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 3kdn_1_F DATA FIRST_RESID 8 DATA SEQUENCE IYDYYVDKGY EPSKKRDIIA VFRVTPAEGY TIEQAAGAVA AESSTGTWTT DATA SEQUENCE LYPWYEQERW ADLSAKAYDF HDMGDGSWIV RIAYPFHAFE EANLPGLLAS DATA SEQUENCE IAGNIFGMKR VKGLRLEDLY FPEKLIREFD GPAFGIEGVR KMLEIKDRPI DATA SEQUENCE YGVVPKPKVG YSPEEFEKLA YDLLSNGADY MXDDENLTSP WYNRFEERAE DATA SEQUENCE IMAKIIDKVE NETGEKKTWF ANITADLLEM EQRLEVLADL GLKHAMVDVV DATA SEQUENCE ITGWGALRYI RDLAADYGLA IHGHRAMHAA FTRNPYHGIS MFVLAKLYRL DATA SEQUENCE IGIDQLHVGT AGAGKLEGER DITIQNARIL RESHYKPDEN DVFHLEQKFY DATA SEQUENCE SIKAAFPTSS GGLHPGNIQP VIEALGTDIV LQLGGGTLGH PDGPAAGARA DATA SEQUENCE VRQAIDAIMQ GIPLDEYAKT HKELARALEK WGHVTPV 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 8 I HA 0.000 nan 4.170 nan 0.000 0.288 8 I C 0.000 176.121 176.117 0.006 0.000 1.063 8 I CA 0.000 61.264 61.300 -0.061 0.000 1.566 8 I CB 0.000 37.895 38.000 -0.176 0.000 1.214 9 Y N 2.432 122.861 120.300 0.214 0.000 2.462 9 Y HA 0.376 4.925 4.550 -0.001 0.000 0.261 9 Y C 2.528 178.623 175.900 0.326 0.000 1.146 9 Y CA 0.834 59.104 58.100 0.284 0.000 1.283 9 Y CB -0.724 37.832 38.460 0.159 0.000 1.090 9 Y HN 0.652 nan 8.280 nan 0.000 0.526 10 D N -0.632 119.980 120.400 0.352 0.000 2.218 10 D HA -0.288 4.351 4.640 -0.001 0.000 0.204 10 D C 1.788 178.224 176.300 0.226 0.000 0.976 10 D CA 1.269 55.416 54.000 0.245 0.000 0.853 10 D CB -0.979 39.916 40.800 0.159 0.000 0.939 10 D HN 0.506 nan 8.370 nan 0.000 0.481 11 Y N -0.246 120.131 120.300 0.128 0.000 2.241 11 Y HA -0.196 4.353 4.550 -0.001 0.000 0.286 11 Y C 1.498 177.307 175.900 -0.151 0.000 1.166 11 Y CA 1.656 59.728 58.100 -0.048 0.000 1.203 11 Y CB -0.279 38.100 38.460 -0.135 0.000 0.977 11 Y HN 0.386 nan 8.280 nan 0.000 0.529 12 Y N -0.931 119.428 120.300 0.099 0.000 2.490 12 Y HA 0.212 4.761 4.550 -0.001 0.000 0.281 12 Y C 0.183 176.055 175.900 -0.046 0.000 1.174 12 Y CA -0.272 57.812 58.100 -0.027 0.000 1.295 12 Y CB 0.048 38.548 38.460 0.068 0.000 1.062 12 Y HN -0.234 nan 8.280 nan 0.000 0.522 13 V N 1.067 121.040 119.914 0.097 0.000 2.394 13 V HA 0.255 4.374 4.120 -0.001 0.000 0.282 13 V C -0.658 175.462 176.094 0.043 0.000 1.031 13 V CA -0.575 61.801 62.300 0.126 0.000 0.881 13 V CB 1.615 33.531 31.823 0.154 0.000 0.982 13 V HN 0.049 nan 8.190 nan 0.000 0.451 14 D N 3.427 123.891 120.400 0.107 0.000 2.411 14 D HA 0.248 4.887 4.640 -0.001 0.000 0.239 14 D C 0.678 177.103 176.300 0.208 0.000 1.307 14 D CA -0.447 53.603 54.000 0.084 0.000 0.930 14 D CB 1.136 41.932 40.800 -0.006 0.000 1.395 14 D HN 0.438 nan 8.370 nan 0.000 0.536 15 K N 0.510 121.013 120.400 0.170 0.000 2.439 15 K HA 0.057 4.377 4.320 -0.001 0.000 0.197 15 K C 1.681 178.390 176.600 0.182 0.000 1.041 15 K CA 0.716 57.127 56.287 0.206 0.000 0.970 15 K CB 0.457 33.010 32.500 0.088 0.000 0.773 15 K HN 0.329 nan 8.250 nan 0.000 0.479 16 G N 0.257 109.142 108.800 0.141 0.000 2.683 16 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.213 16 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.213 16 G C 0.113 175.083 174.900 0.116 0.000 1.142 16 G CA -0.209 44.954 45.100 0.104 0.000 0.793 16 G HN 0.205 nan 8.290 nan 0.000 0.534 17 Y N 2.126 122.448 120.300 0.036 0.000 2.526 17 Y HA 0.380 4.930 4.550 -0.001 0.000 0.330 17 Y C 0.270 176.113 175.900 -0.095 0.000 1.156 17 Y CA -0.183 57.896 58.100 -0.035 0.000 1.419 17 Y CB 0.282 38.708 38.460 -0.057 0.000 1.250 17 Y HN 0.138 nan 8.280 nan 0.000 0.540 18 E N 8.065 127.765 120.200 -0.835 0.000 2.113 18 E HA 0.408 4.757 4.350 -0.001 0.000 0.273 18 E C -2.915 173.012 176.600 -1.121 0.000 0.924 18 E CA -2.431 53.533 56.400 -0.727 0.000 0.764 18 E CB 0.250 29.724 29.700 -0.376 0.000 1.104 18 E HN 0.546 nan 8.360 nan 0.000 0.406 19 P HA 0.134 nan 4.420 nan 0.000 0.269 19 P C -0.058 177.070 177.300 -0.287 0.000 1.209 19 P CA -0.075 62.686 63.100 -0.566 0.000 0.776 19 P CB 1.362 32.796 31.700 -0.444 0.000 0.876 20 S N 1.786 117.436 115.700 -0.083 0.000 2.452 20 S HA 0.142 4.612 4.470 -0.001 0.000 0.284 20 S C 1.124 175.774 174.600 0.084 0.000 1.171 20 S CA -0.619 57.583 58.200 0.004 0.000 1.064 20 S CB 0.116 63.362 63.200 0.077 0.000 0.967 20 S HN 0.261 nan 8.310 nan 0.000 0.484 21 K N 3.009 123.444 120.400 0.057 0.000 2.283 21 K HA 0.002 4.322 4.320 -0.001 0.000 0.202 21 K C 1.273 178.015 176.600 0.237 0.000 1.048 21 K CA 0.823 57.189 56.287 0.131 0.000 0.948 21 K CB 0.050 32.589 32.500 0.065 0.000 0.742 21 K HN 0.448 nan 8.250 nan 0.000 0.458 22 K N 0.243 120.729 120.400 0.143 0.000 2.356 22 K HA 0.073 4.393 4.320 -0.001 0.000 0.195 22 K C 1.565 178.209 176.600 0.073 0.000 1.037 22 K CA 0.671 57.009 56.287 0.085 0.000 1.014 22 K CB 0.435 32.955 32.500 0.033 0.000 0.815 22 K HN 0.141 nan 8.250 nan 0.000 0.507 23 R N 0.018 120.633 120.500 0.191 0.000 2.369 23 R HA 0.151 4.490 4.340 -0.001 0.000 0.210 23 R C -0.340 176.244 176.300 0.474 0.000 0.881 23 R CA -0.070 56.245 56.100 0.359 0.000 1.031 23 R CB 0.749 31.256 30.300 0.344 0.000 1.184 23 R HN -0.022 nan 8.270 nan 0.000 0.581 24 D N 0.878 121.504 120.400 0.376 0.000 2.192 24 D HA 0.277 4.917 4.640 -0.001 0.000 0.246 24 D C -0.443 176.135 176.300 0.463 0.000 1.042 24 D CA -0.481 53.762 54.000 0.405 0.000 0.847 24 D CB 1.834 42.837 40.800 0.338 0.000 1.186 24 D HN -0.162 nan 8.370 nan 0.000 0.461 25 I N 1.975 122.830 120.570 0.475 0.000 2.519 25 I HA 0.239 4.408 4.170 -0.001 0.000 0.287 25 I C 0.289 176.743 176.117 0.561 0.000 1.047 25 I CA -0.117 61.472 61.300 0.482 0.000 1.381 25 I CB 0.690 38.913 38.000 0.371 0.000 1.417 25 I HN 0.156 nan 8.210 nan 0.000 0.540 26 I N 5.074 125.971 120.570 0.545 0.000 2.466 26 I HA 0.599 4.769 4.170 -0.001 0.000 0.289 26 I C -0.334 175.974 176.117 0.318 0.000 1.026 26 I CA -0.689 60.893 61.300 0.469 0.000 1.078 26 I CB 1.785 40.029 38.000 0.407 0.000 1.249 26 I HN 0.603 nan 8.210 nan 0.000 0.429 27 A N 6.424 129.428 122.820 0.307 0.000 2.288 27 A HA 0.735 5.055 4.320 -0.001 0.000 0.320 27 A C -0.558 176.955 177.584 -0.118 0.000 1.217 27 A CA -0.506 51.535 52.037 0.007 0.000 0.840 27 A CB 0.933 19.945 19.000 0.021 0.000 1.179 27 A HN 0.458 nan 8.150 nan 0.000 0.504 28 V N 3.268 123.040 119.914 -0.235 0.000 2.350 28 V HA 0.414 4.533 4.120 -0.001 0.000 0.276 28 V C -0.856 175.075 176.094 -0.271 0.000 1.028 28 V CA -0.057 62.147 62.300 -0.161 0.000 0.860 28 V CB -0.013 31.772 31.823 -0.063 0.000 0.990 28 V HN 0.676 nan 8.190 nan 0.000 0.453 29 F N 3.301 123.272 119.950 0.035 0.000 2.469 29 F HA 0.584 5.110 4.527 -0.001 0.000 0.332 29 F C 0.511 176.364 175.800 0.089 0.000 1.103 29 F CA -0.805 57.231 58.000 0.060 0.000 0.979 29 F CB 1.765 40.777 39.000 0.020 0.000 1.137 29 F HN 0.313 nan 8.300 nan 0.000 0.463 30 R N 2.876 123.580 120.500 0.341 0.000 2.205 30 R HA 0.581 4.921 4.340 -0.001 0.000 0.342 30 R C -1.610 174.890 176.300 0.334 0.000 1.058 30 R CA -0.259 56.028 56.100 0.312 0.000 0.904 30 R CB 0.405 30.878 30.300 0.287 0.000 1.089 30 R HN 0.535 nan 8.270 nan 0.000 0.471 31 V N 3.871 123.976 119.914 0.319 0.000 2.427 31 V HA 0.325 4.445 4.120 -0.001 0.000 0.286 31 V C -0.047 176.253 176.094 0.344 0.000 1.034 31 V CA -0.550 61.913 62.300 0.272 0.000 0.893 31 V CB 1.909 33.839 31.823 0.178 0.000 0.982 31 V HN 0.738 nan 8.190 nan 0.000 0.452 32 T N 6.914 121.641 114.554 0.287 0.000 2.912 32 T HA 0.374 4.724 4.350 -0.001 0.000 0.326 32 T C -2.651 172.172 174.700 0.205 0.000 1.080 32 T CA -1.192 61.074 62.100 0.276 0.000 1.000 32 T CB 1.422 70.419 68.868 0.215 0.000 1.008 32 T HN 0.409 nan 8.240 nan 0.000 0.473 33 P HA 0.268 nan 4.420 nan 0.000 0.268 33 P C -0.298 177.098 177.300 0.160 0.000 1.208 33 P CA -0.327 62.865 63.100 0.153 0.000 0.777 33 P CB 0.443 32.237 31.700 0.157 0.000 0.875 34 A N 1.767 124.677 122.820 0.149 0.000 2.406 34 A HA 0.170 4.490 4.320 -0.001 0.000 0.243 34 A C 0.420 178.163 177.584 0.265 0.000 1.082 34 A CA -0.126 52.022 52.037 0.185 0.000 0.786 34 A CB -0.353 18.742 19.000 0.158 0.000 1.029 34 A HN 0.507 nan 8.150 nan 0.000 0.495 35 E N 0.193 120.503 120.200 0.182 0.000 2.606 35 E HA 0.323 4.673 4.350 -0.001 0.000 0.248 35 E C 1.100 177.751 176.600 0.084 0.000 1.005 35 E CA 1.660 58.133 56.400 0.121 0.000 0.946 35 E CB -0.518 29.228 29.700 0.075 0.000 0.928 35 E HN 1.645 nan 8.360 nan 0.000 0.494 36 G N 3.296 112.103 108.800 0.012 0.000 2.179 36 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.220 36 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.220 36 G C -0.439 174.272 174.900 -0.315 0.000 0.990 36 G CA 0.075 45.075 45.100 -0.167 0.000 0.646 36 G HN 0.446 nan 8.290 nan 0.000 0.517 37 Y N 1.765 122.084 120.300 0.030 0.000 2.409 37 Y HA 0.591 5.141 4.550 -0.001 0.000 0.339 37 Y C 1.207 177.103 175.900 -0.008 0.000 1.033 37 Y CA -0.063 58.048 58.100 0.020 0.000 1.094 37 Y CB 1.595 40.072 38.460 0.028 0.000 1.210 37 Y HN 0.250 nan 8.280 nan 0.000 0.456 38 T N -0.658 113.963 114.554 0.111 0.000 2.868 38 T HA 0.110 4.459 4.350 -0.001 0.000 0.292 38 T C 1.048 175.693 174.700 -0.091 0.000 1.028 38 T CA -0.554 61.529 62.100 -0.028 0.000 1.059 38 T CB 0.895 69.730 68.868 -0.056 0.000 0.991 38 T HN 0.632 nan 8.240 nan 0.000 0.531 39 I N 0.851 121.214 120.570 -0.344 0.000 2.286 39 I HA -0.054 4.116 4.170 -0.001 0.000 0.248 39 I C 2.141 178.190 176.117 -0.112 0.000 1.115 39 I CA 1.490 62.548 61.300 -0.403 0.000 1.392 39 I CB -0.823 36.493 38.000 -1.140 0.000 1.065 39 I HN 0.791 nan 8.210 nan 0.000 0.418 40 E N 0.180 120.301 120.200 -0.133 0.000 2.077 40 E HA -0.247 4.103 4.350 -0.001 0.000 0.193 40 E C 2.233 178.871 176.600 0.063 0.000 0.989 40 E CA 1.471 57.865 56.400 -0.010 0.000 0.800 40 E CB -0.288 29.326 29.700 -0.143 0.000 0.746 40 E HN 0.606 nan 8.360 nan 0.000 0.452 41 Q N -0.354 119.478 119.800 0.053 0.000 2.084 41 Q HA -0.106 4.233 4.340 -0.001 0.000 0.202 41 Q C 2.196 178.225 176.000 0.049 0.000 0.978 41 Q CA 1.355 57.230 55.803 0.120 0.000 0.844 41 Q CB -0.154 28.713 28.738 0.215 0.000 0.898 41 Q HN 0.314 nan 8.270 nan 0.000 0.426 42 A N 0.912 123.731 122.820 -0.001 0.000 1.897 42 A HA -0.033 4.287 4.320 -0.001 0.000 0.215 42 A C 2.282 179.795 177.584 -0.118 0.000 1.181 42 A CA 1.366 53.351 52.037 -0.086 0.000 0.620 42 A CB -0.695 18.276 19.000 -0.048 0.000 0.821 42 A HN 0.381 nan 8.150 nan 0.000 0.443 43 A N -0.340 122.457 122.820 -0.039 0.000 1.933 43 A HA 0.104 4.424 4.320 -0.001 0.000 0.218 43 A C 2.366 179.913 177.584 -0.062 0.000 1.175 43 A CA 1.928 53.932 52.037 -0.055 0.000 0.628 43 A CB -1.330 17.706 19.000 0.061 0.000 0.814 43 A HN 0.705 nan 8.150 nan 0.000 0.444 44 G N -0.556 108.251 108.800 0.012 0.000 2.418 44 G HA2 0.008 3.968 3.960 -0.001 0.000 0.217 44 G HA3 0.008 3.968 3.960 -0.001 0.000 0.217 44 G C 1.715 176.502 174.900 -0.188 0.000 1.158 44 G CA 1.375 46.513 45.100 0.063 0.000 0.771 44 G HN 0.794 nan 8.290 nan 0.000 0.545 45 A N -0.029 122.510 122.820 -0.469 0.000 1.929 45 A HA 0.188 4.507 4.320 -0.001 0.000 0.216 45 A C 2.583 179.778 177.584 -0.649 0.000 1.176 45 A CA 1.564 52.956 52.037 -1.076 0.000 0.628 45 A CB -0.444 17.934 19.000 -1.037 0.000 0.816 45 A HN 0.231 nan 8.150 nan 0.000 0.444 46 V N 0.013 119.657 119.914 -0.449 0.000 2.261 46 V HA -0.265 3.855 4.120 -0.001 0.000 0.246 46 V C 3.083 178.973 176.094 -0.339 0.000 1.047 46 V CA 2.019 64.058 62.300 -0.434 0.000 1.015 46 V CB -1.309 30.201 31.823 -0.522 0.000 0.642 46 V HN 0.599 nan 8.190 nan 0.000 0.446 47 A N -0.040 122.620 122.820 -0.267 0.000 1.883 47 A HA -0.163 4.157 4.320 -0.001 0.000 0.217 47 A C 2.421 179.789 177.584 -0.361 0.000 1.186 47 A CA 2.406 54.327 52.037 -0.193 0.000 0.624 47 A CB -0.897 18.055 19.000 -0.081 0.000 0.822 47 A HN 0.587 nan 8.150 nan 0.000 0.444 48 A N -0.526 121.890 122.820 -0.674 0.000 1.858 48 A HA -0.137 4.183 4.320 -0.001 0.000 0.216 48 A C 1.876 179.206 177.584 -0.424 0.000 1.190 48 A CA 1.618 53.020 52.037 -1.059 0.000 0.617 48 A CB -0.468 18.070 19.000 -0.771 0.000 0.827 48 A HN 0.448 nan 8.150 nan 0.000 0.443 49 E N 0.522 120.536 120.200 -0.309 0.000 2.418 49 E HA -0.077 4.272 4.350 -0.001 0.000 0.197 49 E C 1.790 178.333 176.600 -0.094 0.000 1.026 49 E CA 1.119 57.428 56.400 -0.152 0.000 0.862 49 E CB -0.241 29.358 29.700 -0.170 0.000 0.799 49 E HN 0.734 nan 8.360 nan 0.000 0.518 50 S N -0.918 114.735 115.700 -0.078 0.000 2.557 50 S HA 0.128 4.598 4.470 -0.001 0.000 0.223 50 S C 1.374 176.077 174.600 0.172 0.000 0.969 50 S CA 0.331 58.565 58.200 0.058 0.000 0.927 50 S CB 0.276 63.560 63.200 0.140 0.000 0.806 50 S HN 0.167 nan 8.310 nan 0.000 0.489 51 S N 1.598 117.343 115.700 0.075 0.000 4.002 51 S HA 0.195 4.664 4.470 -0.001 0.000 0.167 51 S C 1.218 175.833 174.600 0.025 0.000 0.914 51 S CA 0.553 58.801 58.200 0.080 0.000 1.110 51 S CB -0.194 63.082 63.200 0.127 0.000 1.714 51 S HN 0.505 nan 8.310 nan 0.000 0.858 52 T N -0.397 114.198 114.554 0.067 0.000 3.040 52 T HA 0.516 4.865 4.350 -0.001 0.000 0.266 52 T C 0.874 175.762 174.700 0.314 0.000 1.005 52 T CA 0.311 62.512 62.100 0.168 0.000 0.906 52 T CB 0.012 68.952 68.868 0.120 0.000 1.082 52 T HN 0.744 nan 8.240 nan 0.000 0.531 53 G N 0.387 109.272 108.800 0.142 0.000 2.588 53 G HA2 0.532 4.491 3.960 -0.001 0.000 0.281 53 G HA3 0.532 4.491 3.960 -0.001 0.000 0.281 53 G C -0.834 174.182 174.900 0.193 0.000 1.236 53 G CA -0.241 44.978 45.100 0.198 0.000 0.969 53 G HN 0.430 nan 8.290 nan 0.000 0.504 54 T N -1.484 113.204 114.554 0.225 0.000 2.840 54 T HA 0.333 4.682 4.350 -0.001 0.000 0.317 54 T C 0.350 175.106 174.700 0.095 0.000 1.401 54 T CA -0.376 61.812 62.100 0.147 0.000 1.028 54 T CB 0.855 69.715 68.868 -0.013 0.000 1.317 54 T HN 0.739 nan 8.240 nan 0.000 0.495 55 W N 2.255 123.590 121.300 0.058 0.000 2.595 55 W HA 0.261 4.921 4.660 -0.001 0.000 0.257 55 W C 0.301 176.731 176.519 -0.148 0.000 1.267 55 W CA 0.659 57.972 57.345 -0.054 0.000 1.300 55 W CB -0.870 28.628 29.460 0.063 0.000 1.120 55 W HN 0.643 nan 8.180 nan 0.000 0.618 56 T N 1.513 115.613 114.554 -0.757 0.000 2.901 56 T HA 0.344 4.694 4.350 -0.001 0.000 0.293 56 T C -0.033 174.408 174.700 -0.433 0.000 1.084 56 T CA -0.142 61.527 62.100 -0.718 0.000 1.008 56 T CB 1.620 69.724 68.868 -1.273 0.000 1.170 56 T HN 0.024 nan 8.240 nan 0.000 0.509 57 T N 0.685 115.057 114.554 -0.302 0.000 2.916 57 T HA 0.555 4.905 4.350 -0.001 0.000 0.303 57 T C 0.393 174.972 174.700 -0.201 0.000 1.025 57 T CA -0.340 61.633 62.100 -0.211 0.000 1.142 57 T CB -0.214 68.560 68.868 -0.158 0.000 0.947 57 T HN 0.886 nan 8.240 nan 0.000 0.544 58 L N 1.139 122.271 121.223 -0.152 0.000 2.334 58 L HA 0.895 5.235 4.340 -0.001 0.000 0.270 58 L C 0.583 177.449 176.870 -0.008 0.000 1.018 58 L CA -1.565 53.236 54.840 -0.065 0.000 0.811 58 L CB -0.312 41.748 42.059 0.003 0.000 1.271 58 L HN 1.262 nan 8.230 nan 0.000 0.443 59 Y N 0.000 120.352 120.300 0.087 0.000 2.425 59 Y HA 0.545 5.095 4.550 -0.001 0.000 0.331 59 Y C -1.976 174.037 175.900 0.188 0.000 1.157 59 Y CA -2.543 55.618 58.100 0.102 0.000 1.372 59 Y CB -0.404 38.115 38.460 0.097 0.000 1.253 59 Y HN 0.757 nan 8.280 nan 0.000 0.536 60 P HA 0.079 nan 4.420 nan 0.000 0.268 60 P C 0.307 177.476 177.300 -0.219 0.000 1.541 60 P CA 0.305 63.173 63.100 -0.387 0.000 1.093 60 P CB -0.447 31.033 31.700 -0.368 0.000 1.551 61 W N 3.433 124.566 121.300 -0.278 0.000 2.702 61 W HA 0.268 4.927 4.660 -0.001 0.000 0.369 61 W C -1.095 175.414 