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 1b8s_1_A DATA FIRST_RESID 9 DATA SEQUENCE GYVPAVVIGT GYGAAVSALR LGEAGVQTLM LEMGQLWNQP GPDGNIFCGM DATA SEQUENCE LNPDKRSSWF KNRTEAPLGS FLWLDVVNRN IDPYAGVLDR VNYDQMSVYV DATA SEQUENCE GRGVGGGSLV NGGMAVEPKR SYFEEILPRV DSSEMYDRYF PRANSMLRVN DATA SEQUENCE HIDTKWFEDT EWYKFARVSR EQAGKAGLGT VFVPNVYDFG YMQREAAGEV DATA SEQUENCE PKSALATEVI YGNNHGKQSL DKTYLAAALG TGKVTIQTLH QVKTIRQTKD DATA SEQUENCE GGYALTVEQK DTDGKLLATK EISCRYLFLG AGSLGSTELL VRARDTGTLP DATA SEQUENCE NLNSEVGAGW GPNGNIMTAR ANHMWNPTGA HQSSIPALGI DAWDNSDSSV DATA SEQUENCE FAQIAPMPAG LETWVSLYLA ITKNPQRGTF VYDAATDRAK LNWTRDQNAP DATA SEQUENCE AVNAAKALFD RINKANGTIY RYDLFGTQLK AFADDFCYHP LGGCVLGKAT DATA SEQUENCE DDYGRVAGYK NLYVTDGSLI PGSVGVNPFV TITALAERNV ERIIKQDV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 G HA2 0.000 nan 3.960 nan 0.000 0.244 9 G HA3 0.000 3.585 3.960 -0.626 0.000 0.244 9 G C 0.000 174.970 174.900 0.117 0.000 0.946 9 G CA 0.000 45.148 45.100 0.081 0.000 0.502 10 Y N 1.057 121.363 120.300 0.010 0.000 2.409 10 Y HA 0.742 4.917 4.550 -0.625 0.000 0.339 10 Y C -0.951 174.959 175.900 0.017 0.000 1.033 10 Y CA -1.334 56.773 58.100 0.011 0.000 1.094 10 Y CB 2.306 40.767 38.460 0.002 0.000 1.210 10 Y HN 0.284 nan 8.280 nan 0.000 0.456 11 V N 8.591 127.997 119.914 -0.847 0.000 2.777 11 V HA 0.375 4.119 4.120 -0.626 0.000 0.306 11 V C -2.355 173.234 176.094 -0.842 0.000 1.112 11 V CA -2.285 59.648 62.300 -0.612 0.000 0.917 11 V CB 2.392 34.068 31.823 -0.246 0.000 1.018 11 V HN 0.720 nan 8.190 nan 0.000 0.426 12 P HA -0.072 nan 4.420 nan 0.000 0.217 12 P C -0.014 177.294 177.300 0.014 0.000 1.162 12 P CA 2.273 65.271 63.100 -0.171 0.000 0.901 12 P CB 0.210 31.955 31.700 0.076 0.000 0.793 13 A N -1.512 121.356 122.820 0.079 0.000 2.371 13 A HA 0.574 4.519 4.320 -0.626 0.000 0.311 13 A C -1.173 176.478 177.584 0.111 0.000 1.068 13 A CA -0.453 51.721 52.037 0.228 0.000 0.744 13 A CB 1.539 20.724 19.000 0.308 0.000 1.239 13 A HN -0.128 nan 8.150 nan 0.000 0.435 14 V N 2.383 122.400 119.914 0.172 0.000 2.540 14 V HA 0.512 4.257 4.120 -0.626 0.000 0.302 14 V C -0.601 175.595 176.094 0.170 0.000 1.035 14 V CA -0.488 61.873 62.300 0.101 0.000 0.873 14 V CB 1.825 33.683 31.823 0.058 0.000 0.992 14 V HN 0.691 nan 8.190 nan 0.000 0.428 15 V N 6.138 126.103 119.914 0.085 0.000 2.409 15 V HA 0.489 4.234 4.120 -0.626 0.000 0.291 