 -0.497 0.000 2.152 72 E HA -0.068 4.274 4.350 -0.013 0.000 0.192 72 E C 2.252 178.784 176.600 -0.114 0.000 0.983 72 E CA 0.510 56.753 56.400 -0.263 0.000 0.818 72 E CB 0.038 29.527 29.700 -0.350 0.000 0.758 72 E HN 0.560 nan 8.360 nan 0.000 0.467 73 R N 0.526 120.889 120.500 -0.229 0.000 2.090 73 R HA -0.087 4.245 4.340 -0.013 0.000 0.228 73 R C 2.685 179.087 176.300 0.170 0.000 1.110 73 R CA 1.356 57.400 56.100 -0.093 0.000 0.973 73 R CB -0.403 29.707 30.300 -0.317 0.000 0.869 73 R HN 0.184 nan 8.270 nan 0.000 0.440 74 V N -0.517 119.466 119.914 0.114 0.000 2.548 74 V HA -0.126 3.987 4.120 -0.013 0.000 0.249 74 V C 1.373 177.616 176.094 0.248 0.000 1.055 74 V CA 1.748 64.165 62.300 0.195 0.000 1.065 74 V CB -0.257 31.657 31.823 0.152 0.000 0.681 74 V HN 0.061 nan 8.190 nan 0.000 0.462 75 D N 0.606 121.115 120.400 0.181 0.000 2.144 75 D HA -0.125 4.507 4.640 -0.013 0.000 0.199 75 D C 2.038 178.484 176.300 0.242 0.000 0.984 75 D CA 1.731 55.839 54.000 0.180 0.000 0.834 75 D CB -0.115 40.767 40.800 0.137 0.000 0.955 75 D HN 0.525 nan 8.370 nan 0.000 0.465 76 L N 0.541 121.919 121.223 0.259 0.000 2.083 76 L HA -0.138 4.194 4.340 -0.013 0.000 0.209 76 L C 2.010 179.069 176.870 0.315 0.000 1.083 76 L CA 1.241 56.240 54.840 0.264 0.000 0.752 76 L CB -0.467 41.767 42.059 0.292 0.000 0.899 76 L HN -0.085 nan 8.230 nan 0.000 0.433 77 L N -1.731 119.704 121.223 0.353 0.000 2.005 77 L HA -0.193 4.139 4.340 -0.013 0.000 0.207 77 L C 2.323 179.367 176.870 0.290 0.000 1.072 77 L CA 1.758 56.825 54.840 0.379 0.000 0.744 77 L CB -1.173 41.076 42.059 0.316 0.000 0.895 77 L HN 0.201 nan 8.230 nan 0.000 0.433 78 Y N -0.349 120.040 120.300 0.148 0.000 2.114 78 Y HA -0.345 4.197 4.550 -0.013 0.000 0.282 78 Y C 2.493 178.461 175.900 0.113 0.000 1.165 78 Y CA 1.737 59.896 58.100 0.098 0.000 1.148 78 Y CB -0.812 37.693 38.460 0.075 0.000 0.972 78 Y HN 0.202 nan 8.280 nan 0.000 0.504 79 A N -0.889 122.107 122.820 0.292 0.000 1.902 79 A HA -0.253 4.059 4.320 -0.013 0.000 0.217 79 A C 2.003 179.738 177.584 0.251 0.000 1.181 79 A CA 1.653 53.826 52.037 0.227 0.000 0.623 79 A CB -1.399 17.721 19.000 0.199 0.000 0.818 79 A HN 0.722 nan 8.150 nan 0.000 0.443 80 W N 0.829 122.163 121.300 0.057 0.000 2.355 80 W HA -0.076 4.576 4.660 -0.013 0.000 0.309 80 W C 2.432 178.951 176.519 0.001 0.000 1.206 80 W CA 1.526 58.887 57.345 0.027 0.000 1.284 80 W CB -0.750 28.722 29.460 0.020 0.000 1.145 80 W HN 0.365 nan 8.180 nan 0.000 0.502 81 A N 0.572 123.363 122.820 -0.048 0.000 1.883 81 A HA -0.241 4.072 4.320 -0.013 0.000 0.217 81 A C 1.772 179.284 177.584 -0.121 0.000 1.186 81 A CA 2.270 54.161 52.037 -0.244 0.000 0.624 81 A CB -1.084 17.742 19.000 -0.290 0.000 0.822 81 A HN 0.303 nan 8.150 nan 0.000 0.444 82 D N 0.362 120.750 120.400 -0.020 0.000 2.092 82 D HA -0.156 4.477 4.640 -0.013 0.000 0.193 82 D C 1.933 178.245 176.300 0.020 0.000 0.994 82 D CA 1.281 55.288 54.000 0.012 0.000 0.828 82 D CB -0.529 40.310 40.800 0.065 0.000 0.963 82 D HN 0.462 nan 8.370 nan 0.000 0.450 83 L N 0.146 121.408 121.223 0.065 0.000 2.083 83 L HA -0.120 4.212 4.340 -0.013 0.000 0.209 83 L C 2.544 179.440 176.870 0.045 0.000 1.083 83 L CA 0.600 55.485 54.840 0.076 0.000 0.752 83 L CB -0.435 41.707 42.059 0.138 0.000 0.899 83 L HN 0.064 nan 8.230 nan 0.000 0.433 84 L N -0.225 121.001 121.223 0.005 0.000 2.005 84 L HA -0.224 4.109 4.340 -0.013 0.000 0.207 84 L C 2.640 179.476 176.870 -0.057 0.000 1.072 84 L CA 1.419 56.231 54.840 -0.046 0.000 0.744 84 L CB -0.554 41.401 42.059 -0.174 0.000 0.895 84 L HN 0.296 nan 8.230 nan 0.000 0.433 85 E N 0.570 120.726 120.200 -0.073 0.000 2.070 85 E HA -0.333 4.009 4.350 -0.013 0.000 0.197 85 E C 2.090 178.668 176.600 -0.036 0.000 1.004 85 E CA 1.830 58.193 56.400 -0.062 0.000 0.805 85 E CB -0.057 29.605 29.700 -0.064 0.000 0.744 85 E HN 0.442 nan 8.360 nan 0.000 0.451 86 E N 0.169 120.357 120.200 -0.020 0.000 2.097 86 E HA -0.222 4.120 4.350 -0.013 0.000 0.196 86 E C 1.275 177.867 176.600 -0.014 0.000 1.000 86 E CA 1.218 57.612 56.400 -0.009 0.000 0.804 86 E CB 0.038 29.742 29.700 0.006 0.000 0.740 86 E HN 0.163 nan 8.360 nan 0.000 0.454 87 R N 0.125 120.616 120.500 -0.014 0.000 2.568 87 R HA 0.153 4.485 4.340 -0.013 0.000 0.288 87 R C 1.509 177.792 176.300 -0.029 0.000 1.077 87 R CA -0.246 55.842 56.100 -0.019 0.000 1.102 87 R CB 0.293 30.586 30.300 -0.012 0.000 1.278 87 R HN 0.058 nan 8.270 nan 0.000 0.560 88 K N 1.229 121.609 120.400 -0.034 0.000 2.049 88 K HA -0.282 4.031 4.320 -0.013 0.000 0.219 88 K C 1.168 177.744 176.600 -0.039 0.000 1.056 88 K CA 2.020 58.283 56.287 -0.040 0.000 0.946 88 K CB 0.155 32.631 32.500 -0.040 0.000 0.723 88 K HN 0.118 nan 8.250 nan 0.000 0.453 89 E N 0.119 120.298 120.200 -0.035 0.000 2.112 89 E HA -0.025 4.317 4.350 -0.013 0.000 0.190 89 E C 1.909 178.487 176.600 -0.035 0.000 0.979 89 E CA 0.677 57.056 56.400 -0.035 0.000 0.814 89 E CB 0.055 29.737 29.700 -0.030 0.000 0.762 89 E HN 0.286 nan 8.360 nan 0.000 0.460 90 I N 0.282 120.830 120.570 -0.038 0.000 2.162 90 I HA -0.219 3.943 4.170 -0.013 0.000 0.238 90 I C 2.089 178.176 176.117 -0.049 0.000 1.076 90 I CA 0.972 62.243 61.300 -0.048 0.000 1.353 90 I CB -0.233 37.730 38.000 -0.063 0.000 1.063 90 I HN 0.068 nan 8.210 nan 0.000 0.408 91 I N 0.736 121.282 120.570 -0.041 0.000 2.142 91 I HA -0.206 3.956 4.170 -0.013 0.000 0.240 91 I C 2.763 178.868 176.117 -0.021 0.000 1.078 91 I CA 1.651 62.935 61.300 -0.026 0.000 1.343 91 I CB -1.223 36.771 38.000 -0.010 0.000 1.046 91 I HN 0.291 nan 8.210 nan 0.000 0.405 92 G N 1.773 110.554 108.800 -0.033 0.000 2.513 92 G HA2 -0.364 3.588 3.960 -0.013 0.000 0.219 92 G HA3 -0.364 3.588 3.960 -0.013 0.000 0.219 92 G C 1.411 176.280 174.900 -0.052 0.000 1.160 92 G CA 1.581 46.654 45.100 -0.045 0.000 0.767 92 G HN 0.602 nan 8.290 nan 0.000 0.571 93 E N 0.357 120.528 120.200 -0.047 0.000 2.118 93 E HA -0.106 4.236 4.350 -0.013 0.000 0.195 93 E C 2.257 178.856 176.600 -0.001 0.000 0.992 93 E CA 1.154 57.520 56.400 -0.057 0.000 0.804 93 E CB -0.702 28.990 29.700 -0.014 0.000 0.741 93 E HN 0.369 nan 8.360 nan 0.000 0.458 94 L N 0.470 121.717 121.223 0.040 0.000 2.017 94 L HA -0.037 4.295 4.340 -0.013 0.000 0.208 94 L C 2.354 179.277 176.870 0.089 0.000 1.073 94 L CA 1.625 56.522 54.840 0.094 0.000 0.745 94 L CB -0.371 41.717 42.059 0.049 0.000 0.894 94 L HN 0.233 nan 8.230 nan 0.000 0.432 95 I N -0.629 119.964 120.570 0.038 0.000 2.118 95 I HA -0.409 3.754 4.170 -0.013 0.000 0.241 95 I C 2.618 178.735 176.117 0.001 0.000 1.070 95 I CA 2.175 63.488 61.300 0.021 0.000 1.327 95 I CB -0.494 37.492 38.000 -0.023 0.000 1.034 95 I HN 0.405 nan 8.210 nan 0.000 0.405 96 M N -0.295 119.267 119.600 -0.062 0.000 2.108 96 M HA -0.227 4.245 4.480 -0.013 0.000 0.261 96 M C 2.100 178.364 176.300 -0.060 0.000 1.066 96 M CA 2.051 57.291 55.300 -0.099 0.000 1.107 96 M CB -1.297 31.197 32.600 -0.177 0.000 1.356 96 M HN 0.160 nan 8.290 nan 0.000 0.406 97 H N 0.049 119.138 119.070 0.032 0.000 2.299 97 H HA -0.023 4.526 4.556 -0.013 0.000 0.302 97 H C 2.242 177.603 175.328 0.054 0.000 1.078 97 H CA 1.814 57.885 56.048 0.039 0.000 1.323 97 H CB -0.037 29.745 29.762 0.034 0.000 1.381 97 H HN 0.526 nan 8.280 nan 0.000 0.498 98 E N 0.615 120.933 120.200 0.196 0.000 2.077 98 E HA -0.124 4.219 4.350 -0.013 0.000 0.193 98 E C 1.494 178.176 176.600 0.137 0.000 0.989 98 E CA 1.619 58.109 56.400 0.151 0.000 0.800 98 E CB 0.267 30.057 29.700 0.149 0.000 0.746 98 E HN 0.406 nan 8.360 nan 0.000 0.452 99 V N -3.654 116.355 119.914 0.158 0.000 3.427 99 V HA 0.557 4.670 4.120 -0.013 0.000 0.305 99 V C 0.487 176.740 176.094 0.266 0.000 1.412 99 V CA 0.287 62.726 62.300 0.231 0.000 1.086 99 V CB 0.133 32.154 31.823 0.329 0.000 0.964 99 V HN 0.188 nan 8.190 nan 0.000 0.439 100 A N 0.352 123.278 122.820 0.177 0.000 2.791 100 A HA -0.275 4.038 4.320 -0.013 0.000 0.292 100 A C 0.461 178.192 177.584 0.245 0.000 1.487 100 A CA 1.562 53.696 52.037 0.162 0.000 0.760 100 A CB -2.177 16.895 19.000 0.121 0.000 1.031 100 A HN 0.957 nan 8.150 nan 0.000 0.503 101 K N 0.144 120.641 120.400 0.161 0.000 2.201 101 K HA 0.507 4.819 4.320 -0.013 0.000 0.278 101 K C -2.580 174.024 176.600 0.007 0.000 1.027 101 K CA -2.334 53.994 56.287 0.069 0.000 0.909 101 K CB 0.846 33.188 32.500 -0.263 0.000 1.062 101 K HN 0.141 nan 8.250 nan 0.000 0.465 102 P HA -0.154 nan 4.420 nan 0.000 0.261 102 P C -0.001 177.269 177.300 -0.050 0.000 1.165 102 P CA 0.308 63.406 63.100 -0.003 0.000 0.759 102 P CB 0.642 32.350 31.700 0.014 0.000 0.772 103 K N 4.456 124.820 120.400 -0.059 0.000 2.015 103 K HA -0.254 4.058 4.320 -0.013 0.000 0.216 103 K C 1.383 177.942 176.600 -0.069 0.000 1.052 103 K CA 1.950 58.190 56.287 -0.078 0.000 0.937 103 K CB -0.130 32.326 32.500 -0.074 0.000 0.719 103 K HN 0.297 nan 8.250 nan 0.000 0.446 104 K N 0.027 120.395 120.400 -0.054 0.000 2.155 104 K HA -0.065 4.248 4.320 -0.013 0.000 0.203 104 K C 2.293 178.860 176.600 -0.056 0.000 1.052 104 K CA 1.129 57.386 56.287 -0.050 0.000 0.948 104 K CB -0.061 32.416 32.500 -0.038 0.000 0.728 104 K HN 0.122 nan 8.250 nan 0.000 0.448 105 S N 0.599 116.262 115.700 -0.062 0.000 2.406 105 S HA -0.059 4.403 4.470 -0.013 0.000 0.228 105 S C 1.962 176.498 174.600 -0.107 0.000 1.020 105 S CA 0.979 59.132 58.200 -0.078 0.000 0.965 105 S CB -0.039 63.111 63.200 -0.083 0.000 0.798 105 S HN 0.362 nan 8.310 nan 0.000 0.488 106 A N 1.183 123.936 122.820 -0.113 0.000 1.929 106 A HA 0.127 4.439 4.320 -0.013 0.000 0.216 106 A C 1.986 179.519 177.584 -0.084 0.000 1.176 106 A CA 1.107 53.073 52.037 -0.118 0.000 0.628 106 A CB -0.608 18.324 19.000 -0.112 0.000 0.816 106 A HN 0.602 nan 8.150 nan 0.000 0.444 107 I N -0.059 120.468 120.570 -0.073 0.000 2.315 107 I HA -0.151 4.011 4.170 -0.013 0.000 0.248 107 I C 2.625 178.705 176.117 -0.061 0.000 1.117 107 I CA 1.045 62.308 61.300 -0.061 0.000 1.404 107 I CB -0.535 37.432 38.000 -0.055 0.000 1.071 107 I HN 0.353 nan 8.210 nan 0.000 0.419 108 G N 0.358 109.120 108.800 -0.062 0.000 2.432 108 G HA2 -0.288 3.665 3.960 -0.013 0.000 0.219 108 G HA3 -0.288 3.665 3.960 -0.013 0.000 0.219 108 G C 1.544 176.408 174.900 -0.060 0.000 1.135 108 G CA 0.878 45.942 45.100 -0.059 0.000 0.767 108 G HN 0.494 nan 8.290 nan 0.000 0.550 109 E N 0.099 120.265 120.200 -0.057 0.000 2.077 109 E HA -0.121 4.221 4.350 -0.013 0.000 0.193 109 E C 2.584 179.149 176.600 -0.058 0.000 0.989 109 E CA 1.310 57.687 56.400 -0.039 0.000 0.800 109 E CB -0.084 29.594 29.700 -0.037 0.000 0.746 109 E HN 0.270 nan 8.360 nan 0.000 0.452 110 V N 0.714 120.590 119.914 -0.065 0.000 2.343 110 V HA -0.236 3.876 4.120 -0.013 0.000 0.247 110 V C 2.430 178.461 176.094 -0.105 0.000 1.051 110 V CA 1.838 64.089 62.300 -0.081 0.000 1.036 110 V CB -0.632 31.152 31.823 -0.064 0.000 0.654 110 V HN 0.231 nan 8.190 nan 0.000 0.451 111 S N -0.183 115.463 115.700 -0.090 0.000 2.353 111 S HA -0.264 4.199 4.470 -0.013 0.000 0.222 111 S C 2.135 176.666 174.600 -0.115 0.000 1.035 111 S CA 2.033 60.175 58.200 -0.096 0.000 1.025 111 S CB -0.422 62.731 63.200 -0.077 0.000 0.902 111 S HN 0.563 nan 8.310 nan 0.000 0.440 112 R N 0.655 121.089 120.500 -0.109 0.000 2.096 112 R HA -0.084 4.248 4.340 -0.013 0.000 0.235 112 R C 2.215 178.424 176.300 -0.153 0.000 1.127 112 R CA 1.638 57.664 56.100 -0.123 0.000 0.968 112 R CB -0.561 29.673 30.300 -0.111 0.000 0.861 112 R HN 0.312 nan 8.270 nan 0.000 0.440 113 T N 0.472 114.930 114.554 -0.161 0.000 2.684 113 T HA -0.166 4.176 4.350 -0.013 0.000 0.267 113 T C 1.765 176.293 174.700 -0.286 0.000 1.036 113 T CA 1.582 63.554 62.100 -0.214 0.000 1.148 113 T CB -0.329 68.414 68.868 -0.209 0.000 0.863 113 T HN 0.482 nan 8.240 nan 0.000 0.436 114 A N 1.663 124.315 122.820 -0.279 0.000 1.972 114 A HA -0.144 4.168 4.320 -0.013 0.000 0.219 114 A C 2.071 179.502 177.584 -0.256 0.000 1.169 114 A CA 1.731 53.584 52.037 -0.307 0.000 0.635 114 A CB -0.574 18.280 19.000 -0.244 0.000 0.810 114 A HN 0.364 nan 8.150 nan 0.000 0.446 115 D N -0.021 120.261 120.400 -0.196 0.000 2.117 115 D HA -0.100 4.533 4.640 -0.013 0.000 0.197 115 D C 1.774 177.990 176.300 -0.139 0.000 0.987 115 D CA 1.090 54.996 54.000 -0.157 0.000 0.829 115 D CB -0.300 40.419 40.800 -0.136 0.000 0.961 115 D HN 0.524 nan 8.370 nan 0.000 0.460 116 I N 0.486 120.961 120.570 -0.158 0.000 2.315 116 I HA -0.188 3.975 4.170 -0.013 0.000 0.248 116 I C 2.276 178.329 176.117 -0.106 0.000 1.117 116 I CA 0.614 61.842 61.300 -0.121 0.000 1.404 116 I CB -0.009 37.907 38.000 -0.140 0.000 1.071 116 I HN -0.060 nan 8.210 nan 0.000 0.419 117 I N 0.142 120.590 120.570 -0.203 0.000 2.252 117 I HA -0.249 3.913 4.170 -0.013 0.000 0.245 117 I C 2.648 178.664 176.117 -0.168 0.000 1.102 117 I CA 1.250 62.425 61.300 -0.209 0.000 1.385 117 I CB -0.355 37.391 38.000 -0.423 0.000 1.064 117 I HN 0.128 nan 8.210 nan 0.000 0.414 118 R N -0.457 119.882 120.500 -0.268 0.000 2.075 118 R HA -0.181 4.152 4.340 -0.013 0.000 0.232 118 R C 2.305 178.531 176.300 -0.124 0.000 1.126 118 R CA 1.486 57.328 56.100 -0.430 0.000 0.963 118 R CB -0.598 29.335 30.300 -0.613 0.000 0.858 118 R HN 0.402 nan 8.270 nan 0.000 0.435 119 H N 0.206 119.206 119.070 -0.117 0.000 2.423 119 H HA -0.026 4.522 4.556 -0.013 0.000 0.297 119 H C 1.746 177.081 175.328 0.011 0.000 1.075 119 H CA 1.862 57.889 56.048 -0.036 0.000 1.342 119 H CB 0.209 29.937 29.762 -0.055 0.000 1.395 119 H HN 0.034 nan 8.280 nan 0.000 0.530 120 T N -0.118 114.507 114.554 0.118 0.000 2.737 120 T HA -0.150 4.192 4.350 -0.013 0.000 0.265 120 T C 2.241 176.995 174.700 0.089 0.000 1.038 120 T CA 1.158 63.317 62.100 0.099 0.000 1.144 120 T CB -0.641 68.275 68.868 0.080 0.000 0.866 120 T HN 0.528 nan 8.240 nan 0.000 0.434 121 A N 2.526 125.408 122.820 0.104 0.000 1.873 121 A HA -0.228 4.084 4.320 -0.013 0.000 0.218 121 A C 2.082 179.750 177.584 0.140 0.000 1.193 121 A CA 2.103 54.241 52.037 0.168 0.000 0.629 121 A CB -0.845 18.329 19.000 0.291 0.000 0.826 121 A HN 0.472 nan 8.150 nan 0.000 0.447 122 D N -0.824 119.647 120.400 0.119 0.000 2.144 122 D HA -0.143 4.489 4.640 -0.013 0.000 0.199 122 D C 1.821 178.109 176.300 -0.020 0.000 0.984 122 D CA 1.590 55.612 54.000 0.037 0.000 0.834 122 D CB -0.386 40.393 40.800 -0.035 0.000 0.955 122 D HN 0.590 nan 8.370 nan 0.000 0.465 123 E N 1.074 121.252 120.200 -0.037 0.000 2.150 123 E HA -0.075 4.267 4.350 -0.013 0.000 0.193 123 E C 1.929 178.546 176.600 0.028 0.000 0.985 123 E CA 1.096 57.493 56.400 -0.006 0.000 0.814 123 E CB -0.205 29.517 29.700 0.038 0.000 0.752 123 E HN 0.199 nan 8.360 nan 0.000 0.466 124 A N 0.370 123.217 