176.519 -0.016 0.000 0.987 61 W CA -0.612 56.679 57.345 -0.090 0.000 1.702 61 W CB -0.861 28.611 29.460 0.021 0.000 1.138 61 W HN 0.181 nan 8.180 nan 0.000 0.552 62 Y N -0.696 119.280 120.300 -0.541 0.000 2.609 62 Y HA 0.608 5.158 4.550 -0.001 0.000 0.342 62 Y C -0.105 175.609 175.900 -0.309 0.000 1.058 62 Y CA -2.210 55.562 58.100 -0.548 0.000 1.055 62 Y CB 0.444 38.332 38.460 -0.952 0.000 1.292 62 Y HN -0.053 nan 8.280 nan 0.000 0.476 63 E N 1.609 121.766 120.200 -0.072 0.000 2.351 63 E HA -0.021 4.328 4.350 -0.001 0.000 0.266 63 E C 0.156 176.782 176.600 0.044 0.000 1.031 63 E CA 0.068 56.434 56.400 -0.057 0.000 0.911 63 E CB 1.158 30.855 29.700 -0.005 0.000 0.986 63 E HN 0.886 nan 8.360 nan 0.000 0.446 64 Q N 3.184 122.952 119.800 -0.054 0.000 2.167 64 Q HA -0.180 4.160 4.340 -0.001 0.000 0.202 64 Q C 2.198 178.331 176.000 0.221 0.000 0.970 64 Q CA 2.227 58.076 55.803 0.077 0.000 0.855 64 Q CB 0.067 28.768 28.738 -0.061 0.000 0.911 64 Q HN 0.788 nan 8.270 nan 0.000 0.438 65 E N 0.831 121.095 120.200 0.107 0.000 2.051 65 E HA -0.245 4.104 4.350 -0.001 0.000 0.192 65 E C 1.781 178.433 176.600 0.087 0.000 0.991 65 E CA 1.503 57.956 56.400 0.088 0.000 0.799 65 E CB -0.620 29.105 29.700 0.042 0.000 0.748 65 E HN 0.395 nan 8.360 nan 0.000 0.449 66 R N -1.474 119.080 120.500 0.089 0.000 2.073 66 R HA -0.132 4.208 4.340 -0.001 0.000 0.234 66 R C 2.339 178.671 176.300 0.054 0.000 1.134 66 R CA 1.882 58.013 56.100 0.051 0.000 0.952 66 R CB -0.568 29.755 30.300 0.038 0.000 0.850 66 R HN 0.659 nan 8.270 nan 0.000 0.433 67 W N 1.120 122.395 121.300 -0.041 0.000 2.315 67 W HA -0.269 4.390 4.660 -0.001 0.000 0.323 67 W C 2.073 178.564 176.519 -0.047 0.000 1.233 67 W CA 2.582 59.882 57.345 -0.076 0.000 1.267 67 W CB -0.667 28.783 29.460 -0.017 0.000 1.160 67 W HN 0.226 nan 8.180 nan 0.000 0.474 68 A N -0.137 122.649 122.820 -0.057 0.000 1.908 68 A HA -0.287 4.033 4.320 -0.001 0.000 0.218 68 A C 1.702 179.120 177.584 -0.276 0.000 1.181 68 A CA 2.359 54.211 52.037 -0.308 0.000 0.627 68 A CB -1.363 17.675 19.000 0.065 0.000 0.818 68 A HN 0.475 nan 8.150 nan 0.000 0.445 69 D N -0.726 119.584 120.400 -0.150 0.000 2.264 69 D HA -0.042 4.598 4.640 -0.001 0.000 0.208 69 D C 1.398 177.564 176.300 -0.223 0.000 0.966 69 D CA 0.782 54.708 54.000 -0.124 0.000 0.864 69 D CB -0.116 40.668 40.800 -0.028 0.000 0.933 69 D HN 0.438 nan 8.370 nan 0.000 0.499 70 L N -0.281 120.753 121.223 -0.315 0.000 2.640 70 L HA 0.253 4.592 4.340 -0.001 0.000 0.230 70 L C 0.315 176.977 176.870 -0.347 0.000 1.123 70 L CA -0.202 54.407 54.840 -0.385 0.000 0.900 70 L CB 0.398 42.235 42.059 -0.370 0.000 1.146 70 L HN -0.143 nan 8.230 nan 0.000 0.484 71 S N 0.889 116.360 115.700 -0.381 0.000 2.537 71 S HA 0.569 5.039 4.470 -0.001 0.000 0.275 71 S C 0.474 174.947 174.600 -0.212 0.000 1.272 71 S CA -0.652 57.378 58.200 -0.283 0.000 1.050 71 S CB 1.644 64.569 63.200 -0.458 0.000 0.961 71 S HN 0.261 nan 8.310 nan 0.000 0.496 72 A N 3.467 126.225 122.820 -0.105 0.000 2.346 72 A HA 0.562 4.882 4.320 -0.001 0.000 0.252 72 A C -0.038 177.409 177.584 -0.229 0.000 1.089 72 A CA -0.208 51.639 52.037 -0.315 0.000 0.797 72 A CB 0.284 18.869 19.000 -0.692 0.000 1.047 72 A HN 0.572 nan 8.150 nan 0.000 0.494 73 K N 0.466 120.687 120.400 -0.298 0.000 2.541 73 K HA 0.522 4.841 4.320 -0.001 0.000 0.250 73 K C -0.840 175.772 176.600 0.020 0.000 0.950 73 K CA -0.262 55.925 56.287 -0.167 0.000 0.805 73 K CB 1.767 34.064 32.500 -0.338 0.000 1.166 73 K HN 0.794 nan 8.250 nan 0.000 0.430 74 A N 3.611 126.461 122.820 0.050 0.000 2.350 74 A HA 0.304 4.624 4.320 -0.001 0.000 0.293 74 A C 0.264 177.965 177.584 0.194 0.000 1.231 74 A CA -0.063 51.994 52.037 0.032 0.000 0.883 74 A CB -0.458 18.526 19.000 -0.026 0.000 1.133 74 A HN 0.796 nan 8.150 nan 0.000 0.533 75 Y N 0.215 120.567 120.300 0.087 0.000 2.430 75 Y HA 0.502 5.052 4.550 -0.000 0.000 0.254 75 Y C 0.023 176.071 175.900 0.245 0.000 1.088 75 Y CA -0.313 57.914 58.100 0.211 0.000 1.267 75 Y CB 0.336 38.937 38.460 0.235 0.000 1.204 75 Y HN 0.466 nan 8.280 nan 0.000 0.515 76 D N 0.513 120.636 120.400 -0.461 0.000 2.787 76 D HA 0.458 5.098 4.640 -0.001 0.000 0.246 76 D C -1.759 174.398 176.300 -0.238 0.000 1.150 76 D CA -0.366 53.504 54.000 -0.217 0.000 0.864 76 D CB 1.341 41.875 40.800 -0.444 0.000 1.481 76 D HN 0.070 nan 8.370 nan 0.000 0.509 77 F N 1.863 121.818 119.950 0.008 0.000 2.529 77 F HA 0.397 4.924 4.527 -0.001 0.000 0.320 77 F C -0.485 175.459 175.800 0.240 0.000 1.118 77 F CA -1.069 57.006 58.000 0.124 0.000 0.915 77 F CB 2.064 41.107 39.000 0.073 0.000 1.161 77 F HN 0.362 nan 8.300 nan 0.000 0.445 78 H N 1.498 120.776 119.070 0.347 0.000 3.078 78 H HA 0.223 4.779 4.556 -0.001 0.000 0.319 78 H C -1.143 174.235 175.328 0.084 0.000 0.995 78 H CA -0.836 55.320 56.048 0.179 0.000 1.417 78 H CB 0.894 30.662 29.762 0.010 0.000 1.598 78 H HN 0.550 nan 8.280 nan 0.000 0.515 79 D N 4.567 124.770 120.400 -0.329 0.000 2.531 79 D HA -0.074 4.566 4.640 -0.001 0.000 0.239 79 D C 0.838 176.807 176.300 -0.551 0.000 1.144 79 D CA 0.240 53.845 54.000 -0.657 0.000 0.869 79 D CB 0.833 41.368 40.800 -0.441 0.000 1.160 79 D HN 0.576 nan 8.370 nan 0.000 0.484 80 M N 2.304 121.623 119.600 -0.468 0.000 2.510 80 M HA 0.156 4.636 4.480 -0.001 0.000 0.256 80 M C 1.364 177.550 176.300 -0.190 0.000 1.132 80 M CA 0.686 55.870 55.300 -0.193 0.000 1.105 80 M CB -0.833 31.733 32.600 -0.057 0.000 1.375 80 M HN 0.691 nan 8.290 nan 0.000 0.477 81 G N 2.966 111.576 108.800 -0.316 0.000 2.256 81 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.272 81 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.272 81 G C -0.185 174.638 174.900 -0.128 0.000 1.076 81 G CA 0.593 45.564 45.100 -0.214 0.000 0.882 81 G HN 0.598 nan 8.290 nan 0.000 0.497 82 D N -2.807 117.508 120.400 -0.142 0.000 2.619 82 D HA 0.373 5.013 4.640 -0.001 0.000 0.300 82 D C 1.433 177.694 176.300 -0.066 0.000 1.502 82 D CA 1.045 55.015 54.000 -0.050 0.000 0.865 82 D CB -0.526 40.310 40.800 0.060 0.000 1.343 82 D HN 1.586 nan 8.370 nan 0.000 0.447 83 G N 0.304 109.020 108.800 -0.141 0.000 2.176 83 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.232 83 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.232 83 G C 0.225 175.157 174.900 0.052 0.000 0.986 83 G CA 0.300 45.376 45.100 -0.041 0.000 0.643 83 G HN 1.159 nan 8.290 nan 0.000 0.522 84 S N -0.766 114.916 115.700 -0.030 0.000 2.600 84 S HA 0.834 5.303 4.470 -0.001 0.000 0.300 84 S C -0.633 173.988 174.600 0.035 0.000 1.087 84 S CA -0.774 57.544 58.200 0.197 0.000 0.965 84 S CB 2.305 65.716 63.200 0.352 0.000 1.089 84 S HN 0.531 nan 8.310 nan 0.000 0.496 85 W N 1.247 122.645 121.300 0.164 0.000 2.844 85 W HA 0.455 5.114 4.660 -0.001 0.000 0.340 85 W C -1.039 175.551 176.519 0.118 0.000 1.093 85 W CA -1.010 56.419 57.345 0.140 0.000 1.212 85 W CB 1.983 31.535 29.460 0.154 0.000 1.422 85 W HN 0.527 nan 8.180 nan 0.000 0.515 86 I N 4.348 125.090 120.570 0.287 0.000 2.301 86 I HA 0.092 4.262 4.170 -0.001 0.000 0.292 86 I C 0.286 176.446 176.117 0.072 0.000 1.046 86 I CA -0.507 60.876 61.300 0.139 0.000 1.282 86 I CB 0.028 38.009 38.000 -0.032 0.000 1.409 86 I HN 0.053 nan 8.210 nan 0.000 0.484 87 V N 6.334 126.243 119.914 -0.009 0.000 2.513 87 V HA 0.622 4.742 4.120 -0.001 0.000 0.299 87 V C -0.063 175.909 176.094 -0.204 0.000 1.035 87 V CA -0.864 61.264 62.300 -0.287 0.000 0.889 87 V CB 1.899 33.425 31.823 -0.494 0.000 0.988 87 V HN 0.691 nan 8.190 nan 0.000 0.440 88 R N 5.521 125.784 120.500 -0.396 0.000 2.346 88 R HA 0.703 5.043 4.340 -0.001 0.000 0.311 88 R C -0.910 175.226 176.300 -0.273 0.000 0.983 88 R CA -0.562 55.341 56.100 -0.328 0.000 0.880 88 R CB 1.811 31.788 30.300 -0.538 0.000 1.100 88 R HN 0.767 nan 8.270 nan 0.000 0.453 89 I N 1.753 122.379 120.570 0.093 0.000 2.465 89 I HA 0.425 4.595 4.170 -0.001 0.000 0.291 89 I C -0.159 176.102 176.117 0.239 0.000 1.014 89 I CA -0.964 60.419 61.300 0.140 0.000 1.093 89 I CB 2.082 40.155 38.000 0.120 0.000 1.267 89 I HN 0.607 nan 8.210 nan 0.000 0.431 90 A N 6.464 129.377 122.820 0.156 0.000 2.304 90 A HA 0.781 5.100 4.320 -0.001 0.000 0.323 90 A C -1.454 176.054 177.584 -0.127 0.000 1.195 90 A CA -0.286 51.857 52.037 0.177 0.000 0.826 90 A CB 0.498 19.631 19.000 0.221 0.000 1.184 90 A HN 0.641 nan 8.150 nan 0.000 0.496 91 Y N 2.594 123.034 120.300 0.233 0.000 2.391 91 Y HA 0.471 5.020 4.550 -0.001 0.000 0.341 91 Y C -2.236 173.796 175.900 0.219 0.000 0.965 91 Y CA -2.541 55.678 58.100 0.197 0.000 1.067 91 Y CB 2.221 40.904 38.460 0.372 0.000 1.199 91 Y HN 0.506 nan 8.280 nan 0.000 0.450 92 P HA -0.002 nan 4.420 nan 0.000 0.276 92 P C 0.525 177.960 177.300 0.225 0.000 1.230 92 P CA -0.218 63.002 63.100 0.200 0.000 0.776 92 P CB 0.634 32.369 31.700 0.059 0.000 0.888 93 F N 3.116 123.258 119.950 0.321 0.000 2.202 93 F HA -0.215 4.310 4.527 -0.002 0.000 0.301 93 F C 1.884 177.851 175.800 0.279 0.000 1.082 93 F CA 1.377 59.556 58.000 0.299 0.000 1.313 93 F CB -1.698 37.397 39.000 0.157 0.000 1.024 93 F HN 0.400 nan 8.300 nan 0.000 0.495 94 H N 0.044 118.603 119.070 -0.851 0.000 2.553 94 H HA 0.436 4.991 4.556 -0.001 0.000 0.269 94 H C 1.638 176.774 175.328 -0.321 0.000 1.011 94 H CA 0.398 56.105 56.048 -0.569 0.000 1.150 94 H CB -0.921 28.403 29.762 -0.729 0.000 1.339 94 H HN 0.435 nan 8.280 nan 0.000 0.604 95 A N 0.409 122.881 122.820 -0.580 0.000 2.119 95 A HA 0.182 4.501 4.320 -0.001 0.000 0.216 95 A C 0.078 177.246 177.584 -0.692 0.000 1.152 95 A CA 0.009 51.613 52.037 -0.721 0.000 0.708 95 A CB -0.265 18.214 19.000 -0.868 0.000 0.805 95 A HN 0.193 nan 8.150 nan 0.000 0.460 96 F N -0.420 119.473 119.950 -0.095 0.000 2.522 96 F HA 0.419 4.945 4.527 -0.001 0.000 0.324 96 F C 0.425 176.198 175.800 -0.046 0.000 1.077 96 F CA -1.298 56.663 58.000 -0.066 0.000 0.944 96 F CB 0.985 39.943 39.000 -0.070 0.000 1.175 96 F HN 0.103 nan 8.300 nan 0.000 0.468 97 E N 1.957 122.244 120.200 0.144 0.000 2.414 97 E HA 0.005 4.355 4.350 -0.001 0.000 0.263 97 E C -0.556 176.074 176.600 0.050 0.000 1.000 97 E CA -0.246 56.195 56.400 0.069 0.000 0.914 97 E CB 0.506 30.229 29.700 0.038 0.000 0.948 97 E HN 0.590 nan 8.360 nan 0.000 0.444 98 E N 2.535 122.751 120.200 0.026 0.000 2.384 98 E HA 0.153 4.502 4.350 -0.001 0.000 0.266 98 E C 0.185 176.730 176.600 -0.092 0.000 1.012 98 E CA 0.469 56.855 56.400 -0.023 0.000 0.901 98 E CB 0.650 30.343 29.700 -0.012 0.000 0.967 98 E HN 0.711 nan 8.360 nan 0.000 0.435 99 A N 3.710 126.418 122.820 -0.185 0.000 2.745 99 A HA -0.218 4.102 4.320 -0.001 0.000 0.296 99 A C 0.000 177.477 177.584 -0.179 0.000 1.500 99 A CA 0.913 52.792 52.037 -0.262 0.000 0.766 99 A CB -1.691 17.175 19.000 -0.224 0.000 1.030 99 A HN 0.522 nan 8.150 nan 0.000 0.489 100 N N -0.415 118.198 118.700 -0.144 0.000 2.762 100 N HA 0.389 5.128 4.740 -0.001 0.000 0.252 100 N C 0.354 175.811 175.510 -0.089 0.000 1.269 100 N CA -0.232 52.770 53.050 -0.080 0.000 0.799 100 N CB 0.648 39.115 38.487 -0.033 0.000 1.173 100 N HN 0.389 nan 8.380 nan 0.000 0.516 101 L N 4.669 125.851 121.223 -0.068 0.000 2.056 101 L HA 0.271 4.610 4.340 -0.001 0.000 0.207 101 L C -1.018 175.775 176.870 -0.128 0.000 1.078 101 L CA 1.835 56.635 54.840 -0.066 0.000 0.749 101 L CB -0.836 41.265 42.059 0.070 0.000 0.901 101 L HN 0.329 nan 8.230 nan 0.000 0.433 102 P HA -0.117 nan 4.420 nan 0.000 0.215 102 P C 1.631 178.902 177.300 -0.048 0.000 1.153 102 P CA 1.837 64.916 63.100 -0.035 0.000 0.853 102 P CB -0.380 31.357 31.700 0.061 0.000 0.788 103 G N -0.085 108.699 108.800 -0.028 0.000 2.402 103 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.216 103 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.216 103 G C 1.437 176.331 174.900 -0.011 0.000 1.162 103 G CA 0.476 45.578 45.100 0.003 0.000 0.777 103 G HN 0.206 nan 8.290 nan 0.000 0.539 104 L N 0.708 121.859 121.223 -0.120 0.000 2.046 104 L HA 0.085 4.425 4.340 -0.001 0.000 0.208 104 L C 2.688 179.417 176.870 -0.236 0.000 1.077 104 L CA 1.363 56.015 54.840 -0.312 0.000 0.747 104 L CB -0.734 41.011 42.059 -0.523 0.000 0.896 104 L HN 0.221 nan 8.230 nan 0.000 0.432 105 L N -0.533 120.556 121.223 -0.225 0.000 2.083 105 L HA -0.186 4.154 4.340 -0.001 0.000 0.209 105 L C 2.633 179.447 176.870 -0.094 0.000 1.083 105 L CA 1.139 55.848 54.840 -0.219 0.000 0.752 105 L CB -0.916 40.914 42.059 -0.381 0.000 0.899 105 L HN 0.384 nan 8.230 nan 0.000 0.433 106 A N -1.086 121.705 122.820 -0.048 0.000 2.024 106 A HA -0.195 4.124 4.320 -0.001 0.000 0.220 106 A C 2.503 180.100 177.584 0.021 0.000 1.164 106 A CA 2.128 54.171 52.037 0.008 0.000 0.643 106 A CB -0.402 18.614 19.000 0.027 0.000 0.806 106 A HN 0.369 nan 8.150 nan 0.000 0.451 107 S N -0.499 115.216 115.700 0.026 0.000 2.341 107 S HA -0.024 4.445 4.470 -0.001 0.000 0.216 107 S C 1.542 176.142 174.600 -0.000 0.000 1.034 107 S CA 1.302 59.535 58.200 0.055 0.000 0.964 107 S CB -0.291 63.033 63.200 0.206 0.000 0.882 107 S HN 0.747 nan 8.310 nan 0.000 0.469 108 I N -0.782 119.751 120.570 -0.061 0.000 3.812 108 I HA 0.534 4.704 4.170 -0.001 0.000 0.320 108 I C 0.586 176.744 176.117 0.068 0.000 1.276 108 I CA -0.300 60.994 61.300 -0.010 0.000 1.164 108 I CB 0.110 38.010 38.000 -0.167 0.000 1.009 108 I HN 0.126 nan 8.210 nan 0.000 0.431 109 A N -0.065 122.771 122.820 0.026 0.000 2.897 109 A HA 0.821 5.141 4.320 -0.001 0.000 0.230 109 A C 0.606 178.330 177.584 0.234 0.000 0.896 109 A CA 0.026 52.168 52.037 0.175 0.000 1.114 109 A CB -0.694 18.421 19.000 0.192 0.000 1.230 109 A HN 0.401 nan 8.150 nan 0.000 0.481 110 G N 0.011 108.840 108.800 0.048 0.000 3.414 110 G HA2 0.289 4.249 3.960 -0.001 0.000 0.196 110 G HA3 0.289 4.249 3.960 -0.001 0.000 0.196 110 G C 0.665 175.610 174.900 0.075 0.000 1.486 110 G CA 0.232 45.388 45.100 0.093 0.000 0.811 110 G HN 0.148 nan 8.290 nan 0.000 0.704 111 N N 1.234 119.949 118.700 0.025 0.000 2.258 111 N HA -0.147 4.593 4.740 -0.001 0.000 0.187 111 N C 2.355 177.843 175.510 -0.037 0.000 1.012 111 N CA 1.435 54.497 53.050 0.020 0.000 0.870 111 N CB -0.502 37.991 38.487 0.009 0.000 0.977 111 N HN 0.607 nan 8.380 nan 0.000 0.434 112 I N -2.769 117.695 120.570 -0.177 0.000 2.423 112 I HA -0.197 3.972 4.170 -0.001 0.000 0.254 112 I C 1.261 177.225 176.117 -0.255 0.000 1.151 112 I CA 1.286 62.403 61.300 -0.304 0.000 1.421 112 I CB -0.684 37.016 38.000 -0.501 0.000 1.079 112 I HN -0.189 nan 8.210 nan 0.000 0.431 113 F N 2.363 122.319 119.950 0.011 0.000 2.451 113 F HA 0.107 4.634 4.527 -0.001 0.000 0.299 113 F C 2.490 178.380 175.800 0.151 0.000 1.101 113 F CA 1.138 59.193 58.000 0.093 0.000 1.436 113 F CB -0.688 38.347 39.000 0.059 0.000 1.074 113 F HN 0.147 nan 8.300 nan 0.000 0.553 114 G N -0.870 108.054 108.800 0.206 0.000 3.088 114 G HA2 0.128 4.088 3.960 -0.001 0.000 0.217 114 G HA3 0.128 4.088 3.960 -0.001 0.000 0.217 114 G C 0.683 175.614 174.900 0.053 0.000 1.159 114 G CA -0.320 44.859 45.100 0.132 0.000 0.760 114 G HN 0.078 nan 8.290 nan 0.000 0.550 115 M N 0.937 120.544 119.600 0.012 0.000 2.246 115 M HA 0.142 4.622 4.480 -0.001 0.000 0.350 115 M C 1.249 177.522 176.300 -0.044 0.000 1.406 115 M CA 0.171 55.443 55.300 -0.046 0.000 1.089 115 M CB 1.215 33.745 32.600 -0.117 0.000 1.782 115 M HN 0.017 nan 8.290 nan 0.000 0.457 116 K N 1.761 122.127 120.400 -0.056 0.000 2.097 116 K HA -0.175 