15 V C -0.110 176.010 176.094 0.044 0.000 1.020 15 V CA -0.466 61.886 62.300 0.086 0.000 0.848 15 V CB 1.785 33.597 31.823 -0.017 0.000 0.990 15 V HN 0.665 nan 8.190 nan 0.000 0.430 16 I N 4.987 125.590 120.570 0.054 0.000 2.312 16 I HA 0.657 4.452 4.170 -0.626 0.000 0.291 16 I C 0.925 177.047 176.117 0.009 0.000 1.031 16 I CA 0.313 61.627 61.300 0.023 0.000 1.293 16 I CB 0.763 38.771 38.000 0.014 0.000 1.403 16 I HN 0.898 nan 8.210 nan 0.000 0.484 17 G N 4.319 113.117 108.800 -0.002 0.000 2.707 17 G HA2 -0.141 3.443 3.960 -0.626 0.000 0.686 17 G HA3 -0.141 3.443 3.960 -0.626 0.000 0.686 17 G C -0.027 174.853 174.900 -0.032 0.000 1.315 17 G CA -0.243 44.846 45.100 -0.017 0.000 0.832 17 G HN 0.820 nan 8.290 nan 0.000 0.573 18 T N -1.620 112.905 114.554 -0.048 0.000 3.516 18 T HA 0.650 4.625 4.350 -0.626 0.000 0.300 18 T C 1.174 175.796 174.700 -0.130 0.000 0.995 18 T CA 0.966 63.020 62.100 -0.075 0.000 0.982 18 T CB 0.426 69.261 68.868 -0.054 0.000 1.199 18 T HN 1.906 nan 8.240 nan 0.000 0.481 19 G N 0.502 109.228 108.800 -0.124 0.000 2.504 19 G HA2 0.429 4.013 3.960 -0.626 0.000 0.257 19 G HA3 0.429 4.013 3.960 -0.626 0.000 0.257 19 G C 0.303 175.043 174.900 -0.268 0.000 1.451 19 G CA -0.717 44.270 45.100 -0.190 0.000 1.059 19 G HN 0.246 nan 8.290 nan 0.000 0.550 20 Y N 0.530 120.759 120.300 -0.118 0.000 2.114 20 Y HA -0.079 4.095 4.550 -0.627 0.000 0.284 20 Y C 3.072 178.853 175.900 -0.199 0.000 1.143 20 Y CA 1.802 59.797 58.100 -0.175 0.000 1.135 20 Y CB -0.640 37.750 38.460 -0.116 0.000 0.980 20 Y HN 0.447 nan 8.280 nan 0.000 0.499 21 G N -0.551 108.268 108.800 0.032 0.000 2.418 21 G HA2 -0.244 3.340 3.960 -0.626 0.000 0.217 21 G HA3 -0.244 3.340 3.960 -0.626 0.000 0.217 21 G C 1.886 176.742 174.900 -0.073 0.000 1.158 21 G CA 1.062 46.147 45.100 -0.024 0.000 0.771 21 G HN 0.489 nan 8.290 nan 0.000 0.545 22 A N 1.173 123.953 122.820 -0.068 0.000 1.902 22 A HA 0.269 4.213 4.320 -0.626 0.000 0.217 22 A C 2.831 180.332 177.584 -0.139 0.000 1.181 22 A CA 2.316 54.302 52.037 -0.084 0.000 0.623 22 A CB -0.837 18.126 19.000 -0.062 0.000 0.818 22 A HN 0.788 nan 8.150 nan 0.000 0.443 23 A N -0.579 122.136 122.820 -0.174 0.000 1.877 23 A HA -0.005 3.940 4.320 -0.626 0.000 0.216 23 A C 2.247 179.717 177.584 -0.190 0.000 1.186 23 A CA 1.824 53.756 52.037 -0.174 0.000 0.620 23 A CB -1.001 17.868 19.000 -0.218 0.000 0.822 23 A HN 0.390 