122.820 0.045 0.000 1.898 124 A HA -0.102 4.210 4.320 -0.013 0.000 0.216 124 A C 2.178 179.780 177.584 0.030 0.000 1.181 124 A CA 1.075 53.140 52.037 0.047 0.000 0.620 124 A CB -0.689 18.350 19.000 0.064 0.000 0.819 124 A HN 0.338 nan 8.150 nan 0.000 0.442 125 L N -1.424 119.817 121.223 0.029 0.000 2.351 125 L HA -0.165 4.168 4.340 -0.013 0.000 0.220 125 L C 2.092 178.968 176.870 0.009 0.000 1.127 125 L CA 1.190 56.040 54.840 0.018 0.000 0.786 125 L CB -0.256 41.812 42.059 0.014 0.000 0.914 125 L HN 0.342 nan 8.230 nan 0.000 0.443 126 R N -0.728 119.778 120.500 0.010 0.000 2.509 126 R HA 0.244 4.576 4.340 -0.013 0.000 0.300 126 R C -0.087 176.221 176.300 0.014 0.000 0.985 126 R CA -0.183 55.922 56.100 0.008 0.000 1.092 126 R CB 0.369 30.671 30.300 0.004 0.000 1.237 126 R HN 0.183 nan 8.270 nan 0.000 0.546 127 L N 2.496 123.729 121.223 0.016 0.000 2.404 127 L HA 0.184 4.517 4.340 -0.013 0.000 0.277 127 L C -0.389 176.487 176.870 0.011 0.000 1.184 127 L CA -0.295 54.556 54.840 0.017 0.000 1.013 127 L CB -0.338 41.734 42.059 0.021 0.000 1.318 127 L HN 0.096 nan 8.230 nan 0.000 0.435 128 N N 1.778 120.484 118.700 0.010 0.000 2.530 128 N HA 0.295 5.028 4.740 -0.013 0.000 0.277 128 N C 0.455 175.969 175.510 0.006 0.000 1.168 128 N CA -0.087 52.967 53.050 0.006 0.000 0.979 128 N CB 1.607 40.098 38.487 0.006 0.000 1.141 128 N HN 0.510 nan 8.380 nan 0.000 0.459 129 G N -0.259 108.543 108.800 0.003 0.000 2.580 129 G HA2 0.419 4.372 3.960 -0.013 0.000 0.278 129 G HA3 0.419 4.372 3.960 -0.013 0.000 0.278 129 G C -0.474 174.428 174.900 0.003 0.000 1.212 129 G CA -0.404 44.698 45.100 0.002 0.000 0.939 129 G HN 0.656 nan 8.290 nan 0.000 0.513 130 E N -1.531 118.670 120.200 0.003 0.000 2.369 130 E HA 0.609 4.951 4.350 -0.013 0.000 0.270 130 E C -1.067 175.534 176.600 0.003 0.000 0.909 130 E CA -0.960 55.442 56.400 0.004 0.000 0.775 130 E CB 1.914 31.617 29.700 0.005 0.000 1.270 130 E HN 0.525 nan 8.360 nan 0.000 0.445 131 T N -0.258 114.298 114.554 0.004 0.000 2.863 131 T HA 0.665 5.007 4.350 -0.013 0.000 0.285 131 T C -0.325 174.379 174.700 0.007 0.000 1.009 131 T CA -0.869 61.233 62.100 0.004 0.000 0.989 131 T CB 0.696 69.566 68.868 0.003 0.000 1.004 131 T HN 0.438 nan 8.240 nan 0.000 0.455 132 L N 1.980 123.208 121.223 0.007 0.000 2.370 132 L HA 0.672 5.004 4.340 -0.013 0.000 0.266 132 L C -0.165 176.713 176.870 0.014 0.000 1.002 132 L CA -1.338 53.510 54.840 0.012 0.000 0.818 132 L CB 2.153 44.218 42.059 0.010 0.000 1.325 132 L HN 0.488 nan 8.230 nan 0.000 0.418 133 K N 0.814 121.227 120.400 0.022 0.000 2.156 133 K HA 0.365 4.677 4.320 -0.013 0.000 0.254 133 K C 0.851 177.473 176.600 0.036 0.000 0.950 133 K CA -0.425 55.877 56.287 0.024 0.000 0.849 133 K CB 2.098 34.612 32.500 0.023 0.000 1.100 133 K HN 0.794 nan 8.250 nan 0.000 0.434 134 G N 1.652 110.473 108.800 0.035 0.000 2.442 134 G HA2 -0.249 3.704 3.960 -0.013 0.000 0.219 134 G HA3 -0.249 3.704 3.960 -0.013 0.000 0.219 134 G C 0.752 175.701 174.900 0.082 0.000 1.141 134 G CA 0.916 46.046 45.100 0.050 0.000 0.763 134 G HN 0.731 nan 8.290 nan 0.000 0.554 135 D N 0.339 120.777 120.400 0.063 0.000 2.336 135 D HA -0.028 4.604 4.640 -0.013 0.000 0.229 135 D C 1.810 178.149 176.300 0.065 0.000 1.061 135 D CA 0.121 54.158 54.000 0.063 0.000 0.875 135 D CB -0.426 40.396 40.800 0.036 0.000 0.904 135 D HN 0.381 nan 8.370 nan 0.000 0.525 136 Q N -0.808 119.042 119.800 0.083 0.000 2.488 136 Q HA 0.045 4.378 4.340 -0.013 0.000 0.211 136 Q C -0.321 175.766 176.000 0.145 0.000 0.967 136 Q CA 0.371 56.226 55.803 0.087 0.000 0.926 136 Q CB 0.066 28.850 28.738 0.077 0.000 0.992 136 Q HN 0.325 nan 8.270 nan 0.000 0.506 137 F N 0.753 120.702 119.950 -0.000 0.000 2.520 137 F HA 0.290 4.808 4.527 -0.014 0.000 0.322 137 F C -0.350 175.450 175.800 -0.000 0.000 1.103 137 F CA -1.445 56.555 58.000 -0.000 0.000 0.926 137 F CB 1.188 40.188 39.000 -0.000 0.000 1.154 137 F HN -0.379 nan 8.300 nan 0.000 0.453 138 K N 3.806 123.866 120.400 -0.566 0.000 2.466 138 K HA 0.280 4.592 4.320 -0.013 0.000 0.278 138 K C 0.990 177.518 176.600 -0.119 0.000 1.048 138 K CA 1.464 57.552 56.287 -0.332 0.000 1.088 138 K CB -0.150 32.104 32.500 -0.410 0.000 0.884 138 K HN 1.091 nan 8.250 nan 0.000 0.478 139 G N 2.601 111.387 108.800 -0.022 0.000 2.225 139 G HA2 -0.257 3.695 3.960 -0.013 0.000 0.254 139 G HA3 -0.257 3.695 3.960 -0.013 0.000 0.254 139 G C 0.459 175.409 174.900 0.083 0.000 0.988 139 G CA 0.010 45.132 45.100 0.036 0.000 0.625 139 G HN 0.971 nan 8.290 nan 0.000 0.527 140 G N 0.044 108.922 108.800 0.131 0.000 2.594 140 G HA2 0.462 4.414 3.960 -0.013 0.000 0.243 140 G HA3 0.462 4.414 3.960 -0.013 0.000 0.243 140 G C 0.342 175.286 174.900 0.072 0.000 1.229 140 G CA 1.028 46.206 45.100 0.130 0.000 0.843 140 G HN 1.146 nan 8.290 nan 0.000 0.578 141 S N -0.358 115.376 115.700 0.056 0.000 2.489 141 S HA 0.231 4.694 4.470 -0.013 0.000 0.277 141 S C 1.653 176.272 174.600 0.032 0.000 1.230 141 S CA 0.041 58.264 58.200 0.037 0.000 1.053 141 S CB 1.176 64.392 63.200 0.028 0.000 0.955 141 S HN 0.662 nan 8.310 nan 0.000 0.488 142 S N 3.645 119.361 115.700 0.026 0.000 2.442 142 S HA -0.054 4.408 4.470 -0.013 0.000 0.236 142 S C 1.494 176.104 174.600 0.018 0.000 1.007 142 S CA 1.059 59.272 58.200 0.022 0.000 0.965 142 S CB -0.198 63.013 63.200 0.018 0.000 0.773 142 S HN 0.826 nan 8.310 nan 0.000 0.504 143 K N 0.213 120.623 120.400 0.017 0.000 2.446 143 K HA 0.216 4.528 4.320 -0.013 0.000 0.203 143 K C -0.365 176.243 176.600 0.013 0.000 1.027 143 K CA -0.234 56.062 56.287 0.014 0.000 1.166 143 K CB 0.245 32.753 32.500 0.014 0.000 0.869 143 K HN 0.052 nan 8.250 nan 0.000 0.504 144 K N 1.699 122.107 120.400 0.015 0.000 2.235 144 K HA 0.390 4.702 4.320 -0.013 0.000 0.266 144 K C -0.933 175.673 176.600 0.011 0.000 0.980 144 K CA -0.622 55.672 56.287 0.012 0.000 0.849 144 K CB 2.209 34.717 32.500 0.012 0.000 1.098 144 K HN 0.164 nan 8.250 nan 0.000 0.445 145 I N 1.264 121.839 120.570 0.007 0.000 2.466 145 I HA 0.374 4.536 4.170 -0.013 0.000 0.289 145 I C -1.045 175.073 176.117 0.002 0.000 1.026 145 I CA -0.612 60.692 61.300 0.006 0.000 1.078 145 I CB 1.537 39.540 38.000 0.005 0.000 1.249 145 I HN 0.657 nan 8.210 nan 0.000 0.429 146 A N 7.957 130.778 122.820 0.001 0.000 2.260 146 A HA 0.662 4.974 4.320 -0.013 0.000 0.314 146 A C -1.213 176.370 177.584 -0.002 0.000 1.257 146 A CA -0.487 51.548 52.037 -0.003 0.000 0.871 146 A CB 0.616 19.612 19.000 -0.007 0.000 1.166 146 A HN 0.566 nan 8.150 nan 0.000 0.522 147 L N 3.617 124.839 121.223 -0.003 0.000 2.255 147 L HA 0.372 4.705 4.340 -0.013 0.000 0.289 147 L C -0.146 176.722 176.870 -0.004 0.000 1.046 147 L CA -0.012 54.827 54.840 -0.002 0.000 0.816 147 L CB 1.053 43.110 42.059 -0.003 0.000 1.197 147 L HN 0.427 nan 8.230 nan 0.000 0.427 148 V N 4.010 123.923 119.914 -0.003 0.000 2.398 148 V HA 0.523 4.635 4.120 -0.013 0.000 0.286 148 V C 0.219 176.312 176.094 -0.001 0.000 1.026 148 V CA -0.688 61.611 62.300 -0.003 0.000 0.868 148 V CB 1.516 33.338 31.823 -0.002 0.000 0.982 148 V HN 0.726 nan 8.190 nan 0.000 0.443 149 E N 3.157 123.356 120.200 -0.002 0.000 2.431 149 E HA 0.626 4.968 4.350 -0.013 0.000 0.268 149 E C -0.903 175.698 176.600 0.001 0.000 0.953 149 E CA -1.147 55.252 56.400 -0.001 0.000 0.810 149 E CB 2.227 31.924 29.700 -0.005 0.000 1.369 149 E HN 0.487 nan 8.360 nan 0.000 0.440 150 R N 1.260 121.762 120.500 0.003 0.000 2.460 150 R HA 0.357 4.689 4.340 -0.013 0.000 0.303 150 R C -0.818 175.485 176.300 0.004 0.000 0.968 150 R CA -0.665 55.439 56.100 0.007 0.000 0.889 150 R CB 1.652 31.959 30.300 0.013 0.000 1.123 150 R HN 0.441 nan 8.270 nan 0.000 0.455 151 E N 3.882 124.087 120.200 0.008 0.000 2.222 151 E HA 0.362 4.704 4.350 -0.013 0.000 0.267 151 E C -2.487 174.124 176.600 0.019 0.000 0.884 151 E CA -2.463 53.942 56.400 0.008 0.000 0.764 151 E CB 1.610 31.314 29.700 0.006 0.000 1.169 151 E HN 0.150 nan 8.360 nan 0.000 0.413 152 P HA -0.047 nan 4.420 nan 0.000 0.267 152 P C 0.342 177.667 177.300 0.041 0.000 1.201 152 P CA 0.327 63.453 63.100 0.044 0.000 0.775 152 P CB 0.684 32.419 31.700 0.059 0.000 0.854 153 L N 0.425 121.676 121.223 0.046 0.000 2.209 153 L HA 0.157 4.489 4.340 -0.013 0.000 0.207 153 L C 1.734 178.630 176.870 0.042 0.000 1.094 153 L CA 1.604 56.468 54.840 0.040 0.000 0.790 153 L CB -0.720 41.364 42.059 0.041 0.000 0.932 153 L HN 0.730 nan 8.230 nan 0.000 0.447 154 G N -1.017 107.814 108.800 0.052 0.000 2.061 154 G HA2 -0.087 3.865 3.960 -0.013 0.000 0.059 154 G HA3 -0.087 3.865 3.960 -0.013 0.000 0.059 154 G C -1.063 173.869 174.900 0.053 0.000 1.013 154 G CA -0.359 44.771 45.100 0.051 0.000 1.185 154 G HN -0.225 nan 8.290 nan 0.000 0.410 155 V N 1.459 121.396 119.914 0.039 0.000 2.383 155 V HA 0.605 4.718 4.120 -0.013 0.000 0.275 155 V C 0.250 176.365 176.094 0.035 0.000 1.036 155 V CA -0.543 61.774 62.300 0.028 0.000 0.889 155 V CB 1.192 33.020 31.823 0.008 0.000 0.985 155 V HN 0.625 nan 8.190 nan 0.000 0.459 156 V N 6.315 126.254 119.914 0.041 0.000 2.394 156 V HA 0.384 4.496 4.120 -0.013 0.000 0.282 156 V C -0.171 175.961 176.094 0.064 0.000 1.031 156 V CA -0.575 61.758 62.300 0.056 0.000 0.881 156 V CB 1.672 33.534 31.823 0.066 0.000 0.982 156 V HN 0.694 nan 8.190 nan 0.000 0.451 157 L N 5.675 126.944 121.223 0.076 0.000 2.260 157 L HA 0.753 5.085 4.340 -0.013 0.000 0.289 157 L C 0.329 177.285 176.870 0.143 0.000 1.057 157 L CA 0.221 55.120 54.840 0.098 0.000 0.811 157 L CB 0.792 42.898 42.059 0.080 0.000 1.184 157 L HN 0.726 nan 8.230 nan 0.000 0.429 158 A N 7.046 129.980 122.820 0.191 0.000 2.287 158 A HA 0.758 5.070 4.320 -0.013 0.000 0.317 158 A C -0.713 177.064 177.584 0.322 0.000 1.220 158 A CA -0.443 51.740 52.037 0.242 0.000 0.835 158 A CB 0.242 19.378 19.000 0.225 0.000 1.180 158 A HN 0.691 nan 8.150 nan 0.000 0.500 159 I N 2.928 123.669 120.570 0.284 0.000 2.411 159 I HA 0.349 4.512 4.170 -0.013 0.000 0.284 159 I C 0.383 176.600 176.117 0.168 0.000 1.012 159 I CA -0.317 61.145 61.300 0.270 0.000 1.119 159 I CB 1.901 40.145 38.000 0.407 0.000 1.261 159 I HN 0.616 nan 8.210 nan 0.000 0.448 160 S N 6.577 122.393 115.700 0.194 0.000 2.638 160 S HA 0.779 5.241 4.470 -0.013 0.000 0.298 160 S C -2.681 171.955 174.600 0.059 0.000 1.111 160 S CA -1.407 56.873 58.200 0.134 0.000 1.027 160 S CB 2.111 65.495 63.200 0.305 0.000 1.064 160 S HN 0.335 nan 8.310 nan 0.000 0.525 161 P HA 0.356 nan 4.420 nan 0.000 0.287 161 P C 0.508 177.869 177.300 0.101 0.000 1.296 161 P CA -0.851 62.256 63.100 0.011 0.000 0.811 161 P CB 0.385 32.028 31.700 -0.096 0.000 1.211 162 F N -0.744 119.280 119.950 0.123 0.000 2.335 162 F HA 0.097 4.616 4.527 -0.013 0.000 0.296 162 F C 1.961 177.848 175.800 0.144 0.000 1.091 162 F CA 0.695 58.775 58.000 0.133 0.000 1.399 162 F CB -1.724 37.358 39.000 0.137 0.000 1.067 162 F HN 0.173 nan 8.300 nan 0.000 0.520 163 N N -0.333 117.897 118.700 -0.782 0.000 2.184 163 N HA -0.327 4.405 4.740 -0.013 0.000 0.188 163 N C -0.635 174.600 175.510 -0.459 0.000 0.923 163 N CA 2.330 55.094 53.050 -0.477 0.000 0.897 163 N CB -0.388 38.048 38.487 -0.085 0.000 1.060 163 N HN 0.440 nan 8.380 nan 0.000 0.763 164 Y N -1.759 118.461 120.300 -0.134 0.000 2.541 164 Y HA 0.293 4.836 4.550 -0.013 0.000 0.350 164 Y C -2.011 173.874 175.900 -0.026 0.000 1.075 164 Y CA -1.363 56.672 58.100 -0.109 0.000 1.302 164 Y CB 2.072 40.456 38.460 -0.126 0.000 1.094 164 Y HN 0.212 nan 8.280 nan 0.000 0.579 165 P HA 0.042 nan 4.420 nan 0.000 0.255 165 P C 0.675 178.087 177.300 0.186 0.000 1.248 165 P CA 0.595 63.798 63.100 0.171 0.000 0.807 165 P CB 1.037 32.839 31.700 0.169 0.000 1.150 166 V N -0.338 119.650 119.914 0.123 0.000 2.854 166 V HA 0.024 4.136 4.120 -0.013 0.000 0.236 166 V C 2.516 178.630 176.094 0.035 0.000 1.157 166 V CA 0.756 63.109 62.300 0.088 0.000 1.187 166 V CB -1.019 30.834 31.823 0.049 0.000 0.949 166 V HN 0.100 nan 8.190 nan 0.000 0.488 167 N N 0.929 119.649 118.700 0.032 0.000 2.036 167 N HA -0.152 4.580 4.740 -0.013 0.000 0.195 167 N C 1.701 177.182 175.510 -0.048 0.000 1.037 167 N CA 1.853 54.888 53.050 -0.026 0.000 0.855 167 N CB -0.118 38.369 38.487 -0.000 0.000 1.033 167 N HN 0.390 nan 8.380 nan 0.000 0.423 168 L N 0.212 121.440 121.223 0.007 0.000 2.492 168 L HA 0.073 4.406 4.340 -0.013 0.000 0.223 168 L C 2.349 179.240 176.870 0.035 0.000 1.132 168 L CA 0.261 55.092 54.840 -0.014 0.000 0.850 168 L CB -0.223 41.837 42.059 0.002 0.000 0.966 168 L HN 0.147 nan 8.230 nan 0.000 0.454 169 A N 0.538 123.395 122.820 0.063 0.000 1.843 169 A HA -0.006 4.306 4.320 -0.013 0.000 0.213 169 A C 2.548 180.077 177.584 -0.091 0.000 1.202 169 A CA 1.258 53.301 52.037 0.009 0.000 0.607 169 A CB -0.656 18.376 19.000 0.053 0.000 0.847 169 A HN 0.294 nan 8.150 nan 0.000 0.445 170 A N -0.012 122.780 122.820 -0.047 0.000 1.978 170 A HA 0.128 4.440 4.320 -0.013 0.000 0.220 170 A C 2.377 179.946 177.584 -0.024 0.000 1.170 170 A CA 2.032 54.061 52.037 -0.013 0.000 0.636 170 A CB -0.966 17.909 19.000 -0.209 0.000 0.810 170 A HN 1.151 nan 8.150 nan 0.000 0.448 171 A N -0.759 122.032 122.820 -0.048 0.000 2.131 171 A HA -0.136 4.177 4.320 -0.013 0.000 0.220 171 A C 2.039 179.633 177.584 0.016 0.000 1.158 171 A CA 1.853 53.871 52.037 -0.033 0.000 0.665 171 A CB -0.257 18.706 19.000 -0.063 0.000 0.795 171 A HN 0.612 nan 8.150 nan 0.000 0.460 172 K N -1.068 119.347 120.400 0.025 0.000 2.262 172 K HA 0.291 4.604 4.320 -0.013 0.000 0.200 172 K C 1.638 178.271 176.600 0.054 0.000 1.058 172 K CA 0.623 56.940 56.287 0.051 0.000 0.974 172 K CB -0.060 32.478 32.500 0.064 0.000 0.910 172 K HN 0.416 nan 8.250 nan 0.000 0.484 173 I N 1.637 122.226 120.570 0.032 0.000 2.202 173 I HA -0.244 3.918 4.170 -0.013 0.000 0.242 173 I C 2.550 178.750 176.117 0.138 0.000 1.091 173 I CA 1.230 62.554 61.300 0.040 0.000 1.368 173 I CB -0.433 37.545 38.000 -0.037 0.000 1.058 173 I HN 0.113 nan 8.210 nan 0.000 0.410 174 A N 1.718 124.674 122.820 0.226 0.000 1.865 174 A HA -0.120 4.192 4.320 -0.013 0.000 0.217 174 A C 0.117 177.807 177.584 0.176 0.000 1.191 174 A CA 1.875 54.067 52.037 0.259 0.000 0.623 174 A CB -2.066 17.042 19.000 0.180 0.000 0.826 174 A HN 0.285 nan 8.150 nan 0.000 0.444 175 P HA -0.087 nan 4.420 nan 0.000 0.218 175 P C 1.606 178.980 177.300 0.124 0.000 1.149 175 P CA 1.831 65.001 63.100 0.117 0.000 0.817 175 P CB -0.193 31.564 31.700 0.095 0.000 0.785 176 A N 0.334 123.224 122.820 0.117 0.000 1.877 176 A HA -0.149 4.163 4.320 -0.013 0.000 0.216 176 A C 2.364 180.045 177.584 0.161 0.000 1.186 176 A CA 1.593 53.698 52.037 0.114 0.000 0.620 176 A CB -1.586 17.464 