4.145 4.320 -0.001 0.000 0.206 116 K C 1.803 178.341 176.600 -0.103 0.000 1.049 116 K CA 1.343 57.599 56.287 -0.051 0.000 0.933 116 K CB -0.139 32.338 32.500 -0.038 0.000 0.717 116 K HN 0.553 nan 8.250 nan 0.000 0.442 117 R N 1.524 121.896 120.500 -0.212 0.000 2.293 117 R HA -0.079 4.260 4.340 -0.001 0.000 0.219 117 R C 0.139 176.293 176.300 -0.244 0.000 1.091 117 R CA 0.655 56.496 56.100 -0.431 0.000 1.004 117 R CB -0.003 29.978 30.300 -0.532 0.000 0.865 117 R HN 0.075 nan 8.270 nan 0.000 0.469 118 V N -2.161 117.686 119.914 -0.112 0.000 2.628 118 V HA 0.331 4.450 4.120 -0.001 0.000 0.306 118 V C 0.509 176.624 176.094 0.034 0.000 1.045 118 V CA -0.996 61.294 62.300 -0.018 0.000 0.905 118 V CB 2.014 33.834 31.823 -0.004 0.000 0.997 118 V HN 0.023 nan 8.190 nan 0.000 0.436 119 K N 3.160 123.602 120.400 0.069 0.000 2.166 119 K HA 0.408 4.728 4.320 -0.001 0.000 0.201 119 K C 0.719 177.361 176.600 0.071 0.000 1.052 119 K CA 1.073 57.394 56.287 0.057 0.000 0.969 119 K CB 0.250 32.786 32.500 0.061 0.000 0.761 119 K HN 1.053 nan 8.250 nan 0.000 0.459 120 G N 0.896 109.797 108.800 0.168 0.000 2.667 120 G HA2 0.550 4.510 3.960 -0.001 0.000 0.298 120 G HA3 0.550 4.510 3.960 -0.001 0.000 0.298 120 G C -2.236 172.911 174.900 0.411 0.000 1.377 120 G CA -0.604 44.693 45.100 0.328 0.000 0.964 120 G HN 0.091 nan 8.290 nan 0.000 0.493 121 L N 0.953 122.541 121.223 0.608 0.000 2.541 121 L HA 0.669 5.009 4.340 -0.001 0.000 0.266 121 L C -0.635 176.477 176.870 0.403 0.000 0.966 121 L CA -0.666 54.408 54.840 0.390 0.000 0.871 121 L CB 1.796 43.989 42.059 0.223 0.000 1.232 121 L HN 0.577 nan 8.230 nan 0.000 0.408 122 R N 4.211 124.954 120.500 0.405 0.000 2.480 122 R HA 0.557 4.897 4.340 -0.001 0.000 0.306 122 R C -1.533 175.001 176.300 0.390 0.000 0.958 122 R CA -0.975 55.343 56.100 0.362 0.000 0.861 122 R CB 1.719 32.154 30.300 0.226 0.000 1.171 122 R HN 0.688 nan 8.270 nan 0.000 0.445 123 L N 4.751 126.187 121.223 0.354 0.000 2.325 123 L HA 0.190 4.529 4.340 -0.001 0.000 0.284 123 L C 0.739 177.627 176.870 0.030 0.000 1.089 123 L CA 0.564 55.427 54.840 0.038 0.000 0.836 123 L CB 0.958 43.043 42.059 0.042 0.000 1.184 123 L HN 0.679 nan 8.230 nan 0.000 0.444 124 E N 2.332 122.522 120.200 -0.017 0.000 2.216 124 E HA 0.119 4.469 4.350 -0.001 0.000 0.192 124 E C -0.284 176.378 176.600 0.103 0.000 0.973 124 E CA 0.378 56.806 56.400 0.047 0.000 0.851 124 E CB 0.459 30.202 29.700 0.072 0.000 0.804 124 E HN 0.657 nan 8.360 nan 0.000 0.477 125 D N -0.782 119.636 120.400 0.031 0.000 2.654 125 D HA 0.334 4.974 4.640 -0.001 0.000 0.231 125 D C -1.608 174.670 176.300 -0.037 0.000 1.239 125 D CA -0.454 53.613 54.000 0.110 0.000 0.790 125 D CB 1.482 42.377 40.800 0.159 0.000 1.480 125 D HN -0.142 nan 8.370 nan 0.000 0.442 126 L N 3.307 124.481 121.223 -0.082 0.000 2.372 126 L HA 0.347 4.686 4.340 -0.001 0.000 0.273 126 L C -1.192 175.543 176.870 -0.225 0.000 0.989 126 L CA -1.009 53.706 54.840 -0.207 0.000 0.841 126 L CB 1.485 43.279 42.059 -0.443 0.000 1.225 126 L HN 0.445 nan 8.230 nan 0.000 0.414 127 Y N 4.689 124.930 120.300 -0.099 0.000 2.336 127 Y HA 0.445 4.994 4.550 -0.001 0.000 0.335 127 Y C -1.083 174.917 175.900 0.166 0.000 1.046 127 Y CA -0.270 57.816 58.100 -0.024 0.000 1.198 127 Y CB 0.602 39.111 38.460 0.081 0.000 1.182 127 Y HN 0.247 nan 8.280 nan 0.000 0.502 128 F N 8.098 127.545 119.950 -0.838 0.000 2.444 128 F HA 0.445 4.972 4.527 0.000 0.000 0.342 128 F C -2.124 173.071 175.800 -1.008 0.000 1.121 128 F CA -3.502 54.082 58.000 -0.693 0.000 0.997 128 F CB 1.196 39.968 39.000 -0.379 0.000 1.130 128 F HN 0.444 nan 8.300 nan 0.000 0.454 129 P HA 0.049 nan 4.420 nan 0.000 0.272 129 P C 0.739 177.936 177.300 -0.172 0.000 1.240 129 P CA -0.118 62.857 63.100 -0.208 0.000 0.791 129 P CB 1.091 32.780 31.700 -0.018 0.000 0.978 130 E N 1.110 121.240 120.200 -0.117 0.000 2.147 130 E HA -0.276 4.073 4.350 -0.001 0.000 0.199 130 E C 1.833 178.259 176.600 -0.291 0.000 1.005 130 E CA 1.592 57.836 56.400 -0.259 0.000 0.810 130 E CB -0.117 29.312 29.700 -0.450 0.000 0.736 130 E HN 0.356 nan 8.360 nan 0.000 0.460 131 K N -0.132 120.088 120.400 -0.300 0.000 2.074 131 K HA -0.204 4.115 4.320 -0.001 0.000 0.209 131 K C 2.122 178.564 176.600 -0.263 0.000 1.048 131 K CA 1.402 57.491 56.287 -0.331 0.000 0.926 131 K CB -0.052 32.133 32.500 -0.525 0.000 0.713 131 K HN 0.093 nan 8.250 nan 0.000 0.444 132 L N 1.021 122.091 121.223 -0.255 0.000 2.044 132 L HA -0.149 4.191 4.340 -0.001 0.000 0.205 132 L C 2.153 179.020 176.870 -0.005 0.000 1.075 132 L CA 1.103 55.800 54.840 -0.239 0.000 0.747 132 L CB -0.447 41.312 42.059 -0.501 0.000 0.903 132 L HN 0.232 nan 8.230 nan 0.000 0.435 133 I N -0.211 120.380 120.570 0.034 0.000 2.185 133 I HA -0.329 3.840 4.170 -0.001 0.000 0.246 133 I C 2.332 178.542 176.117 0.155 0.000 1.088 133 I CA 1.550 62.947 61.300 0.161 0.000 1.347 133 I CB -1.007 37.038 38.000 0.076 0.000 1.041 133 I HN 0.347 nan 8.210 nan 0.000 0.415 134 R N 0.443 120.930 120.500 -0.023 0.000 2.323 134 R HA -0.046 4.293 4.340 -0.001 0.000 0.198 134 R C 1.474 177.733 176.300 -0.068 0.000 0.988 134 R CA 0.194 56.263 56.100 -0.052 0.000 1.041 134 R CB -0.057 30.158 30.300 -0.143 0.000 0.926 134 R HN 0.497 nan 8.270 nan 0.000 0.476 135 E N -0.330 119.801 120.200 -0.114 0.000 2.502 135 E HA 0.014 4.363 4.350 -0.001 0.000 0.194 135 E C -0.499 175.839 176.600 -0.436 0.000 1.062 135 E CA 0.324 56.548 56.400 -0.294 0.000 0.867 135 E CB 0.282 29.724 29.700 -0.430 0.000 0.888 135 E HN 0.090 nan 8.360 nan 0.000 0.510 136 F N -0.426 119.510 119.950 -0.023 0.000 2.556 136 F HA 0.237 4.764 4.527 0.000 0.000 0.327 136 F C 1.198 177.009 175.800 0.017 0.000 1.059 136 F CA -0.916 57.093 58.000 0.015 0.000 0.953 136 F CB 1.352 40.384 39.000 0.053 0.000 1.227 136 F HN -0.247 nan 8.300 nan 0.000 0.478 137 D N 0.375 120.910 120.400 0.226 0.000 2.338 137 D HA 0.222 4.862 4.640 -0.001 0.000 0.208 137 D C 1.097 177.470 176.300 0.121 0.000 0.997 137 D CA 1.191 55.266 54.000 0.125 0.000 0.880 137 D CB 0.465 41.309 40.800 0.074 0.000 0.980 137 D HN 0.734 nan 8.370 nan 0.000 0.509 138 G N 1.646 110.538 108.800 0.152 0.000 2.796 138 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.226 138 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.226 138 G C -2.678 172.259 174.900 0.062 0.000 1.381 138 G CA -0.992 44.164 45.100 0.093 0.000 0.867 138 G HN -0.022 nan 8.290 nan 0.000 0.552 139 P HA 0.405 nan 4.420 nan 0.000 0.266 139 P C 0.733 178.053 177.300 0.034 0.000 1.195 139 P CA 0.925 64.052 63.100 0.046 0.000 0.768 139 P CB 0.908 32.627 31.700 0.031 0.000 0.838 140 A N 1.749 124.599 122.820 0.051 0.000 2.081 140 A HA 0.040 4.359 4.320 -0.001 0.000 0.214 140 A C 1.251 178.699 177.584 -0.227 0.000 1.158 140 A CA 1.145 53.135 52.037 -0.077 0.000 0.724 140 A CB -0.912 18.035 19.000 -0.087 0.000 0.826 140 A HN 0.506 nan 8.150 nan 0.000 0.463 141 F N -1.018 118.917 119.950 -0.026 0.000 2.532 141 F HA 0.415 4.942 4.527 -0.000 0.000 0.278 141 F C 1.759 177.543 175.800 -0.027 0.000 0.975 141 F CA 0.642 58.628 58.000 -0.023 0.000 1.292 141 F CB -0.440 38.545 39.000 -0.026 0.000 1.112 141 F HN 0.397 nan 8.300 nan 0.000 0.703 142 G N 1.394 110.295 108.800 0.168 0.000 2.740 142 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.250 142 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.250 142 G C 0.783 175.683 174.900 0.001 0.000 1.358 142 G CA 0.008 45.130 45.100 0.036 0.000 0.897 142 G HN 0.269 nan 8.290 nan 0.000 0.567 143 I N 0.467 120.906 120.570 -0.218 0.000 2.208 143 I HA -0.119 4.050 4.170 -0.001 0.000 0.245 143 I C 3.306 179.295 176.117 -0.213 0.000 1.097 143 I CA 2.831 63.806 61.300 -0.541 0.000 1.363 143 I CB -0.877 36.633 38.000 -0.816 0.000 1.051 143 I HN 0.913 nan 8.210 nan 0.000 0.413 144 E N 1.163 121.296 120.200 -0.112 0.000 2.051 144 E HA -0.151 4.198 4.350 -0.001 0.000 0.192 144 E C 2.338 178.975 176.600 0.062 0.000 0.991 144 E CA 1.424 57.808 56.400 -0.026 0.000 0.799 144 E CB -1.584 28.098 29.700 -0.030 0.000 0.748 144 E HN 0.622 nan 8.360 nan 0.000 0.449 145 G N 0.134 109.002 108.800 0.113 0.000 2.418 145 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.217 145 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.217 145 G C 1.946 177.035 174.900 0.315 0.000 1.158 145 G CA 1.396 46.648 45.100 0.253 0.000 0.771 145 G HN 0.459 nan 8.290 nan 0.000 0.545 146 V N 0.449 120.525 119.914 0.270 0.000 2.379 146 V HA -0.083 4.036 4.120 -0.001 0.000 0.245 146 V C 2.869 179.128 176.094 0.275 0.000 1.044 146 V CA 1.596 64.057 62.300 0.268 0.000 1.036 146 V CB -0.435 31.622 31.823 0.391 0.000 0.664 146 V HN 0.280 nan 8.190 nan 0.000 0.453 147 R N 0.214 120.878 120.500 0.273 0.000 2.096 147 R HA -0.202 4.138 4.340 -0.001 0.000 0.235 147 R C 2.425 178.816 176.300 0.152 0.000 1.127 147 R CA 1.694 57.925 56.100 0.218 0.000 0.968 147 R CB -0.327 30.069 30.300 0.160 0.000 0.861 147 R HN 0.486 nan 8.270 nan 0.000 0.440 148 K N 1.365 121.847 120.400 0.138 0.000 2.057 148 K HA -0.173 4.146 4.320 -0.001 0.000 0.206 148 K C 2.305 178.979 176.600 0.124 0.000 1.050 148 K CA 1.692 58.049 56.287 0.115 0.000 0.935 148 K CB -0.065 32.499 32.500 0.107 0.000 0.715 148 K HN 0.144 nan 8.250 nan 0.000 0.439 149 M N -0.144 119.547 119.600 0.152 0.000 2.175 149 M HA -0.086 4.393 4.480 -0.001 0.000 0.264 149 M C 1.357 177.728 176.300 0.118 0.000 1.063 149 M CA 1.634 57.015 55.300 0.134 0.000 1.119 149 M CB -0.148 32.521 32.600 0.116 0.000 1.377 149 M HN 0.047 nan 8.290 nan 0.000 0.415 150 L N 0.350 121.653 121.223 0.132 0.000 2.567 150 L HA 0.195 4.534 4.340 -0.001 0.000 0.225 150 L C 0.145 177.071 176.870 0.094 0.000 1.119 150 L CA 0.063 54.972 54.840 0.116 0.000 0.871 150 L CB -0.508 41.632 42.059 0.133 0.000 1.036 150 L HN 0.433 nan 8.230 nan 0.000 0.459 151 E N 0.919 121.176 120.200 0.094 0.000 2.297 151 E HA -0.217 4.132 4.350 -0.001 0.000 0.228 151 E C -0.371 176.274 176.600 0.074 0.000 1.213 151 E CA 0.286 56.732 56.400 0.076 0.000 0.712 151 E CB -1.314 28.422 29.700 0.060 0.000 1.202 151 E HN 0.458 nan 8.360 nan 0.000 0.376 152 I N -0.499 120.127 120.570 0.093 0.000 2.420 152 I HA 0.200 4.370 4.170 -0.001 0.000 0.282 152 I C 1.270 177.448 176.117 0.100 0.000 1.019 152 I CA -0.116 61.239 61.300 0.091 0.000 1.130 152 I CB 1.150 39.213 38.000 0.104 0.000 1.262 152 I HN 0.172 nan 8.210 nan 0.000 0.454 153 K N 3.805 124.249 120.400 0.074 0.000 2.044 153 K HA -0.034 4.285 4.320 -0.001 0.000 0.204 153 K C 1.086 177.726 176.600 0.066 0.000 1.049 153 K CA 1.535 57.861 56.287 0.064 0.000 0.945 153 K CB -0.139 32.388 32.500 0.044 0.000 0.724 153 K HN 0.649 nan 8.250 nan 0.000 0.440 154 D N -1.109 119.327 120.400 0.061 0.000 2.929 154 D HA 0.053 4.693 4.640 -0.001 0.000 0.291 154 D C 0.581 176.920 176.300 0.065 0.000 1.086 154 D CA -0.039 53.993 54.000 0.053 0.000 0.971 154 D CB 0.097 40.916 40.800 0.031 0.000 1.275 154 D HN 0.501 nan 8.370 nan 0.000 0.469 155 R N 2.662 123.195 120.500 0.055 0.000 2.734 155 R HA 0.246 4.586 4.340 -0.001 0.000 0.266 155 R C -2.495 173.852 176.300 0.078 0.000 1.044 155 R CA -0.986 55.141 56.100 0.046 0.000 1.128 155 R CB -0.709 29.605 30.300 0.023 0.000 1.010 155 R HN -0.122 nan 8.270 nan 0.000 0.461 156 P HA -0.047 nan 4.420 nan 0.000 0.268 156 P C -0.144 177.191 177.300 0.058 0.000 1.208 156 P CA 0.010 63.152 63.100 0.071 0.000 0.777 156 P CB 0.316 32.037 31.700 0.035 0.000 0.875 157 I N 2.206 122.779 120.570 0.004 0.000 2.575 157 I HA 0.112 4.282 4.170 -0.001 0.000 0.285 157 I C 0.302 176.494 176.117 0.126 0.000 1.085 157 I CA -0.307 61.010 61.300 0.028 0.000 1.403 157 I CB -0.872 37.066 38.000 -0.103 0.000 1.409 157 I HN 0.407 nan 8.210 nan 0.000 0.557 158 Y N 4.568 124.853 120.300 -0.024 0.000 2.391 158 Y HA 0.766 5.316 4.550 -0.001 0.000 0.341 158 Y C -0.256 175.372 175.900 -0.454 0.000 0.965 158 Y CA -0.877 57.140 58.100 -0.139 0.000 1.067 158 Y CB 1.763 40.136 38.460 -0.146 0.000 1.199 158 Y HN 0.713 nan 8.280 nan 0.000 0.450 159 G N 2.834 110.827 108.800 -1.344 0.000 2.687 159 G HA2 0.618 4.577 3.960 -0.001 0.000 0.291 159 G HA3 0.618 4.577 3.960 -0.001 0.000 0.291 159 G C -2.397 171.713 174.900 -1.317 0.000 1.420 159 G CA -0.923 42.725 45.100 -2.420 0.000 0.796 159 G HN 0.652 nan 8.290 nan 0.000 0.485 160 V N -0.051 119.278 119.914 -0.975 0.000 2.686 160 V HA 0.501 4.620 4.120 -0.001 0.000 0.306 160 V C -0.363 175.635 176.094 -0.159 0.000 1.065 160 V CA -0.738 61.321 62.300 -0.401 0.000 0.894 160 V CB 1.753 33.373 31.823 -0.339 0.000 1.004 160 V HN 0.626 nan 8.190 nan 0.000 0.424 161 V N 6.512 126.413 119.914 -0.021 0.000 2.383 161 V HA 0.331 4.451 4.120 -0.001 0.000 0.275 161 V C -2.235 173.888 176.094 0.048 0.000 1.036 161 V CA -1.924 60.417 62.300 0.068 0.000 0.889 161 V CB 1.518 33.414 31.823 0.120 0.000 0.985 161 V HN 0.734 nan 8.190 nan 0.000 0.459 162 P HA 0.165 nan 4.420 nan 0.000 0.265 162 P C -0.645 176.669 177.300 0.023 0.000 1.193 162 P CA 0.055 63.125 63.100 -0.050 0.000 0.765 162 P CB 0.413 31.959 31.700 -0.257 0.000 0.823 163 K N 3.715 124.115 120.400 -0.001 0.000 2.324 163 K HA 0.464 4.783 4.320 -0.001 0.000 0.253 163 K C -2.372 174.252 176.600 0.039 0.000 0.932 163 K CA -2.048 54.274 56.287 0.058 0.000 0.799 163 K CB 1.160 33.695 32.500 0.058 0.000 1.154 163 K HN 0.310 nan 8.250 nan 0.000 0.425 164 P HA 0.109 nan 4.420 nan 0.000 0.269 164 P C 0.244 177.665 177.300 0.202 0.000 1.217 164 P CA -0.167 63.005 63.100 0.120 0.000 0.783 164 P CB 0.908 32.667 31.700 0.097 0.000 0.898 165 K N 0.020 120.502 120.400 0.136 0.000 2.032 165 K HA -0.044 4.276 4.320 -0.001 0.000 0.209 165 K C 1.076 177.755 176.600 0.131 0.000 1.048 165 K CA 1.524 57.894 56.287 0.138 0.000 0.927 165 K CB -0.419 32.123 32.500 0.069 0.000 0.712 165 K HN 0.507 nan 8.250 nan 0.000 0.441 166 V N -5.536 114.392 119.914 0.024 0.000 3.160 166 V HA 0.791 4.910 4.120 -0.001 0.000 0.310 166 V C 0.312 176.255 176.094 -0.252 0.000 1.181 166 V CA -0.313 61.900 62.300 -0.145 0.000 1.047 166 V CB 1.587 33.371 31.823 -0.065 0.000 1.068 166 V HN 0.408 nan 8.190 nan 0.000 0.441 167 G N 0.506 108.966 108.800 -0.566 0.000 2.192 167 G HA2 -0.126 3.833 3.960 -0.001 0.000 0.193 167 G HA3 -0.126 3.833 3.960 -0.001 0.000 0.193 167 G C -0.391 174.353 174.900 -0.260 0.000 0.999 167 G CA 0.235 45.010 45.100 -0.541 0.000 0.659 167 G HN 2.254 nan 8.290 nan 0.000 0.503 168 Y N 1.293 121.507 120.300 -0.143 0.000 2.487 168 Y HA 0.838 5.388 4.550 -0.001 0.000 0.337 168 Y C 0.442 176.336 175.900 -0.010 0.000 1.076 168 Y CA -1.132 56.938 58.100 -0.050 0.000 1.115 168 Y CB 1.134 39.596 38.460 0.004 0.000 1.235 168 Y HN 0.497 nan 8.280 nan 0.000 0.468 169 S N 0.700 116.513 115.700 0.189 0.000 2.693 169 S HA 0.454 4.924 4.470 -0.001 0.000 0.276 169 S C -2.205 172.521 174.600 0.210 0.000 1.192 169 S CA -1.347 56.922 58.200 0.115 0.000 0.994 169 S CB 1.616 64.874 63.200 0.096 0.000 1.012 169 S HN 0.571 nan 8.310 nan 0.000 0.550 170 P HA -0.014 nan 4.420 nan 0.000 0.217 170 P C 0.949 178.359 177.300 0.182 0.000 1.150 170 P CA 1.137 64.332 63.100 0.160 0.000 0.832 170 P CB -0.018 31.716 31.700 0.057 0.000 0.787 171 E N 0.090 120.356 120.200 0.110 0.000 2.051 171 E HA -0.189 4.160 4.350 -0.001 0.000 0.192 171 E C 1.954 178.596 176.600 0.070 0.000 0.991 171 E CA 1.254 57.694 56.400 0.066 0.000 0.799 