nan 8.150 nan 0.000 0.443 24 V N 0.072 119.771 119.914 -0.359 0.000 2.295 24 V HA -0.242 3.502 4.120 -0.626 0.000 0.246 24 V C 2.825 178.824 176.094 -0.159 0.000 1.049 24 V CA 2.402 64.506 62.300 -0.327 0.000 1.024 24 V CB -0.899 30.703 31.823 -0.368 0.000 0.648 24 V HN 0.577 nan 8.190 nan 0.000 0.447 25 S N 0.386 115.960 115.700 -0.209 0.000 2.359 25 S HA -0.202 3.892 4.470 -0.626 0.000 0.224 25 S C 2.209 176.595 174.600 -0.355 0.000 1.035 25 S CA 1.516 59.526 58.200 -0.317 0.000 1.018 25 S CB -0.579 62.389 63.200 -0.386 0.000 0.876 25 S HN 0.662 nan 8.310 nan 0.000 0.448 26 A N 1.294 123.957 122.820 -0.261 0.000 1.933 26 A HA -0.021 3.923 4.320 -0.626 0.000 0.218 26 A C 2.115 179.621 177.584 -0.129 0.000 1.175 26 A CA 1.292 53.206 52.037 -0.205 0.000 0.628 26 A CB -0.650 18.267 19.000 -0.139 0.000 0.814 26 A HN 0.405 nan 8.150 nan 0.000 0.444 27 L N -0.297 120.888 121.223 -0.062 0.000 1.994 27 L HA -0.131 3.834 4.340 -0.626 0.000 0.208 27 L C 2.346 179.192 176.870 -0.041 0.000 1.071 27 L CA 1.932 56.768 54.840 -0.008 0.000 0.745 27 L CB -0.577 41.550 42.059 0.114 0.000 0.892 27 L HN 0.228 nan 8.230 nan 0.000 0.431 28 R N -0.208 120.257 120.500 -0.057 0.000 2.092 28 R HA -0.056 3.909 4.340 -0.626 0.000 0.231 28 R C 2.343 178.575 176.300 -0.113 0.000 1.119 28 R CA 1.501 57.557 56.100 -0.072 0.000 0.970 28 R CB -1.223 29.032 30.300 -0.075 0.000 0.864 28 R HN 0.427 nan 8.270 nan 0.000 0.440 29 L N -0.188 120.928 121.223 -0.179 0.000 2.017 29 L HA -0.103 3.861 4.340 -0.626 0.000 0.208 29 L C 2.513 179.318 176.870 -0.108 0.000 1.073 29 L CA 1.647 56.376 54.840 -0.186 0.000 0.745 29 L CB -0.927 40.962 42.059 -0.282 0.000 0.894 29 L HN 0.301 nan 8.230 nan 0.000 0.432 30 G N -0.623 108.120 108.800 -0.094 0.000 2.418 30 G HA2 -0.239 3.346 3.960 -0.626 0.000 0.217 30 G HA3 -0.239 3.346 3.960 -0.626 0.000 0.217 30 G C 1.411 176.284 174.900 -0.045 0.000 1.158 30 G CA 0.551 45.615 45.100 -0.060 0.000 0.771 30 G HN 0.410 nan 8.290 nan 0.000 0.545 31 E N 0.380 120.553 120.200 -0.046 0.000 2.268 31 E HA 0.045 4.020 4.350 -0.626 0.000 0.195 31 E C 2.525 179.106 176.600 -0.032 0.000 0.995 31 E CA 0.564 56.943 56.400 -0.035 0.000 0.836 31 E CB -0.056 29.625 29.700 -0.032 0.000 0.763 31 E HN 0.435 nan 8.360 nan 0.000 0.491 32 A N 0.110 122.905 122.820 -0.042 0.000 2.251 32 A HA 0.298 4.242 4.320 -0.626 0.000 0.209 32 A C 1.599 179.170 177.584 -0.022 