19.000 0.083 0.000 0.822 176 A HN 0.130 nan 8.150 nan 0.000 0.443 177 L N -1.069 120.261 121.223 0.178 0.000 2.109 177 L HA -0.056 4.276 4.340 -0.013 0.000 0.207 177 L C 2.416 179.589 176.870 0.505 0.000 1.086 177 L CA 0.844 55.867 54.840 0.305 0.000 0.760 177 L CB -0.570 41.561 42.059 0.121 0.000 0.910 177 L HN 0.279 nan 8.230 nan 0.000 0.437 178 V N 0.270 120.375 119.914 0.318 0.000 2.759 178 V HA -0.183 3.929 4.120 -0.013 0.000 0.256 178 V C 2.358 178.531 176.094 0.131 0.000 1.080 178 V CA 2.181 64.626 62.300 0.242 0.000 1.101 178 V CB -0.358 31.581 31.823 0.193 0.000 0.698 178 V HN 0.710 nan 8.190 nan 0.000 0.477 179 T N -3.325 111.311 114.554 0.137 0.000 3.107 179 T HA 0.357 4.700 4.350 -0.013 0.000 0.249 179 T C 1.347 176.085 174.700 0.064 0.000 1.096 179 T CA 0.705 62.849 62.100 0.074 0.000 1.012 179 T CB 0.517 69.430 68.868 0.074 0.000 0.977 179 T HN 1.145 nan 8.240 nan 0.000 0.527 180 G N 1.321 110.201 108.800 0.134 0.000 2.144 180 G HA2 -0.203 3.749 3.960 -0.013 0.000 0.218 180 G HA3 -0.203 3.749 3.960 -0.013 0.000 0.218 180 G C -0.105 174.948 174.900 0.255 0.000 0.988 180 G CA -0.376 44.785 45.100 0.102 0.000 0.659 180 G HN 0.579 nan 8.290 nan 0.000 0.522 181 N N 0.621 119.471 118.700 0.249 0.000 2.408 181 N HA 0.561 5.294 4.740 -0.013 0.000 0.260 181 N C 0.631 176.249 175.510 0.180 0.000 1.242 181 N CA 0.766 53.925 53.050 0.181 0.000 0.959 181 N CB 1.002 39.559 38.487 0.117 0.000 1.201 181 N HN 0.516 nan 8.380 nan 0.000 0.511 182 T N -2.966 111.633 114.554 0.074 0.000 2.949 182 T HA 0.629 4.971 4.350 -0.013 0.000 0.287 182 T C -0.257 174.426 174.700 -0.029 0.000 1.034 182 T CA -0.724 61.355 62.100 -0.035 0.000 1.018 182 T CB 1.172 70.004 68.868 -0.060 0.000 1.135 182 T HN 0.101 nan 8.240 nan 0.000 0.532 183 V N 1.232 121.104 119.914 -0.070 0.000 2.588 183 V HA 0.488 4.600 4.120 -0.013 0.000 0.304 183 V C -0.464 175.625 176.094 -0.009 0.000 1.042 183 V CA -0.884 61.401 62.300 -0.025 0.000 0.877 183 V CB 1.966 33.769 31.823 -0.033 0.000 0.996 183 V HN 0.878 nan 8.190 nan 0.000 0.425 184 V N 5.595 125.527 119.914 0.030 0.000 2.348 184 V HA 0.367 4.479 4.120 -0.013 0.000 0.270 184 V C -0.495 175.691 176.094 0.155 0.000 1.037 184 V CA -0.365 61.964 62.300 0.049 0.000 0.872 184 V CB 1.093 32.918 31.823 0.003 0.000 1.002 184 V HN 0.672 nan 8.190 nan 0.000 0.464 185 F N 6.529 126.470 119.950 -0.015 0.000 2.385 185 F HA 0.682 5.201 4.527 -0.013 0.000 0.360 185 F C -0.064 175.758 175.800 0.037 0.000 1.122 185 F CA -1.551 56.461 58.000 0.020 0.000 1.090 185 F CB 1.301 40.312 39.000 0.018 0.000 1.150 185 F HN 0.362 nan 8.300 nan 0.000 0.472 186 K N 9.221 129.512 120.400 -0.183 0.000 2.473 186 K HA 0.483 4.795 4.320 -0.013 0.000 0.246 186 K C -2.985 173.344 176.600 -0.451 0.000 1.011 186 K CA -2.898 53.194 56.287 -0.325 0.000 0.984 186 K CB 0.713 33.174 32.500 -0.064 0.000 1.250 186 K HN 0.243 nan 8.250 nan 0.000 0.454 187 P HA 0.117 nan 4.420 nan 0.000 0.274 187 P C -0.619 176.628 177.300 -0.089 0.000 1.237 187 P CA -0.491 62.383 63.100 -0.378 0.000 0.793 187 P CB 0.720 32.215 31.700 -0.341 0.000 0.977 188 A N 1.996 124.841 122.820 0.042 0.000 2.531 188 A HA 0.091 4.403 4.320 -0.013 0.000 0.236 188 A C 1.693 179.317 177.584 0.067 0.000 1.062 188 A CA 0.452 52.545 52.037 0.093 0.000 0.760 188 A CB -0.935 18.174 19.000 0.181 0.000 0.995 188 A HN 0.586 nan 8.150 nan 0.000 0.501 189 T N 0.949 115.536 114.554 0.054 0.000 2.746 189 T HA -0.113 4.229 4.350 -0.013 0.000 0.267 189 T C 1.125 175.856 174.700 0.051 0.000 1.039 189 T CA 1.909 64.028 62.100 0.031 0.000 1.142 189 T CB -0.138 68.740 68.868 0.017 0.000 0.866 189 T HN 0.682 nan 8.240 nan 0.000 0.444 190 Q N 0.620 120.462 119.800 0.071 0.000 2.348 190 Q HA 0.435 4.767 4.340 -0.013 0.000 0.251 190 Q C 0.739 176.839 176.000 0.166 0.000 1.113 190 Q CA 0.481 56.335 55.803 0.084 0.000 0.902 190 Q CB -0.121 28.627 28.738 0.017 0.000 1.333 190 Q HN 0.445 nan 8.270 nan 0.000 0.457 191 G N 1.558 110.448 108.800 0.149 0.000 2.421 191 G HA2 -0.210 3.742 3.960 -0.013 0.000 0.188 191 G HA3 -0.210 3.742 3.960 -0.013 0.000 0.188 191 G C 1.130 176.121 174.900 0.152 0.000 1.001 191 G CA 0.171 45.375 45.100 0.174 0.000 0.693 191 G HN 0.504 nan 8.290 nan 0.000 0.479 192 S N 0.620 116.381 115.700 0.103 0.000 2.383 192 S HA -0.035 4.428 4.470 -0.013 0.000 0.229 192 S C 2.384 177.062 174.600 0.132 0.000 1.030 192 S CA 1.555 59.797 58.200 0.070 0.000 1.002 192 S CB -0.264 62.941 63.200 0.008 0.000 0.829 192 S HN 0.497 nan 8.310 nan 0.000 0.467 193 L N 0.856 122.174 121.223 0.159 0.000 2.056 193 L HA -0.082 4.250 4.340 -0.013 0.000 0.207 193 L C 2.583 179.657 176.870 0.341 0.000 1.078 193 L CA 1.034 56.047 54.840 0.288 0.000 0.749 193 L CB -0.777 41.492 42.059 0.350 0.000 0.901 193 L HN 0.226 nan 8.230 nan 0.000 0.433 194 S N 0.363 116.207 115.700 0.240 0.000 2.356 194 S HA -0.125 4.337 4.470 -0.013 0.000 0.223 194 S C 2.088 176.834 174.600 0.242 0.000 1.032 194 S CA 1.294 59.613 58.200 0.199 0.000 1.005 194 S CB -0.739 62.552 63.200 0.152 0.000 0.867 194 S HN 0.598 nan 8.310 nan 0.000 0.449 195 G N 1.512 110.489 108.800 0.295 0.000 2.442 195 G HA2 -0.155 3.797 3.960 -0.013 0.000 0.219 195 G HA3 -0.155 3.797 3.960 -0.013 0.000 0.219 195 G C 1.328 176.507 174.900 0.465 0.000 1.141 195 G CA 0.688 46.054 45.100 0.443 0.000 0.763 195 G HN 0.484 nan 8.290 nan 0.000 0.554 196 I N 0.139 120.933 120.570 0.374 0.000 2.202 196 I HA -0.116 4.047 4.170 -0.013 0.000 0.242 196 I C 2.738 179.057 176.117 0.337 0.000 1.091 196 I CA 0.928 62.463 61.300 0.391 0.000 1.368 196 I CB -0.109 38.089 38.000 0.330 0.000 1.058 196 I HN -0.032 nan 8.210 nan 0.000 0.410 197 K N 0.440 121.004 120.400 0.274 0.000 2.103 197 K HA -0.215 4.097 4.320 -0.013 0.000 0.207 197 K C 2.064 178.770 176.600 0.176 0.000 1.048 197 K CA 1.587 57.952 56.287 0.129 0.000 0.930 197 K CB -0.506 32.006 32.500 0.019 0.000 0.716 197 K HN 0.393 nan 8.250 nan 0.000 0.444 198 M N 0.602 120.349 119.600 0.244 0.000 2.080 198 M HA -0.174 4.298 4.480 -0.013 0.000 0.260 198 M C 1.927 178.464 176.300 0.394 0.000 1.068 198 M CA 1.585 57.076 55.300 0.319 0.000 1.109 198 M CB -0.024 32.761 32.600 0.310 0.000 1.342 198 M HN -0.127 nan 8.290 nan 0.000 0.405 199 V N 0.899 121.013 119.914 0.334 0.000 2.427 199 V HA -0.244 3.868 4.120 -0.013 0.000 0.248 199 V C 2.091 178.363 176.094 0.298 0.000 1.051 199 V CA 1.922 64.368 62.300 0.243 0.000 1.048 199 V CB -0.793 31.238 31.823 0.347 0.000 0.666 199 V HN 0.532 nan 8.190 nan 0.000 0.456 200 E N 0.313 120.728 120.200 0.359 0.000 2.070 200 E HA -0.292 4.050 4.350 -0.013 0.000 0.197 200 E C 2.329 179.035 176.600 0.177 0.000 1.004 200 E CA 1.548 58.089 56.400 0.236 0.000 0.805 200 E CB -0.338 29.317 29.700 -0.074 0.000 0.744 200 E HN 0.612 nan 8.360 nan 0.000 0.451 201 A N 1.125 124.053 122.820 0.181 0.000 1.978 201 A HA -0.172 4.140 4.320 -0.013 0.000 0.220 201 A C 2.148 179.828 177.584 0.160 0.000 1.170 201 A CA 0.989 53.158 52.037 0.220 0.000 0.636 201 A CB -0.532 18.674 19.000 0.344 0.000 0.810 201 A HN 0.251 nan 8.150 nan 0.000 0.448 202 L N -1.058 120.084 121.223 -0.134 0.000 2.072 202 L HA -0.093 4.240 4.340 -0.013 0.000 0.205 202 L C 2.898 179.638 176.870 -0.217 0.000 1.079 202 L CA 1.152 55.649 54.840 -0.571 0.000 0.752 202 L CB -0.352 41.001 42.059 -1.177 0.000 0.906 202 L HN 0.412 nan 8.230 nan 0.000 0.436 203 A N -0.314 122.477 122.820 -0.048 0.000 1.877 203 A HA -0.244 4.068 4.320 -0.013 0.000 0.216 203 A C 1.780 179.414 177.584 0.082 0.000 1.186 203 A CA 1.997 54.069 52.037 0.058 0.000 0.620 203 A CB -0.626 18.566 19.000 0.320 0.000 0.822 203 A HN 0.458 nan 8.150 nan 0.000 0.443 204 D N -0.067 120.397 120.400 0.106 0.000 2.310 204 D HA 0.074 4.706 4.640 -0.013 0.000 0.212 204 D C 1.804 178.150 176.300 0.078 0.000 0.965 204 D CA 1.106 55.160 54.000 0.090 0.000 0.879 204 D CB -0.206 40.643 40.800 0.081 0.000 0.921 204 D HN 0.453 nan 8.370 nan 0.000 0.510 205 A N -0.255 122.609 122.820 0.073 0.000 2.169 205 A HA 0.409 4.722 4.320 -0.013 0.000 0.212 205 A C 1.663 179.286 177.584 0.065 0.000 1.153 205 A CA 0.967 53.058 52.037 0.090 0.000 0.756 205 A CB -0.025 19.053 19.000 0.131 0.000 0.813 205 A HN 0.230 nan 8.150 nan 0.000 0.471 206 G N -1.754 107.065 108.800 0.033 0.000 2.145 206 G HA2 0.197 4.149 3.960 -0.013 0.000 0.176 206 G HA3 0.197 4.149 3.960 -0.013 0.000 0.176 206 G C 0.248 175.137 174.900 -0.018 0.000 1.013 206 G CA 0.027 45.142 45.100 0.025 0.000 0.689 206 G HN 1.491 nan 8.290 nan 0.000 0.506 207 A N 0.630 123.395 122.820 -0.092 0.000 2.524 207 A HA 0.590 4.902 4.320 -0.013 0.000 0.250 207 A C -0.875 176.605 177.584 -0.173 0.000 1.078 207 A CA -0.194 51.721 52.037 -0.203 0.000 0.761 207 A CB -0.011 18.805 19.000 -0.307 0.000 1.012 207 A HN 0.258 nan 8.150 nan 0.000 0.500 208 P HA 0.145 nan 4.420 nan 0.000 0.270 208 P C -0.186 177.012 177.300 -0.170 0.000 1.223 208 P CA -0.280 62.753 63.100 -0.112 0.000 0.785 208 P CB 0.395 32.078 31.700 -0.028 0.000 0.923 209 E N 0.802 120.932 120.200 -0.117 0.000 2.465 209 E HA 0.219 4.561 4.350 -0.013 0.000 0.260 209 E C 0.903 177.414 176.600 -0.148 0.000 0.980 209 E CA 0.064 56.383 56.400 -0.134 0.000 0.927 209 E CB -0.526 29.120 29.700 -0.090 0.000 0.934 209 E HN 0.726 nan 8.360 nan 0.000 0.459 210 G N 3.576 112.269 108.800 -0.179 0.000 2.336 210 G HA2 -0.324 3.628 3.960 -0.013 0.000 0.233 210 G HA3 -0.324 3.628 3.960 -0.013 0.000 0.233 210 G C 0.864 175.643 174.900 -0.200 0.000 1.053 210 G CA 0.184 45.187 45.100 -0.162 0.000 0.625 210 G HN 0.532 nan 8.290 nan 0.000 0.511 211 I N 0.555 120.955 120.570 -0.284 0.000 2.248 211 I HA 0.035 4.197 4.170 -0.013 0.000 0.248 211 I C 1.440 177.349 176.117 -0.345 0.000 1.107 211 I CA 1.192 62.244 61.300 -0.413 0.000 1.373 211 I CB -0.886 36.649 38.000 -0.775 0.000 1.055 211 I HN 0.429 nan 8.210 nan 0.000 0.418 212 I N 1.358 121.736 120.570 -0.320 0.000 2.418 212 I HA 0.307 4.469 4.170 -0.013 0.000 0.287 212 I C -0.701 175.291 176.117 -0.207 0.000 1.008 212 I CA -0.301 60.849 61.300 -0.250 0.000 1.104 212 I CB 1.145 38.960 38.000 -0.308 0.000 1.264 212 I HN 0.017 nan 8.210 nan 0.000 0.438 213 Q N 6.493 126.218 119.800 -0.125 0.000 2.353 213 Q HA 0.560 4.892 4.340 -0.013 0.000 0.268 213 Q C -1.220 174.768 176.000 -0.020 0.000 1.045 213 Q CA -0.887 54.849 55.803 -0.113 0.000 0.811 213 Q CB 2.664 31.343 28.738 -0.098 0.000 1.305 213 Q HN 0.462 nan 8.270 nan 0.000 0.447 214 V N 2.283 122.172 119.914 -0.042 0.000 2.370 214 V HA 0.381 4.493 4.120 -0.013 0.000 0.279 214 V C 0.129 176.197 176.094 -0.043 0.000 1.029 214 V CA -0.828 61.481 62.300 0.015 0.000 0.870 214 V CB 1.406 33.274 31.823 0.074 0.000 0.984 214 V HN 0.576 nan 8.190 nan 0.000 0.451 215 V N 2.274 122.146 119.914 -0.071 0.000 2.384 215 V HA 0.898 5.010 4.120 -0.013 0.000 0.287 215 V C 0.062 176.100 176.094 -0.094 0.000 1.020 215 V CA -0.251 62.010 62.300 -0.066 0.000 0.850 215 V CB 1.165 32.962 31.823 -0.042 0.000 0.987 215 V HN 0.926 nan 8.190 nan 0.000 0.436 216 T N 1.181 115.695 114.554 -0.065 0.000 2.908 216 T HA 0.992 5.335 4.350 -0.013 0.000 0.290 216 T C 0.051 174.727 174.700 -0.040 0.000 1.034 216 T CA -0.235 61.827 62.100 -0.064 0.000 1.010 216 T CB 1.745 70.578 68.868 -0.057 0.000 1.068 216 T HN 1.960 nan 8.240 nan 0.000 0.481 217 G N 0.669 109.449 108.800 -0.032 0.000 2.340 217 G HA2 0.319 4.271 3.960 -0.013 0.000 0.298 217 G HA3 0.319 4.271 3.960 -0.013 0.000 0.298 217 G C 0.187 175.079 174.900 -0.013 0.000 1.498 217 G CA -0.897 44.190 45.100 -0.022 0.000 0.847 217 G HN 0.655 nan 8.290 nan 0.000 0.594 218 R N 0.183 120.676 120.500 -0.010 0.000 2.171 218 R HA -0.045 4.288 4.340 -0.013 0.000 0.232 218 R C 1.789 178.092 176.300 0.006 0.000 1.116 218 R CA 2.423 58.520 56.100 -0.004 0.000 0.901 218 R CB -0.353 29.943 30.300 -0.006 0.000 0.850 218 R HN 1.843 nan 8.270 nan 0.000 0.431 219 G N -2.411 106.396 108.800 0.010 0.000 2.789 219 G HA2 -0.077 3.875 3.960 -0.013 0.000 0.218 219 G HA3 -0.077 3.875 3.960 -0.013 0.000 0.218 219 G C 0.428 175.340 174.900 0.020 0.000 0.980 219 G CA 0.139 45.252 45.100 0.022 0.000 0.848 219 G HN 0.330 nan 8.290 nan 0.000 0.591 220 S N -1.234 114.474 115.700 0.014 0.000 3.113 220 S HA 0.103 4.565 4.470 -0.013 0.000 0.265 220 S C 2.100 176.707 174.600 0.012 0.000 1.079 220 S CA 0.889 59.097 58.200 0.014 0.000 0.892 220 S CB 0.174 63.379 63.200 0.007 0.000 0.880 220 S HN 0.439 nan 8.310 nan 0.000 0.444 221 V N 3.062 122.976 119.914 -0.001 0.000 2.688 221 V HA -0.145 3.967 4.120 -0.013 0.000 0.256 221 V C 1.734 177.818 176.094 -0.017 0.000 1.084 221 V CA 2.029 64.319 62.300 -0.018 0.000 1.103 221 V CB -0.953 30.855 31.823 -0.025 0.000 0.688 221 V HN 0.707 nan 8.190 nan 0.000 0.480 222 I N -2.897 117.681 120.570 0.015 0.000 4.607 222 I HA 0.525 4.687 4.170 -0.013 0.000 0.324 222 I C 2.071 178.237 176.117 0.083 0.000 1.279 222 I CA 0.909 62.239 61.300 0.049 0.000 1.286 222 I CB -0.863 37.154 38.000 0.028 0.000 1.265 222 I HN -0.041 nan 8.210 nan 0.000 0.446 223 G N 2.031 110.863 108.800 0.054 0.000 2.777 223 G HA2 -0.290 3.662 3.960 -0.013 0.000 0.217 223 G HA3 -0.290 3.662 3.960 -0.013 0.000 0.217 223 G C 1.208 176.140 174.900 0.053 0.000 1.295 223 G CA 1.881 47.009 45.100 0.047 0.000 0.800 223 G HN 0.421 nan 8.290 nan 0.000 0.637 224 D N -0.248 120.183 120.400 0.052 0.000 2.104 224 D HA -0.129 4.503 4.640 -0.013 0.000 0.194 224 D C 2.048 178.396 176.300 0.080 0.000 0.994 224 D CA 1.569 55.596 54.000 0.046 0.000 0.830 224 D CB -0.653 40.170 40.800 0.039 0.000 0.959 224 D HN 0.520 nan 8.370 nan 0.000 0.452 225 H N 0.442 119.529 119.070 0.028 0.000 2.390 225 H HA -0.093 4.456 4.556 -0.013 0.000 0.298 225 H C 2.201 177.592 175.328 0.105 0.000 1.106 225 H CA 1.309 57.393 56.048 0.060 0.000 1.297 225 H CB -0.326 29.472 29.762 0.060 0.000 1.375 225 H HN 0.061 nan 8.280 nan 0.000 0.509 226 L N -1.131 120.158 121.223 0.110 0.000 1.988 226 L HA -0.149 4.183 4.340 -0.013 0.000 0.207 226 L C 2.572 179.458 176.870 0.027 0.000 1.071 226 L CA 1.114 55.982 54.840 0.047 0.000 0.744 226 L CB -0.453 41.639 42.059 0.056 0.000 0.893 226 L HN 0.166 nan 8.230 nan 0.000 0.433 227 V N -0.259 119.666 119.914 0.019 0.000 2.594 227 V HA -0.252 3.860 4.120 -0.013 0.000 0.253 227 V C 1.957 178.048 176.094 -0.006 0.000 1.069 227 V CA 1.671 63.972 62.300 0.001 0.000 1.082 227 V CB -0.427 31.381 31.823 -0.026 0.000 0.680 227 V HN 0.460 nan 8.190 nan 0.000 0.469 228 E N -1.901 118.288 120.200 -0.018 0.000 2.479 228 E HA 0.024 4.366 4.350 -0.013 0.000 0.193 228 E C 0.643 177.197 176.600 -0.077 0.000 1.049 228 E CA -0.222 56.151 56.400 -0.046 0.000 