171 E CB -0.791 28.937 29.700 0.046 0.000 0.748 171 E HN 0.392 nan 8.360 nan 0.000 0.449 172 E N -0.339 119.929 120.200 0.113 0.000 2.153 172 E HA -0.184 4.165 4.350 -0.001 0.000 0.194 172 E C 1.722 178.377 176.600 0.091 0.000 0.988 172 E CA 0.852 57.310 56.400 0.096 0.000 0.811 172 E CB -0.177 29.602 29.700 0.133 0.000 0.746 172 E HN 0.217 nan 8.360 nan 0.000 0.466 173 F N 1.884 121.837 119.950 0.006 0.000 2.206 173 F HA -0.095 4.431 4.527 -0.001 0.000 0.298 173 F C 2.216 177.957 175.800 -0.098 0.000 1.090 173 F CA 1.537 59.500 58.000 -0.062 0.000 1.323 173 F CB -0.046 38.994 39.000 0.066 0.000 1.028 173 F HN -0.093 nan 8.300 nan 0.000 0.492 174 E N 0.344 120.439 120.200 -0.174 0.000 2.085 174 E HA -0.316 4.034 4.350 -0.001 0.000 0.194 174 E C 2.193 178.647 176.600 -0.244 0.000 0.994 174 E CA 1.563 57.793 56.400 -0.284 0.000 0.801 174 E CB -0.172 29.446 29.700 -0.136 0.000 0.743 174 E HN 0.258 nan 8.360 nan 0.000 0.453 175 K N 0.525 120.834 120.400 -0.152 0.000 2.025 175 K HA -0.144 4.176 4.320 -0.001 0.000 0.207 175 K C 2.100 178.639 176.600 -0.102 0.000 1.049 175 K CA 1.205 57.436 56.287 -0.094 0.000 0.933 175 K CB -0.587 31.876 32.500 -0.062 0.000 0.714 175 K HN 0.234 nan 8.250 nan 0.000 0.438 176 L N 0.370 121.488 121.223 -0.174 0.000 2.046 176 L HA 0.009 4.349 4.340 -0.001 0.000 0.208 176 L C 2.075 178.782 176.870 -0.272 0.000 1.077 176 L CA 2.141 56.864 54.840 -0.195 0.000 0.747 176 L CB -0.912 41.024 42.059 -0.204 0.000 0.896 176 L HN 0.236 nan 8.230 nan 0.000 0.432 177 A N -1.372 121.177 122.820 -0.452 0.000 1.898 177 A HA -0.265 4.055 4.320 -0.001 0.000 0.216 177 A C 2.295 179.708 177.584 -0.285 0.000 1.181 177 A CA 1.680 53.420 52.037 -0.496 0.000 0.620 177 A CB -1.212 17.276 19.000 -0.853 0.000 0.819 177 A HN 0.623 nan 8.150 nan 0.000 0.442 178 Y N 1.260 121.372 120.300 -0.313 0.000 2.128 178 Y HA -0.248 4.302 4.550 -0.001 0.000 0.284 178 Y C 1.879 177.675 175.900 -0.173 0.000 1.154 178 Y CA 2.178 60.149 58.100 -0.215 0.000 1.149 178 Y CB -0.228 38.124 38.460 -0.179 0.000 0.976 178 Y HN 0.354 nan 8.280 nan 0.000 0.505 179 D N 0.084 120.402 120.400 -0.136 0.000 2.117 179 D HA -0.176 4.463 4.640 -0.001 0.000 0.197 179 D C 2.333 178.501 176.300 -0.221 0.000 0.987 179 D CA 1.636 55.529 54.000 -0.178 0.000 0.829 179 D CB -0.444 40.312 40.800 -0.074 0.000 0.961 179 D HN 0.402 nan 8.370 nan 0.000 0.460 180 L N -0.121 120.973 121.223 -0.214 0.000 2.005 180 L HA -0.154 4.186 4.340 -0.001 0.000 0.207 180 L C 2.250 178.976 176.870 -0.241 0.000 1.072 180 L CA 0.531 55.245 54.840 -0.210 0.000 0.744 180 L CB -0.312 41.609 42.059 -0.229 0.000 0.895 180 L HN 0.051 nan 8.230 nan 0.000 0.433 181 L N -0.588 120.468 121.223 -0.278 0.000 2.131 181 L HA -0.144 4.196 4.340 -0.001 0.000 0.210 181 L C 2.615 179.333 176.870 -0.253 0.000 1.092 181 L CA 1.475 56.158 54.840 -0.261 0.000 0.759 181 L CB -1.018 40.895 42.059 -0.243 0.000 0.903 181 L HN 0.107 nan 8.230 nan 0.000 0.435 182 S N -0.561 114.931 115.700 -0.346 0.000 2.447 182 S HA -0.033 4.437 4.470 -0.001 0.000 0.233 182 S C 1.304 175.772 174.600 -0.219 0.000 1.006 182 S CA 0.702 58.690 58.200 -0.352 0.000 0.957 182 S CB -0.248 62.596 63.200 -0.593 0.000 0.773 182 S HN 0.506 nan 8.310 nan 0.000 0.507 183 N N -0.115 118.474 118.700 -0.184 0.000 2.338 183 N HA 0.253 4.992 4.740 -0.001 0.000 0.251 183 N C 0.837 176.309 175.510 -0.063 0.000 1.199 183 N CA 0.551 53.531 53.050 -0.116 0.000 0.879 183 N CB 1.357 39.777 38.487 -0.112 0.000 1.159 183 N HN 0.471 nan 8.380 nan 0.000 0.514 184 G N 0.464 109.227 108.800 -0.061 0.000 2.617 184 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.197 184 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.197 184 G C 0.222 175.135 174.900 0.022 0.000 1.017 184 G CA -0.087 45.019 45.100 0.011 0.000 0.713 184 G HN 0.444 nan 8.290 nan 0.000 0.481 185 A N 0.890 123.637 122.820 -0.120 0.000 2.511 185 A HA 0.506 4.826 4.320 -0.001 0.000 0.242 185 A C 1.098 178.468 177.584 -0.356 0.000 1.069 185 A CA 1.011 52.767 52.037 -0.470 0.000 0.763 185 A CB 0.236 18.854 19.000 -0.636 0.000 1.001 185 A HN 0.234 nan 8.150 nan 0.000 0.498 186 D N -0.163 120.002 120.400 -0.392 0.000 2.249 186 D HA 0.100 4.739 4.640 -0.001 0.000 0.205 186 D C -0.021 176.179 176.300 -0.167 0.000 0.962 186 D CA 1.728 55.620 54.000 -0.179 0.000 0.860 186 D CB 0.061 40.842 40.800 -0.032 0.000 0.955 186 D HN 0.726 nan 8.370 nan 0.000 0.505 187 Y N -1.691 118.353 120.300 -0.426 0.000 2.597 187 Y HA 0.536 5.086 4.550 -0.001 0.000 0.340 187 Y C -0.685 174.924 175.900 -0.485 0.000 1.097 187 Y CA -1.447 56.354 58.100 -0.498 0.000 1.037 187 Y CB 0.764 38.703 38.460 -0.869 0.000 1.305 187 Y HN -0.398 nan 8.280 nan 0.000 0.463 191 D N 1.177 121.636 120.400 0.099 0.000 2.400 191 D HA -0.018 4.621 4.640 -0.001 0.000 0.238 191 D C 1.521 177.774 176.300 -0.077 0.000 1.157 191 D CA 0.068 54.089 54.000 0.036 0.000 0.889 191 D CB 1.037 41.874 40.800 0.062 0.000 1.199 191 D HN 0.374 nan 8.370 nan 0.000 0.436 192 E N 2.379 122.428 120.200 -0.251 0.000 2.267 192 E HA -0.236 4.113 4.350 -0.001 0.000 0.197 192 E C 0.595 177.070 176.600 -0.208 0.000 0.998 192 E CA 1.018 57.162 56.400 -0.426 0.000 0.830 192 E CB -0.290 28.813 29.700 -0.996 0.000 0.751 192 E HN 0.501 nan 8.360 nan 0.000 0.491 193 N N 0.811 119.439 118.700 -0.119 0.000 2.230 193 N HA 0.025 4.765 4.740 -0.001 0.000 0.202 193 N C 0.107 175.592 175.510 -0.042 0.000 1.119 193 N CA -0.345 52.665 53.050 -0.066 0.000 0.851 193 N CB -0.137 38.328 38.487 -0.037 0.000 0.990 193 N HN 0.101 nan 8.380 nan 0.000 0.497 194 L N 2.048 123.246 121.223 -0.042 0.000 2.261 194 L HA 0.408 4.748 4.340 -0.001 0.000 0.289 194 L C 0.701 177.552 176.870 -0.031 0.000 1.059 194 L CA 0.081 54.894 54.840 -0.045 0.000 0.816 194 L CB 0.740 42.777 42.059 -0.037 0.000 1.191 194 L HN 0.290 nan 8.230 nan 0.000 0.431 195 T N -0.129 114.392 114.554 -0.056 0.000 1.944 195 T HA 0.292 4.642 4.350 -0.001 0.000 0.177 195 T C 0.393 175.091 174.700 -0.004 0.000 0.694 195 T CA 0.205 62.293 62.100 -0.020 0.000 1.337 195 T CB 0.212 69.048 68.868 -0.053 0.000 3.196 195 T HN 0.318 nan 8.240 nan 0.000 0.405 196 S N 3.077 118.741 115.700 -0.060 0.000 2.327 196 S HA 0.448 4.918 4.470 -0.001 0.000 0.203 196 S C -2.646 171.850 174.600 -0.173 0.000 1.326 196 S CA -1.295 56.867 58.200 -0.063 0.000 1.248 196 S CB -0.128 63.090 63.200 0.030 0.000 1.199 196 S HN 0.518 nan 8.310 nan 0.000 0.422 197 P HA 0.173 nan 4.420 nan 0.000 0.276 197 P C 1.546 178.513 177.300 -0.554 0.000 1.261 197 P CA -0.699 62.080 63.100 -0.536 0.000 0.800 197 P CB 0.311 31.355 31.700 -1.093 0.000 1.066 198 W N 1.777 122.878 121.300 -0.332 0.000 2.342 198 W HA -0.240 4.420 4.660 -0.001 0.000 0.297 198 W C 1.505 177.937 176.519 -0.145 0.000 1.213 198 W CA 1.280 58.530 57.345 -0.159 0.000 1.251 198 W CB -2.037 27.403 29.460 -0.033 0.000 1.136 198 W HN 0.380 nan 8.180 nan 0.000 0.526 199 Y N 0.262 119.899 120.300 -1.104 0.000 2.583 199 Y HA 0.307 4.857 4.550 -0.001 0.000 0.293 199 Y C 0.612 176.211 175.900 -0.502 0.000 1.157 199 Y CA 0.631 58.081 58.100 -1.085 0.000 1.315 199 Y CB -0.983 36.490 38.460 -1.645 0.000 1.021 199 Y HN -0.091 nan 8.280 nan 0.000 0.536 200 N N 1.206 119.550 118.700 -0.594 0.000 2.976 200 N HA 0.086 4.826 4.740 -0.001 0.000 0.220 200 N C -1.492 173.843 175.510 -0.292 0.000 1.428 200 N CA -0.264 52.572 53.050 -0.356 0.000 0.748 200 N CB 0.700 38.963 38.487 -0.374 0.000 1.484 200 N HN 0.065 nan 8.380 nan 0.000 0.578 201 R N 1.585 121.991 120.500 -0.156 0.000 2.543 201 R HA 0.108 4.447 4.340 -0.001 0.000 0.277 201 R C 1.336 177.647 176.300 0.018 0.000 1.074 201 R CA -0.344 55.724 56.100 -0.053 0.000 1.076 201 R CB 0.198 30.499 30.300 0.001 0.000 0.993 201 R HN 0.479 nan 8.270 nan 0.000 0.459 202 F N 3.234 123.161 119.950 -0.038 0.000 2.091 202 F HA -0.326 4.201 4.527 -0.001 0.000 0.299 202 F C 2.449 178.308 175.800 0.099 0.000 1.103 202 F CA 2.811 60.839 58.000 0.047 0.000 1.228 202 F CB -0.044 38.977 39.000 0.034 0.000 0.984 202 F HN 0.745 nan 8.300 nan 0.000 0.477 203 E N 0.206 120.558 120.200 0.253 0.000 2.153 203 E HA -0.215 4.134 4.350 -0.001 0.000 0.194 203 E C 1.877 178.491 176.600 0.023 0.000 0.988 203 E CA 1.566 58.061 56.400 0.159 0.000 0.811 203 E CB -0.948 28.849 29.700 0.161 0.000 0.746 203 E HN 0.744 nan 8.360 nan 0.000 0.466 204 E N -0.447 119.752 120.200 -0.002 0.000 2.072 204 E HA -0.084 4.266 4.350 -0.001 0.000 0.190 204 E C 2.526 179.070 176.600 -0.093 0.000 0.982 204 E CA 0.680 57.061 56.400 -0.033 0.000 0.803 204 E CB -0.072 29.617 29.700 -0.018 0.000 0.755 204 E HN 0.347 nan 8.360 nan 0.000 0.453 205 R N 0.463 120.867 120.500 -0.160 0.000 2.083 205 R HA -0.149 4.190 4.340 -0.001 0.000 0.237 205 R C 2.389 178.386 176.300 -0.505 0.000 1.137 205 R CA 1.228 57.147 56.100 -0.303 0.000 0.951 205 R CB -0.377 29.694 30.300 -0.381 0.000 0.851 205 R HN 0.122 nan 8.270 nan 0.000 0.434 206 A N 1.335 123.935 122.820 -0.367 0.000 1.883 206 A HA -0.185 4.135 4.320 -0.001 0.000 0.217 206 A C 1.983 179.487 177.584 -0.134 0.000 1.186 206 A CA 1.339 53.260 52.037 -0.193 0.000 0.624 206 A CB -0.325 18.701 19.000 0.045 0.000 0.822 206 A HN 0.221 nan 8.150 nan 0.000 0.444 207 E N -0.229 119.918 120.200 -0.088 0.000 2.077 207 E HA -0.162 4.187 4.350 -0.001 0.000 0.193 207 E C 2.004 178.550 176.600 -0.091 0.000 0.989 207 E CA 1.161 57.528 56.400 -0.055 0.000 0.800 207 E CB -0.355 29.328 29.700 -0.029 0.000 0.746 207 E HN 0.732 nan 8.360 nan 0.000 0.452 208 I N 0.559 121.052 120.570 -0.129 0.000 2.226 208 I HA -0.275 3.895 4.170 -0.001 0.000 0.245 208 I C 2.432 178.428 176.117 -0.202 0.000 1.100 208 I CA 0.847 62.064 61.300 -0.139 0.000 1.374 208 I CB -0.147 37.796 38.000 -0.095 0.000 1.057 208 I HN 0.103 nan 8.210 nan 0.000 0.413 209 M N 0.155 119.562 119.600 -0.322 0.000 2.132 209 M HA -0.093 4.386 4.480 -0.001 0.000 0.263 209 M C 2.583 178.799 176.300 -0.140 0.000 1.065 209 M CA 1.745 56.834 55.300 -0.352 0.000 1.122 209 M CB -1.405 30.755 32.600 -0.734 0.000 1.365 209 M HN 0.271 nan 8.290 nan 0.000 0.411 210 A N 0.165 122.941 122.820 -0.074 0.000 1.940 210 A HA -0.226 4.094 4.320 -0.001 0.000 0.219 210 A C 2.332 179.904 177.584 -0.020 0.000 1.176 210 A CA 2.150 54.186 52.037 -0.002 0.000 0.631 210 A CB -0.664 18.348 19.000 0.020 0.000 0.814 210 A HN 0.536 nan 8.150 nan 0.000 0.446 211 K N -0.654 119.717 120.400 -0.049 0.000 2.031 211 K HA -0.075 4.244 4.320 -0.001 0.000 0.205 211 K C 1.764 178.338 176.600 -0.043 0.000 1.049 211 K CA 1.313 57.574 56.287 -0.044 0.000 0.939 211 K CB -0.222 32.243 32.500 -0.058 0.000 0.717 211 K HN 0.307 nan 8.250 nan 0.000 0.438 212 I N 1.996 122.522 120.570 -0.072 0.000 2.226 212 I HA -0.245 3.925 4.170 -0.001 0.000 0.245 212 I C 2.361 178.464 176.117 -0.022 0.000 1.100 212 I CA 1.204 62.476 61.300 -0.048 0.000 1.374 212 I CB -0.857 37.067 38.000 -0.126 0.000 1.057 212 I HN 0.252 nan 8.210 nan 0.000 0.413 213 I N 0.639 121.187 120.570 -0.037 0.000 2.179 213 I HA -0.319 3.851 4.170 -0.001 0.000 0.242 213 I C 2.171 178.292 176.117 0.006 0.000 1.088 213 I CA 1.472 62.765 61.300 -0.011 0.000 1.357 213 I CB -0.459 37.553 38.000 0.021 0.000 1.051 213 I HN 0.172 nan 8.210 nan 0.000 0.409 214 D N 0.800 121.206 120.400 0.009 0.000 2.104 214 D HA -0.231 4.409 4.640 -0.001 0.000 0.194 214 D C 2.094 178.405 176.300 0.018 0.000 0.994 214 D CA 1.356 55.364 54.000 0.015 0.000 0.830 214 D CB -0.175 40.631 40.800 0.011 0.000 0.959 214 D HN 0.235 nan 8.370 nan 0.000 0.452 215 K N 0.267 120.683 120.400 0.025 0.000 2.025 215 K HA -0.073 4.246 4.320 -0.001 0.000 0.207 215 K C 1.933 178.576 176.600 0.072 0.000 1.049 215 K CA 0.760 57.079 56.287 0.054 0.000 0.933 215 K CB 0.029 32.571 32.500 0.071 0.000 0.714 215 K HN -0.066 nan 8.250 nan 0.000 0.438 216 V N 1.604 121.549 119.914 0.050 0.000 2.453 216 V HA -0.173 3.947 4.120 -0.001 0.000 0.247 216 V C 1.933 178.011 176.094 -0.026 0.000 1.048 216 V CA 1.713 64.000 62.300 -0.021 0.000 1.049 216 V CB -0.357 31.403 31.823 -0.105 0.000 0.672 216 V HN 0.366 nan 8.190 nan 0.000 0.457 217 E N 0.548 120.744 120.200 -0.008 0.000 2.106 217 E HA -0.196 4.154 4.350 -0.001 0.000 0.192 217 E C 2.278 178.881 176.600 0.005 0.000 0.984 217 E CA 1.409 57.808 56.400 -0.001 0.000 0.806 217 E CB -0.351 29.356 29.700 0.012 0.000 0.750 217 E HN 0.825 nan 8.360 nan 0.000 0.458 218 N N 1.218 119.925 118.700 0.011 0.000 2.354 218 N HA -0.131 4.608 4.740 -0.001 0.000 0.179 218 N C 1.616 177.133 175.510 0.012 0.000 1.021 218 N CA 0.965 54.023 53.050 0.013 0.000 0.887 218 N CB -0.309 38.188 38.487 0.016 0.000 0.974 218 N HN 0.191 nan 8.380 nan 0.000 0.437 219 E N -0.825 119.383 120.200 0.013 0.000 2.190 219 E HA -0.055 4.295 4.350 -0.001 0.000 0.191 219 E C 1.924 178.518 176.600 -0.009 0.000 0.978 219 E CA 1.483 57.889 56.400 0.011 0.000 0.839 219 E CB 0.259 29.979 29.700 0.032 0.000 0.787 219 E HN 0.810 nan 8.360 nan 0.000 0.473 220 T N -4.118 110.423 114.554 -0.021 0.000 2.971 220 T HA 0.259 4.608 4.350 -0.001 0.000 0.252 220 T C 1.579 176.270 174.700 -0.014 0.000 1.022 220 T CA 0.407 62.490 62.100 -0.029 0.000 0.980 220 T CB 0.848 69.683 68.868 -0.054 0.000 1.044 220 T HN 0.194 nan 8.240 nan 0.000 0.501 221 G N 1.264 110.060 108.800 -0.006 0.000 2.166 221 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.260 221 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.260 221 G C -0.242 174.661 174.900 0.004 0.000 0.986 221 G CA 0.388 45.489 45.100 0.002 0.000 0.683 221 G HN 0.675 nan 8.290 nan 0.000 0.527 222 E N 0.286 120.483 120.200 -0.004 0.000 2.183 222 E HA 0.428 4.778 4.350 -0.001 0.000 0.271 222 E C -0.013 176.589 176.600 0.004 0.000 0.919 222 E CA -1.003 55.397 56.400 0.000 0.000 0.781 222 E CB 0.949 30.642 29.700 -0.011 0.000 1.140 222 E HN -0.010 nan 8.360 nan 0.000 0.402 223 K N 3.102 123.514 120.400 0.021 0.000 2.368 223 K HA 0.223 4.543 4.320 -0.001 0.000 0.282 223 K C -0.245 176.373 176.600 0.030 0.000 1.035 223 K CA -0.011 56.297 56.287 0.035 0.000 0.973 223 K CB 0.477 33.011 32.500 0.058 0.000 0.957 223 K HN 0.286 nan 8.250 nan 0.000 0.474 224 K N 1.149 121.568 120.400 0.032 0.000 2.385 224 K HA 0.508 4.828 4.320 -0.001 0.000 0.248 224 K C 0.026 176.671 176.600 0.074 0.000 0.955 224 K CA -0.687 55.613 56.287 0.022 0.000 0.816 224 K CB 2.330 34.816 32.500 -0.024 0.000 1.250 224 K HN 0.611 nan 8.250 nan 0.000 0.434 225 T N -0.503 114.101 114.554 0.083 0.000 2.754 225 T HA 0.639 4.989 4.350 -0.001 0.000 0.296 225 T C -2.039 172.759 174.700 0.164 0.000 1.205 225 T CA -0.575 61.625 62.100 0.167 0.000 1.009 225 T CB 0.917 69.951 68.868 0.276 0.000 1.368 225 T HN 0.551 nan 8.240 nan 0.000 0.509 226 W N 2.846 124.150 121.300 0.007 0.000 2.884 226 W HA 0.621 5.281 4.660 -0.001 0.000 0.336 226 W C -2.218 174.379 176.519 0.130 0.000 1.038 226 W CA -1.920 55.408 57.345 -0.029 0.000 1.247 226 W CB 0.714 30.193 29.460 0.032 0.000 1.351 226 W HN 0.401 nan 8.180 nan 0.000 0.446 227 F N 5.774 125.513 119.950 -0.351 0.000 2.439 227 F HA 0.508 5.034 4.527 -0.001 0.000 0.356 227 F C 0.868 176.194 175.800 -0.791 0.000 1.161 227 F CA -1.360 56.328 58.000 -0.519 0.000 1.151 227 F CB -0.433 38.258 39.000 -0.514 0.000 1.222 227 F HN 0.449 nan 8.300 nan 0.000 0.558 228 A N 3.382 125.689 122.820 -0.855 0.000 2.252 228 A HA 0.350 4.670 4.320 -0.001 0.000 