0.000 1.187 32 A CA 0.662 52.678 52.037 -0.036 0.000 0.823 32 A CB -0.179 18.788 19.000 -0.056 0.000 0.846 32 A HN 0.297 nan 8.150 nan 0.000 0.486 33 G N -1.416 107.372 108.800 -0.019 0.000 2.143 33 G HA2 -0.197 3.388 3.960 -0.626 0.000 0.249 33 G HA3 -0.197 3.388 3.960 -0.626 0.000 0.249 33 G C 0.089 174.995 174.900 0.010 0.000 0.981 33 G CA 0.150 45.248 45.100 -0.003 0.000 0.665 33 G HN 0.816 nan 8.290 nan 0.000 0.528 34 V N 1.194 121.108 119.914 -0.000 0.000 2.368 34 V HA 0.448 4.192 4.120 -0.626 0.000 0.266 34 V C 0.796 176.899 176.094 0.015 0.000 1.045 34 V CA -0.479 61.838 62.300 0.028 0.000 0.899 34 V CB 1.515 33.349 31.823 0.019 0.000 1.006 34 V HN 0.462 nan 8.190 nan 0.000 0.470 35 Q N 4.073 123.891 119.800 0.029 0.000 2.255 35 Q HA 0.163 4.128 4.340 -0.626 0.000 0.280 35 Q C -0.108 175.888 176.000 -0.007 0.000 1.068 35 Q CA 0.809 56.615 55.803 0.004 0.000 0.911 35 Q CB 0.449 29.192 28.738 0.008 0.000 1.157 35 Q HN 0.856 nan 8.270 nan 0.000 0.380 36 T N 4.847 119.384 114.554 -0.028 0.000 2.841 36 T HA 0.535 4.510 4.350 -0.626 0.000 0.283 36 T C -1.370 173.300 174.700 -0.049 0.000 1.000 36 T CA -0.670 61.407 62.100 -0.038 0.000 0.977 36 T CB 0.938 69.763 68.868 -0.071 0.000 0.979 36 T HN 0.549 nan 8.240 nan 0.000 0.446 37 L N 3.993 125.188 121.223 -0.047 0.000 2.305 37 L HA 0.646 4.610 4.340 -0.626 0.000 0.284 37 L C -0.792 176.048 176.870 -0.049 0.000 1.013 37 L CA -0.523 54.283 54.840 -0.058 0.000 0.819 37 L CB 0.937 42.955 42.059 -0.068 0.000 1.227 37 L HN 0.663 nan 8.230 nan 0.000 0.417 38 M N 6.391 125.956 119.600 -0.059 0.000 2.209 38 M HA 0.417 4.522 4.480 -0.626 0.000 0.355 38 M C -1.033 175.234 176.300 -0.055 0.000 1.171 38 M CA -0.332 54.938 55.300 -0.049 0.000 1.069 38 M CB 1.354 33.923 32.600 -0.052 0.000 1.622 38 M HN 0.462 nan 8.290 nan 0.000 0.459 39 L N 2.871 124.075 121.223 -0.031 0.000 2.298 39 L HA 0.439 4.404 4.340 -0.626 0.000 0.284 39 L C -0.356 176.524 176.870 0.017 0.000 1.013 39 L CA -0.525 54.305 54.840 -0.017 0.000 0.824 39 L CB 1.243 43.308 42.059 0.011 0.000 1.221 39 L HN 0.580 nan 8.230 nan 0.000 0.418 40 E N 3.533 123.754 120.200 0.035 0.000 2.176 40 E HA 0.273 4.247 4.350 -0.626 0.000 0.267 40 E C 0.489 177.149 176.600 0.100 0.000 0.893 40 E CA -0.656 55.772 56.400 0.048 0.000 0.761 40 E CB 1.626 31.348 29.700 0.036 0.000 1.133 40 E HN 0.595 nan 8.360 nan 0.000 0.409 41 M N 2.137 121.785 