0.870 228 E CB 0.094 29.762 29.700 -0.054 0.000 0.944 228 E HN 0.560 nan 8.360 nan 0.000 0.492 229 H N 2.213 121.193 119.070 -0.149 0.000 2.878 229 H HA 0.038 4.586 4.556 -0.013 0.000 0.290 229 H C -1.490 173.783 175.328 -0.092 0.000 1.065 229 H CA -1.804 54.142 56.048 -0.171 0.000 1.477 229 H CB 1.241 30.885 29.762 -0.196 0.000 1.484 229 H HN 0.000 nan 8.280 nan 0.000 0.504 230 P HA -0.114 nan 4.420 nan 0.000 0.220 230 P C 1.277 178.626 177.300 0.081 0.000 1.144 230 P CA 1.100 64.178 63.100 -0.037 0.000 0.800 230 P CB -0.005 31.634 31.700 -0.102 0.000 0.772 231 G N -0.608 108.365 108.800 0.289 0.000 2.744 231 G HA2 0.003 3.955 3.960 -0.013 0.000 0.211 231 G HA3 0.003 3.955 3.960 -0.013 0.000 0.211 231 G C 0.684 175.643 174.900 0.098 0.000 1.143 231 G CA -0.015 45.213 45.100 0.212 0.000 0.788 231 G HN 0.184 nan 8.290 nan 0.000 0.534 232 I N 1.496 122.123 120.570 0.095 0.000 2.331 232 I HA 0.249 4.411 4.170 -0.013 0.000 0.292 232 I C -0.261 175.882 176.117 0.044 0.000 0.998 232 I CA -0.488 60.842 61.300 0.050 0.000 1.267 232 I CB 1.582 39.610 38.000 0.046 0.000 1.386 232 I HN 0.030 nan 8.210 nan 0.000 0.476 233 D N 5.933 126.356 120.400 0.039 0.000 2.398 233 D HA 0.176 4.809 4.640 -0.013 0.000 0.210 233 D C 0.366 176.688 176.300 0.038 0.000 1.094 233 D CA 0.449 54.471 54.000 0.036 0.000 0.839 233 D CB 1.527 42.348 40.800 0.035 0.000 0.963 233 D HN 0.328 nan 8.370 nan 0.000 0.506 234 M N 1.417 121.044 119.600 0.044 0.000 2.389 234 M HA 0.197 4.669 4.480 -0.013 0.000 0.291 234 M C -2.478 173.860 176.300 0.062 0.000 1.128 234 M CA -0.370 54.960 55.300 0.051 0.000 0.942 234 M CB 2.518 35.151 32.600 0.055 0.000 1.783 234 M HN -0.319 nan 8.290 nan 0.000 0.501 235 I N 2.776 123.386 120.570 0.068 0.000 2.433 235 I HA 0.474 4.636 4.170 -0.013 0.000 0.292 235 I C 0.060 176.249 176.117 0.121 0.000 1.001 235 I CA -0.343 61.012 61.300 0.091 0.000 1.119 235 I CB 1.629 39.673 38.000 0.073 0.000 1.289 235 I HN 0.708 nan 8.210 nan 0.000 0.438 236 T N 7.020 121.668 114.554 0.156 0.000 2.840 236 T HA 0.622 4.965 4.350 -0.013 0.000 0.287 236 T C -1.376 173.478 174.700 0.257 0.000 0.991 236 T CA -0.364 61.845 62.100 0.181 0.000 0.964 236 T CB 0.464 69.415 68.868 0.137 0.000 0.954 236 T HN 0.367 nan 8.240 nan 0.000 0.438 237 F N 3.668 123.670 119.950 0.087 0.000 2.561 237 F HA 0.672 5.191 4.527 -0.013 0.000 0.313 237 F C -0.790 175.068 175.800 0.096 0.000 1.126 237 F CA -0.377 57.677 58.000 0.091 0.000 0.918 237 F CB 2.143 41.187 39.000 0.073 0.000 1.199 237 F HN 0.452 nan 8.300 nan 0.000 0.444 238 T N 4.560 118.710 114.554 -0.674 0.000 2.824 238 T HA 0.827 5.169 4.350 -0.013 0.000 0.282 238 T C -0.117 173.956 174.700 -1.045 0.000 0.993 238 T CA -0.169 61.581 62.100 -0.583 0.000 0.967 238 T CB 1.314 70.060 68.868 -0.204 0.000 0.960 238 T HN 1.137 nan 8.240 nan 0.000 0.441 239 G N 1.578 109.968 108.800 -0.683 0.000 2.452 239 G HA2 0.522 4.474 3.960 -0.013 0.000 0.224 239 G HA3 0.522 4.474 3.960 -0.013 0.000 0.224 239 G C -0.241 174.647 174.900 -0.021 0.000 1.208 239 G CA -0.240 44.635 45.100 -0.374 0.000 0.946 239 G HN 0.869 nan 8.290 nan 0.000 0.481 240 G N -0.880 107.986 108.800 0.111 0.000 2.539 240 G HA2 0.459 4.411 3.960 -0.013 0.000 0.258 240 G HA3 0.459 4.411 3.960 -0.013 0.000 0.258 240 G C 1.030 176.038 174.900 0.181 0.000 1.202 240 G CA 1.003 46.139 45.100 0.060 0.000 0.851 240 G HN 0.720 nan 8.290 nan 0.000 0.556 241 T N 1.009 115.643 114.554 0.133 0.000 2.701 241 T HA -0.128 4.214 4.350 -0.013 0.000 0.263 241 T C 2.774 177.534 174.700 0.100 0.000 1.040 241 T CA 1.945 64.142 62.100 0.162 0.000 1.147 241 T CB -0.443 68.553 68.868 0.214 0.000 0.865 241 T HN 0.523 nan 8.240 nan 0.000 0.426 242 T N 2.185 116.777 114.554 0.063 0.000 2.665 242 T HA -0.160 4.183 4.350 -0.013 0.000 0.268 242 T C 2.241 176.942 174.700 0.002 0.000 1.035 242 T CA 1.882 63.996 62.100 0.023 0.000 1.151 242 T CB -0.877 67.995 68.868 0.006 0.000 0.862 242 T HN 0.431 nan 8.240 nan 0.000 0.438 243 T N 1.169 115.740 114.554 0.028 0.000 2.746 243 T HA -0.026 4.316 4.350 -0.013 0.000 0.267 243 T C 2.306 176.852 174.700 -0.257 0.000 1.039 243 T CA 1.237 63.310 62.100 -0.045 0.000 1.142 243 T CB -0.966 67.970 68.868 0.113 0.000 0.866 243 T HN 0.531 nan 8.240 nan 0.000 0.444 244 G N 1.180 109.893 108.800 -0.144 0.000 2.476 244 G HA2 -0.274 3.678 3.960 -0.013 0.000 0.218 244 G HA3 -0.274 3.678 3.960 -0.013 0.000 0.218 244 G C 1.474 176.281 174.900 -0.154 0.000 1.164 244 G CA 1.213 46.188 45.100 -0.208 0.000 0.768 244 G HN 0.448 nan 8.290 nan 0.000 0.560 245 E N 0.294 120.455 120.200 -0.064 0.000 2.070 245 E HA -0.124 4.218 4.350 -0.013 0.000 0.197 245 E C 2.735 179.291 176.600 -0.074 0.000 1.004 245 E CA 1.203 57.573 56.400 -0.049 0.000 0.805 245 E CB -0.133 29.552 29.700 -0.025 0.000 0.744 245 E HN 0.435 nan 8.360 nan 0.000 0.451 246 R N -0.233 120.211 120.500 -0.093 0.000 2.091 246 R HA -0.120 4.213 4.340 -0.013 0.000 0.238 246 R C 2.495 178.728 176.300 -0.112 0.000 1.136 246 R CA 1.574 57.620 56.100 -0.090 0.000 0.959 246 R CB -0.464 29.783 30.300 -0.089 0.000 0.856 246 R HN 0.256 nan 8.270 nan 0.000 0.437 247 I N 0.020 120.479 120.570 -0.184 0.000 2.179 247 I HA -0.308 3.854 4.170 -0.013 0.000 0.242 247 I C 2.662 178.713 176.117 -0.110 0.000 1.088 247 I CA 1.309 62.497 61.300 -0.186 0.000 1.357 247 I CB -0.350 37.445 38.000 -0.342 0.000 1.051 247 I HN 0.178 nan 8.210 nan 0.000 0.409 248 S N 0.196 115.839 115.700 -0.096 0.000 2.370 248 S HA -0.284 4.179 4.470 -0.013 0.000 0.226 248 S C 2.081 176.656 174.600 -0.042 0.000 1.033 248 S CA 1.899 60.069 58.200 -0.051 0.000 1.011 248 S CB -0.323 62.856 63.200 -0.034 0.000 0.852 248 S HN 0.447 nan 8.310 nan 0.000 0.457 249 E N 0.296 120.468 120.200 -0.047 0.000 2.077 249 E HA -0.160 4.182 4.350 -0.013 0.000 0.193 249 E C 1.747 178.327 176.600 -0.034 0.000 0.989 249 E CA 1.117 57.495 56.400 -0.036 0.000 0.800 249 E CB -0.045 29.633 29.700 -0.036 0.000 0.746 249 E HN 0.540 nan 8.360 nan 0.000 0.452 250 K N -0.289 120.086 120.400 -0.042 0.000 2.361 250 K HA 0.174 4.486 4.320 -0.013 0.000 0.196 250 K C 0.651 177.232 176.600 -0.031 0.000 1.039 250 K CA 0.299 56.565 56.287 -0.035 0.000 1.001 250 K CB 0.608 33.086 32.500 -0.036 0.000 0.795 250 K HN -0.006 nan 8.250 nan 0.000 0.495 251 A N 2.792 125.593 122.820 -0.033 0.000 2.302 251 A HA 0.370 4.682 4.320 -0.013 0.000 0.285 251 A C -0.193 177.380 177.584 -0.019 0.000 1.105 251 A CA -0.413 51.610 52.037 -0.023 0.000 0.816 251 A CB 0.364 19.352 19.000 -0.020 0.000 1.067 251 A HN 0.268 nan 8.150 nan 0.000 0.489 252 K N 0.512 120.903 120.400 -0.015 0.000 2.508 252 K HA 0.621 4.933 4.320 -0.013 0.000 0.260 252 K C -0.235 176.360 176.600 -0.007 0.000 0.949 252 K CA -0.861 55.418 56.287 -0.012 0.000 0.834 252 K CB 1.148 33.639 32.500 -0.015 0.000 1.365 252 K HN 0.442 nan 8.250 nan 0.000 0.437 253 M N 0.063 119.660 119.600 -0.005 0.000 2.899 253 M HA -0.184 4.288 4.480 -0.013 0.000 0.195 253 M C -0.468 175.835 176.300 0.004 0.000 0.603 253 M CA 1.199 56.498 55.300 -0.001 0.000 0.712 253 M CB -2.550 30.047 32.600 -0.004 0.000 2.569 253 M HN 0.857 nan 8.290 nan 0.000 0.406 254 I N -2.568 118.006 120.570 0.007 0.000 3.074 254 I HA 0.838 5.000 4.170 -0.013 0.000 0.310 254 I C -2.422 173.706 176.117 0.018 0.000 1.153 254 I CA -2.247 59.062 61.300 0.015 0.000 0.993 254 I CB 2.166 40.178 38.000 0.020 0.000 1.237 254 I HN -0.213 nan 8.210 nan 0.000 0.443 255 P HA 0.354 nan 4.420 nan 0.000 0.275 255 P C -1.077 176.245 177.300 0.037 0.000 1.227 255 P CA -0.257 62.861 63.100 0.029 0.000 0.781 255 P CB 1.216 32.936 31.700 0.034 0.000 0.906 256 V N 3.598 123.535 119.914 0.038 0.000 2.482 256 V HA 0.266 4.378 4.120 -0.013 0.000 0.295 256 V C -0.160 175.972 176.094 0.063 0.000 1.026 256 V CA -0.673 61.657 62.300 0.049 0.000 0.856 256 V CB 2.217 34.058 31.823 0.030 0.000 1.001 256 V HN 0.231 nan 8.190 nan 0.000 0.424 257 V N 6.700 126.668 119.914 0.090 0.000 2.398 257 V HA 0.573 4.685 4.120 -0.013 0.000 0.286 257 V C -0.355 175.831 176.094 0.152 0.000 1.026 257 V CA -0.363 61.998 62.300 0.102 0.000 0.868 257 V CB 1.689 33.570 31.823 0.097 0.000 0.982 257 V HN 0.677 nan 8.190 nan 0.000 0.443 258 L N 4.546 125.857 121.223 0.146 0.000 2.385 258 L HA 0.617 4.949 4.340 -0.013 0.000 0.273 258 L C -0.280 176.688 176.870 0.163 0.000 0.990 258 L CA -0.400 54.572 54.840 0.221 0.000 0.821 258 L CB 2.269 44.458 42.059 0.217 0.000 1.279 258 L HN 0.601 nan 8.230 nan 0.000 0.412 259 E N 4.338 124.642 120.200 0.173 0.000 2.114 259 E HA 0.583 4.925 4.350 -0.013 0.000 0.266 259 E C -1.224 175.454 176.600 0.131 0.000 0.896 259 E CA -0.347 56.136 56.400 0.138 0.000 0.750 259 E CB 1.064 30.881 29.700 0.196 0.000 1.121 259 E HN 0.534 nan 8.360 nan 0.000 0.413 260 L N 2.118 123.429 121.223 0.146 0.000 2.670 260 L HA 0.660 4.993 4.340 -0.013 0.000 0.251 260 L C 1.042 177.994 176.870 0.138 0.000 1.548 260 L CA -1.198 53.739 54.840 0.163 0.000 1.643 260 L CB 0.168 42.355 42.059 0.213 0.000 2.174 260 L HN 0.494 nan 8.230 nan 0.000 0.585 261 G N -1.236 107.652 108.800 0.147 0.000 2.572 261 G HA2 0.515 4.467 3.960 -0.013 0.000 0.261 261 G HA3 0.515 4.467 3.960 -0.013 0.000 0.261 261 G C -0.595 174.219 174.900 -0.143 0.000 1.197 261 G CA 0.089 45.184 45.100 -0.008 0.000 0.870 261 G HN 0.708 nan 8.290 nan 0.000 0.548 262 G N -0.932 107.679 108.800 -0.314 0.000 2.574 262 G HA2 0.521 4.474 3.960 -0.013 0.000 0.299 262 G HA3 0.521 4.474 3.960 -0.013 0.000 0.299 262 G C -0.969 173.689 174.900 -0.402 0.000 1.298 262 G CA -0.740 44.207 45.100 -0.256 0.000 0.952 262 G HN 0.548 nan 8.290 nan 0.000 0.477 263 K N 1.300 121.620 120.400 -0.134 0.000 2.954 263 K HA 0.267 4.579 4.320 -0.013 0.000 0.171 263 K C -0.730 175.916 176.600 0.077 0.000 1.079 263 K CA -0.529 55.758 56.287 -0.001 0.000 0.908 263 K CB 0.060 32.656 32.500 0.159 0.000 1.142 263 K HN 0.377 nan 8.250 nan 0.000 0.613 264 D N 3.928 124.356 120.400 0.048 0.000 2.450 264 D HA 0.027 4.660 4.640 -0.013 0.000 0.247 264 D C -2.226 174.115 176.300 0.069 0.000 1.162 264 D CA -0.973 53.075 54.000 0.080 0.000 0.879 264 D CB 0.767 41.606 40.800 0.065 0.000 1.163 264 D HN 0.306 nan 8.370 nan 0.000 0.472 265 P HA 0.292 nan 4.420 nan 0.000 0.286 265 P C -1.274 176.124 177.300 0.164 0.000 1.261 265 P CA -0.707 62.480 63.100 0.146 0.000 0.821 265 P CB 1.230 33.169 31.700 0.398 0.000 1.013 266 A N 3.932 126.833 122.820 0.135 0.000 2.271 266 A HA 0.613 4.925 4.320 -0.013 0.000 0.317 266 A C -0.072 177.687 177.584 0.291 0.000 1.245 266 A CA -0.832 51.355 52.037 0.250 0.000 0.857 266 A CB 0.039 19.150 19.000 0.186 0.000 1.175 266 A HN 0.452 nan 8.150 nan 0.000 0.512 267 I N 3.182 123.968 120.570 0.360 0.000 2.339 267 I HA 0.361 4.524 4.170 -0.013 0.000 0.290 267 I C -0.802 175.524 176.117 0.349 0.000 0.994 267 I CA -0.751 60.740 61.300 0.318 0.000 1.191 267 I CB 1.830 39.968 38.000 0.231 0.000 1.343 267 I HN 0.302 nan 8.210 nan 0.000 0.458 268 V N 7.353 127.413 119.914 0.242 0.000 2.349 268 V HA 0.408 4.520 4.120 -0.013 0.000 0.284 268 V C 0.211 176.384 176.094 0.132 0.000 1.014 268 V CA -0.529 61.884 62.300 0.190 0.000 0.826 268 V CB 1.179 33.038 31.823 0.061 0.000 1.009 268 V HN 0.546 nan 8.190 nan 0.000 0.431 269 L N 2.248 123.551 121.223 0.133 0.000 2.469 269 L HA 0.419 4.751 4.340 -0.013 0.000 0.253 269 L C 1.799 178.711 176.870 0.069 0.000 1.143 269 L CA -0.393 54.501 54.840 0.088 0.000 0.804 269 L CB 0.729 42.835 42.059 0.078 0.000 1.214 269 L HN 0.643 nan 8.230 nan 0.000 0.476 270 D N 0.594 121.024 120.400 0.050 0.000 2.133 270 D HA -0.228 4.404 4.640 -0.013 0.000 0.195 270 D C 0.781 177.105 176.300 0.039 0.000 0.997 270 D CA 1.405 55.428 54.000 0.038 0.000 0.840 270 D CB -0.013 40.805 40.800 0.030 0.000 0.947 270 D HN 0.613 nan 8.370 nan 0.000 0.452 271 D N -0.048 120.380 120.400 0.045 0.000 3.134 271 D HA 0.308 4.940 4.640 -0.013 0.000 0.248 271 D C -0.489 175.847 176.300 0.060 0.000 1.273 271 D CA -0.413 53.614 54.000 0.045 0.000 0.904 271 D CB -0.294 40.529 40.800 0.039 0.000 1.089 271 D HN 0.226 nan 8.370 nan 0.000 0.478 272 A N 0.405 123.264 122.820 0.065 0.000 2.337 272 A HA 0.373 4.685 4.320 -0.013 0.000 0.329 272 A C -0.354 177.267 177.584 0.061 0.000 1.146 272 A CA -0.880 51.211 52.037 0.089 0.000 0.800 272 A CB 1.246 20.317 19.000 0.118 0.000 1.220 272 A HN 0.142 nan 8.150 nan 0.000 0.472 273 D N 2.513 122.957 120.400 0.074 0.000 2.348 273 D HA 0.154 4.786 4.640 -0.013 0.000 0.259 273 D C 0.664 176.975 176.300 0.017 0.000 1.296 273 D CA 0.027 54.056 54.000 0.048 0.000 0.931 273 D CB 0.236 41.073 40.800 0.061 0.000 1.067 273 D HN 0.429 nan 8.370 nan 0.000 0.503 274 L N 3.417 124.635 121.223 -0.008 0.000 2.395 274 L HA -0.043 4.290 4.340 -0.013 0.000 0.218 274 L C 2.372 179.207 176.870 -0.058 0.000 1.130 274 L CA 0.337 55.148 54.840 -0.048 0.000 0.826 274 L CB -0.151 41.886 42.059 -0.036 0.000 0.941 274 L HN 0.193 nan 8.230 nan 0.000 0.451 275 K N 0.307 120.689 120.400 -0.030 0.000 1.991 275 K HA -0.085 4.227 4.320 -0.013 0.000 0.207 275 K C 2.071 178.653 176.600 -0.029 0.000 1.045 275 K CA 1.100 57.371 56.287 -0.026 0.000 0.937 275 K CB -0.569 31.926 32.500 -0.009 0.000 0.720 275 K HN 0.108 nan 8.250 nan 0.000 0.438 276 L N 1.729 122.949 121.223 -0.005 0.000 2.042 276 L HA -0.161 4.172 4.340 -0.013 0.000 0.210 276 L C 2.015 178.868 176.870 -0.027 0.000 1.076 276 L CA 1.991 56.844 54.840 0.022 0.000 0.749 276 L CB -1.086 41.019 42.059 0.078 0.000 0.893 276 L HN 0.177 nan 8.230 nan 0.000 0.432 277 T N 0.048 114.516 114.554 -0.143 0.000 2.652 277 T HA -0.209 4.134 4.350 -0.013 0.000 0.267 277 T C 1.925 176.376 174.700 -0.415 0.000 1.039 277 T CA 1.633 63.392 62.100 -0.569 0.000 1.153 277 T CB -0.749 67.703 68.868 -0.695 0.000 0.863 277 T HN 0.534 nan 8.240 nan 0.000 0.428 278 A N 0.974 123.655 122.820 -0.231 0.000 1.917 278 A HA -0.149 4.164 4.320 -0.013 0.000 0.219 278 A C 2.585 180.116 177.584 -0.088 0.000 1.182 278 A CA 2.311 54.262 52.037 -0.144 0.000 0.633 278 A CB -1.093 17.853 19.000 -0.089 0.000 0.819 278 A HN 0.453 nan 8.150 nan 0.000 0.448 279 S N -1.443 114.219 115.700 -0.063 0.000 2.355 279 S HA -0.158 4.305 4.470 -0.013 0.000 0.222 279 S C 2.226 176.828 174.600 0.002 0.000 1.031 279 S CA 1.371 59.560 58.200 -0.019 0.000 0.993 279 S CB -0.348 62.850 63.200 -0.004 0.000 0.859 279 S HN 0.579 nan 8.310 nan 0.000 0.453 280 Q N 0.719 120.523 119.800 0.007 0.000 2.050 280 Q HA -0.073 4.259 4.340 -0.013 0.000 0.202 280 Q C 2.237 178.265 176.000 0.047 0.000 0.980 280 Q CA 1.078 56.925 55.803 0.074 0.000 0.840 280 Q CB -0.607 28.271 28.738 0.235 0.000 0.898 280 Q