0.309 228 A C 0.277 177.718 177.584 -0.239 0.000 1.285 228 A CA -0.689 50.662 52.037 -1.142 0.000 0.900 228 A CB 0.023 17.982 19.000 -1.736 0.000 1.157 228 A HN 0.561 nan 8.150 nan 0.000 0.536 229 N N 2.696 121.380 118.700 -0.027 0.000 2.399 229 N HA 0.127 4.866 4.740 -0.001 0.000 0.259 229 N C 0.724 176.294 175.510 0.099 0.000 1.160 229 N CA -0.340 52.740 53.050 0.050 0.000 0.946 229 N CB 0.204 38.706 38.487 0.025 0.000 1.156 229 N HN 0.636 nan 8.380 nan 0.000 0.489 230 I N -0.234 120.306 120.570 -0.050 0.000 3.793 230 I HA 0.208 4.377 4.170 -0.001 0.000 0.315 230 I C 0.037 176.042 176.117 -0.186 0.000 1.275 230 I CA -0.264 60.884 61.300 -0.253 0.000 1.214 230 I CB -0.346 37.506 38.000 -0.246 0.000 1.018 230 I HN 0.103 nan 8.210 nan 0.000 0.439 231 T N 3.505 117.993 114.554 -0.110 0.000 2.800 231 T HA 0.397 4.747 4.350 -0.001 0.000 0.283 231 T C 0.188 174.833 174.700 -0.091 0.000 0.999 231 T CA 0.810 62.855 62.100 -0.092 0.000 1.176 231 T CB 0.171 68.990 68.868 -0.082 0.000 0.973 231 T HN 0.711 nan 8.240 nan 0.000 0.519 232 A N 3.696 126.470 122.820 -0.078 0.000 2.428 232 A HA 0.496 4.816 4.320 -0.001 0.000 0.304 232 A C -1.251 176.306 177.584 -0.045 0.000 1.085 232 A CA -0.997 51.000 52.037 -0.066 0.000 0.605 232 A CB 0.502 19.447 19.000 -0.091 0.000 1.393 232 A HN 0.611 nan 8.150 nan 0.000 0.541 233 D N 0.104 120.484 120.400 -0.034 0.000 2.368 233 D HA 0.223 4.863 4.640 -0.001 0.000 0.240 233 D C 1.484 177.776 176.300 -0.013 0.000 1.169 233 D CA -0.099 53.889 54.000 -0.019 0.000 0.906 233 D CB 0.962 41.754 40.800 -0.014 0.000 1.187 233 D HN 0.532 nan 8.370 nan 0.000 0.435 234 L N 2.284 123.509 121.223 0.004 0.000 1.991 234 L HA -0.277 4.063 4.340 -0.001 0.000 0.221 234 L C 2.053 178.944 176.870 0.035 0.000 1.079 234 L CA 1.834 56.692 54.840 0.030 0.000 0.778 234 L CB -0.682 41.393 42.059 0.028 0.000 0.893 234 L HN 0.377 nan 8.230 nan 0.000 0.437 235 L N -0.505 120.729 121.223 0.019 0.000 2.042 235 L HA -0.215 4.125 4.340 -0.001 0.000 0.210 235 L C 2.585 179.455 176.870 0.001 0.000 1.076 235 L CA 1.651 56.503 54.840 0.020 0.000 0.749 235 L CB -1.331 40.734 42.059 0.010 0.000 0.893 235 L HN 0.331 nan 8.230 nan 0.000 0.432 236 E N -1.160 119.025 120.200 -0.025 0.000 2.077 236 E HA -0.180 4.169 4.350 -0.001 0.000 0.193 236 E C 2.324 178.859 176.600 -0.108 0.000 0.989 236 E CA 1.142 57.502 56.400 -0.066 0.000 0.800 236 E CB -0.263 29.392 29.700 -0.075 0.000 0.746 236 E HN 0.385 nan 8.360 nan 0.000 0.452 237 M N 0.026 119.578 119.600 -0.082 0.000 2.117 237 M HA -0.170 4.310 4.480 -0.001 0.000 0.262 237 M C 1.991 178.254 176.300 -0.062 0.000 1.065 237 M CA 1.400 56.639 55.300 -0.101 0.000 1.114 237 M CB -0.298 32.272 32.600 -0.050 0.000 1.361 237 M HN 0.122 nan 8.290 nan 0.000 0.408 238 E N 0.235 120.442 120.200 0.012 0.000 2.058 238 E HA -0.246 4.104 4.350 -0.001 0.000 0.194 238 E C 2.047 178.667 176.600 0.034 0.000 0.997 238 E CA 1.344 57.783 56.400 0.065 0.000 0.801 238 E CB -0.187 29.584 29.700 0.119 0.000 0.746 238 E HN 0.595 nan 8.360 nan 0.000 0.450 239 Q N 0.270 120.064 119.800 -0.010 0.000 2.084 239 Q HA -0.160 4.179 4.340 -0.001 0.000 0.202 239 Q C 2.217 178.171 176.000 -0.077 0.000 0.978 239 Q CA 1.218 57.005 55.803 -0.026 0.000 0.844 239 Q CB -0.113 28.605 28.738 -0.032 0.000 0.898 239 Q HN 0.154 nan 8.270 nan 0.000 0.426 240 R N 0.212 120.592 120.500 -0.199 0.000 2.090 240 R HA -0.041 4.298 4.340 -0.001 0.000 0.228 240 R C 2.290 178.500 176.300 -0.150 0.000 1.110 240 R CA 0.801 56.663 56.100 -0.396 0.000 0.973 240 R CB -0.189 29.495 30.300 -1.027 0.000 0.869 240 R HN 0.199 nan 8.270 nan 0.000 0.440 241 L N 0.551 121.717 121.223 -0.094 0.000 2.012 241 L HA -0.219 4.121 4.340 -0.001 0.000 0.210 241 L C 2.582 179.337 176.870 -0.192 0.000 1.073 241 L CA 1.542 56.371 54.840 -0.018 0.000 0.748 241 L CB -0.430 41.713 42.059 0.140 0.000 0.891 241 L HN 0.296 nan 8.230 nan 0.000 0.431 242 E N -0.075 120.017 120.200 -0.179 0.000 2.110 242 E HA -0.201 4.149 4.350 -0.001 0.000 0.193 242 E C 2.222 178.709 176.600 -0.189 0.000 0.988 242 E CA 1.255 57.460 56.400 -0.324 0.000 0.804 242 E CB 0.144 29.794 29.700 -0.084 0.000 0.745 242 E HN 0.260 nan 8.360 nan 0.000 0.458 243 V N 1.240 121.136 119.914 -0.030 0.000 2.295 243 V HA -0.280 3.840 4.120 -0.001 0.000 0.246 243 V C 2.410 178.554 176.094 0.084 0.000 1.049 243 V CA 1.576 63.925 62.300 0.082 0.000 1.024 243 V CB -0.406 31.570 31.823 0.255 0.000 0.648 243 V HN 0.350 nan 8.190 nan 0.000 0.447 244 L N -0.059 121.223 121.223 0.099 0.000 2.046 244 L HA -0.163 4.177 4.340 -0.001 0.000 0.208 244 L C 2.737 179.593 176.870 -0.022 0.000 1.077 244 L CA 1.656 56.548 54.840 0.087 0.000 0.747 244 L CB -0.881 41.234 42.059 0.092 0.000 0.896 244 L HN 0.363 nan 8.230 nan 0.000 0.432 245 A N -0.095 122.606 122.820 -0.198 0.000 1.902 245 A HA -0.223 4.097 4.320 -0.001 0.000 0.217 245 A C 1.896 179.408 177.584 -0.120 0.000 1.181 245 A CA 1.934 53.823 52.037 -0.247 0.000 0.623 245 A CB -0.548 18.012 19.000 -0.733 0.000 0.818 245 A HN 0.346 nan 8.150 nan 0.000 0.443 246 D N -0.308 120.024 120.400 -0.114 0.000 2.263 246 D HA -0.067 4.572 4.640 -0.001 0.000 0.208 246 D C 1.487 177.788 176.300 0.002 0.000 0.971 246 D CA 0.829 54.805 54.000 -0.039 0.000 0.867 246 D CB -0.135 40.650 40.800 -0.024 0.000 0.929 246 D HN 0.448 nan 8.370 nan 0.000 0.492 247 L N -0.944 120.290 121.223 0.018 0.000 2.607 247 L HA 0.208 4.547 4.340 -0.001 0.000 0.228 247 L C 1.272 178.172 176.870 0.050 0.000 1.123 247 L CA 0.157 55.023 54.840 0.043 0.000 0.890 247 L CB 0.248 42.349 42.059 0.070 0.000 1.103 247 L HN 0.073 nan 8.230 nan 0.000 0.468 248 G N 0.909 109.734 108.800 0.042 0.000 2.160 248 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.251 248 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.251 248 G C 0.216 175.159 174.900 0.073 0.000 1.008 248 G CA 0.097 45.228 45.100 0.052 0.000 0.724 248 G HN 0.237 nan 8.290 nan 0.000 0.514 249 L N -1.366 119.911 121.223 0.090 0.000 2.475 249 L HA 0.494 4.833 4.340 -0.001 0.000 0.253 249 L C 1.669 178.592 176.870 0.088 0.000 1.198 249 L CA -0.158 54.760 54.840 0.130 0.000 0.814 249 L CB 0.704 42.887 42.059 0.208 0.000 1.134 249 L HN 0.146 nan 8.230 nan 0.000 0.478 250 K N -1.176 119.280 120.400 0.093 0.000 2.425 250 K HA 0.225 4.544 4.320 -0.001 0.000 0.201 250 K C -0.402 176.060 176.600 -0.231 0.000 1.128 250 K CA -0.036 56.226 56.287 -0.041 0.000 1.000 250 K CB 0.600 33.086 32.500 -0.023 0.000 0.961 250 K HN 0.440 nan 8.250 nan 0.000 0.555 251 H N -0.302 118.739 119.070 -0.048 0.000 2.690 251 H HA 0.582 5.138 4.556 -0.001 0.000 0.368 251 H C -1.364 173.889 175.328 -0.125 0.000 1.150 251 H CA -0.724 55.258 56.048 -0.110 0.000 1.174 251 H CB 2.101 31.849 29.762 -0.024 0.000 1.684 251 H HN 0.135 nan 8.280 nan 0.000 0.538 252 A N 3.164 125.975 122.820 -0.015 0.000 2.356 252 A HA 0.508 4.828 4.320 -0.001 0.000 0.310 252 A C -0.745 176.805 177.584 -0.057 0.000 1.075 252 A CA -0.777 51.232 52.037 -0.046 0.000 0.746 252 A CB 0.926 19.912 19.000 -0.022 0.000 1.221 252 A HN 0.727 nan 8.150 nan 0.000 0.443 253 M N 3.458 123.017 119.600 -0.067 0.000 2.300 253 M HA 0.699 5.179 4.480 -0.001 0.000 0.348 253 M C -1.814 174.458 176.300 -0.048 0.000 1.151 253 M CA -0.372 54.911 55.300 -0.028 0.000 1.046 253 M CB 1.240 33.853 32.600 0.022 0.000 1.647 253 M HN 0.390 nan 8.290 nan 0.000 0.451 254 V N 3.594 123.466 119.914 -0.069 0.000 2.686 254 V HA 0.292 4.411 4.120 -0.001 0.000 0.306 254 V C -1.172 174.851 176.094 -0.118 0.000 1.065 254 V CA -0.903 61.338 62.300 -0.098 0.000 0.894 254 V CB 2.116 33.870 31.823 -0.115 0.000 1.004 254 V HN 0.772 nan 8.190 nan 0.000 0.424 255 D N 3.240 123.576 120.400 -0.107 0.000 2.416 255 D HA 0.130 4.770 4.640 -0.001 0.000 0.240 255 D C 1.231 177.439 176.300 -0.153 0.000 1.250 255 D CA 0.087 54.024 54.000 -0.104 0.000 0.967 255 D CB 1.449 42.196 40.800 -0.090 0.000 1.059 255 D HN 0.471 nan 8.370 nan 0.000 0.512 256 V N 0.778 120.536 119.914 -0.260 0.000 2.379 256 V HA -0.204 3.916 4.120 -0.001 0.000 0.245 256 V C 1.965 177.869 176.094 -0.316 0.000 1.044 256 V CA 0.855 62.925 62.300 -0.383 0.000 1.036 256 V CB -0.745 30.597 31.823 -0.802 0.000 0.664 256 V HN 0.289 nan 8.190 nan 0.000 0.453 257 V N 0.660 120.440 119.914 -0.223 0.000 2.295 257 V HA -0.223 3.896 4.120 -0.001 0.000 0.246 257 V C 2.553 178.607 176.094 -0.066 0.000 1.049 257 V CA 2.658 64.916 62.300 -0.069 0.000 1.024 257 V CB -0.605 31.272 31.823 0.091 0.000 0.648 257 V HN 0.464 nan 8.190 nan 0.000 0.447 258 I N -0.253 120.287 120.570 -0.049 0.000 2.202 258 I HA -0.225 3.944 4.170 -0.001 0.000 0.242 258 I C 2.596 178.679 176.117 -0.056 0.000 1.091 258 I CA 1.820 63.101 61.300 -0.032 0.000 1.368 258 I CB -0.679 37.305 38.000 -0.026 0.000 1.058 258 I HN 0.290 nan 8.210 nan 0.000 0.410 259 T N 0.313 114.817 114.554 -0.083 0.000 2.665 259 T HA -0.026 4.324 4.350 -0.001 0.000 0.268 259 T C 0.918 175.577 174.700 -0.069 0.000 1.035 259 T CA 1.390 63.449 62.100 -0.070 0.000 1.151 259 T CB -0.605 68.215 68.868 -0.080 0.000 0.862 259 T HN 0.703 nan 8.240 nan 0.000 0.438 260 G N -0.925 107.788 108.800 -0.146 0.000 2.663 260 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.686 260 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.686 260 G C 0.160 174.987 174.900 -0.122 0.000 1.288 260 G CA -0.246 44.742 45.100 -0.186 0.000 0.836 260 G HN 0.383 nan 8.290 nan 0.000 0.584 261 W N 0.545 121.906 121.300 0.102 0.000 2.425 261 W HA 0.171 4.830 4.660 -0.001 0.000 0.277 261 W C 2.539 179.109 176.519 0.085 0.000 1.231 261 W CA 1.037 58.441 57.345 0.099 0.000 1.248 261 W CB -0.068 29.429 29.460 0.061 0.000 1.117 261 W HN 0.917 nan 8.180 nan 0.000 0.568 262 G N 0.241 109.193 108.800 0.254 0.000 2.432 262 G HA2 -0.092 3.868 3.960 -0.001 0.000 0.219 262 G HA3 -0.092 3.868 3.960 -0.001 0.000 0.219 262 G C 1.470 176.451 174.900 0.136 0.000 1.135 262 G CA 1.140 46.341 45.100 0.167 0.000 0.767 262 G HN 0.287 nan 8.290 nan 0.000 0.550 263 A N -0.830 122.067 122.820 0.129 0.000 2.431 263 A HA 0.533 4.852 4.320 -0.001 0.000 0.239 263 A C 1.832 179.521 177.584 0.175 0.000 1.230 263 A CA -0.047 52.075 52.037 0.142 0.000 0.928 263 A CB 0.096 19.163 19.000 0.110 0.000 1.006 263 A HN 0.239 nan 8.150 nan 0.000 0.520 264 L N 0.223 121.545 121.223 0.165 0.000 2.056 264 L HA 0.030 4.370 4.340 -0.001 0.000 0.207 264 L C 2.296 179.265 176.870 0.164 0.000 1.078 264 L CA 2.055 56.984 54.840 0.147 0.000 0.749 264 L CB -0.627 41.536 42.059 0.172 0.000 0.901 264 L HN 0.498 nan 8.230 nan 0.000 0.433 265 R N -2.104 118.518 120.500 0.203 0.000 2.096 265 R HA -0.249 4.090 4.340 -0.001 0.000 0.235 265 R C 2.389 178.776 176.300 0.146 0.000 1.127 265 R CA 1.702 57.908 56.100 0.177 0.000 0.968 265 R CB -0.509 29.896 30.300 0.175 0.000 0.861 265 R HN 0.455 nan 8.270 nan 0.000 0.440 266 Y N 0.686 121.015 120.300 0.048 0.000 2.200 266 Y HA -0.180 4.369 4.550 -0.001 0.000 0.290 266 Y C 1.811 177.718 175.900 0.012 0.000 1.137 266 Y CA 1.386 59.498 58.100 0.021 0.000 1.163 266 Y CB -0.074 38.396 38.460 0.017 0.000 0.988 266 Y HN 0.004 nan 8.280 nan 0.000 0.518 267 I N 0.818 121.363 120.570 -0.042 0.000 2.226 267 I HA -0.283 3.887 4.170 -0.001 0.000 0.245 267 I C 2.628 178.668 176.117 -0.128 0.000 1.100 267 I CA 1.530 62.752 61.300 -0.129 0.000 1.374 267 I CB -1.218 36.779 38.000 -0.004 0.000 1.057 267 I HN 0.305 nan 8.210 nan 0.000 0.413 268 R N 1.394 121.866 120.500 -0.047 0.000 2.081 268 R HA -0.184 4.155 4.340 -0.001 0.000 0.235 268 R C 1.638 177.904 176.300 -0.057 0.000 1.131 268 R CA 1.819 57.907 56.100 -0.020 0.000 0.960 268 R CB -0.488 29.838 30.300 0.044 0.000 0.856 268 R HN 0.303 nan 8.270 nan 0.000 0.436 269 D N 0.859 121.206 120.400 -0.088 0.000 2.144 269 D HA -0.154 4.485 4.640 -0.001 0.000 0.199 269 D C 1.897 178.064 176.300 -0.221 0.000 0.984 269 D CA 0.742 54.672 54.000 -0.117 0.000 0.834 269 D CB -0.237 40.511 40.800 -0.087 0.000 0.955 269 D HN 0.139 nan 8.370 nan 0.000 0.465 270 L N 0.989 121.993 121.223 -0.365 0.000 2.017 270 L HA -0.066 4.273 4.340 -0.001 0.000 0.208 270 L C 2.164 178.836 176.870 -0.330 0.000 1.073 270 L CA 1.676 56.237 54.840 -0.465 0.000 0.745 270 L CB -0.904 40.807 42.059 -0.581 0.000 0.894 270 L HN -0.027 nan 8.230 nan 0.000 0.432 271 A N -0.662 122.080 122.820 -0.130 0.000 1.902 271 A HA -0.147 4.173 4.320 -0.001 0.000 0.217 271 A C 2.447 180.058 177.584 0.045 0.000 1.181 271 A CA 1.943 53.998 52.037 0.030 0.000 0.623 271 A CB -1.180 17.834 19.000 0.023 0.000 0.818 271 A HN 0.548 nan 8.150 nan 0.000 0.443 272 A N -0.011 122.806 122.820 -0.005 0.000 1.902 272 A HA -0.203 4.116 4.320 -0.001 0.000 0.217 272 A C 1.757 179.327 177.584 -0.024 0.000 1.181 272 A CA 1.931 53.978 52.037 0.018 0.000 0.623 272 A CB -0.646 18.346 19.000 -0.014 0.000 0.818 272 A HN 0.461 nan 8.150 nan 0.000 0.443 273 D N -1.302 119.020 120.400 -0.129 0.000 2.149 273 D HA -0.148 4.492 4.640 -0.001 0.000 0.198 273 D C 1.260 177.506 176.300 -0.090 0.000 0.990 273 D CA 1.277 55.171 54.000 -0.177 0.000 0.839 273 D CB -0.320 40.273 40.800 -0.345 0.000 0.948 273 D HN 0.585 nan 8.370 nan 0.000 0.460 274 Y N -0.167 120.138 120.300 0.008 0.000 2.546 274 Y HA 0.258 4.808 4.550 -0.000 0.000 0.287 274 Y C 1.786 177.719 175.900 0.055 0.000 1.158 274 Y CA 0.236 58.351 58.100 0.024 0.000 1.307 274 Y CB -0.086 38.383 38.460 0.015 0.000 1.036 274 Y HN 0.001 nan 8.280 nan 0.000 0.532 275 G N 0.821 109.749 108.800 0.214 0.000 2.225 275 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.264 275 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.264 275 G C -0.332 174.753 174.900 0.308 0.000 1.060 275 G CA 0.056 45.309 45.100 0.254 0.000 0.833 275 G HN 0.273 nan 8.290 nan 0.000 0.498 276 L N 0.083 121.442 121.223 0.227 0.000 2.317 276 L HA 0.775 5.114 4.340 -0.001 0.000 0.281 276 L C 0.885 177.701 176.870 -0.090 0.000 1.024 276 L CA -0.614 54.236 54.840 0.017 0.000 0.810 276 L CB 1.818 43.898 42.059 0.034 0.000 1.240 276 L HN 0.312 nan 8.230 nan 0.000 0.427 277 A N 4.368 126.802 122.820 -0.643 0.000 2.371 277 A HA 0.657 4.977 4.320 -0.001 0.000 0.257 277 A C -0.307 177.103 177.584 -0.290 0.000 1.089 277 A CA -0.272 51.358 52.037 -0.677 0.000 0.794 277 A CB 0.128 18.363 19.000 -1.275 0.000 1.029 277 A HN 0.656 nan 8.150 nan 0.000 0.488 278 I N 1.646 122.141 120.570 -0.125 0.000 2.339 278 I HA 0.211 4.381 4.170 -0.001 0.000 0.290 278 I C -0.232 175.818 176.117 -0.111 0.000 0.994 278 I CA -0.342 60.908 61.300 -0.085 0.000 1.191 278 I CB 1.343 39.309 38.000 -0.057 0.000 1.343 278 I HN 0.794 nan 8.210 nan 0.000 0.458 279 H N 4.924 123.835 119.070 -0.266 0.000 2.594 279 H HA 0.532 5.088 4.556 -0.001 0.000 0.304 279 H C 0.080 175.276 175.328 -0.220 0.000 1.068 279 H CA -0.362 55.464 56.048 -0.371 0.000 1.308 279 H CB 1.225 30.538 29.762 -0.748 0.000 1.409 279 H HN 0.700 nan 8.280 nan 0.000 0.460 280 G N 4.514 112.964 108.800 -0.582 0.000 2.319 280 G HA2 0.138 4.098 3.960 -0.001 0.000 0.308 280 G HA3 0.138 4.098 3.960 -0.001 0.000 0.308 280 G C -1.033 173.576 174.900 -0.486 0.000 1.117 280 G CA -0.418 44.405 45.100 -0.463 0.000 0.903 280 G HN 0.749 nan 8.290 nan 0.000 0.436 281 H N 2.660 121.467 119.070 -0.439 0.000 2.467 281 H HA 0.233 4.789 4.556 -0.001 0.000 0.326 281 H C 0.941 176.033 175.328 -0.393 0.000 1.094 281 H CA -0.630 55.125 56.048 -0.488 0.000 1.253 281 H CB 1.363 30.924 29.762 -0.335 0.000 1.439 281 H HN 0.664 nan 8.280 nan 0.000 0.479 282 R N 3.166 123.330 120.500 -0.560 0.000 2.426 282 R HA 0.381 4.720 4.340 -0.001 0.000 0.263 282 R C 0.315 176.605 176.300 -0.017 0.000 0.961 282 R CA -0.301 55.625 56.100 -0.291 0.000 1.086 282 R CB 0.096 30.143 30.300 -0.421 0.000 1.186 282 R HN 0.357 nan 8.270 nan 0.000 0.537 283 A N 1.709 124.625 122.820 0.161 0.000 2.598 283 A HA 0.059 4.379 4.320 -0.001 0.000 0.239 283 A C 0.933 178.565 177.584 0.080 0.000 1.032 283 A CA 1.113 53.264 52.037 0.190 0.000 0.760 283 A CB -0.179 18.937 19.000 0.193 0.000 0.946 283 A HN 0.842 nan 8.150 nan 0.000 0.512 284 M N 0.372 119.982 119.600 0.016 0.000 3.026 284 M HA -0.297 4.183 4.480 -0.001 0.000 0.215 284 M C 1.063 177.246 176.300 -0.196 0.000 0.574 284 M CA 1.968 57.246 55.300 -0.038 0.000 0.824 284 M CB -2.039 30.588 32.600 0.046 0.000 2.936 284 M HN 1.285 nan 8.290 nan 0.000 0.296 285 H N -0.019 118.883 119.070 -0.279 0.000 2.353 285 H HA 0.161 4.717 4.556 -0.001 0.000 0.298 285 H C 1.699 176.553 175.328 -0.790 0.000 1.103 285 H CA 2.334 57.990 56.048 -0.654 0.000 1.293 285 H CB -0.726 28.814 29.762 -0.371 0.000 1.372 285 H HN 0.525 nan 8.280 nan 0.000 0.501 286 A N 1.131 123.143 122.820 -1.346 0.000 2.178 286 A HA 0.091 4.410 4.320 -0.001 0.000 0.218 286 A C 2.586 179.897 177.584 -0.454 0.000 1.157 286 A CA 1.083 52.588 52.037 -0.888 0.000 0.689 286 A CB -1.143 17.426 19.000 -0.719 0.000 0.787 286 A HN 0.753 nan 8.150 nan 0.000 0.465 287 A N -0.459 122.128 122.820 -0.390 0.000 2.019 287 A HA 0.070 4.389 4.320 -0.001 0.000 0.219 287 A C 1.607 179.182 177.584 -0.015 0.000 1.164 287 A CA 1.606 53.564 52.037 -0.132 0.000 0.644 287 A CB -0.602 18.397 19.000 -0.003 0.000 0.805 287 A HN 1.151 nan 8.150 nan 0.000 0.449 288 F N -3.088 116.832 119.950 -0.050 0.000 2.831 288 F HA 0.226 4.753 4.527 -0.001 0.000 0.334 288 F C 1.484 177.265 175.800 -0.032 0.000 1.071 288 F CA 0.611 58.579 58.000 -0.053 0.000 1.172 288 F CB -0.421 38.523 39.000 -0.093 0.000 1.054 288 F HN 0.031 nan 8.300 nan 0.000 0.572 289 T N -2.630 111.781 114.554 -0.239 0.000 3.069 289 T HA 0.202 4.551 4.350 -0.001 0.000 0.252 289 T C 1.710 176.396 174.700 -0.023 0.000 1.053 289 T CA 0.328 62.401 62.100 -0.044 0.000 0.964 289 T CB -0.063 68.809 68.868 0.008 0.000 1.005 289 T HN 0.373 nan 8.240 nan 0.000 0.532 290 R N 1.433 121.894 120.500 -0.066 0.000 2.080 290 R HA 0.150 4.489 4.340 -0.001 0.000 0.222 290 R C 0.715 177.018 176.300 0.006 0.000 1.107 290 R CA 0.310 56.386 56.100 -0.039 0.000 0.980 290 R CB -0.121 30.137 30.300 -0.070 0.000 0.879 290 R HN 0.244 nan 8.270 nan 0.000 0.439 291 N N 1.352 120.079 118.700 0.045 0.000 2.431 291 N HA 0.019 4.759 4.740 -0.001 0.000 0.265 291 N C -2.075 173.477 175.510 0.069 0.000 1.184 291 N CA -1.638 51.469 53.050 0.096 0.000 0.943 291 N CB 1.587 40.176 38.487 0.169 0.000 1.080 291 N HN 0.032 nan 8.380 nan 0.000 0.477 292 P HA -0.026 nan 4.420 nan 0.000 0.230 292 P C -0.073 177.071 177.300 -0.260 0.000 1.158 292 P CA 1.125 64.106 63.100 -0.198 0.000 0.769 292 P CB 0.048 31.538 31.700 -0.350 0.000 0.807 293 Y N -3.086 117.295 120.300 0.135 0.000 2.481 293 Y HA 0.310 4.860 4.550 -0.001 0.000 0.247 293 Y C 0.548 176.615 175.900 0.278 0.000 1.151 293 Y CA -0.173 58.037 58.100 0.184 0.000 1.238 293 Y CB 0.215 38.769 38.460 0.156 0.000 1.179 293 Y HN -0.026 nan 8.280 nan 0.000 0.524 294 H N -0.923 118.292 119.070 0.242 0.000 3.129 294 H HA 0.554 5.110 4.556 -0.001 0.000 0.342 294 H C 0.062 175.480 175.328 0.150 0.000 1.092 294 H CA -0.191 55.993 56.048 0.227 0.000 1.310 294 H CB 1.106 30.988 29.762 0.200 0.000 1.932 294 H HN 0.242 nan 8.280 nan 0.000 0.507 295 G N 2.549 111.111 108.800 -0.396 0.000 2.341 295 G HA2 -0.058 3.901 3.960 -0.001 0.000 0.196 295 G HA3 -0.058 3.901 3.960 -0.001 0.000 0.196 295 G C -1.390 173.426 174.900 -0.139 0.000 1.231 295 G CA -0.341 44.513 45.100 -0.411 0.000 1.155 295 G HN 0.649 nan 8.290 nan 0.000 0.529 296 I N 1.174 121.780 120.570 0.060 0.000 2.436 296 I HA 0.518 4.688 4.170 -0.001 0.000 0.289 296 I C 0.694 176.948 176.117 0.228 0.000 1.010 296 I CA -0.649 60.763 61.300 0.187 0.000 1.098 296 I CB 1.965 40.083 38.000 0.196 0.000 1.266 296 I HN 0.617 nan 8.210 nan 0.000 0.434 297 S N 4.396 120.195 115.700 0.166 0.000 2.572 297 S HA 0.080 4.549 4.470 -0.001 0.000 0.279 297 S C 1.004 175.704 174.600 0.167 0.000 1.341 297 S CA -0.413 57.873 58.200 0.142 0.000 1.043 297 S CB 0.727 64.007 63.200 0.132 0.000 0.887 297 S HN 0.642 nan 8.310 nan 0.000 0.516 298 M N 4.896 124.575 119.600 0.132 0.000 2.358 298 M HA 0.042 4.522 4.480 -0.001 0.000 0.264 298 M C 1.198 177.539 176.300 0.068 0.000 1.064 298 M CA 1.497 56.850 55.300 0.089 0.000 1.093 298 M CB -0.855 31.759 32.600 0.024 0.000 1.401 298 M HN 0.835 nan 8.290 nan 0.000 0.440 299 F N -0.598 119.323 119.950 -0.048 0.000 2.095 299 F HA -0.217 4.310 4.527 -0.001 0.000 0.298 299 F C 1.902 177.628 175.800 -0.123 0.000 1.104 299 F CA 1.890 59.817 58.000 -0.122 0.000 1.232 299 F CB -0.491 38.425 39.000 -0.140 0.000 0.987 299 F HN -0.027 nan 8.300 nan 0.000 0.475 300 V N -0.020 119.946 119.914 0.086 0.000 2.295 300 V HA -0.309 3.811 4.120 -0.001 0.000 0.246 300 V C 2.369 178.377 176.094 -0.143 0.000 1.049 300 V CA 1.680 63.944 62.300 -0.059 0.000 1.024 300 V CB -0.770 31.047 31.823 -0.011 0.000 0.648 300 V HN 0.266 nan 8.190 nan 0.000 0.447 301 L N 0.398 121.603 121.223 -0.029 0.000 2.013 301 L HA -0.193 4.147 4.340 -0.001 0.000 0.212 301 L C 2.606 179.411 176.870 -0.107 0.000 1.073 301 L CA 2.388 57.200 54.840 -0.047 0.000 0.753 301 L CB -1.302 40.864 42.059 0.177 0.000 0.890 301 L HN 0.310 nan 8.230 nan 0.000 0.432 302 A N -0.780 121.977 122.820 -0.105 0.000 1.865 302 A HA -0.301 4.019 4.320 -0.001 0.000 0.217 302 A C 2.446 179.900 177.584 -0.216 0.000 1.191 302 A CA 2.186 54.139 52.037 -0.141 0.000 0.623 302 A CB -0.599 18.241 19.000 -0.267 0.000 0.826 302 A HN 0.420 nan 8.150 nan 0.000 0.444 303 K N -0.297 119.893 120.400 -0.350 0.000 2.032 303 K HA -0.109 4.210 4.320 -0.001 0.000 0.209 303 K C 1.953 178.400 176.600 -0.255 0.000 1.048 303 K CA 1.581 57.690 56.287 -0.297 0.000 0.927 303 K CB -0.350 31.933 32.500 -0.361 0.000 0.712 303 K HN 0.484 nan 8.250 nan 0.000 0.441 304 L N -0.025 121.012 121.223 -0.310 0.000 2.046 304 L HA -0.199 4.141 4.340 -0.001 0.000 0.208 304 L C 2.443 179.230 176.870 -0.138 0.000 1.077 304 L CA 1.248 55.900 54.840 -0.315 0.000 0.747 304 L CB -0.604 41.241 42.059 -0.356 0.000 0.896 304 L HN 0.218 nan 8.230 nan 0.000 0.432 305 Y N -0.207 120.116 120.300 0.037 0.000 2.242 305 Y HA -0.179 4.370 4.550 -0.001 0.000 0.291 305 Y C 2.783 178.654 175.900 -0.049 0.000 1.137 305 Y CA 0.960 59.073 58.100 0.021 0.000 1.181 305 Y CB -0.626 37.815 38.460 -0.031 0.000 0.989 305 Y HN 0.100 nan 8.280 nan 0.000 0.527 306 R N 0.486 121.004 120.500 0.031 0.000 2.070 306 R HA -0.167 4.172 4.340 -0.001 0.000 0.233 306 R C 2.061 178.335 176.300 -0.044 0.000 1.137 306 R CA 1.641 57.711 56.100 -0.050 0.000 0.945 306 R CB -0.608 29.593 30.300 -0.165 0.000 0.845 306 R HN 0.332 nan 8.270 nan 0.000 0.430 307 L N 0.582 121.727 121.223 -0.129 0.000 2.012 307 L HA -0.234 4.106 4.340 -0.001 0.000 0.210 307 L C 2.578 179.423 176.870 -0.042 0.000 1.073 307 L CA 1.494 56.184 54.840 -0.250 0.000 0.748 307 L CB -0.451 41.075 42.059 -0.888 0.000 0.891 307 L HN 0.300 nan 8.230 nan 0.000 0.431 308 I N -0.535 120.059 120.570 0.041 0.000 2.208 308 I HA -0.235 3.934 4.170 -0.001 0.000 0.245 308 I C 1.472 177.702 176.117 0.188 0.000 1.097 308 I CA 1.558 63.016 61.300 0.262 0.000 1.363 308 I CB -0.403 37.781 38.000 0.308 0.000 1.051 308 I HN 0.541 nan 8.210 nan 0.000 0.413 309 G N 0.306 109.179 108.800 0.121 0.000 2.161 309 G HA2 -0.084 3.875 3.960 -0.001 0.000 0.140 309 G HA3 -0.084 3.875 3.960 -0.001 0.000 0.140 309 G C -0.016 174.919 174.900 0.058 0.000 1.040 309 G CA -0.767 44.383 45.100 0.085 0.000 0.735 309 G HN 0.036 nan 8.290 nan 0.000 0.496 310 I N 1.863 122.460 120.570 0.044 0.000 2.598 310 I HA 0.177 4.346 4.170 -0.001 0.000 0.284 310 I C 0.913 177.019 176.117 -0.018 0.000 1.140 310 I CA -0.257 61.032 61.300 -0.018 0.000 1.420 310 I CB 0.670 38.627 38.000 -0.071 0.000 1.387 310 I HN 0.101 nan 8.210 nan 0.000 0.553 311 D N 4.843 125.235 120.400 -0.014 0.000 2.249 311 D HA -0.026 4.614 4.640 -0.001 0.000 0.205 311 D C 0.278 176.596 176.300 0.031 0.000 0.962 311 D CA 1.011 55.029 54.000 0.030 0.000 0.860 311 D CB 0.590 41.426 40.800 0.060 0.000 0.955 311 D HN 0.613 nan 8.370 nan 0.000 0.505 312 Q N 0.188 119.955 119.800 -0.055 0.000 2.289 312 Q HA 0.598 4.937 4.340 -0.001 0.000 0.270 312 Q C -1.446 174.398 176.000 -0.261 0.000 1.038 312 Q CA -0.603 55.153 55.803 -0.079 0.000 0.812 312 Q CB 3.155 31.860 28.738 -0.056 0.000 1.300 312 Q HN -0.063 nan 8.270 nan 0.000 0.427 313 L N 0.970 122.075 121.223 -0.196 0.000 2.445 313 L HA 0.424 4.763 4.340 -0.001 0.000 0.262 313 L C -1.268 175.518 176.870 -0.140 0.000 0.974 313 L CA -0.286 54.427 54.840 -0.212 0.000 0.822 313 L CB 1.964 43.929 42.059 -0.156 0.000 1.339 313 L HN 0.682 nan 8.230 nan 0.000 0.409 314 H N 3.637 122.518 119.070 -0.315 0.000 2.764 314 H HA 0.306 4.862 4.556 -0.001 0.000 0.341 314 H C 0.450 175.643 175.328 -0.226 0.000 1.072 314 H CA 0.451 56.353 56.048 -0.243 0.000 1.444 314 H CB 1.748 31.320 29.762 -0.317 0.000 1.458 314 H HN 0.624 nan 8.280 nan 0.000 0.572 315 V N 0.023 119.890 119.914 -0.077 0.000 3.485 315 V HA 0.480 4.599 4.120 -0.001 0.000 0.280 315 V C 0.820 176.877 176.094 -0.063 0.000 1.495 315 V CA 0.479 62.728 62.300 -0.086 0.000 1.018 315 V CB 0.594 32.377 31.823 -0.067 0.000 0.818 315 V HN 1.043 nan 8.190 nan 0.000 0.436 316 G N 1.112 109.886 108.800 -0.043 0.000 2.371 316 G HA2 0.164 4.123 3.960 -0.001 0.000 0.663 316 G HA3 0.164 4.123 3.960 -0.001 0.000 0.663 316 G C 0.092 174.983 174.900 -0.015 0.000 1.311 316 G CA 0.349 45.440 45.100 -0.016 0.000 0.985 316 G HN 1.170 nan 8.290 nan 0.000 0.566 317 T N -2.519 112.031 114.554 -0.006 0.000 3.132 317 T HA 0.633 4.983 4.350 -0.001 0.000 0.274 317 T C 1.434 176.126 174.700 -0.013 0.000 1.011 317 T CA 1.553 63.644 62.100 -0.015 0.000 0.899 317 T CB 0.384 69.242 68.868 -0.017 0.000 1.089 317 T HN 2.655 nan 8.240 nan 0.000 0.543 318 A N 0.346 123.163 122.820 -0.005 0.000 2.745 318 A HA 0.143 4.462 4.320 -0.001 0.000 0.296 318 A C 1.841 179.424 177.584 -0.003 0.000 1.500 318 A CA 1.145 53.181 52.037 -0.002 0.000 0.766 318 A CB -2.147 16.851 19.000 -0.003 0.000 1.030 318 A HN 2.191 nan 8.150 nan 0.000 0.489 319 G N -2.910 105.890 108.800 -0.000 0.000 2.234 319 G HA2 0.084 4.044 3.960 -0.001 0.000 0.235 319 G HA3 0.084 4.044 3.960 -0.001 0.000 0.235 319 G C 1.410 176.309 174.900 -0.000 0.000 0.997 319 G CA 1.203 46.304 45.100 0.002 0.000 0.623 319 G HN 2.256 nan 8.290 nan 0.000 0.514 320 A N 0.357 123.170 122.820 -0.012 0.000 2.016 320 A HA 0.613 4.932 4.320 -0.001 0.000 0.217 320 A C 1.820 179.391 177.584 -0.021 0.000 1.162 320 A CA 2.147 54.170 52.037 -0.023 0.000 0.662 320 A CB -0.346 18.623 19.000 -0.051 0.000 0.812 320 A HN 1.759 nan 8.150 nan 0.000 0.450 321 G N -0.811 107.980 108.800 -0.014 0.000 2.671 321 G HA2 0.404 4.364 3.960 -0.001 0.000 0.275 321 G HA3 0.404 4.364 3.960 -0.001 0.000 0.275 321 G C 0.637 175.543 174.900 0.010 0.000 1.368 321 G CA 0.141 45.236 45.100 -0.008 0.000 1.044 321 G HN 0.332 nan 8.290 nan 0.000 0.543 322 K N -1.285 119.124 120.400 0.015 0.000 2.418 322 K HA 0.196 4.516 4.320 -0.001 0.000 0.195 322 K C 0.196 176.810 176.600 0.023 0.000 1.035 322 K CA 0.296 56.595 56.287 0.021 0.000 1.003 322 K CB -0.151 32.363 32.500 0.022 0.000 0.793 322 K HN 0.222 nan 8.250 nan 0.000 0.494 323 L N 2.245 123.483 121.223 0.026 0.000 2.317 323 L HA 0.286 4.625 4.340 -0.001 0.000 0.281 323 L C 0.278 177.164 176.870 0.026 0.000 1.024 323 L CA -1.094 53.763 54.840 0.029 0.000 0.810 323 L CB 1.597 43.684 42.059 0.046 0.000 1.240 323 L HN 0.127 nan 8.230 nan 0.000 0.427 324 E N 2.088 122.299 120.200 0.019 0.000 2.481 324 E HA 0.190 4.540 4.350 -0.001 0.000 0.263 324 E C -0.041 176.574 176.600 0.026 0.000 0.992 324 E CA 0.707 57.117 56.400 0.016 0.000 0.938 324 E CB 0.930 30.633 29.700 0.005 0.000 0.933 324 E HN 0.804 nan 8.360 nan 0.000 0.453 325 G N 4.303 113.114 108.800 0.018 0.000 2.194 325 G HA2 -0.031 3.928 3.960 -0.001 0.000 0.178 325 G HA3 -0.031 3.928 3.960 -0.001 0.000 0.178 325 G C -0.513 174.392 174.900 0.009 0.000 2.173 325 G CA -0.627 44.482 45.100 0.016 0.000 1.042 325 G HN 0.469 nan 8.290 nan 0.000 0.588 326 E N 0.829 121.032 120.200 0.004 0.000 2.416 326 E HA 0.215 4.564 4.350 -0.001 0.000 0.254 326 E C 1.522 178.125 176.600 0.006 0.000 1.241 326 E CA -0.565 55.837 56.400 0.004 0.000 0.969 326 E CB 1.430 31.131 29.700 0.000 0.000 0.999 326 E HN 0.473 nan 8.360 nan 0.000 0.481 327 R N 0.841 121.346 120.500 0.008 0.000 2.083 327 R HA -0.192 4.148 4.340 -0.001 0.000 0.237 327 R C 1.692 178.004 176.300 0.019 0.000 1.137 327 R CA 2.392 58.499 56.100 0.011 0.000 0.951 327 R CB -0.173 30.133 30.300 0.010 0.000 0.851 327 R HN 0.601 nan 8.270 nan 0.000 0.434 328 D N 0.319 120.732 120.400 0.022 0.000 2.144 328 D HA -0.178 4.461 4.640 -0.001 0.000 0.200 328 D C 1.876 178.203 176.300 0.045 0.000 0.978 328 D CA 0.986 55.007 54.000 0.036 0.000 0.833 328 D CB -0.356 40.465 40.800 0.035 0.000 0.961 328 D HN 0.232 nan 8.370 nan 0.000 0.470 329 I N 1.214 121.797 120.570 0.022 0.000 2.226 329 I HA -0.174 3.996 4.170 -0.001 0.000 0.245 329 I C 2.125 178.269 176.117 0.044 0.000 1.100 329 I CA 1.207 62.523 61.300 0.026 0.000 1.374 329 I CB -1.440 36.558 38.000 -0.005 0.000 1.057 329 I HN 0.092 nan 8.210 nan 0.000 0.413 330 T N 1.446 116.017 114.554 0.028 0.000 2.788 330 T HA -0.069 4.281 4.350 -0.001 0.000 0.268 330 T C 2.090 176.808 174.700 0.031 0.000 1.044 330 T CA 1.086 63.198 62.100 0.019 0.000 1.139 330 T CB -0.212 68.661 68.868 0.007 0.000 0.867 330 T HN 0.226 nan 8.240 nan 0.000 0.454 331 I N 0.913 121.511 120.570 0.046 0.000 2.226 331 I HA -0.181 3.989 4.170 -0.001 0.000 0.245 331 I C 2.870 179.046 176.117 0.099 0.000 1.100 331 I CA 1.027 62.364 61.300 0.060 0.000 1.374 331 I CB -0.301 37.736 38.000 0.061 0.000 1.057 331 I HN 0.194 nan 8.210 nan 0.000 0.413 332 Q N 0.608 120.487 119.800 0.132 0.000 2.020 332 Q HA -0.175 4.164 4.340 -0.001 0.000 0.202 332 Q C 2.004 178.102 176.000 0.163 0.000 0.982 332 Q CA 1.369 57.299 55.803 0.211 0.000 0.838 332 Q CB -0.682 28.162 28.738 0.177 0.000 0.899 332 Q HN 0.534 nan 8.270 nan 0.000 0.423 333 N N 1.212 119.965 118.700 0.089 0.000 2.060 333 N HA -0.183 4.557 4.740 -0.001 0.000 0.195 333 N C 1.726 177.179 175.510 -0.095 0.000 1.028 333 N CA 1.758 54.779 53.050 -0.049 0.000 0.861 333 N CB -0.497 37.968 38.487 -0.037 0.000 1.029 333 N HN 0.301 nan 8.380 nan 0.000 0.428 334 A N 1.383 124.185 122.820 -0.031 0.000 1.902 334 A HA -0.090 4.230 4.320 -0.001 0.000 0.217 334 A C 2.286 179.849 177.584 -0.034 0.000 1.181 334 A CA 1.114 53.132 52.037 -0.032 0.000 0.623 334 A CB -0.367 18.634 19.000 0.002 0.000 0.818 334 A HN 0.235 nan 8.150 nan 0.000 0.443 335 R N -1.200 119.319 120.500 0.032 0.000 2.073 335 R HA -0.105 4.235 4.340 -0.001 0.000 0.234 335 R C 1.947 178.262 176.300 0.025 0.000 1.134 335 R CA 