119.600 0.081 0.000 2.319 41 M HA 0.271 4.375 4.480 -0.626 0.000 0.265 41 M C 0.916 177.366 176.300 0.251 0.000 1.068 41 M CA 0.963 56.350 55.300 0.145 0.000 1.118 41 M CB 0.047 32.704 32.600 0.095 0.000 1.395 41 M HN 0.334 nan 8.290 nan 0.000 0.435 42 G N 0.807 109.697 108.800 0.149 0.000 2.525 42 G HA2 0.430 4.015 3.960 -0.626 0.000 0.287 42 G HA3 0.430 4.015 3.960 -0.626 0.000 0.287 42 G C -0.876 174.151 174.900 0.210 0.000 1.350 42 G CA -0.777 44.494 45.100 0.285 0.000 1.039 42 G HN 0.457 nan 8.290 nan 0.000 0.513 43 Q N -1.293 118.604 119.800 0.161 0.000 2.212 43 Q HA 0.418 4.383 4.340 -0.626 0.000 0.238 43 Q C -0.896 175.028 176.000 -0.126 0.000 0.955 43 Q CA -0.814 54.895 55.803 -0.155 0.000 0.906 43 Q CB 2.132 30.464 28.738 -0.676 0.000 1.215 43 Q HN 0.319 nan 8.270 nan 0.000 0.478 44 L N 1.277 122.398 121.223 -0.171 0.000 2.261 44 L HA 0.251 4.215 4.340 -0.626 0.000 0.289 44 L C -1.536 175.238 176.870 -0.160 0.000 1.059 44 L CA -0.011 54.797 54.840 -0.053 0.000 0.816 44 L CB 0.152 42.182 42.059 -0.047 0.000 1.191 44 L HN 0.486 nan 8.230 nan 0.000 0.431 45 W N 6.312 127.625 121.300 0.022 0.000 2.430 45 W HA 0.325 4.612 4.660 -0.623 0.000 0.380 45 W C 0.819 177.246 176.519 -0.153 0.000 1.045 45 W CA -0.180 57.133 57.345 -0.052 0.000 1.547 45 W CB -0.002 29.485 29.460 0.045 0.000 1.554 45 W HN 0.805 nan 8.180 nan 0.000 0.378 46 N N -0.170 118.502 118.700 -0.047 0.000 2.110 46 N HA 0.016 4.380 4.740 -0.626 0.000 0.230 46 N C -0.351 175.107 175.510 -0.087 0.000 1.353 46 N CA -0.456 52.553 53.050 -0.069 0.000 0.807 46 N CB 0.372 38.834 38.487 -0.042 0.000 1.244 46 N HN 0.045 nan 8.380 nan 0.000 0.504 47 Q N 2.218 121.956 119.800 -0.103 0.000 2.322 47 Q HA 0.420 4.385 4.340 -0.626 0.000 0.265 47 Q C -2.605 173.352 176.000 -0.071 0.000 0.985 47 Q CA -1.779 53.974 55.803 -0.084 0.000 0.849 47 Q CB 2.131 30.814 28.738 -0.091 0.000 1.274 47 Q HN 0.248 nan 8.270 nan 0.000 0.449 48 P HA 0.055 nan 4.420 nan 0.000 0.268 48 P C 0.072 177.359 177.300 -0.023 0.000 1.204 48 P CA 0.149 63.225 63.100 -0.039 0.000 0.768 48 P CB 0.894 32.578 31.700 -0.027 0.000 0.842 49 G N 3.075 111.872 108.800 -0.005 0.000 2.509 49 G HA2 0.274 3.859 3.960 -0.626 0.000 0.269 49 G HA3 0.274 3.859 3.960 -0.626 0.000 0.269 49 G C -1.572 173.322 174.900 -0.010 0.000 1.416 49 G CA -1.044 44.055 45.100 -0.002 0.000 1.052 49 G HN 0.231 nan 8.290 nan 0.000 0.542 