HN 0.479 nan 8.270 nan 0.000 0.424 281 I N 0.215 120.760 120.570 -0.041 0.000 2.091 281 I HA -0.236 3.926 4.170 -0.013 0.000 0.239 281 I C 2.509 178.639 176.117 0.022 0.000 1.061 281 I CA 1.026 62.304 61.300 -0.038 0.000 1.317 281 I CB -1.478 36.447 38.000 -0.125 0.000 1.031 281 I HN -0.026 nan 8.210 nan 0.000 0.401 282 V N 0.142 120.095 119.914 0.065 0.000 2.295 282 V HA -0.265 3.848 4.120 -0.013 0.000 0.246 282 V C 2.740 178.947 176.094 0.188 0.000 1.049 282 V CA 1.998 64.416 62.300 0.198 0.000 1.024 282 V CB -0.844 31.059 31.823 0.134 0.000 0.648 282 V HN 0.476 nan 8.190 nan 0.000 0.447 283 S N 0.500 116.257 115.700 0.095 0.000 2.380 283 S HA -0.207 4.255 4.470 -0.013 0.000 0.229 283 S C 1.977 176.617 174.600 0.066 0.000 1.043 283 S CA 2.225 60.470 58.200 0.075 0.000 1.038 283 S CB -0.635 62.593 63.200 0.046 0.000 0.872 283 S HN 0.663 nan 8.310 nan 0.000 0.456 284 G N -0.099 108.726 108.800 0.040 0.000 2.426 284 G HA2 0.246 4.198 3.960 -0.013 0.000 0.214 284 G HA3 0.246 4.198 3.960 -0.013 0.000 0.214 284 G C 1.645 176.518 174.900 -0.046 0.000 1.156 284 G CA 0.677 45.778 45.100 0.003 0.000 0.802 284 G HN 0.687 nan 8.290 nan 0.000 0.534 285 A N -0.034 122.727 122.820 -0.098 0.000 1.968 285 A HA 0.302 4.614 4.320 -0.013 0.000 0.217 285 A C 1.811 179.140 177.584 -0.425 0.000 1.169 285 A CA 0.899 52.746 52.037 -0.316 0.000 0.638 285 A CB -0.280 18.422 19.000 -0.497 0.000 0.812 285 A HN 0.290 nan 8.150 nan 0.000 0.446 286 F N -0.431 119.494 119.950 -0.042 0.000 2.704 286 F HA 0.262 4.782 4.527 -0.013 0.000 0.304 286 F C 1.331 177.111 175.800 -0.033 0.000 1.094 286 F CA -0.110 57.862 58.000 -0.047 0.000 1.275 286 F CB 0.117 39.092 39.000 -0.042 0.000 1.073 286 F HN 0.060 nan 8.300 nan 0.000 0.586 287 S N 0.383 116.158 115.700 0.126 0.000 2.563 287 S HA -0.137 4.325 4.470 -0.013 0.000 0.294 287 S C 0.311 174.982 174.600 0.119 0.000 1.279 287 S CA -0.087 58.174 58.200 0.103 0.000 1.069 287 S CB -0.430 62.813 63.200 0.072 0.000 0.828 287 S HN 0.420 nan 8.310 nan 0.000 0.497 288 Y N 3.645 123.925 120.300 -0.034 0.000 3.225 288 Y HA -0.327 4.216 4.550 -0.013 0.000 0.211 288 Y C 0.824 176.688 175.900 -0.059 0.000 1.223 288 Y CA 1.071 59.128 58.100 -0.072 0.000 1.284 288 Y CB -2.308 36.060 38.460 -0.153 0.000 1.367 288 Y HN 1.033 nan 8.280 nan 0.000 0.566 289 S N -1.395 114.278 115.700 -0.046 0.000 3.473 289 S HA -0.166 4.297 4.470 -0.013 0.000 0.339 289 S C 1.558 176.068 174.600 -0.150 0.000 1.148 289 S CA 1.568 59.729 58.200 -0.064 0.000 0.969 289 S CB -1.699 61.426 63.200 -0.125 0.000 0.936 289 S HN 2.371 nan 8.310 nan 0.000 0.530 290 G N -0.027 108.658 108.800 -0.192 0.000 2.143 290 G HA2 -0.306 3.646 3.960 -0.013 0.000 0.249 290 G HA3 -0.306 3.646 3.960 -0.013 0.000 0.249 290 G C -0.134 174.458 174.900 -0.513 0.000 0.981 290 G CA 0.403 45.328 45.100 -0.291 0.000 0.665 290 G HN 0.671 nan 8.290 nan 0.000 0.528 291 Q N 0.153 119.561 119.800 -0.654 0.000 3.122 291 Q HA 0.427 4.759 4.340 -0.013 0.000 0.360 291 Q C 0.593 176.019 176.000 -0.957 0.000 1.300 291 Q CA 0.103 55.183 55.803 -1.205 0.000 0.982 291 Q CB 0.282 28.561 28.738 -0.765 0.000 1.534 291 Q HN 0.494 nan 8.270 nan 0.000 0.474 292 R N -0.760 119.274 120.500 -0.776 0.000 2.621 292 R HA 0.309 4.641 4.340 -0.013 0.000 0.284 292 R C -0.053 176.269 176.300 0.036 0.000 0.998 292 R CA -0.599 55.412 56.100 -0.148 0.000 0.895 292 R CB 1.176 31.478 30.300 0.004 0.000 1.195 292 R HN 0.301 nan 8.270 nan 0.000 0.450 293 C N 0.415 119.868 119.300 0.255 0.000 2.466 293 C HA -0.021 4.431 4.460 -0.013 0.000 0.278 293 C C 0.925 176.010 174.990 0.158 0.000 1.288 293 C CA 0.706 59.883 59.018 0.265 0.000 1.722 293 C CB -0.173 27.718 27.740 0.252 0.000 2.017 293 C HN 0.686 nan 8.230 nan 0.000 0.488 294 T N 1.647 116.291 114.554 0.150 0.000 2.727 294 T HA 0.597 4.939 4.350 -0.013 0.000 0.298 294 T C -0.284 174.443 174.700 0.044 0.000 0.942 294 T CA 0.323 62.496 62.100 0.122 0.000 0.997 294 T CB 0.557 69.518 68.868 0.155 0.000 0.917 294 T HN 0.609 nan 8.240 nan 0.000 0.487 295 A N 3.564 126.393 122.820 0.015 0.000 2.585 295 A HA 0.489 4.801 4.320 -0.013 0.000 0.299 295 A C -0.983 176.575 177.584 -0.043 0.000 1.047 295 A CA -0.932 51.086 52.037 -0.033 0.000 0.723 295 A CB 0.798 19.754 19.000 -0.073 0.000 1.275 295 A HN 0.619 nan 8.150 nan 0.000 0.408 296 I N 1.718 122.255 120.570 -0.054 0.000 2.598 296 I HA 0.145 4.307 4.170 -0.013 0.000 0.284 296 I C 0.803 176.844 176.117 -0.126 0.000 1.140 296 I CA 0.815 62.082 61.300 -0.055 0.000 1.420 296 I CB 0.575 38.559 38.000 -0.026 0.000 1.387 296 I HN 0.814 nan 8.210 nan 0.000 0.553 297 K N 5.720 126.050 120.400 -0.117 0.000 2.520 297 K HA 0.324 4.636 4.320 -0.013 0.000 0.206 297 K C -0.014 176.476 176.600 -0.183 0.000 1.122 297 K CA -0.167 56.027 56.287 -0.156 0.000 1.045 297 K CB 1.011 33.445 32.500 -0.109 0.000 0.932 297 K HN 0.441 nan 8.250 nan 0.000 0.571 298 R N 0.959 121.336 120.500 -0.205 0.000 2.515 298 R HA 0.297 4.629 4.340 -0.013 0.000 0.278 298 R C -1.593 174.492 176.300 -0.358 0.000 1.107 298 R CA -0.521 55.369 56.100 -0.350 0.000 0.945 298 R CB 2.397 32.435 30.300 -0.436 0.000 1.219 298 R HN -0.163 nan 8.270 nan 0.000 0.434 299 V N 4.769 124.454 119.914 -0.382 0.000 2.334 299 V HA 0.414 4.526 4.120 -0.013 0.000 0.281 299 V C -0.664 175.228 176.094 -0.337 0.000 1.016 299 V CA -0.626 61.516 62.300 -0.264 0.000 0.832 299 V CB 0.890 32.628 31.823 -0.142 0.000 0.999 299 V HN 0.502 nan 8.190 nan 0.000 0.439 300 F N 4.314 124.262 119.950 -0.004 0.000 2.390 300 F HA 0.508 5.027 4.527 -0.013 0.000 0.361 300 F C 0.222 176.031 175.800 0.015 0.000 1.124 300 F CA -0.417 57.582 58.000 -0.001 0.000 1.149 300 F CB 1.404 40.411 39.000 0.011 0.000 1.160 300 F HN 0.293 nan 8.300 nan 0.000 0.501 301 V N 5.030 125.030 119.914 0.144 0.000 2.540 301 V HA 0.344 4.456 4.120 -0.013 0.000 0.302 301 V C -0.254 175.887 176.094 0.078 0.000 1.035 301 V CA -0.631 61.722 62.300 0.088 0.000 0.873 301 V CB 1.653 33.492 31.823 0.027 0.000 0.992 301 V HN 0.785 nan 8.190 nan 0.000 0.428 302 Q N 2.906 122.748 119.800 0.070 0.000 2.349 302 Q HA 0.015 4.347 4.340 -0.013 0.000 0.287 302 Q C 0.953 176.975 176.000 0.037 0.000 1.044 302 Q CA 0.795 56.629 55.803 0.052 0.000 0.918 302 Q CB 1.049 29.815 28.738 0.046 0.000 1.242 302 Q HN 1.011 nan 8.270 nan 0.000 0.405 303 D N 0.494 120.912 120.400 0.031 0.000 2.123 303 D HA -0.245 4.387 4.640 -0.013 0.000 0.196 303 D C 1.512 177.823 176.300 0.017 0.000 0.992 303 D CA 1.755 55.769 54.000 0.023 0.000 0.833 303 D CB -0.212 40.601 40.800 0.020 0.000 0.954 303 D HN 0.523 nan 8.370 nan 0.000 0.455 304 S N -0.199 115.511 115.700 0.017 0.000 2.500 304 S HA -0.116 4.346 4.470 -0.013 0.000 0.239 304 S C 1.738 176.345 174.600 0.012 0.000 0.989 304 S CA 0.968 59.176 58.200 0.014 0.000 0.951 304 S CB -0.505 62.704 63.200 0.015 0.000 0.759 304 S HN 0.484 nan 8.310 nan 0.000 0.523 305 V N -3.635 116.287 119.914 0.013 0.000 3.398 305 V HA 0.690 4.802 4.120 -0.013 0.000 0.298 305 V C 2.043 178.138 176.094 0.002 0.000 1.496 305 V CA -0.074 62.232 62.300 0.009 0.000 1.044 305 V CB -0.636 31.195 31.823 0.013 0.000 0.880 305 V HN 0.360 nan 8.190 nan 0.000 0.443 306 A N 1.388 124.211 122.820 0.005 0.000 1.865 306 A HA -0.205 4.108 4.320 -0.013 0.000 0.217 306 A C 1.852 179.431 177.584 -0.009 0.000 1.191 306 A CA 2.544 54.581 52.037 -0.001 0.000 0.623 306 A CB -0.766 18.238 19.000 0.005 0.000 0.826 306 A HN 0.508 nan 8.150 nan 0.000 0.444 307 D N -1.061 119.335 120.400 -0.006 0.000 2.116 307 D HA -0.178 4.454 4.640 -0.013 0.000 0.193 307 D C 2.107 178.399 176.300 -0.013 0.000 0.998 307 D CA 1.871 55.866 54.000 -0.009 0.000 0.836 307 D CB -0.366 40.430 40.800 -0.006 0.000 0.951 307 D HN 0.496 nan 8.370 nan 0.000 0.449 308 Q N 0.120 119.912 119.800 -0.012 0.000 2.079 308 Q HA -0.068 4.264 4.340 -0.013 0.000 0.200 308 Q C 2.045 178.031 176.000 -0.024 0.000 0.974 308 Q CA 0.819 56.613 55.803 -0.015 0.000 0.840 308 Q CB -0.527 28.204 28.738 -0.011 0.000 0.898 308 Q HN 0.309 nan 8.270 nan 0.000 0.430 309 L N -0.653 120.553 121.223 -0.029 0.000 2.017 309 L HA -0.072 4.260 4.340 -0.013 0.000 0.208 309 L C 2.219 179.062 176.870 -0.045 0.000 1.073 309 L CA 1.605 56.416 54.840 -0.047 0.000 0.745 309 L CB -0.868 41.156 42.059 -0.058 0.000 0.894 309 L HN 0.182 nan 8.230 nan 0.000 0.432 310 V N -0.248 119.645 119.914 -0.035 0.000 2.759 310 V HA -0.191 3.922 4.120 -0.013 0.000 0.256 310 V C 2.559 178.638 176.094 -0.026 0.000 1.080 310 V CA 1.461 63.743 62.300 -0.030 0.000 1.101 310 V CB -0.408 31.400 31.823 -0.026 0.000 0.698 310 V HN 0.627 nan 8.190 nan 0.000 0.477 311 A N 0.414 123.219 122.820 -0.025 0.000 1.873 311 A HA -0.185 4.127 4.320 -0.013 0.000 0.215 311 A C 2.005 179.572 177.584 -0.028 0.000 1.186 311 A CA 1.868 53.891 52.037 -0.024 0.000 0.616 311 A CB -0.671 18.317 19.000 -0.020 0.000 0.823 311 A HN 0.644 nan 8.150 nan 0.000 0.442 312 N N 0.535 119.216 118.700 -0.031 0.000 2.058 312 N HA -0.140 4.592 4.740 -0.013 0.000 0.191 312 N C 1.702 177.191 175.510 -0.036 0.000 1.037 312 N CA 1.759 54.789 53.050 -0.034 0.000 0.848 312 N CB -0.667 37.796 38.487 -0.040 0.000 1.021 312 N HN 0.548 nan 8.380 nan 0.000 0.422 313 I N 1.501 122.049 120.570 -0.037 0.000 2.145 313 I HA -0.332 3.830 4.170 -0.013 0.000 0.244 313 I C 2.512 178.612 176.117 -0.027 0.000 1.075 313 I CA 1.377 62.661 61.300 -0.026 0.000 1.332 313 I CB -0.292 37.698 38.000 -0.018 0.000 1.033 313 I HN 0.184 nan 8.210 nan 0.000 0.410 314 K N 0.960 121.342 120.400 -0.029 0.000 2.044 314 K HA -0.297 4.015 4.320 -0.013 0.000 0.210 314 K C 2.168 178.738 176.600 -0.051 0.000 1.049 314 K CA 2.050 58.314 56.287 -0.037 0.000 0.927 314 K CB -0.191 32.291 32.500 -0.031 0.000 0.713 314 K HN 0.342 nan 8.250 nan 0.000 0.443 315 E N 0.535 120.709 120.200 -0.044 0.000 2.031 315 E HA -0.211 4.132 4.350 -0.013 0.000 0.193 315 E C 2.106 178.672 176.600 -0.057 0.000 0.994 315 E CA 1.519 57.892 56.400 -0.045 0.000 0.800 315 E CB -0.107 29.571 29.700 -0.036 0.000 0.752 315 E HN 0.379 nan 8.360 nan 0.000 0.447 316 L N 0.410 121.599 121.223 -0.056 0.000 2.083 316 L HA -0.162 4.170 4.340 -0.013 0.000 0.209 316 L C 2.627 179.433 176.870 -0.107 0.000 1.083 316 L CA 0.560 55.362 54.840 -0.064 0.000 0.752 316 L CB -0.378 41.655 42.059 -0.044 0.000 0.899 316 L HN 0.058 nan 8.230 nan 0.000 0.433 317 V N -0.093 119.740 119.914 -0.135 0.000 2.343 317 V HA -0.271 3.841 4.120 -0.013 0.000 0.247 317 V C 2.268 178.239 176.094 -0.206 0.000 1.051 317 V CA 1.777 63.929 62.300 -0.246 0.000 1.036 317 V CB -0.351 31.326 31.823 -0.244 0.000 0.654 317 V HN 0.428 nan 8.190 nan 0.000 0.451 318 E N -0.861 119.261 120.200 -0.132 0.000 2.418 318 E HA -0.165 4.177 4.350 -0.013 0.000 0.197 318 E C 2.182 178.727 176.600 -0.090 0.000 1.026 318 E CA 0.421 56.760 56.400 -0.102 0.000 0.862 318 E CB 0.021 29.677 29.700 -0.073 0.000 0.799 318 E HN 0.594 nan 8.360 nan 0.000 0.518 319 Q N -0.252 119.492 119.800 -0.094 0.000 2.398 319 Q HA 0.072 4.404 4.340 -0.013 0.000 0.204 319 Q C 0.001 175.949 176.000 -0.085 0.000 0.932 319 Q CA 0.043 55.800 55.803 -0.076 0.000 0.916 319 Q CB 0.356 29.057 28.738 -0.062 0.000 1.024 319 Q HN 0.276 nan 8.270 nan 0.000 0.504 320 L N 2.283 123.432 121.223 -0.124 0.000 2.455 320 L HA 0.072 4.405 4.340 -0.013 0.000 0.272 320 L C 0.675 177.484 176.870 -0.102 0.000 1.174 320 L CA -0.226 54.536 54.840 -0.130 0.000 0.869 320 L CB 0.327 42.254 42.059 -0.220 0.000 1.130 320 L HN 0.054 nan 8.230 nan 0.000 0.474 321 T N 0.478 114.989 114.554 -0.072 0.000 2.889 321 T HA 0.530 4.872 4.350 -0.013 0.000 0.291 321 T C -0.143 174.527 174.700 -0.050 0.000 0.995 321 T CA -0.851 61.217 62.100 -0.054 0.000 1.092 321 T CB 1.568 70.414 68.868 -0.037 0.000 0.954 321 T HN 0.410 nan 8.240 nan 0.000 0.506 322 V N 0.097 119.986 119.914 -0.043 0.000 2.495 322 V HA 0.992 5.104 4.120 -0.013 0.000 0.298 322 V C 0.342 176.423 176.094 -0.021 0.000 1.031 322 V CA 0.109 62.389 62.300 -0.034 0.000 0.871 322 V CB 0.727 32.527 31.823 -0.039 0.000 0.988 322 V HN 1.513 nan 8.190 nan 0.000 0.432 323 G N 3.013 111.806 108.800 -0.012 0.000 2.399 323 G HA2 0.477 4.430 3.960 -0.013 0.000 0.256 323 G HA3 0.477 4.430 3.960 -0.013 0.000 0.256 323 G C -0.499 174.404 174.900 0.004 0.000 1.236 323 G CA -0.091 45.006 45.100 -0.005 0.000 0.914 323 G HN 1.664 nan 8.290 nan 0.000 0.482 324 S N 0.741 116.445 115.700 0.007 0.000 2.601 324 S HA 0.593 5.055 4.470 -0.013 0.000 0.271 324 S C -1.139 173.466 174.600 0.009 0.000 1.305 324 S CA -0.331 57.878 58.200 0.016 0.000 1.022 324 S CB 2.310 65.524 63.200 0.023 0.000 0.940 324 S HN 0.440 nan 8.310 nan 0.000 0.525 325 P HA -0.112 nan 4.420 nan 0.000 0.218 325 P C 0.748 178.018 177.300 -0.049 0.000 1.148 325 P CA 1.274 64.369 63.100 -0.009 0.000 0.822 325 P CB -0.036 31.659 31.700 -0.008 0.000 0.784 326 E N 0.151 120.318 120.200 -0.056 0.000 2.106 326 E HA -0.141 4.201 4.350 -0.013 0.000 0.192 326 E C 1.470 178.047 176.600 -0.038 0.000 0.984 326 E CA 1.096 57.455 56.400 -0.068 0.000 0.806 326 E CB -0.787 28.894 29.700 -0.032 0.000 0.750 326 E HN 0.280 nan 8.360 nan 0.000 0.458 327 D N 0.318 120.706 120.400 -0.020 0.000 2.349 327 D HA -0.055 4.577 4.640 -0.013 0.000 0.224 327 D C -0.101 176.188 176.300 -0.018 0.000 1.029 327 D CA 0.461 54.452 54.000 -0.016 0.000 0.879 327 D CB 0.067 40.861 40.800 -0.009 0.000 0.906 327 D HN 0.019 nan 8.370 nan 0.000 0.528 328 D N -0.390 119.997 120.400 -0.021 0.000 2.907 328 D HA -0.155 4.477 4.640 -0.013 0.000 0.226 328 D C -0.041 176.252 176.300 -0.011 0.000 1.141 328 D CA 0.683 54.672 54.000 -0.018 0.000 0.779 328 D CB -1.182 39.605 40.800 -0.022 0.000 1.095 328 D HN 0.288 nan 8.370 nan 0.000 0.430 329 A N 0.262 123.078 122.820 -0.007 0.000 2.483 329 A HA 0.088 4.401 4.320 -0.013 0.000 0.238 329 A C 1.412 178.997 177.584 0.002 0.000 1.070 329 A CA 0.437 52.470 52.037 -0.007 0.000 0.770 329 A CB 0.447 19.443 19.000 -0.007 0.000 1.008 329 A HN 0.124 nan 8.150 nan 0.000 0.497 330 D N 0.277 120.672 120.400 -0.008 0.000 2.117 330 D HA -0.057 4.575 4.640 -0.013 0.000 0.198 330 D C 0.404 176.715 176.300 0.018 0.000 0.982 330 D CA 1.340 55.342 54.000 0.002 0.000 0.828 330 D CB -0.013 40.773 40.800 -0.024 0.000 0.967 330 D HN 0.393 nan 8.370 nan 0.000 0.464 331 I N 2.428 122.995 120.570 -0.005 0.000 2.359 331 I HA 0.133 4.295 4.170 -0.013 0.000 0.284 331 I C 0.676 176.793 176.117 0.001 0.000 1.018 331 I CA -0.192 61.108 61.300 -0.000 0.000 1.173 331 I CB 0.702 38.685 38.000 -0.030 0.000 1.326 331 I HN -0.174 nan 8.210 nan 0.000 0.462 332 T N 4.211 118.771 114.554 0.011 0.000 2.922 332 T HA 