1.509 57.674 56.100 0.108 0.000 0.952 335 R CB -0.531 29.956 30.300 0.312 0.000 0.850 335 R HN 0.485 nan 8.270 nan 0.000 0.433 336 I N 1.121 121.595 120.570 -0.160 0.000 2.454 336 I HA -0.177 3.992 4.170 -0.001 0.000 0.254 336 I C 1.812 177.655 176.117 -0.457 0.000 1.156 336 I CA 1.206 62.249 61.300 -0.428 0.000 1.433 336 I CB -0.063 37.316 38.000 -1.035 0.000 1.082 336 I HN 0.134 nan 8.210 nan 0.000 0.432 337 L N -0.816 120.203 121.223 -0.339 0.000 2.179 337 L HA -0.072 4.268 4.340 -0.001 0.000 0.208 337 L C 2.412 179.092 176.870 -0.318 0.000 1.096 337 L CA 0.900 55.551 54.840 -0.315 0.000 0.779 337 L CB -0.346 41.597 42.059 -0.193 0.000 0.922 337 L HN 0.129 nan 8.230 nan 0.000 0.443 338 R N -0.718 119.637 120.500 -0.243 0.000 2.221 338 R HA 0.123 4.462 4.340 -0.001 0.000 0.195 338 R C 0.197 176.386 176.300 -0.184 0.000 0.956 338 R CA -0.040 55.942 56.100 -0.197 0.000 1.064 338 R CB 0.409 30.636 30.300 -0.121 0.000 1.049 338 R HN 0.302 nan 8.270 nan 0.000 0.534 339 E N 1.067 121.181 120.200 -0.144 0.000 2.313 339 E HA 0.009 4.359 4.350 -0.001 0.000 0.276 339 E C 0.562 177.146 176.600 -0.027 0.000 1.031 339 E CA -0.037 56.349 56.400 -0.022 0.000 0.857 339 E CB 1.490 31.273 29.700 0.139 0.000 1.040 339 E HN 0.115 nan 8.360 nan 0.000 0.408 340 S N 2.252 117.985 115.700 0.056 0.000 2.436 340 S HA -0.146 4.324 4.470 -0.001 0.000 0.228 340 S C 0.641 175.402 174.600 0.268 0.000 1.014 340 S CA 0.640 58.914 58.200 0.123 0.000 0.950 340 S CB -0.040 63.201 63.200 0.069 0.000 0.784 340 S HN 0.679 nan 8.310 nan 0.000 0.504 341 H N -0.375 118.788 119.070 0.154 0.000 2.974 341 H HA 0.356 4.912 4.556 -0.001 0.000 0.285 341 H C -1.644 173.796 175.328 0.185 0.000 1.227 341 H CA -1.080 55.052 56.048 0.140 0.000 1.569 341 H CB 0.412 30.187 29.762 0.022 0.000 1.648 341 H HN 0.368 nan 8.280 nan 0.000 0.521 342 Y N 4.815 125.358 120.300 0.405 0.000 2.359 342 Y HA 0.276 4.826 4.550 -0.001 0.000 0.334 342 Y C -0.843 175.241 175.900 0.306 0.000 1.058 342 Y CA -0.102 58.188 58.100 0.317 0.000 1.244 342 Y CB 0.453 39.121 38.460 0.347 0.000 1.187 342 Y HN 0.447 nan 8.280 nan 0.000 0.510 343 K N 8.847 129.012 120.400 -0.392 0.000 2.463 343 K HA 0.333 4.653 4.320 -0.001 0.000 0.255 343 K C -2.759 173.516 176.600 -0.541 0.000 0.942 343 K CA -2.061 54.054 56.287 -0.287 0.000 0.814 343 K CB 1.644 34.048 32.500 -0.160 0.000 1.122 343 K HN 0.477 nan 8.250 nan 0.000 0.425 344 P HA -0.006 nan 4.420 nan 0.000 0.268 344 P C -0.629 176.614 177.300 -0.096 0.000 1.205 344 P CA -0.132 62.893 63.100 -0.126 0.000 0.771 344 P CB 0.599 32.365 31.700 0.111 0.000 0.858 345 D N 1.349 121.715 120.400 -0.056 0.000 2.364 345 D HA 0.026 4.665 4.640 -0.001 0.000 0.236 345 D C 1.847 178.128 176.300 -0.031 0.000 1.221 345 D CA 0.291 54.268 54.000 -0.039 0.000 0.891 345 D CB 0.205 41.000 40.800 -0.008 0.000 1.190 345 D HN 0.524 nan 8.370 nan 0.000 0.449 346 E N 1.164 121.345 120.200 -0.032 0.000 2.110 346 E HA -0.221 4.129 4.350 -0.001 0.000 0.193 346 E C 1.198 177.773 176.600 -0.041 0.000 0.988 346 E CA 1.526 57.906 56.400 -0.033 0.000 0.804 346 E CB -0.838 28.847 29.700 -0.026 0.000 0.745 346 E HN 0.580 nan 8.360 nan 0.000 0.458 347 N N 0.453 119.133 118.700 -0.034 0.000 2.398 347 N HA -0.029 4.711 4.740 -0.001 0.000 0.188 347 N C -0.035 175.426 175.510 -0.082 0.000 1.122 347 N CA 0.611 53.634 53.050 -0.045 0.000 0.866 347 N CB 0.017 38.494 38.487 -0.017 0.000 0.970 347 N HN 0.304 nan 8.380 nan 0.000 0.462 348 D N 1.704 122.064 120.400 -0.066 0.000 2.359 348 D HA 0.008 4.647 4.640 -0.001 0.000 0.250 348 D C 1.183 177.342 176.300 -0.235 0.000 1.264 348 D CA -0.283 53.672 54.000 -0.075 0.000 0.911 348 D CB 0.968 41.790 40.800 0.037 0.000 1.056 348 D HN 0.058 nan 8.370 nan 0.000 0.499 349 V N 1.827 121.446 119.914 -0.491 0.000 3.646 349 V HA 0.136 4.255 4.120 -0.001 0.000 0.277 349 V C 0.979 176.624 176.094 -0.748 0.000 1.274 349 V CA 0.389 62.262 62.300 -0.711 0.000 1.164 349 V CB -1.074 30.125 31.823 -1.039 0.000 0.926 349 V HN 0.250 nan 8.190 nan 0.000 0.442 350 F N 0.427 120.127 119.950 -0.417 0.000 2.453 350 F HA 0.412 4.939 4.527 -0.001 0.000 0.284 350 F C 1.333 176.793 175.800 -0.566 0.000 1.065 350 F CA -0.078 57.570 58.000 -0.586 0.000 1.411 350 F CB -0.182 38.254 39.000 -0.939 0.000 1.131 350 F HN 0.288 nan 8.300 nan 0.000 0.582 351 H N -0.143 118.905 119.070 -0.037 0.000 2.529 351 H HA 0.629 5.185 4.556 -0.001 0.000 0.348 351 H C -0.640 174.742 175.328 0.090 0.000 1.152 351 H CA -0.859 55.133 56.048 -0.093 0.000 1.202 351 H CB 1.702 31.278 29.762 -0.310 0.000 1.562 351 H HN -0.143 nan 8.280 nan 0.000 0.515 352 L N 0.871 122.263 121.223 0.281 0.000 2.334 352 L HA 0.289 4.629 4.340 -0.001 0.000 0.270 352 L C 0.484 177.565 176.870 0.352 0.000 1.018 352 L CA -0.877 54.095 54.840 0.220 0.000 0.811 352 L CB 1.549 43.678 42.059 0.117 0.000 1.271 352 L HN 0.642 nan 8.230 nan 0.000 0.443 353 E N 1.543 121.883 120.200 0.233 0.000 2.442 353 E HA 0.012 4.361 4.350 -0.001 0.000 0.262 353 E C -0.900 175.884 176.600 0.307 0.000 1.004 353 E CA 0.012 56.582 56.400 0.284 0.000 0.928 353 E CB 0.715 30.518 29.700 0.171 0.000 0.937 353 E HN 0.419 nan 8.360 nan 0.000 0.446 354 Q N 3.216 123.205 119.800 0.316 0.000 2.296 354 Q HA 0.233 4.572 4.340 -0.001 0.000 0.254 354 Q C -1.818 174.080 176.000 -0.170 0.000 0.936 354 Q CA -0.569 55.292 55.803 0.097 0.000 0.834 354 Q CB 1.111 29.828 28.738 -0.034 0.000 1.340 354 Q HN 0.354 nan 8.270 nan 0.000 0.428 355 K N 3.179 123.361 120.400 -0.364 0.000 2.174 355 K HA 0.331 4.651 4.320 -0.001 0.000 0.275 355 K C -0.336 175.964 176.600 -0.501 0.000 1.015 355 K CA -0.184 55.757 56.287 -0.576 0.000 0.933 355 K CB 0.741 32.694 32.500 -0.912 0.000 1.025 355 K HN 0.578 nan 8.250 nan 0.000 0.463 356 F N 0.828 120.647 119.950 -0.218 0.000 2.706 356 F HA 0.112 4.638 4.527 -0.001 0.000 0.308 356 F C 0.130 175.994 175.800 0.107 0.000 1.095 356 F CA -0.292 57.702 58.000 -0.011 0.000 1.244 356 F CB -0.095 38.889 39.000 -0.028 0.000 1.063 356 F HN 0.634 nan 8.300 nan 0.000 0.582 357 Y N -0.472 119.892 120.300 0.106 0.000 2.835 357 Y HA -0.517 4.033 4.550 0.000 0.000 0.470 357 Y C 2.329 178.277 175.900 0.079 0.000 1.154 357 Y CA 1.362 59.501 58.100 0.066 0.000 2.680 357 Y CB -1.846 36.630 38.460 0.027 0.000 1.184 357 Y HN 0.028 nan 8.280 nan 0.000 0.622 358 S N 0.560 116.417 115.700 0.263 0.000 2.558 358 S HA 0.154 4.623 4.470 -0.001 0.000 0.217 358 S C 0.422 175.092 174.600 0.117 0.000 0.975 358 S CA 0.305 58.591 58.200 0.143 0.000 0.912 358 S CB -0.230 63.032 63.200 0.103 0.000 0.776 358 S HN 0.306 nan 8.310 nan 0.000 0.526 359 I N 3.693 124.363 120.570 0.167 0.000 2.671 359 I HA 0.087 4.256 4.170 -0.001 0.000 0.285 359 I C 0.627 176.766 176.117 0.036 0.000 1.148 359 I CA 0.198 61.575 61.300 0.128 0.000 1.386 359 I CB -0.781 37.355 38.000 0.226 0.000 1.406 359 I HN 0.276 nan 8.210 nan 0.000 0.540 360 K N 4.506 124.906 120.400 -0.001 0.000 2.336 360 K HA 0.332 4.652 4.320 -0.001 0.000 0.262 360 K C 0.478 177.011 176.600 -0.112 0.000 0.992 360 K CA -0.414 55.845 56.287 -0.047 0.000 0.927 360 K CB 0.460 32.938 32.500 -0.036 0.000 0.956 360 K HN 0.723 nan 8.250 nan 0.000 0.495 361 A N 1.190 123.924 122.820 -0.143 0.000 2.445 361 A HA 0.432 4.752 4.320 -0.001 0.000 0.242 361 A C -0.144 177.334 177.584 -0.175 0.000 1.075 361 A CA -0.166 51.750 52.037 -0.202 0.000 0.777 361 A CB 0.232 19.109 19.000 -0.205 0.000 1.013 361 A HN 0.713 nan 8.150 nan 0.000 0.493 362 A N 1.210 123.923 122.820 -0.180 0.000 2.312 362 A HA 0.659 4.979 4.320 -0.001 0.000 0.328 362 A C -0.661 176.884 177.584 -0.066 0.000 1.158 362 A CA -0.468 51.507 52.037 -0.103 0.000 0.821 362 A CB 0.320 19.262 19.000 -0.096 0.000 1.170 362 A HN 0.729 nan 8.150 nan 0.000 0.490 363 F N 2.649 122.552 119.950 -0.079 0.000 2.438 363 F HA 0.364 4.891 4.527 -0.001 0.000 0.360 363 F C -2.047 173.697 175.800 -0.093 0.000 1.118 363 F CA -2.208 55.751 58.000 -0.067 0.000 1.164 363 F CB 0.843 39.817 39.000 -0.043 0.000 1.131 363 F HN 0.251 nan 8.300 nan 0.000 0.527 364 P HA 0.115 nan 4.420 nan 0.000 0.271 364 P C -0.776 176.529 177.300 0.009 0.000 1.216 364 P CA 0.072 63.204 63.100 0.053 0.000 0.771 364 P CB 0.642 32.362 31.700 0.033 0.000 0.864 365 T N 1.892 116.377 114.554 -0.116 0.000 2.792 365 T HA 0.399 4.749 4.350 -0.001 0.000 0.280 365 T C -0.335 174.224 174.700 -0.235 0.000 0.990 365 T CA -0.364 61.597 62.100 -0.232 0.000 0.960 365 T CB 0.734 69.330 68.868 -0.454 0.000 0.939 365 T HN 0.117 nan 8.240 nan 0.000 0.439 366 S N 2.366 117.978 115.700 -0.146 0.000 2.449 366 S HA 0.755 5.225 4.470 -0.001 0.000 0.310 366 S C -0.695 173.871 174.600 -0.057 0.000 1.096 366 S CA -0.503 57.645 58.200 -0.086 0.000 1.095 366 S CB 0.699 63.871 63.200 -0.048 0.000 1.007 366 S HN 0.767 nan 8.310 nan 0.000 0.474 367 S N 3.137 118.829 115.700 -0.013 0.000 2.537 367 S HA 0.747 5.217 4.470 -0.001 0.000 0.271 367 S C -0.611 174.028 174.600 0.065 0.000 1.148 367 S CA 0.299 58.527 58.200 0.047 0.000 0.868 367 S CB 1.080 64.354 63.200 0.123 0.000 1.115 367 S HN 1.985 nan 8.310 nan 0.000 0.461 368 G N 1.246 110.078 108.800 0.054 0.000 2.992 368 G HA2 0.455 4.415 3.960 -0.001 0.000 0.677 368 G HA3 0.455 4.415 3.960 -0.001 0.000 0.677 368 G C 0.965 175.872 174.900 0.011 0.000 1.191 368 G CA 0.485 45.614 45.100 0.047 0.000 1.178 368 G HN 2.311 nan 8.290 nan 0.000 0.506 369 G N -0.276 108.520 108.800 -0.006 0.000 2.147 369 G HA2 -0.126 3.833 3.960 -0.001 0.000 0.244 369 G HA3 -0.126 3.833 3.960 -0.001 0.000 0.244 369 G C 0.482 175.349 174.900 -0.055 0.000 1.005 369 G CA 0.558 45.643 45.100 -0.024 0.000 0.713 369 G HN 1.455 nan 8.290 nan 0.000 0.515 370 L N 0.563 121.731 121.223 -0.091 0.000 2.334 370 L HA 0.772 5.112 4.340 -0.001 0.000 0.277 370 L C 0.723 177.459 176.870 -0.222 0.000 1.075 370 L CA -0.962 53.774 54.840 -0.174 0.000 0.804 370 L CB 1.153 43.135 42.059 -0.128 0.000 1.174 370 L HN 0.579 nan 8.230 nan 0.000 0.438 371 H N 0.178 119.075 119.070 -0.289 0.000 2.990 371 H HA 0.400 4.955 4.556 -0.001 0.000 0.343 371 H C -2.620 172.609 175.328 -0.166 0.000 1.270 371 H CA -2.040 53.776 56.048 -0.386 0.000 1.118 371 H CB 0.690 29.974 29.762 -0.796 0.000 1.861 371 H HN 0.117 nan 8.280 nan 0.000 0.544 372 P HA -0.126 nan 4.420 nan 0.000 0.217 372 P C 1.481 178.799 177.300 0.031 0.000 1.148 372 P CA 2.485 65.601 63.100 0.028 0.000 0.834 372 P CB -0.160 31.627 31.700 0.146 0.000 0.783 373 G N -0.476 108.426 108.800 0.170 0.000 2.650 373 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.214 373 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.214 373 G C 0.943 175.864 174.900 0.034 0.000 1.136 373 G CA 0.450 45.628 45.100 0.131 0.000 0.789 373 G HN 0.379 nan 8.290 nan 0.000 0.536 374 N N 0.066 118.533 118.700 -0.389 0.000 2.184 374 N HA 0.033 4.773 4.740 -0.001 0.000 0.234 374 N C 1.553 176.939 175.510 -0.207 0.000 1.282 374 N CA -0.022 52.859 53.050 -0.281 0.000 0.877 374 N CB -0.552 37.691 38.487 -0.407 0.000 1.184 374 N HN 0.430 nan 8.380 nan 0.000 0.510 375 I N -2.530 117.931 120.570 -0.182 0.000 2.761 375 I HA -0.010 4.159 4.170 -0.001 0.000 0.261 375 I C 2.283 178.349 176.117 -0.085 0.000 1.198 375 I CA 0.623 61.845 61.300 -0.130 0.000 1.482 375 I CB -0.188 37.732 38.000 -0.134 0.000 1.100 375 I HN -0.037 nan 8.210 nan 0.000 0.445 376 Q N 3.468 123.227 119.800 -0.068 0.000 1.998 376 Q HA -0.161 4.178 4.340 -0.001 0.000 0.209 376 Q C -0.490 175.481 176.000 -0.048 0.000 1.002 376 Q CA 3.003 58.774 55.803 -0.053 0.000 0.858 376 Q CB -1.952 26.762 28.738 -0.041 0.000 0.932 376 Q HN 0.376 nan 8.270 nan 0.000 0.416 377 P HA -0.088 nan 4.420 nan 0.000 0.222 377 P C 1.179 178.459 177.300 -0.033 0.000 1.147 377 P CA 1.102 64.180 63.100 -0.037 0.000 0.790 377 P CB 0.000 31.679 31.700 -0.035 0.000 0.780 378 V N 0.386 120.275 119.914 -0.042 0.000 2.283 378 V HA -0.181 3.938 4.120 -0.001 0.000 0.243 378 V C 2.641 178.720 176.094 -0.025 0.000 1.039 378 V CA 1.464 63.743 62.300 -0.035 0.000 1.016 378 V CB -1.014 30.781 31.823 -0.048 0.000 0.650 378 V HN -0.014 nan 8.190 nan 0.000 0.449 379 I N 0.634 121.185 120.570 -0.031 0.000 2.361 379 I HA -0.202 3.967 4.170 -0.001 0.000 0.251 379 I C 2.917 179.025 176.117 -0.016 0.000 1.133 379 I CA 1.607 62.894 61.300 -0.021 0.000 1.413 379 I CB -0.652 37.329 38.000 -0.031 0.000 1.073 379 I HN 0.494 nan 8.210 nan 0.000 0.424 380 E N 1.163 121.350 120.200 -0.021 0.000 2.072 380 E HA -0.149 4.200 4.350 -0.001 0.000 0.191 380 E C 2.306 178.902 176.600 -0.008 0.000 0.985 380 E CA 1.458 57.848 56.400 -0.016 0.000 0.801 380 E CB -0.749 28.939 29.700 -0.021 0.000 0.750 380 E HN 0.607 nan 8.360 nan 0.000 0.452 381 A N -0.254 122.562 122.820 -0.006 0.000 1.930 381 A HA 0.258 4.577 4.320 -0.001 0.000 0.215 381 A C 2.317 179.906 177.584 0.008 0.000 1.176 381 A CA 1.353 53.391 52.037 0.002 0.000 0.632 381 A CB 0.007 19.008 19.000 0.002 0.000 0.819 381 A HN 0.421 nan 8.150 nan 0.000 0.445 382 L N -1.935 119.292 121.223 0.007 0.000 2.609 382 L HA 0.365 4.704 4.340 -0.001 0.000 0.230 382 L C 1.295 178.176 176.870 0.018 0.000 1.087 382 L CA 0.289 55.138 54.840 0.014 0.000 0.874 382 L CB -0.411 41.656 42.059 0.013 0.000 1.114 382 L HN 0.598 nan 8.230 nan 0.000 0.488 383 G N 1.085 109.893 108.800 0.012 0.000 2.660 383 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.215 383 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.215 383 G C 0.489 175.405 174.900 0.027 0.000 1.345 383 G CA 0.028 45.137 45.100 0.015 0.000 0.877 383 G HN 0.196 nan 8.290 nan 0.000 0.549 384 T N -3.198 111.377 114.554 0.035 0.000 3.060 384 T HA 0.289 4.638 4.350 -0.001 0.000 0.249 384 T C 0.710 175.477 174.700 0.112 0.000 1.079 384 T CA 1.205 63.337 62.100 0.053 0.000 1.013 384 T CB 0.375 69.265 68.868 0.037 0.000 0.975 384 T HN 0.394 nan 8.240 nan 0.000 0.518 385 D N 2.670 123.138 120.400 0.112 0.000 2.688 385 D HA 0.354 4.994 4.640 -0.001 0.000 0.228 385 D C 0.077 176.580 176.300 0.338 0.000 1.116 385 D CA -0.226 53.887 54.000 0.188 0.000 1.023 385 D CB -0.395 40.412 40.800 0.011 0.000 1.100 385 D HN 0.728 nan 8.370 nan 0.000 0.487 386 I N -3.105 117.689 120.570 0.374 0.000 3.095 386 I HA 0.563 4.733 4.170 -0.001 0.000 0.310 386 I C -0.833 175.259 176.117 -0.042 0.000 1.196 386 I CA -1.243 60.200 61.300 0.237 0.000 0.985 386 I CB 2.015 40.068 38.000 0.087 0.000 1.250 386 I HN -0.378 nan 8.210 nan 0.000 0.446 387 V N 3.864 123.653 119.914 -0.208 0.000 2.427 387 V HA 0.467 4.586 4.120 -0.001 0.000 0.286 387 V C -0.011 176.046 176.094 -0.061 0.000 1.034 387 V CA -0.456 61.692 62.300 -0.253 0.000 0.893 387 V CB 1.470 33.082 31.823 -0.352 0.000 0.982 387 V HN 0.469 nan 8.190 nan 0.000 0.452 388 L N 4.421 125.666 121.223 0.037 0.000 2.317 388 L HA 0.576 4.916 4.340 -0.001 0.000 0.281 388 L C -0.125 176.833 176.870 0.147 0.000 1.024 388 L CA -0.295 54.586 54.840 0.068 0.000 0.810 388 L CB 1.617 43.716 42.059 0.067 0.000 1.240 388 L HN 0.529 nan 8.230 nan 0.000 0.427 389 Q N 3.892 123.755 119.800 0.105 0.000 2.325 389 Q HA 0.455 4.795 4.340 -0.001 0.000 0.270 389 Q C -1.757 174.293 176.000 0.083 0.000 1.020 389 Q CA -0.762 55.113 55.803 0.119 0.000 0.785 389 Q CB 1.945 30.786 28.738 0.172 0.000 1.259 389 Q HN 0.423 nan 8.270 nan 0.000 0.452 390 L N 3.799 125.077 121.223 0.092 0.000 2.388 390 L HA 0.476 4.815 4.340 -0.001 