50 P HA -0.047 nan 4.420 nan 0.000 0.218 50 P C 0.754 178.052 177.300 -0.004 0.000 1.146 50 P CA 1.549 64.638 63.100 -0.019 0.000 0.813 50 P CB 0.132 31.813 31.700 -0.032 0.000 0.778 51 D N -2.737 117.667 120.400 0.008 0.000 2.342 51 D HA 0.164 4.429 4.640 -0.626 0.000 0.221 51 D C 1.363 177.678 176.300 0.024 0.000 1.101 51 D CA 0.280 54.292 54.000 0.019 0.000 0.837 51 D CB -0.818 40.000 40.800 0.031 0.000 0.938 51 D HN 0.180 nan 8.370 nan 0.000 0.508 52 G N -0.116 108.693 108.800 0.015 0.000 2.179 52 G HA2 -0.283 3.301 3.960 -0.626 0.000 0.260 52 G HA3 -0.283 3.301 3.960 -0.626 0.000 0.260 52 G C 0.041 174.951 174.900 0.016 0.000 0.977 52 G CA -0.024 45.085 45.100 0.016 0.000 0.641 52 G HN 0.429 nan 8.290 nan 0.000 0.533 53 N N -0.577 118.134 118.700 0.019 0.000 2.430 53 N HA 0.626 4.991 4.740 -0.626 0.000 0.298 53 N C 1.623 177.116 175.510 -0.029 0.000 1.130 53 N CA -0.505 52.548 53.050 0.004 0.000 0.894 53 N CB 1.451 39.967 38.487 0.047 0.000 1.209 53 N HN 0.022 nan 8.380 nan 0.000 0.503 54 I N 0.163 120.655 120.570 -0.130 0.000 2.193 54 I HA -0.079 3.715 4.170 -0.626 0.000 0.240 54 I C 0.126 176.138 176.117 -0.174 0.000 1.084 54 I CA 1.289 62.443 61.300 -0.244 0.000 1.365 54 I CB 0.015 37.671 38.000 -0.574 0.000 1.064 54 I HN 0.293 nan 8.210 nan 0.000 0.410 55 F N 0.459 120.466 119.950 0.096 0.000 2.470 55 F HA 0.347 4.499 4.527 -0.625 0.000 0.329 55 F C 0.511 176.343 175.800 0.053 0.000 1.072 55 F CA -1.943 56.080 58.000 0.039 0.000 0.989 55 F CB 0.577 39.548 39.000 -0.049 0.000 1.193 55 F HN 0.066 nan 8.300 nan 0.000 0.481 56 C N 0.109 119.568 119.300 0.266 0.000 2.398 56 C HA 0.908 4.993 4.460 -0.626 0.000 0.364 56 C C 0.661 175.801 174.990 0.250 0.000 1.219 56 C CA -0.692 58.434 59.018 0.179 0.000 2.312 56 C CB 0.348 28.132 27.740 0.073 0.000 2.428 56 C HN 1.026 nan 8.230 nan 0.000 0.564 57 G N 1.417 110.341 108.800 0.207 0.000 2.557 57 G HA2 0.455 4.040 3.960 -0.626 0.000 0.292 57 G HA3 0.455 4.040 3.960 -0.626 0.000 0.292 57 G C 0.432 175.507 174.900 0.293 0.000 1.237 57 G CA -0.964 44.260 45.100 0.206 0.000 0.978 57 G HN 0.855 nan 8.290 nan 0.000 0.498 58 M N -0.313 119.389 119.600 0.171 0.000 2.394 58 M HA 0.101 4.205 4.480 -0.626 0.000 0.264 58 M C 1.662 178.059 176.300 0.163 0.000 1.073 58 M CA 0.599 56.000 55.300 0.168 0.000 1.111 58 M CB -0.076 32.503 32.600 -0.035 0.000 1.401 58 M HN 0.192 nan 8.290 nan 0.000 