0.648 4.990 4.350 -0.013 0.000 0.281 332 T C -2.741 171.954 174.700 -0.009 0.000 1.005 332 T CA -2.208 59.900 62.100 0.013 0.000 0.982 332 T CB 1.361 70.257 68.868 0.046 0.000 1.158 332 T HN 0.167 nan 8.240 nan 0.000 0.566 333 P HA 0.250 nan 4.420 nan 0.000 0.269 333 P C 0.071 177.349 177.300 -0.037 0.000 1.209 333 P CA -0.601 62.493 63.100 -0.010 0.000 0.776 333 P CB 0.204 31.907 31.700 0.004 0.000 0.876 334 V N 1.467 121.356 119.914 -0.042 0.000 3.133 334 V HA 0.094 4.207 4.120 -0.013 0.000 0.305 334 V C 1.592 177.645 176.094 -0.068 0.000 1.084 334 V CA -0.255 62.008 62.300 -0.061 0.000 1.089 334 V CB -0.137 31.675 31.823 -0.018 0.000 1.073 334 V HN 0.382 nan 8.190 nan 0.000 0.477 335 I N 1.585 122.080 120.570 -0.125 0.000 2.185 335 I HA -0.103 4.060 4.170 -0.013 0.000 0.246 335 I C 0.866 176.872 176.117 -0.184 0.000 1.088 335 I CA 2.262 63.402 61.300 -0.267 0.000 1.347 335 I CB -0.518 37.001 38.000 -0.801 0.000 1.041 335 I HN 1.217 nan 8.210 nan 0.000 0.415 336 D N -2.762 117.564 120.400 -0.123 0.000 2.677 336 D HA 0.080 4.712 4.640 -0.013 0.000 0.298 336 D C 0.723 177.008 176.300 -0.025 0.000 1.250 336 D CA -0.441 53.515 54.000 -0.073 0.000 0.888 336 D CB 0.168 40.914 40.800 -0.091 0.000 1.397 336 D HN -0.011 nan 8.370 nan 0.000 0.461 337 E N 0.212 120.405 120.200 -0.012 0.000 2.038 337 E HA -0.207 4.135 4.350 -0.013 0.000 0.195 337 E C 1.489 178.106 176.600 0.029 0.000 1.000 337 E CA 0.908 57.313 56.400 0.009 0.000 0.803 337 E CB -0.222 29.482 29.700 0.007 0.000 0.750 337 E HN 0.364 nan 8.360 nan 0.000 0.448 338 K N 1.129 121.544 120.400 0.024 0.000 2.034 338 K HA -0.166 4.147 4.320 -0.013 0.000 0.214 338 K C 2.373 179.028 176.600 0.092 0.000 1.051 338 K CA 1.662 57.976 56.287 0.045 0.000 0.931 338 K CB -0.668 31.839 32.500 0.012 0.000 0.715 338 K HN 0.159 nan 8.250 nan 0.000 0.446 339 S N 0.004 115.748 115.700 0.073 0.000 2.356 339 S HA -0.129 4.333 4.470 -0.013 0.000 0.223 339 S C 2.066 176.776 174.600 0.183 0.000 1.032 339 S CA 1.731 60.014 58.200 0.138 0.000 1.005 339 S CB -0.298 62.962 63.200 0.100 0.000 0.867 339 S HN 0.369 nan 8.310 nan 0.000 0.449 340 A N 1.772 124.655 122.820 0.104 0.000 1.883 340 A HA 0.175 4.487 4.320 -0.013 0.000 0.217 340 A C 2.568 180.203 177.584 0.086 0.000 1.186 340 A CA 2.077 54.163 52.037 0.082 0.000 0.624 340 A CB -1.622 17.403 19.000 0.042 0.000 0.822 340 A HN 0.907 nan 8.150 nan 0.000 0.444 341 A N -0.941 121.934 122.820 0.091 0.000 1.873 341 A HA -0.152 4.160 4.320 -0.013 0.000 0.218 341 A C 2.101 179.752 177.584 0.112 0.000 1.193 341 A CA 1.865 53.953 52.037 0.086 0.000 0.629 341 A CB -0.873 18.178 19.000 0.086 0.000 0.826 341 A HN 0.820 nan 8.150 nan 0.000 0.447 342 F N 0.610 120.580 119.950 0.033 0.000 2.126 342 F HA -0.174 4.345 4.527 -0.013 0.000 0.299 342 F C 1.909 177.738 175.800 0.048 0.000 1.096 342 F CA 1.844 59.871 58.000 0.044 0.000 1.255 342 F CB -0.287 38.745 39.000 0.053 0.000 0.997 342 F HN 0.196 nan 8.300 nan 0.000 0.479 343 I N 0.210 120.805 120.570 0.042 0.000 2.163 343 I HA -0.324 3.838 4.170 -0.013 0.000 0.243 343 I C 2.489 178.543 176.117 -0.105 0.000 1.085 343 I CA 1.670 62.936 61.300 -0.056 0.000 1.347 343 I CB -0.786 37.252 38.000 0.064 0.000 1.044 343 I HN 0.193 nan 8.210 nan 0.000 0.408 344 Q N 1.399 121.171 119.800 -0.046 0.000 2.112 344 Q HA -0.187 4.145 4.340 -0.013 0.000 0.206 344 Q C 2.145 178.100 176.000 -0.076 0.000 0.987 344 Q CA 2.306 58.084 55.803 -0.043 0.000 0.858 344 Q CB -0.883 27.848 28.738 -0.012 0.000 0.905 344 Q HN 0.512 nan 8.270 nan 0.000 0.420 345 G N -0.368 108.364 108.800 -0.114 0.000 2.432 345 G HA2 -0.193 3.760 3.960 -0.013 0.000 0.219 345 G HA3 -0.193 3.760 3.960 -0.013 0.000 0.219 345 G C 1.181 175.984 174.900 -0.162 0.000 1.135 345 G CA 0.823 45.849 45.100 -0.125 0.000 0.767 345 G HN 0.352 nan 8.290 nan 0.000 0.550 346 L N 0.481 121.552 121.223 -0.253 0.000 2.056 346 L HA 0.085 4.418 4.340 -0.013 0.000 0.207 346 L C 2.796 179.599 176.870 -0.110 0.000 1.078 346 L CA 1.038 55.753 54.840 -0.207 0.000 0.749 346 L CB -0.504 41.395 42.059 -0.266 0.000 0.901 346 L HN 0.208 nan 8.230 nan 0.000 0.433 347 I N -0.828 119.687 120.570 -0.092 0.000 2.113 347 I HA -0.312 3.850 4.170 -0.013 0.000 0.238 347 I C 2.150 178.241 176.117 -0.043 0.000 1.070 347 I CA 1.225 62.492 61.300 -0.055 0.000 1.332 347 I CB -0.511 37.466 38.000 -0.038 0.000 1.044 347 I HN 0.247 nan 8.210 nan 0.000 0.402 348 D N 0.890 121.265 120.400 -0.042 0.000 2.269 348 D HA -0.315 4.317 4.640 -0.013 0.000 0.191 348 D C 1.714 178.000 176.300 -0.024 0.000 1.007 348 D CA 2.207 56.190 54.000 -0.029 0.000 0.855 348 D CB -0.784 39.999 40.800 -0.028 0.000 0.979 348 D HN 0.390 nan 8.370 nan 0.000 0.452 349 D N -0.150 120.232 120.400 -0.029 0.000 2.172 349 D HA -0.195 4.437 4.640 -0.013 0.000 0.196 349 D C 1.815 178.110 176.300 -0.009 0.000 0.999 349 D CA 2.177 56.168 54.000 -0.015 0.000 0.856 349 D CB -0.103 40.688 40.800 -0.015 0.000 0.934 349 D HN 0.213 nan 8.370 nan 0.000 0.453 350 A N -0.158 122.650 122.820 -0.021 0.000 1.873 350 A HA -0.045 4.268 4.320 -0.013 0.000 0.215 350 A C 2.392 179.967 177.584 -0.015 0.000 1.186 350 A CA 1.103 53.128 52.037 -0.020 0.000 0.616 350 A CB -0.772 18.207 19.000 -0.035 0.000 0.823 350 A HN 0.361 nan 8.150 nan 0.000 0.442 351 L N -0.780 120.433 121.223 -0.016 0.000 2.093 351 L HA -0.159 4.173 4.340 -0.013 0.000 0.208 351 L C 2.611 179.477 176.870 -0.006 0.000 1.085 351 L CA 1.629 56.462 54.840 -0.012 0.000 0.755 351 L CB -0.532 41.519 42.059 -0.013 0.000 0.904 351 L HN 0.580 nan 8.230 nan 0.000 0.435 352 E N 0.619 120.816 120.200 -0.005 0.000 2.153 352 E HA -0.246 4.096 4.350 -0.013 0.000 0.194 352 E C 1.613 178.215 176.600 0.004 0.000 0.988 352 E CA 0.865 57.265 56.400 -0.000 0.000 0.811 352 E CB 0.062 29.762 29.700 0.000 0.000 0.746 352 E HN 0.426 nan 8.360 nan 0.000 0.466 353 N N -0.735 117.969 118.700 0.006 0.000 2.276 353 N HA 0.002 4.735 4.740 -0.013 0.000 0.212 353 N C 0.146 175.661 175.510 0.007 0.000 1.127 353 N CA 0.650 53.706 53.050 0.011 0.000 0.834 353 N CB 0.592 39.091 38.487 0.019 0.000 1.014 353 N HN 0.280 nan 8.380 nan 0.000 0.491 354 G N 0.309 109.110 108.800 0.002 0.000 2.149 354 G HA2 -0.232 3.720 3.960 -0.013 0.000 0.235 354 G HA3 -0.232 3.720 3.960 -0.013 0.000 0.235 354 G C 0.065 174.963 174.900 -0.004 0.000 1.018 354 G CA 0.126 45.226 45.100 0.000 0.000 0.728 354 G HN 0.555 nan 8.290 nan 0.000 0.508 355 A N 0.085 122.900 122.820 -0.009 0.000 2.388 355 A HA 0.723 5.035 4.320 -0.013 0.000 0.257 355 A C 0.836 178.411 177.584 -0.014 0.000 1.095 355 A CA 0.781 52.810 52.037 -0.015 0.000 0.791 355 A CB 0.437 19.422 19.000 -0.024 0.000 1.029 355 A HN 0.878 nan 8.150 nan 0.000 0.489 356 T N 2.676 117.221 114.554 -0.015 0.000 2.794 356 T HA 0.321 4.663 4.350 -0.013 0.000 0.296 356 T C 0.009 174.700 174.700 -0.015 0.000 0.949 356 T CA 0.006 62.098 62.100 -0.013 0.000 1.101 356 T CB 0.284 69.144 68.868 -0.012 0.000 0.905 356 T HN 0.501 nan 8.240 nan 0.000 0.516 357 L N 4.960 126.175 121.223 -0.013 0.000 2.325 357 L HA 0.275 4.607 4.340 -0.013 0.000 0.284 357 L C 0.669 177.531 176.870 -0.013 0.000 1.089 357 L CA -0.065 54.767 54.840 -0.012 0.000 0.836 357 L CB 0.218 42.270 42.059 -0.012 0.000 1.184 357 L HN 0.548 nan 8.230 nan 0.000 0.444 358 L N 3.215 124.431 121.223 -0.012 0.000 2.249 358 L HA 0.297 4.629 4.340 -0.013 0.000 0.207 358 L C 0.720 177.578 176.870 -0.019 0.000 1.090 358 L CA 0.964 55.795 54.840 -0.014 0.000 0.802 358 L CB -0.078 41.973 42.059 -0.013 0.000 0.947 358 L HN 0.768 nan 8.230 nan 0.000 0.453 359 S N -1.900 113.790 115.700 -0.018 0.000 2.552 359 S HA 0.515 4.977 4.470 -0.013 0.000 0.272 359 S C -0.213 174.372 174.600 -0.025 0.000 1.150 359 S CA -0.351 57.832 58.200 -0.028 0.000 0.849 359 S CB 1.034 64.206 63.200 -0.046 0.000 1.113 359 S HN 0.484 nan 8.310 nan 0.000 0.458 360 G N 3.837 112.618 108.800 -0.032 0.000 2.172 360 G HA2 -0.260 3.692 3.960 -0.013 0.000 0.244 360 G HA3 -0.260 3.692 3.960 -0.013 0.000 0.244 360 G C 0.583 175.473 174.900 -0.016 0.000 0.743 360 G CA 0.658 45.740 45.100 -0.031 0.000 1.146 360 G HN 0.797 nan 8.290 nan 0.000 0.327 361 N N 0.672 119.365 118.700 -0.012 0.000 2.270 361 N HA -0.070 4.663 4.740 -0.013 0.000 0.181 361 N C 1.287 176.793 175.510 -0.007 0.000 1.016 361 N CA 0.757 53.803 53.050 -0.007 0.000 0.870 361 N CB -0.046 38.436 38.487 -0.009 0.000 0.979 361 N HN 0.603 nan 8.380 nan 0.000 0.431 362 K N 1.466 121.859 120.400 -0.011 0.000 2.569 362 K HA -0.137 4.176 4.320 -0.013 0.000 0.280 362 K C 0.416 177.012 176.600 -0.008 0.000 0.984 362 K CA 0.471 56.751 56.287 -0.011 0.000 1.064 362 K CB 0.398 32.889 32.500 -0.015 0.000 0.866 362 K HN 0.287 nan 8.250 nan 0.000 0.492 363 R N 2.155 122.652 120.500 -0.005 0.000 2.535 363 R HA 0.098 4.430 4.340 -0.013 0.000 0.274 363 R C -1.362 174.938 176.300 -0.001 0.000 1.090 363 R CA -0.394 55.705 56.100 -0.002 0.000 0.930 363 R CB 1.376 31.677 30.300 0.002 0.000 1.223 363 R HN 0.658 nan 8.270 nan 0.000 0.441 364 Q N 3.395 123.194 119.800 -0.001 0.000 2.607 364 Q HA 0.313 4.646 4.340 -0.013 0.000 0.247 364 Q C 0.440 176.441 176.000 0.002 0.000 1.033 364 Q CA -0.145 55.658 55.803 -0.000 0.000 0.769 364 Q CB 1.918 30.655 28.738 -0.002 0.000 1.169 364 Q HN 1.032 nan 8.270 nan 0.000 0.508 365 G N 3.487 112.289 108.800 0.004 0.000 2.720 365 G HA2 -0.402 3.551 3.960 -0.013 0.000 0.293 365 G HA3 -0.402 3.551 3.960 -0.013 0.000 0.293 365 G C 0.647 175.551 174.900 0.006 0.000 1.256 365 G CA 0.473 45.576 45.100 0.005 0.000 0.974 365 G HN 0.568 nan 8.290 nan 0.000 0.551 366 N N 0.092 118.794 118.700 0.004 0.000 2.333 366 N HA 0.074 4.806 4.740 -0.013 0.000 0.178 366 N C 0.770 176.281 175.510 0.001 0.000 1.018 366 N CA 0.455 53.506 53.050 0.002 0.000 0.882 366 N CB 0.191 38.678 38.487 -0.001 0.000 0.984 366 N HN 0.341 nan 8.380 nan 0.000 0.434 367 L N 2.299 123.522 121.223 0.001 0.000 2.315 367 L HA 0.265 4.597 4.340 -0.013 0.000 0.283 367 L C -1.000 175.870 176.870 -0.001 0.000 1.089 367 L CA 0.149 54.989 54.840 -0.001 0.000 0.833 367 L CB 0.499 42.557 42.059 -0.002 0.000 1.170 367 L HN -0.067 nan 8.230 nan 0.000 0.442 368 L N 4.173 125.396 121.223 0.001 0.000 2.322 368 L HA 0.460 4.792 4.340 -0.013 0.000 0.281 368 L C 0.440 177.310 176.870 0.001 0.000 1.014 368 L CA 0.142 54.985 54.840 0.005 0.000 0.815 368 L CB 1.896 43.965 42.059 0.016 0.000 1.247 368 L HN 0.572 nan 8.230 nan 0.000 0.421 369 S N 4.662 120.357 115.700 -0.008 0.000 2.558 369 S HA 0.161 4.623 4.470 -0.013 0.000 0.288 369 S C -2.276 172.314 174.600 -0.016 0.000 1.318 369 S CA -0.635 57.549 58.200 -0.026 0.000 1.056 369 S CB 0.248 63.430 63.200 -0.031 0.000 0.853 369 S HN 0.356 nan 8.310 nan 0.000 0.505 370 P HA 0.103 nan 4.420 nan 0.000 0.267 370 P C -0.883 176.414 177.300 -0.004 0.000 1.205 370 P CA -0.104 62.949 63.100 -0.077 0.000 0.765 370 P CB 0.213 31.570 31.700 -0.571 0.000 0.828 371 T N 4.284 118.935 114.554 0.162 0.000 2.770 371 T HA 0.408 4.750 4.350 -0.013 0.000 0.283 371 T C -0.273 174.517 174.700 0.151 0.000 0.988 371 T CA -0.371 61.789 62.100 0.101 0.000 0.957 371 T CB 0.676 69.581 68.868 0.062 0.000 0.930 371 T HN 0.182 nan 8.240 nan 0.000 0.443 372 L N 4.959 126.231 121.223 0.081 0.000 2.305 372 L HA 0.647 4.979 4.340 -0.013 0.000 0.284 372 L C -1.284 175.597 176.870 0.018 0.000 1.013 372 L CA -0.539 54.343 54.840 0.071 0.000 0.819 372 L CB 0.755 42.845 42.059 0.053 0.000 1.227 372 L HN 0.586 nan 8.230 nan 0.000 0.417 373 L N 3.969 125.191 121.223 -0.000 0.000 2.346 373 L HA 0.625 4.957 4.340 -0.013 0.000 0.274 373 L C -0.736 176.114 176.870 -0.034 0.000 1.007 373 L CA -0.707 54.120 54.840 -0.022 0.000 0.818 373 L CB 1.926 43.964 42.059 -0.035 0.000 1.284 373 L HN 0.494 nan 8.230 nan 0.000 0.424 374 D N 0.411 120.793 120.400 -0.031 0.000 2.414 374 D HA 0.218 4.851 4.640 -0.013 0.000 0.241 374 D C -0.260 176.021 176.300 -0.033 0.000 1.008 374 D CA -0.090 53.890 54.000 -0.033 0.000 1.001 374 D CB 1.552 42.338 40.800 -0.023 0.000 1.277 374 D HN 0.608 nan 8.370 nan 0.000 0.538 375 D N -0.070 120.312 120.400 -0.030 0.000 2.837 375 D HA -0.135 4.497 4.640 -0.013 0.000 0.230 375 D C -0.264 176.019 176.300 -0.027 0.000 1.152 375 D CA 0.326 54.313 54.000 -0.021 0.000 0.736 375 D CB -1.020 39.773 40.800 -0.011 0.000 1.084 375 D HN 0.055 nan 8.370 nan 0.000 0.429 376 V N 1.048 120.931 119.914 -0.051 0.000 2.637 376 V HA 0.195 4.307 4.120 -0.013 0.000 0.296 376 V C 1.280 177.337 176.094 -0.062 0.000 1.046 376 V CA 0.620 62.877 62.300 -0.070 0.000 1.066 376 V CB 1.535 33.288 31.823 -0.118 0.000 0.968 376 V HN 0.315 nan 8.190 nan 0.000 0.483 377 T N 2.712 117.242 114.554 -0.042 0.000 2.918 377 T HA 0.453 4.795 4.350 -0.013 0.000 0.286 377 T C -2.066 172.638 174.700 0.007 0.000 1.026 377 T CA -2.220 59.880 62.100 0.000 0.000 1.031 377 T CB 1.905 70.793 68.868 0.033 0.000 1.046 377 T HN 0.384 nan 8.240 nan 0.000 0.479 378 P HA 0.049 nan 4.420 nan 0.000 0.226 378 P C 1.193 178.755 177.300 0.437 0.000 1.146 378 P CA 0.702 63.976 63.100 0.290 0.000 0.773 378 P CB -0.178 31.753 31.700 0.385 0.000 0.772 379 A N -1.745 121.212 122.820 0.230 0.000 2.169 379 A HA 0.084 4.396 4.320 -0.013 0.000 0.212 379 A C 1.097 178.786 177.584 0.175 0.000 1.153 379 A CA 0.433 52.587 52.037 0.195 0.000 0.756 379 A CB -0.769 18.300 19.000 0.115 0.000 0.813 379 A HN 0.151 nan 8.150 nan 0.000 0.471 380 M N -0.511 119.171 119.600 0.136 0.000 2.233 380 M HA 0.309 4.781 4.480 -0.013 0.000 0.355 380 M C 0.940 177.321 176.300 0.135 0.000 1.191 380 M CA -0.389 54.961 55.300 0.084 0.000 1.101 380 M CB 1.173 33.776 32.600 0.006 0.000 1.592 380 M HN 0.156 nan 8.290 nan 0.000 0.461 381 R N 0.983 121.560 120.500 0.129 0.000 2.105 381 R HA -0.111 4.221 4.340 -0.013 0.000 0.239 381 R C 1.818 178.194 176.300 0.126 0.000 1.135 381 R CA 1.093 57.298 56.100 0.174 0.000 0.967 381 R CB -0.307 30.046 30.300 0.089 0.000 0.861 381 R HN 0.603 nan 8.270 nan 0.000 0.442 382 V N 0.771 120.691 119.914 0.010 0.000 3.078 382 V HA -0.069 4.043 4.120 -0.013 0.000 0.265 382 V C 1.761 177.785 176.094 -0.117 0.000 1.122 382 V CA 1.439 63.713 62.300 -0.043 0.000 1.141 382 V CB -0.092 31.686 31.823 -0.074 0.000 0.735 382 V HN 0.384 nan 8.190 nan 0.000 0.498 383 A N -2.033 120.646 122.820 -0.235 0.000 2.208 383 A HA 0.013 4.326 4.320 -0.013 0.000 0.209 383 A C 1.607 178.793 177.584 -0.663 0.000 1.161 383 A CA 0.912 52.606 52.037 -0.573 0.000 0.782 383 A CB -0.321 18.178 19.000 -0.836 0.000 0.816 383 A HN 0.771 nan 8.150 nan 0.000 0.477 384 W N -0.784 120.573 121.300 0.095 0.000 4.545 384 W HA 0.220 4.872 4.660 -0.013 0.000 