0.000 0.267 390 L C 0.868 177.762 176.870 0.041 0.000 0.995 390 L CA -0.096 54.783 54.840 0.066 0.000 0.864 390 L CB 1.777 43.893 42.059 0.096 0.000 1.216 390 L HN 0.795 nan 8.230 nan 0.000 0.430 391 G N 1.635 110.448 108.800 0.022 0.000 2.670 391 G HA2 0.073 4.032 3.960 -0.001 0.000 0.219 391 G HA3 0.073 4.032 3.960 -0.001 0.000 0.219 391 G C 1.260 176.173 174.900 0.022 0.000 1.342 391 G CA 0.611 45.726 45.100 0.024 0.000 0.902 391 G HN 0.684 nan 8.290 nan 0.000 0.553 392 G N 0.519 109.325 108.800 0.010 0.000 2.448 392 G HA2 0.125 4.085 3.960 -0.001 0.000 0.219 392 G HA3 0.125 4.085 3.960 -0.001 0.000 0.219 392 G C 1.615 176.486 174.900 -0.048 0.000 1.127 392 G CA 1.301 46.415 45.100 0.022 0.000 0.766 392 G HN 0.679 nan 8.290 nan 0.000 0.552 393 G N -0.608 108.074 108.800 -0.196 0.000 2.679 393 G HA2 0.123 4.083 3.960 -0.001 0.000 0.212 393 G HA3 0.123 4.083 3.960 -0.001 0.000 0.212 393 G C 1.452 176.286 174.900 -0.110 0.000 1.137 393 G CA 1.506 46.324 45.100 -0.469 0.000 0.787 393 G HN 0.395 nan 8.290 nan 0.000 0.534 394 T N 0.212 114.816 114.554 0.083 0.000 3.151 394 T HA 0.102 4.452 4.350 -0.001 0.000 0.239 394 T C 2.100 176.938 174.700 0.230 0.000 0.979 394 T CA -0.093 62.118 62.100 0.185 0.000 1.194 394 T CB -0.075 68.878 68.868 0.141 0.000 0.982 394 T HN 0.037 nan 8.240 nan 0.000 0.428 395 L N 1.615 122.932 121.223 0.156 0.000 2.275 395 L HA 0.168 4.508 4.340 -0.001 0.000 0.215 395 L C 2.372 179.360 176.870 0.198 0.000 1.119 395 L CA 1.203 56.121 54.840 0.130 0.000 0.790 395 L CB -0.529 41.569 42.059 0.064 0.000 0.919 395 L HN 0.390 nan 8.230 nan 0.000 0.443 396 G N -2.850 106.152 108.800 0.336 0.000 3.088 396 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.212 396 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.212 396 G C 0.548 175.601 174.900 0.255 0.000 1.173 396 G CA -0.289 45.044 45.100 0.388 0.000 0.779 396 G HN 0.297 nan 8.290 nan 0.000 0.540 397 H N 1.344 120.534 119.070 0.200 0.000 2.929 397 H HA 0.070 4.626 4.556 -0.001 0.000 0.317 397 H C -1.273 173.984 175.328 -0.119 0.000 1.031 397 H CA -1.240 54.789 56.048 -0.032 0.000 1.466 397 H CB 1.768 31.578 29.762 0.080 0.000 1.482 397 H HN -0.034 nan 8.280 nan 0.000 0.561 398 P HA -0.188 nan 4.420 nan 0.000 0.217 398 P C 0.532 177.814 177.300 -0.031 0.000 1.158 398 P CA 1.533 64.480 63.100 -0.255 0.000 0.887 398 P CB 0.308 31.778 31.700 -0.382 0.000 0.792 399 D N -1.431 119.077 120.400 0.180 0.000 2.328 399 D HA 0.277 4.916 4.640 -0.001 0.000 0.226 399 D C 1.215 177.586 176.300 0.118 0.000 1.066 399 D CA 0.787 54.882 54.000 0.160 0.000 0.861 399 D CB -0.046 40.864 40.800 0.182 0.000 0.912 399 D HN 0.186 nan 8.370 nan 0.000 0.521 400 G N 1.462 110.344 108.800 0.137 0.000 2.603 400 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.686 400 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.686 400 G C -2.171 172.763 174.900 0.057 0.000 1.286 400 G CA -0.567 44.574 45.100 0.069 0.000 0.871 400 G HN -0.168 nan 8.290 nan 0.000 0.568 401 P HA -0.056 nan 4.420 nan 0.000 0.217 401 P C 2.099 179.373 177.300 -0.043 0.000 1.150 401 P CA 2.753 65.856 63.100 0.006 0.000 0.832 401 P CB -0.145 31.543 31.700 -0.021 0.000 0.787 402 A N 0.811 123.594 122.820 -0.061 0.000 1.877 402 A HA -0.105 4.215 4.320 -0.001 0.000 0.216 402 A C 2.524 180.034 177.584 -0.124 0.000 1.186 402 A CA 2.473 54.459 52.037 -0.085 0.000 0.620 402 A CB -1.631 17.326 19.000 -0.072 0.000 0.822 402 A HN 0.222 nan 8.150 nan 0.000 0.443 403 A N -0.610 122.111 122.820 -0.165 0.000 1.933 403 A HA 0.121 4.440 4.320 -0.001 0.000 0.218 403 A C 2.389 179.601 177.584 -0.620 0.000 1.175 403 A CA 1.933 53.770 52.037 -0.334 0.000 0.628 403 A CB -1.341 17.480 19.000 -0.299 0.000 0.814 403 A HN 0.751 nan 8.150 nan 0.000 0.444 404 G N -0.520 108.006 108.800 -0.458 0.000 2.418 404 G HA2 0.019 3.978 3.960 -0.001 0.000 0.217 404 G HA3 0.019 3.978 3.960 -0.001 0.000 0.217 404 G C 1.736 176.596 174.900 -0.067 0.000 1.158 404 G CA 1.438 46.412 45.100 -0.210 0.000 0.771 404 G HN 0.758 nan 8.290 nan 0.000 0.545 405 A N 1.035 123.834 122.820 -0.034 0.000 1.845 405 A HA -0.023 4.297 4.320 -0.001 0.000 0.215 405 A C 2.423 179.994 177.584 -0.023 0.000 1.195 405 A CA 1.679 53.753 52.037 0.062 0.000 0.616 405 A CB -0.499 18.525 19.000 0.041 0.000 0.832 405 A HN 0.325 nan 8.150 nan 0.000 0.443 406 R N -0.538 119.919 120.500 -0.073 0.000 2.117 406 R HA -0.179 4.160 4.340 -0.001 0.000 0.243 406 R C 2.414 178.668 176.300 -0.076 0.000 1.143 406 R CA 1.306 57.365 56.100 -0.068 0.000 0.968 406 R CB -0.547 29.711 30.300 -0.069 0.000 0.863 406 R HN 0.545 nan 8.270 nan 0.000 0.444 407 A N 0.581 123.335 122.820 -0.109 0.000 1.933 407 A HA -0.109 4.211 4.320 -0.001 0.000 0.218 407 A C 2.360 179.908 177.584 -0.060 0.000 1.175 407 A CA 1.374 53.392 52.037 -0.031 0.000 0.628 407 A CB -0.389 18.638 19.000 0.046 0.000 0.814 407 A HN 0.126 nan 8.150 nan 0.000 0.444 408 V N 0.085 119.899 119.914 -0.167 0.000 2.358 408 V HA -0.197 3.922 4.120 -0.001 0.000 0.246 408 V C 2.722 178.585 176.094 -0.385 0.000 1.047 408 V CA 1.840 63.917 62.300 -0.371 0.000 1.035 408 V CB -0.771 30.544 31.823 -0.847 0.000 0.658 408 V HN 0.441 nan 8.190 nan 0.000 0.452 409 R N 0.249 120.567 120.500 -0.303 0.000 2.073 409 R HA -0.168 4.171 4.340 -0.001 0.000 0.234 409 R C 2.298 178.502 176.300 -0.160 0.000 1.134 409 R CA 1.614 57.599 56.100 -0.190 0.000 0.952 409 R CB -0.859 29.393 30.300 -0.080 0.000 0.850 409 R HN 0.628 nan 8.270 nan 0.000 0.433 410 Q N 0.083 119.812 119.800 -0.118 0.000 2.077 410 Q HA -0.152 4.187 4.340 -0.001 0.000 0.206 410 Q C 2.152 178.010 176.000 -0.236 0.000 0.989 410 Q CA 2.039 57.774 55.803 -0.112 0.000 0.853 410 Q CB -0.322 28.413 28.738 -0.005 0.000 0.907 410 Q HN 0.395 nan 8.270 nan 0.000 0.418 411 A N 0.797 123.516 122.820 -0.169 0.000 1.908 411 A HA -0.195 4.124 4.320 -0.001 0.000 0.218 411 A C 2.050 179.495 177.584 -0.232 0.000 1.181 411 A CA 1.324 53.254 52.037 -0.177 0.000 0.627 411 A CB -0.663 18.271 19.000 -0.110 0.000 0.818 411 A HN 0.331 nan 8.150 nan 0.000 0.445 412 I N -0.354 120.083 120.570 -0.223 0.000 2.179 412 I HA -0.234 3.936 4.170 -0.001 0.000 0.242 412 I C 2.008 177.999 176.117 -0.210 0.000 1.088 412 I CA 1.454 62.640 61.300 -0.190 0.000 1.357 412 I CB -0.511 37.392 38.000 -0.161 0.000 1.051 412 I HN 0.240 nan 8.210 nan 0.000 0.409 413 D N 1.220 121.469 120.400 -0.251 0.000 2.106 413 D HA -0.211 4.428 4.640 -0.001 0.000 0.191 413 D C 2.253 178.284 176.300 -0.448 0.000 0.997 413 D CA 1.816 55.645 54.000 -0.286 0.000 0.834 413 D CB -0.310 40.337 40.800 -0.254 0.000 0.956 413 D HN 0.350 nan 8.370 nan 0.000 0.448 414 A N 0.520 122.868 122.820 -0.786 0.000 1.908 414 A HA -0.181 4.139 4.320 -0.001 0.000 0.218 414 A C 2.421 179.798 177.584 -0.344 0.000 1.181 414 A CA 1.254 52.797 52.037 -0.824 0.000 0.627 414 A CB -0.768 17.715 19.000 -0.862 0.000 0.818 414 A HN 0.269 nan 8.150 nan 0.000 0.445 415 I N -0.824 119.595 120.570 -0.251 0.000 2.353 415 I HA -0.219 3.950 4.170 -0.001 0.000 0.248 415 I C 2.452 178.503 176.117 -0.110 0.000 1.119 415 I CA 0.845 62.059 61.300 -0.143 0.000 1.417 415 I CB -0.310 37.621 38.000 -0.116 0.000 1.078 415 I HN 0.264 nan 8.210 nan 0.000 0.421 416 M N -0.046 119.483 119.600 -0.119 0.000 2.229 416 M HA -0.182 4.298 4.480 -0.001 0.000 0.264 416 M C 1.735 177.997 176.300 -0.063 0.000 1.063 416 M CA 1.684 56.938 55.300 -0.077 0.000 1.114 416 M CB -0.908 31.650 32.600 -0.070 0.000 1.387 416 M HN 0.329 nan 8.290 nan 0.000 0.420 417 Q N -0.709 119.040 119.800 -0.085 0.000 2.246 417 Q HA 0.253 4.593 4.340 -0.001 0.000 0.202 417 Q C 1.129 177.110 176.000 -0.031 0.000 0.883 417 Q CA 0.295 56.071 55.803 -0.046 0.000 0.952 417 Q CB 0.290 29.008 28.738 -0.034 0.000 1.078 417 Q HN 0.704 nan 8.270 nan 0.000 0.493 418 G N 1.528 110.301 108.800 -0.044 0.000 2.196 418 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.268 418 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.268 418 G C 0.272 175.163 174.900 -0.016 0.000 0.975 418 G CA 0.123 45.207 45.100 -0.027 0.000 0.648 418 G HN 0.412 nan 8.290 nan 0.000 0.538 419 I N 2.610 123.169 120.570 -0.018 0.000 2.421 419 I HA 0.210 4.380 4.170 -0.001 0.000 0.291 419 I C -1.752 174.375 176.117 0.018 0.000 1.089 419 I CA -1.918 59.402 61.300 0.033 0.000 1.354 419 I CB 0.743 38.817 38.000 0.124 0.000 1.413 419 I HN -0.119 nan 8.210 nan 0.000 0.513 420 P HA -0.045 nan 4.420 nan 0.000 0.264 420 P C 0.625 177.983 177.300 0.097 0.000 1.183 420 P CA -0.136 62.990 63.100 0.042 0.000 0.763 420 P CB 0.534 32.258 31.700 0.041 0.000 0.807 421 L N 2.749 124.030 121.223 0.096 0.000 2.043 421 L HA -0.225 4.115 4.340 -0.001 0.000 0.212 421 L C 1.822 178.816 176.870 0.208 0.000 1.075 421 L CA 1.978 56.913 54.840 0.158 0.000 0.752 421 L CB -1.051 41.117 42.059 0.181 0.000 0.891 421 L HN 0.395 nan 8.230 nan 0.000 0.432 422 D N -0.272 120.240 120.400 0.187 0.000 2.149 422 D HA -0.187 4.453 4.640 -0.001 0.000 0.198 422 D C 2.319 178.701 176.300 0.136 0.000 0.990 422 D CA 1.602 55.700 54.000 0.163 0.000 0.839 422 D CB -0.010 40.878 40.800 0.146 0.000 0.948 422 D HN 0.570 nan 8.370 nan 0.000 0.460 423 E N -0.070 120.213 120.200 0.138 0.000 2.216 423 E HA -0.129 4.221 4.350 -0.001 0.000 0.192 423 E C 1.826 178.524 176.600 0.164 0.000 0.988 423 E CA 0.398 56.872 56.400 0.122 0.000 0.834 423 E CB -0.998 28.766 29.700 0.107 0.000 0.772 423 E HN 0.443 nan 8.360 nan 0.000 0.479 424 Y N 0.539 120.893 120.300 0.089 0.000 2.337 424 Y HA 0.232 4.782 4.550 -0.001 0.000 0.293 424 Y C 2.746 178.780 175.900 0.225 0.000 1.123 424 Y CA 1.062 59.246 58.100 0.139 0.000 1.201 424 Y CB -0.192 38.303 38.460 0.059 0.000 1.011 424 Y HN 0.308 nan 8.280 nan 0.000 0.545 425 A N 0.486 123.454 122.820 0.247 0.000 1.902 425 A HA -0.239 4.081 4.320 -0.001 0.000 0.217 425 A C 2.127 179.755 177.584 0.072 0.000 1.181 425 A CA 1.943 54.084 52.037 0.175 0.000 0.623 425 A CB -0.577 18.507 19.000 0.140 0.000 0.818 425 A HN 0.490 nan 8.150 nan 0.000 0.443 426 K N -0.536 119.888 120.400 0.039 0.000 2.207 426 K HA -0.186 4.134 4.320 -0.001 0.000 0.208 426 K C 1.290 177.838 176.600 -0.086 0.000 1.046 426 K CA 1.850 58.128 56.287 -0.015 0.000 0.929 426 K CB -0.431 32.062 32.500 -0.011 0.000 0.720 426 K HN 0.743 nan 8.250 nan 0.000 0.463 427 T N -3.110 111.343 114.554 -0.169 0.000 3.182 427 T HA 0.159 4.509 4.350 -0.001 0.000 0.277 427 T C -0.456 173.820 174.700 -0.707 0.000 1.013 427 T CA -0.649 61.217 62.100 -0.390 0.000 0.900 427 T CB -0.006 68.577 68.868 -0.475 0.000 1.098 427 T HN 0.101 nan 8.240 nan 0.000 0.543 428 H N 0.000 118.989 119.070 -0.136 0.000 3.162 428 H HA 0.567 5.122 4.556 -0.001 0.000 0.309 428 H C 1.149 176.472 175.328 -0.008 0.000 1.156 428 H CA -0.371 55.630 56.048 -0.078 0.000 1.586 428 H CB 1.313 31.032 29.762 -0.072 0.000 1.740 428 H HN 0.097 nan 8.280 nan 0.000 0.525 429 K N 2.108 122.545 120.400 0.062 0.000 2.020 429 K HA -0.219 4.100 4.320 -0.001 0.000 0.212 429 K C 1.707 178.372 176.600 0.108 0.000 1.050 429 K CA 2.232 58.553 56.287 0.057 0.000 0.929 429 K CB -0.489 32.027 32.500 0.026 0.000 0.714 429 K HN 0.619 nan 8.250 nan 0.000 0.443 430 E N 0.272 120.544 120.200 0.120 0.000 2.065 430 E HA -0.179 4.170 4.350 -0.001 0.000 0.201 430 E C 2.021 178.784 176.600 0.273 0.000 1.016 430 E CA 1.440 57.937 56.400 0.162 0.000 0.818 430 E CB -0.420 29.279 29.700 -0.002 0.000 0.749 430 E HN 0.419 nan 8.360 nan 0.000 0.453 431 L N 0.498 121.838 121.223 0.195 0.000 2.046 431 L HA -0.099 4.241 4.340 -0.001 0.000 0.208 431 L C 2.056 179.017 176.870 0.151 0.000 1.077 431 L CA 2.100 57.054 54.840 0.189 0.000 0.747 431 L CB -0.946 41.227 42.059 0.189 0.000 0.896 431 L HN 0.130 nan 8.230 nan 0.000 0.432 432 A N -0.362 122.534 122.820 0.126 0.000 1.865 432 A HA -0.225 4.095 4.320 -0.001 0.000 0.217 432 A C 2.375 179.967 177.584 0.014 0.000 1.191 432 A CA 1.793 53.870 52.037 0.067 0.000 0.623 432 A CB -0.582 18.447 19.000 0.049 0.000 0.826 432 A HN 0.450 nan 8.150 nan 0.000 0.444 433 R N -0.578 119.932 120.500 0.017 0.000 2.115 433 R HA -0.043 4.297 4.340 -0.001 0.000 0.230 433 R C 2.396 178.520 176.300 -0.295 0.000 1.111 433 R CA 1.255 57.285 56.100 -0.118 0.000 0.976 433 R CB -0.918 29.338 30.300 -0.073 0.000 0.870 433 R HN 0.561 nan 8.270 nan 0.000 0.445 434 A N 1.184 123.931 122.820 -0.121 0.000 1.873 434 A HA -0.089 4.231 4.320 -0.001 0.000 0.215 434 A C 2.315 179.865 177.584 -0.057 0.000 1.186 434 A CA 0.976 52.952 52.037 -0.102 0.000 0.616 434 A CB -0.530 18.668 19.000 0.330 0.000 0.823 434 A HN 0.183 nan 8.150 nan 0.000 0.442 435 L N -0.715 120.502 121.223 -0.010 0.000 2.141 435 L HA -0.182 4.158 4.340 -0.001 0.000 0.209 435 L C 2.589 179.389 176.870 -0.117 0.000 1.094 435 L CA 1.592 56.396 54.840 -0.060 0.000 0.763 435 L CB -0.487 41.533 42.059 -0.065 0.000 0.908 435 L HN 0.618 nan 8.230 nan 0.000 0.437 436 E N 0.910 121.020 120.200 -0.149 0.000 2.085 436 E HA -0.299 4.051 4.350 -0.001 0.000 0.194 436 E C 2.225 178.680 176.600 -0.241 0.000 0.994 436 E CA 1.581 57.880 56.400 -0.168 0.000 0.801 436 E CB 0.116 29.713 29.700 -0.171 0.000 0.743 436 E HN 0.353 nan 8.360 nan 0.000 0.453 437 K N -0.875 119.279 120.400 -0.410 0.000 2.098 437 K HA -0.083 4.237 4.320 -0.001 0.000 0.203 437 K C 1.530 177.836 176.600 -0.491 0.000 1.051 437 K CA 1.134 57.069 56.287 -0.586 0.000 0.957 437 K CB 0.073 31.943 32.500 -1.050 0.000 0.738 437 K HN 0.239 nan 8.250 nan 0.000 0.447 438 W N 0.488 121.636 121.300 -0.252 0.000 2.901 438 W HA 0.291 4.950 4.660 -0.001 0.000 0.281 438 W C 1.190 177.541 176.519 -0.280 0.000 1.167 438 W CA 0.561 57.677 57.345 -0.382 0.000 1.506 438 W CB -0.358 28.624 29.460 -0.797 0.000 0.985 438 W HN 0.436 nan 8.180 nan 0.000 0.590 439 G N 1.688 110.475 108.800 -0.021 0.000 2.591 439 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.298 439 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.298 439 G C 0.314 175.118 174.900 -0.160 0.000 1.195 439 G CA 1.043 46.083 45.100 -0.100 0.000 0.989 439 G HN 0.447 nan 8.290 nan 0.000 0.551 440 H N -0.649 118.553 119.070 0.221 0.000 2.575 440 H HA 0.474 5.030 4.556 -0.001 0.000 0.256 440 H C 0.753 176.207 175.328 0.210 0.000 1.162 440 H CA 0.317 56.505 56.048 0.233 0.000 0.969 440 H CB 0.083 29.912 29.762 0.113 0.000 1.796 440 H HN 0.402 nan 8.280 nan 0.000 0.607 441 V N 1.909 122.011 119.914 0.314 0.000 3.051 441 V HA 0.103 4.223 4.120 -0.001 0.000 0.306 441 V C 0.291 176.527 176.094 0.237 0.000 1.083 441 V CA 0.263 62.695 62.300 0.220 0.000 1.104 441 V CB 1.470 33.380 31.823 0.145 0.000 1.027 441 V HN 0.288 nan 8.190 nan 0.000 0.483 442 T N 7.371 122.006 114.554 0.135 0.000 2.832 442 T HA 0.404 4.754 4.350 -0.001 0.000 0.313 442 T C -2.529 172.217 174.700 0.077 0.000 1.035 442 T CA -0.688 61.467 62.100 0.093 0.000 0.950 442 T CB 0.911 69.812 68.868 0.056 0.000 0.984 442 T HN 0.632 nan 8.240 nan 0.000 0.486 443 P HA 0.320 nan 4.420 nan 0.000 0.266 443 P C -0.659 176.665 177.300 0.039 0.000 1.195 443 P CA -0.165 62.965 63.100 0.051 0.000 0.768 443 P CB 0.632 32.351 31.700 0.033 0.000 0.838 444 V N 0.000 119.936 119.914 0.036 0.000 2.409 444 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 444 V CA 0.000 62.318 62.300 0.030 0.000 1.235 444 V CB 0.000 31.841 31.823 0.030 0.000 1.184 444 V HN 0.000 nan 8.190 nan 0.000 0.556