0.448 59 L N 0.207 121.500 121.223 0.116 0.000 2.585 59 L HA 0.074 4.039 4.340 -0.626 0.000 0.226 59 L C 0.516 177.435 176.870 0.082 0.000 1.113 59 L CA 1.099 55.991 54.840 0.087 0.000 0.876 59 L CB -0.745 41.353 42.059 0.065 0.000 1.072 59 L HN 0.496 nan 8.230 nan 0.000 0.468 60 N N -0.523 118.235 118.700 0.098 0.000 2.646 60 N HA 0.202 4.566 4.740 -0.626 0.000 0.303 60 N C -2.683 172.859 175.510 0.054 0.000 1.921 60 N CA -1.025 52.065 53.050 0.067 0.000 0.872 60 N CB 0.691 39.214 38.487 0.059 0.000 1.327 60 N HN -0.057 nan 8.380 nan 0.000 0.492 61 P HA 0.122 nan 4.420 nan 0.000 0.271 61 P C -0.944 176.303 177.300 -0.087 0.000 1.216 61 P CA 0.475 63.535 63.100 -0.067 0.000 0.776 61 P CB 1.334 32.997 31.700 -0.061 0.000 0.881 62 D N 1.464 121.784 120.400 -0.133 0.000 2.904 62 D HA 0.151 4.416 4.640 -0.626 0.000 0.290 62 D C 1.119 177.346 176.300 -0.122 0.000 1.180 62 D CA -0.731 53.207 54.000 -0.103 0.000 1.065 62 D CB 0.176 40.928 40.800 -0.079 0.000 1.386 62 D HN 0.276 nan 8.370 nan 0.000 0.599 63 K N -0.170 120.153 120.400 -0.129 0.000 2.211 63 K HA -0.110 3.835 4.320 -0.626 0.000 0.204 63 K C 1.572 178.195 176.600 0.038 0.000 1.047 63 K CA 0.928 57.144 56.287 -0.117 0.000 0.935 63 K CB -0.173 32.162 32.500 -0.274 0.000 0.728 63 K HN 0.192 nan 8.250 nan 0.000 0.452 64 R N 1.168 121.697 120.500 0.050 0.000 2.237 64 R HA -0.048 3.916 4.340 -0.626 0.000 0.219 64 R C 2.401 178.787 176.300 0.143 0.000 1.080 64 R CA 1.358 57.665 56.100 0.344 0.000 0.995 64 R CB -0.174 30.334 30.300 0.345 0.000 0.875 64 R HN 0.498 nan 8.270 nan 0.000 0.462 65 S N -1.041 114.582 115.700 -0.128 0.000 2.489 65 S HA 0.030 4.125 4.470 -0.626 0.000 0.228 65 S C 0.845 175.367 174.600 -0.130 0.000 0.995 65 S CA -0.033 57.895 58.200 -0.453 0.000 0.934 65 S CB 0.371 62.862 63.200 -1.182 0.000 0.771 65 S HN 0.036 nan 8.310 nan 0.000 0.522 66 S N 0.047 115.761 115.700 0.023 0.000 2.548 66 S HA 0.441 4.536 4.470 -0.626 0.000 0.286 66 S C -1.727 172.977 174.600 0.174 0.000 1.098 66 S CA -0.856 57.418 58.200 0.124 0.000 0.930 66 S CB 1.034 64.281 63.200 0.078 0.000 1.070 66 S HN 0.566 nan 8.310 nan 0.000 0.480 67 W N 6.245 127.572 121.300 0.046 0.000 2.422 67 W HA 0.291 4.575 4.660 -0.627 0.000 0.349 67 W C -1.177 175.412 176.519 0.117 0.000 1.062 67 W CA -0.616 56.752 57.345 0.039 0.000 1.497 67 W CB -0.498 29.049 29.460 0.144 0.000 1.407 67 W HN 0.859 nan 8.180 