0.198 384 W C 0.110 176.765 176.519 0.228 0.000 1.012 384 W CA -0.412 57.027 57.345 0.157 0.000 1.903 384 W CB 0.289 29.827 29.460 0.130 0.000 0.746 384 W HN 0.014 nan 8.180 nan 0.000 0.948 385 E N 2.775 123.230 120.200 0.425 0.000 2.257 385 E HA 0.039 4.381 4.350 -0.013 0.000 0.278 385 E C -0.211 176.578 176.600 0.316 0.000 1.049 385 E CA -0.121 56.523 56.400 0.407 0.000 0.876 385 E CB 0.877 30.809 29.700 0.386 0.000 1.035 385 E HN 0.050 nan 8.360 nan 0.000 0.419 386 E N 5.282 125.657 120.200 0.291 0.000 2.406 386 E HA -0.035 4.307 4.350 -0.013 0.000 0.258 386 E C -1.736 175.071 176.600 0.345 0.000 1.043 386 E CA -1.337 55.168 56.400 0.176 0.000 0.929 386 E CB 0.626 30.317 29.700 -0.016 0.000 0.969 386 E HN 0.244 nan 8.360 nan 0.000 0.462 387 P HA 0.035 nan 4.420 nan 0.000 0.224 387 P C -0.219 177.356 177.300 0.458 0.000 1.157 387 P CA 0.008 63.330 63.100 0.369 0.000 0.799 387 P CB 0.118 31.895 31.700 0.129 0.000 0.809 388 F N -0.258 119.765 119.950 0.120 0.000 3.027 388 F HA -0.095 4.424 4.527 -0.013 0.000 0.276 388 F C 0.647 176.487 175.800 0.067 0.000 0.967 388 F CA 1.094 59.146 58.000 0.087 0.000 0.929 388 F CB -1.393 37.681 39.000 0.122 0.000 0.873 388 F HN 0.105 nan 8.300 nan 0.000 0.787 389 G N -0.154 108.648 108.800 0.004 0.000 2.601 389 G HA2 0.564 4.516 3.960 -0.013 0.000 0.291 389 G HA3 0.564 4.516 3.960 -0.013 0.000 0.291 389 G C -3.242 171.630 174.900 -0.045 0.000 1.456 389 G CA -0.821 44.272 45.100 -0.011 0.000 0.804 389 G HN -0.147 nan 8.290 nan 0.000 0.499 390 P HA 0.345 nan 4.420 nan 0.000 0.230 390 P C -0.575 176.849 177.300 0.207 0.000 1.791 390 P CA -0.064 63.128 63.100 0.152 0.000 1.020 390 P CB 0.769 32.608 31.700 0.232 0.000 1.977 391 V N 4.234 124.135 119.914 -0.021 0.000 2.808 391 V HA 0.604 4.716 4.120 -0.013 0.000 0.308 391 V C -1.582 174.409 176.094 -0.173 0.000 1.099 391 V CA -1.098 61.195 62.300 -0.012 0.000 0.920 391 V CB 2.729 34.542 31.823 -0.017 0.000 1.014 391 V HN 0.116 nan 8.190 nan 0.000 0.425 392 L N 9.166 130.327 121.223 -0.103 0.000 2.482 392 L HA 0.788 5.120 4.340 -0.013 0.000 0.269 392 L C -2.766 174.043 176.870 -0.101 0.000 0.967 392 L CA -1.343 53.393 54.840 -0.174 0.000 0.851 392 L CB 2.654 44.573 42.059 -0.234 0.000 1.242 392 L HN 0.498 nan 8.230 nan 0.000 0.404 393 P HA 0.412 nan 4.420 nan 0.000 0.286 393 P C -1.179 176.021 177.300 -0.167 0.000 1.261 393 P CA -0.417 62.596 63.100 -0.145 0.000 0.821 393 P CB 1.634 33.222 31.700 -0.186 0.000 1.013 394 I N 3.426 123.917 120.570 -0.132 0.000 2.404 394 I HA 0.422 4.584 4.170 -0.013 0.000 0.293 394 I C 0.491 176.529 176.117 -0.133 0.000 0.992 394 I CA -0.880 60.342 61.300 -0.131 0.000 1.149 394 I CB 1.047 39.001 38.000 -0.076 0.000 1.315 394 I HN 0.261 nan 8.210 nan 0.000 0.446 395 I N 5.989 126.465 120.570 -0.157 0.000 2.382 395 I HA 0.326 4.489 4.170 -0.013 0.000 0.285 395 I C 0.252 176.383 176.117 0.022 0.000 1.007 395 I CA -0.684 60.563 61.300 -0.088 0.000 1.142 395 I CB 0.964 38.869 38.000 -0.158 0.000 1.289 395 I HN 0.386 nan 8.210 nan 0.000 0.453 396 R N 5.774 126.291 120.500 0.028 0.000 2.316 396 R HA 0.493 4.825 4.340 -0.013 0.000 0.314 396 R C -0.697 175.648 176.300 0.076 0.000 1.069 396 R CA -0.393 55.733 56.100 0.044 0.000 0.959 396 R CB 0.838 31.151 30.300 0.023 0.000 0.987 396 R HN 0.303 nan 8.270 nan 0.000 0.446 397 V N 2.761 122.730 119.914 0.091 0.000 3.046 397 V HA 0.197 4.309 4.120 -0.013 0.000 0.316 397 V C 1.153 177.278 176.094 0.052 0.000 1.104 397 V CA -0.779 61.574 62.300 0.088 0.000 1.006 397 V CB 2.329 34.229 31.823 0.128 0.000 1.058 397 V HN 0.752 nan 8.190 nan 0.000 0.440 398 K N 0.273 120.692 120.400 0.033 0.000 2.128 398 K HA 0.086 4.398 4.320 -0.013 0.000 0.202 398 K C -0.071 176.539 176.600 0.016 0.000 1.050 398 K CA 1.263 57.563 56.287 0.021 0.000 0.966 398 K CB 0.357 32.865 32.500 0.013 0.000 0.759 398 K HN 0.997 nan 8.250 nan 0.000 0.454 399 D N -3.201 117.203 120.400 0.007 0.000 2.759 399 D HA 0.217 4.849 4.640 -0.013 0.000 0.321 399 D C 0.204 176.497 176.300 -0.012 0.000 1.267 399 D CA -0.339 53.661 54.000 0.000 0.000 0.933 399 D CB 0.532 41.326 40.800 -0.010 0.000 1.431 399 D HN -0.112 nan 8.370 nan 0.000 0.504 400 A N -0.066 122.745 122.820 -0.014 0.000 1.933 400 A HA -0.183 4.130 4.320 -0.013 0.000 0.218 400 A C 1.624 179.165 177.584 -0.072 0.000 1.175 400 A CA 1.433 53.454 52.037 -0.027 0.000 0.628 400 A CB -1.007 17.985 19.000 -0.014 0.000 0.814 400 A HN 0.577 nan 8.150 nan 0.000 0.444 401 N N -0.247 118.408 118.700 -0.074 0.000 2.069 401 N HA -0.216 4.516 4.740 -0.013 0.000 0.191 401 N C 1.810 177.259 175.510 -0.102 0.000 1.031 401 N CA 1.716 54.708 53.050 -0.096 0.000 0.852 401 N CB -0.333 38.107 38.487 -0.079 0.000 1.018 401 N HN 0.781 nan 8.380 nan 0.000 0.423 402 E N 0.923 121.070 120.200 -0.088 0.000 2.106 402 E HA -0.070 4.272 4.350 -0.013 0.000 0.192 402 E C 1.915 178.382 176.600 -0.221 0.000 0.984 402 E CA 0.782 57.120 56.400 -0.103 0.000 0.806 402 E CB 0.033 29.701 29.700 -0.053 0.000 0.750 402 E HN 0.310 nan 8.360 nan 0.000 0.458 403 A N 1.156 123.828 122.820 -0.247 0.000 1.902 403 A HA -0.158 4.155 4.320 -0.013 0.000 0.217 403 A C 2.140 179.425 177.584 -0.497 0.000 1.181 403 A CA 1.192 52.939 52.037 -0.484 0.000 0.623 403 A CB -0.585 18.303 19.000 -0.186 0.000 0.818 403 A HN 0.316 nan 8.150 nan 0.000 0.443 404 I N -0.728 119.701 120.570 -0.236 0.000 2.163 404 I HA -0.249 3.913 4.170 -0.013 0.000 0.243 404 I C 2.899 178.938 176.117 -0.130 0.000 1.085 404 I CA 1.651 62.866 61.300 -0.140 0.000 1.347 404 I CB -0.336 37.605 38.000 -0.099 0.000 1.044 404 I HN 0.447 nan 8.210 nan 0.000 0.408 405 S N 1.046 116.666 115.700 -0.133 0.000 2.348 405 S HA -0.161 4.301 4.470 -0.013 0.000 0.221 405 S C 2.082 176.660 174.600 -0.037 0.000 1.033 405 S CA 1.417 59.576 58.200 -0.067 0.000 1.010 405 S CB -0.378 62.791 63.200 -0.052 0.000 0.891 405 S HN 0.326 nan 8.310 nan 0.000 0.442 406 L N 1.163 122.306 121.223 -0.134 0.000 2.131 406 L HA -0.059 4.273 4.340 -0.013 0.000 0.210 406 L C 2.868 179.793 176.870 0.092 0.000 1.092 406 L CA 1.318 56.157 54.840 -0.003 0.000 0.759 406 L CB -0.578 41.383 42.059 -0.164 0.000 0.903 406 L HN 0.438 nan 8.230 nan 0.000 0.435 407 S N 0.431 116.013 115.700 -0.196 0.000 2.348 407 S HA -0.181 4.281 4.470 -0.013 0.000 0.221 407 S C 1.784 176.502 174.600 0.196 0.000 1.033 407 S CA 1.702 59.961 58.200 0.099 0.000 1.010 407 S CB -0.174 63.025 63.200 -0.003 0.000 0.891 407 S HN 0.452 nan 8.310 nan 0.000 0.442 408 N N 1.065 119.832 118.700 0.111 0.000 2.459 408 N HA 0.042 4.774 4.740 -0.013 0.000 0.181 408 N C 1.740 177.326 175.510 0.126 0.000 1.046 408 N CA 0.554 53.671 53.050 0.112 0.000 0.904 408 N CB -0.417 38.109 38.487 0.065 0.000 0.964 408 N HN 0.609 nan 8.380 nan 0.000 0.444 409 Q N 0.164 120.072 119.800 0.180 0.000 2.224 409 Q HA 0.014 4.346 4.340 -0.013 0.000 0.203 409 Q C 0.508 176.554 176.000 0.077 0.000 0.970 409 Q CA 0.341 56.213 55.803 0.115 0.000 0.865 409 Q CB 0.048 28.871 28.738 0.142 0.000 0.922 409 Q HN 0.152 nan 8.270 nan 0.000 0.445 410 S N 0.660 116.565 115.700 0.341 0.000 2.563 410 S HA -0.077 4.385 4.470 -0.013 0.000 0.284 410 S C 0.510 175.163 174.600 0.089 0.000 1.331 410 S CA -0.440 57.960 58.200 0.334 0.000 1.047 410 S CB 0.541 64.058 63.200 0.529 0.000 0.859 410 S HN 0.177 nan 8.310 nan 0.000 0.514 411 D N 2.140 122.491 120.400 -0.081 0.000 2.310 411 D HA -0.001 4.631 4.640 -0.013 0.000 0.212 411 D C 0.108 176.265 176.300 -0.237 0.000 0.965 411 D CA 1.004 54.869 54.000 -0.225 0.000 0.879 411 D CB -0.074 40.500 40.800 -0.377 0.000 0.921 411 D HN 0.575 nan 8.370 nan 0.000 0.510 412 Y N -0.114 120.259 120.300 0.121 0.000 2.334 412 Y HA 0.471 5.014 4.550 -0.013 0.000 0.325 412 Y C 1.616 177.576 175.900 0.100 0.000 1.308 412 Y CA -0.435 57.732 58.100 0.112 0.000 1.389 412 Y CB 1.295 39.837 38.460 0.137 0.000 1.328 412 Y HN -0.152 nan 8.280 nan 0.000 0.532 413 G N 0.510 109.476 108.800 0.277 0.000 5.312 413 G HA2 0.165 4.117 3.960 -0.013 0.000 0.204 413 G HA3 0.165 4.117 3.960 -0.013 0.000 0.204 413 G C -0.245 174.718 174.900 0.107 0.000 1.097 413 G CA -0.232 44.962 45.100 0.157 0.000 0.621 413 G HN 0.486 nan 8.290 nan 0.000 0.290 414 L N -0.222 121.073 121.223 0.119 0.000 2.051 414 L HA 0.557 4.889 4.340 -0.013 0.000 0.202 414 L C 0.970 177.877 176.870 0.063 0.000 1.097 414 L CA 1.779 56.653 54.840 0.056 0.000 0.762 414 L CB -0.406 41.702 42.059 0.081 0.000 0.913 414 L HN 0.336 nan 8.230 nan 0.000 0.447 415 Q N -1.942 117.927 119.800 0.115 0.000 2.615 415 Q HA 0.714 5.046 4.340 -0.013 0.000 0.298 415 Q C -1.692 174.398 176.000 0.149 0.000 1.023 415 Q CA -0.547 55.347 55.803 0.150 0.000 0.768 415 Q CB 2.463 31.330 28.738 0.215 0.000 1.500 415 Q HN 0.371 nan 8.270 nan 0.000 0.441 416 A N 0.342 123.265 122.820 0.172 0.000 2.608 416 A HA 0.733 5.045 4.320 -0.013 0.000 0.292 416 A C -1.532 176.135 177.584 0.139 0.000 1.066 416 A CA -0.542 51.584 52.037 0.148 0.000 0.676 416 A CB 1.909 20.991 19.000 0.137 0.000 1.277 416 A HN 0.441 nan 8.150 nan 0.000 0.413 417 S N 0.866 116.627 115.700 0.102 0.000 2.482 417 S HA 0.725 5.187 4.470 -0.013 0.000 0.303 417 S C -0.603 173.965 174.600 -0.054 0.000 1.091 417 S CA -0.540 57.645 58.200 -0.025 0.000 1.057 417 S CB 1.029 64.227 63.200 -0.003 0.000 1.031 417 S HN 0.528 nan 8.310 nan 0.000 0.485 418 I N 2.546 122.987 120.570 -0.215 0.000 2.433 418 I HA 0.485 4.648 4.170 -0.013 0.000 0.292 418 I C -1.132 174.781 176.117 -0.340 0.000 1.001 418 I CA -0.707 60.518 61.300 -0.124 0.000 1.119 418 I CB 0.757 38.734 38.000 -0.037 0.000 1.289 418 I HN 0.503 nan 8.210 nan 0.000 0.438 419 F N 3.775 123.762 119.950 0.061 0.000 2.449 419 F HA 0.675 5.195 4.527 -0.013 0.000 0.342 419 F C 0.175 176.001 175.800 0.042 0.000 1.127 419 F CA -0.229 57.801 58.000 0.050 0.000 0.975 419 F CB 2.091 41.118 39.000 0.045 0.000 1.146 419 F HN 0.429 nan 8.300 nan 0.000 0.444 420 T N 1.540 116.201 114.554 0.178 0.000 2.907 420 T HA 0.198 4.541 4.350 -0.013 0.000 0.344 420 T C 0.120 174.869 174.700 0.082 0.000 1.675 420 T CA -1.202 60.963 62.100 0.108 0.000 1.076 420 T CB 1.999 70.907 68.868 0.067 0.000 1.483 420 T HN 0.300 nan 8.240 nan 0.000 0.487 421 K N 0.256 120.696 120.400 0.065 0.000 2.356 421 K HA 0.086 4.399 4.320 -0.013 0.000 0.195 421 K C 0.292 176.913 176.600 0.036 0.000 1.037 421 K CA 0.166 56.483 56.287 0.050 0.000 1.014 421 K CB 0.178 32.704 32.500 0.044 0.000 0.815 421 K HN 0.546 nan 8.250 nan 0.000 0.507 422 D N 2.072 122.493 120.400 0.035 0.000 2.517 422 D HA 0.054 4.687 4.640 -0.013 0.000 0.220 422 D C 0.396 176.709 176.300 0.021 0.000 1.158 422 D CA 0.158 54.174 54.000 0.026 0.000 0.992 422 D CB 0.639 41.455 40.800 0.026 0.000 1.058 422 D HN -0.039 nan 8.370 nan 0.000 0.516 423 T N 1.768 116.332 114.554 0.016 0.000 2.684 423 T HA -0.168 4.174 4.350 -0.013 0.000 0.267 423 T C 1.148 175.851 174.700 0.005 0.000 1.036 423 T CA 1.091 63.196 62.100 0.007 0.000 1.148 423 T CB 0.053 68.924 68.868 0.005 0.000 0.863 423 T HN 0.399 nan 8.240 nan 0.000 0.436 424 D N 0.610 121.014 120.400 0.007 0.000 2.116 424 D HA -0.102 4.530 4.640 -0.013 0.000 0.193 424 D C 2.264 178.571 176.300 0.012 0.000 0.998 424 D CA 1.073 55.077 54.000 0.006 0.000 0.836 424 D CB -0.333 40.471 40.800 0.008 0.000 0.951 424 D HN 0.295 nan 8.370 nan 0.000 0.449 425 R N 0.543 121.053 120.500 0.017 0.000 2.080 425 R HA -0.121 4.211 4.340 -0.013 0.000 0.236 425 R C 2.277 178.593 176.300 0.027 0.000 1.137 425 R CA 1.515 57.629 56.100 0.024 0.000 0.943 425 R CB -0.271 30.043 30.300 0.023 0.000 0.846 425 R HN 0.122 nan 8.270 nan 0.000 0.431 426 A N 0.954 123.785 122.820 0.019 0.000 1.927 426 A HA -0.223 4.090 4.320 -0.013 0.000 0.220 426 A C 2.149 179.737 177.584 0.008 0.000 1.185 426 A CA 1.791 53.835 52.037 0.011 0.000 0.639 426 A CB -0.647 18.350 19.000 -0.006 0.000 0.820 426 A HN 0.393 nan 8.150 nan 0.000 0.451 427 I N -0.509 120.062 120.570 0.002 0.000 2.252 427 I HA -0.244 3.919 4.170 -0.013 0.000 0.245 427 I C 2.480 178.601 176.117 0.006 0.000 1.102 427 I CA 1.149 62.444 61.300 -0.008 0.000 1.385 427 I CB -0.424 37.567 38.000 -0.016 0.000 1.064 427 I HN 0.409 nan 8.210 nan 0.000 0.414 428 N N 1.044 119.760 118.700 0.027 0.000 2.069 428 N HA -0.169 4.563 4.740 -0.013 0.000 0.191 428 N C 2.006 177.600 175.510 0.139 0.000 1.031 428 N CA 1.598 54.686 53.050 0.063 0.000 0.852 428 N CB -0.080 38.453 38.487 0.076 0.000 1.018 428 N HN 0.267 nan 8.380 nan 0.000 0.423 429 I N 0.786 121.428 120.570 0.121 0.000 2.142 429 I HA -0.180 3.983 4.170 -0.013 0.000 0.240 429 I C 2.488 178.686 176.117 0.136 0.000 1.078 429 I CA 1.297 62.684 61.300 0.145 0.000 1.343 429 I CB -0.632 37.407 38.000 0.065 0.000 1.046 429 I HN 0.157 nan 8.210 nan 0.000 0.405 430 G N 0.357 109.196 108.800 0.064 0.000 2.485 430 G HA2 -0.346 3.607 3.960 -0.013 0.000 0.221 430 G HA3 -0.346 3.607 3.960 -0.013 0.000 0.221 430 G C 1.660 176.572 174.900 0.019 0.000 1.115 430 G CA 1.074 46.195 45.100 0.035 0.000 0.751 430 G HN 0.225 nan 8.290 nan 0.000 0.567 431 K N 0.186 120.581 120.400 -0.009 0.000 2.217 431 K HA -0.020 4.292 4.320 -0.013 0.000 0.202 431 K C 1.909 178.413 176.600 -0.159 0.000 1.051 431 K CA 0.724 56.947 56.287 -0.108 0.000 0.952 431 K CB -0.186 32.208 32.500 -0.178 0.000 0.736 431 K HN 0.488 nan 8.250 nan 0.000 0.453 432 H N -0.285 118.781 119.070 -0.007 0.000 2.547 432 H HA 0.096 4.645 4.556 -0.013 0.000 0.266 432 H C -0.246 175.083 175.328 0.002 0.000 0.988 432 H CA 0.154 56.199 56.048 -0.004 0.000 1.147 432 H CB 0.095 29.852 29.762 -0.008 0.000 1.365 432 H HN 0.080 nan 8.280 nan 0.000 0.589 433 L N 1.795 123.076 121.223 0.096 0.000 2.276 433 L HA 0.147 4.480 4.340 -0.013 0.000 0.286 433 L C 0.436 177.339 176.870 0.054 0.000 1.061 433 L CA -0.254 54.632 54.840 0.077 0.000 0.807 433 L CB 1.372 43.476 42.059 0.075 0.000 1.177 433 L HN 0.036 nan 8.230 nan 0.000 0.429 434 E N 3.916 124.153 120.200 0.061 0.000 1.972 434 E HA 0.186 4.529 4.350 -0.013 0.000 0.292 434 E C -0.472 176.161 176.600 0.055 0.000 1.193 434 E CA -0.201 56.228 56.400 0.048 0.000 1.228 434 E CB 0.197 29.927 29.700 0.050 0.000 1.167 434 E HN 0.428 nan 8.360 nan 0.000 0.479 435 V N -2.664 117.275 119.914 0.041 0.000 3.181 435 V HA 0.662 4.774 4.120 -0.013 0.000 0.308 435 V C 1.024 177.122 176.094 0.006 0.000 1.214 435 V CA -0.575 61.750 62.300 0.041 0.000 1.053 435 V CB 1.386 33.250 31.823 0.069 0.000 1.069 435 V HN 0.275 nan 8.190 nan 0.000 0.441 436 G N 0.694 109.485 108.800 -0.014 0.000 2.394 436 G HA2 0.227 4.179 3.960 -0.013 0.000 0.214 436 G HA3 0.227 4.179 3.960 -0.013 0.000 0.214 436 G C 0.543 175.422 174.900 -0.035 0.000 1.176 436 G CA 1.244 46.315 45.100 -0.048 0.000 0.786 436 G HN 0.920 nan 8.290 nan 0.000 0.533 437 T N -0.126 114.428 114.554 0.000 0.000 2.886 437 T HA 0.541 4.883 4.350 -0.013 0.000 0.292 437 T C -1.009 173.704 174.700 0.021 0.000 1.012 437 T CA -0.457 61.635 62.100 -0.014 0.000 0.982 437 T CB 2.773 71.655 68.868 0.022 0.000 1.018 437 T HN -0.038 nan 8.240 nan 0.000 0.451 438 V N 3.909 123.792 119.914 -0.052 0.000 2.417 438 V HA 0.375 4.487 4.120 -0.013 0.000 0.291 438 V C -0.264 175.766 176.094 -0.107 0.000 1.024 438 V CA -0.859 61.434 62.300 -0.012 0.000 0.861 438 V CB 1.140 32.950 31.823 -0.021 0.000 0.985 438 V HN 0.854 nan 8.190 nan 0.000 0.436 439 H N 5.014 124.060 119.070 -0.040 0.000 2.519 439 H HA 0.411 4.959 4.556 -0.013 0.000 0.316 439 H C -0.688 174.545 175.328 -0.159 0.000 1.065 439 H CA -0.723 55.285 56.048 -0.067 0.000 1.264 439 H CB 1.911 31.645 29.762 -0.047 0.000 1.413 439 H HN 0.358 nan 8.280 nan 0.000 0.465 440 I N 3.797 124.333 120.570 -0.057 0.000 2.322 440 I HA -0.049 4.114 4.170 -0.013 0.000 0.292 440 I C 0.796 176.816 176.117 -0.160 0.000 1.060 440 I CA -0.201 61.023 61.300 -0.127 0.000 1.309 440 I CB -0.121 37.836 38.000 -0.073 0.000 1.415 440 I HN 0.706 nan 8.210 nan 0.000 0.492 441 N N 3.882 122.354 118.700 -0.381 0.000 2.747 441 N HA -0.183 4.549 4.740 -0.013 0.000 0.249 441 N C -0.274 175.187 175.510 -0.082 0.000 1.107 441 N CA 1.099 53.985 53.050 -0.274 0.000 0.707 441 N CB -0.480 38.003 38.487 -0.007 0.000 1.054 441 N HN 0.848 nan 8.380 nan 0.000 0.555 442 A N -0.664 122.038 122.820 -0.197 0.000 2.610 442 A HA 0.577 4.889 4.320 -0.013 0.000 0.291 442 A C -0.117 177.482 177.584 0.025 0.000 1.086 442 A CA -0.736 51.336 52.037 0.058 0.000 0.677 442 A CB 1.245 20.302 19.000 0.095 0.000 1.278 442 A HN 0.198 nan 8.150 nan 0.000 0.414 443 K N -0.117 120.321 120.400 0.064 0.000 2.132 443 K HA 0.507 4.819 4.320 -0.013 0.000 0.240 443 K C 0.082 176.468 176.600 -0.357 0.000 1.036 443 K CA 0.339 56.622 56.287 -0.007 0.000 0.888 443 K CB 0.113 32.623 32.500 0.017 0.000 1.071 443 K HN 0.791 nan 8.250 nan 0.000 0.502 444 T N -1.186 113.179 114.554 -0.315 0.000 2.910 444 T HA 0.292 4.634 4.350 -0.013 0.000 0.293 444 T C -0.349 174.158 174.700 -0.321 0.000 1.015 444 T CA -0.755 61.038 62.100 -0.512 0.000 1.094 444 T CB 0.713 69.512 68.868 -0.114 0.000 0.968 444 T HN 0.796 nan 8.240 nan 0.000 0.521 445 E N 1.366 121.418 120.200 -0.246 0.000 2.401 445 E HA 0.311 4.653 4.350 -0.013 0.000 0.280 445 E C 0.367 177.000 176.600 0.055 0.000 1.039 445 E CA -1.209 55.153 56.400 -0.063 0.000 0.814 445 E CB 1.209 30.862 29.700 -0.079 0.000 1.275 445 E HN 0.438 nan 8.360 nan 0.000 0.448 446 R N 1.497 121.928 120.500 -0.116 0.000 2.062 446 R HA 0.022 4.355 4.340 -0.013 0.000 0.229 446 R C 1.017 177.209 176.300 -0.180 0.000 1.128 446 R CA 1.609 57.510 56.100 -0.332 0.000 0.960 446 R CB -0.557 29.273 30.300 -0.783 0.000 0.855 446 R HN 0.596 nan 8.270 nan 0.000 0.432 447 G N 1.340 110.028 108.800 -0.187 0.000 2.583 447 G HA2 0.155 4.108 3.960 -0.013 0.000 0.275 447 G HA3 0.155 4.108 3.960 -0.013 0.000 0.275 447 G C -2.310 172.449 174.900 -0.235 0.000 1.342 447 G CA -0.891 44.087 45.100 -0.204 0.000 1.030 447 G HN 0.190 nan 8.290 nan 0.000 0.520 448 P HA 0.078 nan 4.420 nan 0.000 0.269 448 P C -0.056 177.047 177.300 -0.329 0.000 1.217 448 P CA -0.104 62.730 63.100 -0.443 0.000 0.783 448 P CB 0.757 32.153 31.700 -0.506 0.000 0.898 449 D N 0.062 120.365 120.400 -0.160 0.000 2.371 449 D HA -0.114 4.518 4.640 -0.013 0.000 0.221 449 D C 1.553 177.859 176.300 0.010 0.000 0.986 449 D CA 0.900 54.837 54.000 -0.105 0.000 0.899 449 D CB -0.131 40.586 40.800 -0.139 0.000 0.902 449 D HN 0.611 nan 8.370 nan 0.000 0.530 450 H N -0.439 118.553 119.070 -0.130 0.000 2.535 450 H HA -0.014 4.534 4.556 -0.013 0.000 0.273 450 H C 0.536 176.017 175.328 0.255 0.000 0.983 450 H CA -0.166 55.904 56.048 0.036 0.000 1.238 450 H CB -0.681 29.079 29.762 -0.003 0.000 1.412 450 H HN -0.100 nan 8.280 nan 0.000 0.562 451 F N 3.527 123.205 119.950 -0.452 0.000 2.572 451 F HA 0.230 4.749 4.527 -0.013 0.000 0.370 451 F C -1.773 173.983 175.800 -0.072 0.000 1.103 451 F CA -3.099 54.727 58.000 -0.290 0.000 1.286 451 F CB 0.058 38.906 39.000 -0.254 0.000 1.105 451 F HN 0.050 nan 8.300 nan 0.000 0.583 452 P HA 0.025 nan 4.420 nan 0.000 0.265 452 P C -0.891 176.528 177.300 0.198 0.000 1.193 452 P CA 0.188 63.353 63.100 0.109 0.000 0.765 452 P CB 0.243 31.956 31.700 0.021 0.000 0.823 453 F N 5.500 125.469 119.950 0.031 0.000 2.507 453 F HA 0.647 5.166 4.527 -0.013 0.000 0.328 453 F C -1.219 174.598 175.800 0.030 0.000 1.136 453 F CA -0.910 57.110 58.000 0.033 0.000 0.930 453 F CB 0.957 39.972 39.000 0.025 0.000 1.166 453 F HN 0.193 nan 8.300 nan 0.000 0.436 454 L N 3.735 124.604 121.223 -0.590 0.000 2.506 454 L HA 1.001 5.333 4.340 -0.013 0.000 0.257 454 L C -1.078 175.500 176.870 -0.487 0.000 0.964 454 L CA -0.992 53.552 54.840 -0.494 0.000 0.836 454 L CB 1.949 43.894 42.059 -0.189 0.000 1.384 454 L HN 0.765 nan 8.230 nan 0.000 0.410 455 G N 1.425 110.020 108.800 -0.342 0.000 2.415 455 G HA2 0.636 4.588 3.960 -0.013 0.000 0.327 455 G HA3 0.636 4.588 3.960 -0.013 0.000 0.327 455 G C -0.311 174.551 174.900 -0.063 0.000 1.182 455 G CA -0.388 44.617 45.100 -0.159 0.000 0.924 455 G HN 0.939 nan 8.290 nan 0.000 0.470 456 V N 0.106 120.010 119.914 -0.018 0.000 3.345 456 V HA 0.752 4.864 4.120 -0.013 0.000 0.308 456 V C 0.979 177.093 176.094 0.033 0.000 1.168 456 V CA -0.566 61.736 62.300 0.003 0.000 1.024 456 V CB 0.966 32.788 31.823 -0.001 0.000 1.211 456 V HN 1.034 nan 8.190 nan 0.000 0.461 457 K N -1.017 119.396 120.400 0.022 0.000 1.791 457 K HA -0.282 4.031 4.320 -0.013 0.000 0.140 457 K C 1.249 177.859 176.600 0.017 0.000 1.312 457 K CA 1.934 58.230 56.287 0.015 0.000 0.382 457 K CB -1.343 31.170 32.500 0.021 0.000 0.635 457 K HN 0.773 nan 8.250 nan 0.000 0.838 458 K N 1.113 121.516 120.400 0.005 0.000 2.459 458 K HA 0.098 4.411 4.320 -0.013 0.000 0.193 458 K C 1.710 178.392 176.600 0.137 0.000 1.030 458 K CA 0.536 56.834 56.287 0.017 0.000 1.026 458 K CB 0.137 32.573 32.500 -0.106 0.000 0.809 458 K HN 0.272 nan 8.250 nan 0.000 0.504 459 S N 0.334 116.145 115.700 0.185 0.000 2.515 459 S HA 0.029 4.491 4.470 -0.013 0.000 0.231 459 S C 0.731 175.396 174.600 0.109 0.000 0.987 459 S CA 0.653 58.977 58.200 0.207 0.000 0.936 459 S CB 0.336 63.646 63.200 0.184 0.000 0.766 459 S HN 0.582 nan 8.310 nan 0.000 0.528 460 G N -0.019 108.826 108.800 0.075 0.000 2.333 460 G HA2 0.419 4.371 3.960 -0.013 0.000 0.288 460 G HA3 0.419 4.371 3.960 -0.013 0.000 0.288 460 G C -2.556 172.365 174.900 0.036 0.000 1.286 460 G CA -0.780 44.355 45.100 0.058 0.000 0.865 460 G HN 0.201 nan 8.290 nan 0.000 0.506 461 L N 0.094 121.338 121.223 0.035 0.000 2.543 461 L HA 0.733 5.065 4.340 -0.013 0.000 0.265 461 L C 0.624 177.511 176.870 0.028 0.000 0.945 461 L CA 1.716 56.574 54.840 0.029 0.000 0.869 461 L CB 1.450 43.533 42.059 0.041 0.000 1.294 461 L HN 2.793 nan 8.230 nan 0.000 0.405 462 G N 2.816 111.625 108.800 0.015 0.000 2.645 462 G HA2 0.067 4.019 3.960 -0.013 0.000 0.239 462 G HA3 0.067 4.019 3.960 -0.013 0.000 0.239 462 G C -1.188 173.714 174.900 0.004 0.000 1.331 462 G CA -0.337 44.773 45.100 0.017 0.000 0.890 462 G HN 1.387 nan 8.290 nan 0.000 0.572 463 V N -0.481 119.447 119.914 0.022 0.000 2.971 463 V HA 0.778 4.890 4.120 -0.013 0.000 0.309 463 V C 0.067 176.206 176.094 0.074 0.000 1.130 463 V CA -0.500 61.814 62.300 0.024 0.000 0.964 463 V CB 1.613 33.450 31.823 0.023 0.000 1.029 463 V HN 1.120 nan 8.190 nan 0.000 0.427 464 Q N 1.165 121.039 119.800 0.123 0.000 3.353 464 Q HA 0.886 5.218 4.340 -0.013 0.000 0.302 464 Q C 0.221 176.333 176.000 0.186 0.000 0.991 464 Q CA -0.384 55.524 55.803 0.174 0.000 0.827 464 Q CB 1.754 30.643 28.738 0.251 0.000 1.694 464 Q HN 1.519 nan 8.270 nan 0.000 0.458 465 G N -0.181 108.720 108.800 0.169 0.000 2.707 465 G HA2 -0.158 3.794 3.960 -0.013 0.000 0.686 465 G HA3 -0.158 3.794 3.960 -0.013 0.000 0.686 465 G C 0.056 175.021 174.900 0.107 0.000 1.315 465 G CA -0.426 44.749 45.100 0.126 0.000 0.832 465 G HN 0.352 nan 8.290 nan 0.000 0.573 466 I N 0.596 121.235 120.570 0.114 0.000 2.090 466 I HA -0.096 4.066 4.170 -0.013 0.000 0.236 466 I C 2.786 178.980 176.117 0.128 0.000 1.064 466 I CA 2.396 63.775 61.300 0.130 0.000 1.324 466 I CB -1.104 37.016 38.000 0.201 0.000 1.044 466 I HN 0.792 nan 8.210 nan 0.000 0.399 467 K N 0.837 121.319 120.400 0.138 0.000 2.026 467 K HA -0.152 4.160 4.320 -0.013 0.000 0.208 467 K C -0.386 176.266 176.600 0.087 0.000 1.048 467 K CA 1.618 57.970 56.287 0.108 0.000 0.929 467 K CB -0.997 31.565 32.500 0.104 0.000 0.713 467 K HN 0.154 nan 8.250 nan 0.000 0.439 468 P HA -0.077 nan 4.420 nan 0.000 0.218 468 P C 1.042 178.386 177.300 0.074 0.000 1.148 468 P CA 1.267 64.409 63.100 0.071 0.000 0.822 468 P CB 0.068 31.812 31.700 0.073 0.000 0.784 469 S N -0.541 115.210 115.700 0.085 0.000 2.359 469 S HA -0.141 4.321 4.470 -0.013 0.000 0.224 469 S C 1.819 176.466 174.600 0.077 0.000 1.035 469 S CA 1.201 59.451 58.200 0.083 0.000 1.018 469 S CB -1.200 62.052 63.200 0.086 0.000 0.876 469 S HN 0.124 nan 8.310 nan 0.000 0.448 470 L N 0.633 121.902 121.223 0.077 0.000 2.079 470 L HA -0.141 4.192 4.340 -0.013 0.000 0.210 470 L C 2.100 179.006 176.870 0.061 0.000 1.081 470 L CA 0.733 55.616 54.840 0.072 0.000 0.752 470 L CB -0.527 41.574 42.059 0.071 0.000 0.896 470 L HN 0.257 nan 8.230 nan 0.000 0.433 471 L N -0.410 120.847 121.223 0.056 0.000 2.141 471 L HA -0.141 4.191 4.340 -0.013 0.000 0.209 471 L C 2.790 179.687 176.870 0.045 0.000 1.094 471 L CA 1.921 56.789 54.840 0.045 0.000 0.763 471 L CB -1.093 40.990 42.059 0.041 0.000 0.908 471 L HN 0.362 nan 8.230 nan 0.000 0.437 472 S N -1.932 113.799 115.700 0.052 0.000 2.515 472 S HA -0.070 4.392 4.470 -0.013 0.000 0.231 472 S C 1.628 176.261 174.600 0.055 0.000 0.987 472 S CA 0.524 58.755 58.200 0.052 0.000 0.936 472 S CB -0.235 63.001 63.200 0.059 0.000 0.766 472 S HN 0.294 nan 8.310 nan 0.000 0.528 473 M N 2.294 121.929 119.600 0.059 0.000 2.495 473 M HA 0.212 4.684 4.480 -0.013 0.000 0.237 473 M C 0.535 176.869 176.300 0.056 0.000 1.131 473 M CA 0.392 55.730 55.300 0.063 0.000 1.032 473 M CB -0.712 31.933 32.600 0.074 0.000 1.513 473 M HN 0.559 nan 8.290 nan 0.000 0.488 474 T N -0.095 114.486 114.554 0.046 0.000 2.716 474 T HA 0.849 5.191 4.350 -0.013 0.000 0.286 474 T C -0.513 174.205 174.700 0.030 0.000 1.052 474 T CA -0.979 61.143 62.100 0.038 0.000 1.024 474 T CB 2.281 71.169 68.868 0.034 0.000 1.349 474 T HN 0.332 nan 8.240 nan 0.000 0.525 475 R N -0.915 119.599 120.500 0.023 0.000 2.734 475 R HA 0.718 5.050 4.340 -0.013 0.000 0.271 475 R C -1.792 174.515 176.300 0.011 0.000 1.021 475 R CA -0.923 55.187 56.100 0.017 0.000 0.893 475 R CB -0.011 30.298 30.300 0.015 0.000 1.244 475 R HN 0.560 nan 8.270 nan 0.000 0.464 476 E N 0.609 120.813 120.200 0.007 0.000 2.373 476 E HA 0.286 4.628 4.350 -0.013 0.000 0.267 476 E C -0.664 175.936 176.600 0.001 0.000 1.032 476 E CA -0.233 56.169 56.400 0.003 0.000 0.889 476 E CB 0.840 30.540 29.700 -0.000 0.000 0.984 476 E HN 0.436 nan 8.360 nan 0.000 0.425 477 R N 2.424 122.924 120.500 -0.001 0.000 2.388 477 R HA 0.401 4.733 4.340 -0.013 0.000 0.314 477 R C -1.736 174.561 176.300 -0.005 0.000 0.959 477 R CA -0.500 55.599 56.100 -0.002 0.000 0.851 477 R CB 0.752 31.050 30.300 -0.002 0.000 1.168 477 R HN 0.330 nan 8.270 nan 0.000 0.472 478 V N 3.761 123.671 119.914 -0.006 0.000 2.459 478 V HA 0.472 4.585 4.120 -0.013 0.000 0.295 478 V C -0.311 175.779 176.094 -0.008 0.000 1.029 478 V CA -0.604 61.692 62.300 -0.008 0.000 0.874 478 V CB 1.965 33.781 31.823 -0.012 0.000 0.985 478 V HN 0.802 nan 8.190 nan 0.000 0.438 479 T N 4.108 118.658 114.554 -0.007 0.000 2.809 479 T HA 0.532 4.875 4.350 -0.013 0.000 0.284 479 T C -0.409 174.288 174.700 -0.005 0.000 0.992 479 T CA -0.413 61.683 62.100 -0.006 0.000 0.957 479 T CB 1.568 70.433 68.868 -0.005 0.000 0.942 479 T HN 0.337 nan 8.240 nan 0.000 0.439 480 V N 5.321 125.232 119.914 -0.005 0.000 2.370 480 V HA 0.458 4.570 4.120 -0.013 0.000 0.279 480 V C -0.037 176.056 176.094 -0.002 0.000 1.029 480 V CA -0.766 61.532 62.300 -0.004 0.000 0.870 480 V CB 0.920 32.740 31.823 -0.006 0.000 0.984 480 V HN 0.728 nan 8.190 nan 0.000 0.451 481 L N 4.022 125.245 121.223 -0.000 0.000 2.352 481 L HA 0.593 4.925 4.340 -0.013 0.000 0.269 481 L C 0.042 176.913 176.870 0.003 0.000 1.034 481 L CA -0.805 54.035 54.840 0.001 0.000 0.806 481 L CB 1.328 43.387 42.059 0.001 0.000 1.244 481 L HN 0.510 nan 8.230 nan 0.000 0.447 482 N N 2.582 121.284 118.700 0.004 0.000 2.414 482 N HA 0.343 5.075 4.740 -0.013 0.000 0.256 482 N C -0.689 174.825 175.510 0.006 0.000 1.029 482 N CA -0.214 52.840 53.050 0.006 0.000 0.948 482 N CB 1.294 39.785 38.487 0.006 0.000 1.102 482 N HN 0.399 nan 8.380 nan 0.000 0.496 483 L N 1.842 123.070 121.223 0.008 0.000 2.361 483 L HA 0.265 4.598 4.340 -0.013 0.000 0.278 483 L C 1.024 177.900 176.870 0.010 0.000 1.113 483 L CA -0.626 54.219 54.840 0.008 0.000 0.849 483 L CB 0.475 42.539 42.059 0.008 0.000 1.155 483 L HN 0.437 nan 8.230 nan 0.000 0.452 484 A N 3.463 126.289 122.820 0.010 0.000 2.531 484 A HA 0.019 4.331 4.320 -0.013 0.000 0.236 484 A C 1.037 178.630 177.584 0.015 0.000 1.062 484 A CA 0.053 52.097 52.037 0.012 0.000 0.760 484 A CB 0.282 19.290 19.000 0.013 0.000 0.995 484 A HN 0.892 nan 8.150 nan 0.000 0.501 485 E N 0.645 120.856 120.200 0.019 0.000 2.276 485 E HA -0.039 4.304 4.350 -0.013 0.000 0.193 485 E C 0.416 177.035 176.600 0.032 0.000 0.983 485 E CA 0.485 56.899 56.400 0.022 0.000 0.861 485 E CB 0.254 29.967 29.700 0.022 0.000 0.817 485 E HN 0.784 nan 8.360 nan 0.000 0.485 486 N N -1.002 117.721 118.700 0.040 0.000 2.591 486 N HA 0.145 4.877 4.740 -0.013 0.000 0.275 486 N C 0.631 176.192 175.510 0.084 0.000 0.863 486 N CA 0.201 53.289 53.050 0.063 0.000 1.019 486 N CB 1.391 39.927 38.487 0.082 0.000 1.674 486 N HN -0.029 nan 8.380 nan 0.000 1.001 487 L N -0.183 121.085 121.223 0.075 0.000 7.971 487 L HA -0.347 3.986 4.340 -0.013 0.000 0.065 487 L C -0.160 176.802 176.870 0.153 0.000 1.248 487 L CA 0.976 55.870 54.840 0.090 0.000 1.372 487 L CB -0.857 41.255 42.059 0.090 0.000 2.954 487 L HN 0.497 nan 8.230 nan 0.000 1.217 488 Y N 0.000 120.300 120.300 0.000 0.000 2.660 488 Y HA 0.000 4.550 4.550 0.001 0.000 0.201 488 Y CA 0.000 58.100 58.100 0.000 0.000 1.940 488 Y CB 0.000 38.460 38.460 0.000 0.000 1.050 488 Y HN 0.000 nan 8.280 nan 0.000 0.758