nan 0.000 0.393 68 F N 3.474 123.278 119.950 -0.242 0.000 2.866 68 F HA -0.328 3.824 4.527 -0.625 0.000 0.254 68 F C 0.336 176.112 175.800 -0.040 0.000 1.009 68 F CA 1.094 58.968 58.000 -0.210 0.000 0.907 68 F CB -1.093 37.674 39.000 -0.387 0.000 0.859 68 F HN 0.146 nan 8.300 nan 0.000 0.842 69 K N 0.685 121.133 120.400 0.079 0.000 2.328 69 K HA 0.437 4.381 4.320 -0.626 0.000 0.246 69 K C 0.666 177.301 176.600 0.057 0.000 0.955 69 K CA -0.718 55.622 56.287 0.088 0.000 0.817 69 K CB 1.318 33.874 32.500 0.094 0.000 1.208 69 K HN 0.133 nan 8.250 nan 0.000 0.432 70 N N 0.540 119.274 118.700 0.057 0.000 2.280 70 N HA 0.009 4.373 4.740 -0.626 0.000 0.192 70 N C -0.083 175.448 175.510 0.035 0.000 1.109 70 N CA -0.062 53.012 53.050 0.041 0.000 0.855 70 N CB 0.590 39.101 38.487 0.041 0.000 0.974 70 N HN 0.460 nan 8.380 nan 0.000 0.482 71 R N -0.237 120.289 120.500 0.044 0.000 2.594 71 R HA 0.243 4.208 4.340 -0.626 0.000 0.265 71 R C -1.112 175.222 176.300 0.056 0.000 1.070 71 R CA -0.455 55.672 56.100 0.045 0.000 0.909 71 R CB 0.998 31.333 30.300 0.058 0.000 1.243 71 R HN 0.185 nan 8.270 nan 0.000 0.455 72 T N -0.209 114.370 114.554 0.043 0.000 2.828 72 T HA 0.357 4.332 4.350 -0.626 0.000 0.290 72 T C -0.081 174.688 174.700 0.115 0.000 1.019 72 T CA -0.504 61.625 62.100 0.048 0.000 1.031 72 T CB 1.160 70.029 68.868 0.002 0.000 1.001 72 T HN 0.559 nan 8.240 nan 0.000 0.531 73 E N -0.263 120.040 120.200 0.172 0.000 2.336 73 E HA 0.584 4.559 4.350 -0.626 0.000 0.267 73 E C -0.773 175.990 176.600 0.272 0.000 0.906 73 E CA -1.402 55.142 56.400 0.239 0.000 0.781 73 E CB 2.227 32.092 29.700 0.276 0.000 1.261 73 E HN 0.897 nan 8.360 nan 0.000 0.436 74 A N 2.381 125.366 122.820 0.274 0.000 2.354 74 A HA 0.476 4.421 4.320 -0.626 0.000 0.269 74 A C -2.298 175.423 177.584 0.228 0.000 1.109 74 A CA -1.281 50.896 52.037 0.232 0.000 0.800 74 A CB -0.151 18.966 19.000 0.195 0.000 1.045 74 A HN 0.290 nan 8.150 nan 0.000 0.489 75 P HA 0.108 nan 4.420 nan 0.000 0.265 75 P C -0.235 177.125 177.300 0.100 0.000 1.193 75 P CA -0.257 62.881 63.100 0.062 0.000 0.765 75 P CB 0.266 31.948 31.700 -0.031 0.000 0.823 76 L N 3.472 124.727 121.223 0.053 0.000 2.667 76 L HA 0.161 4.126 4.340 -0.626 0.000 0.278 76 L C 1.431 178.381 176.870 0.133 0.000 1.217 76 L CA 2.139 57.014 54.840 0.057 0.000 0.935 76 L CB -1.157 40.778 42.059 -0.207 0.000 1.193 76 L HN 0.801 nan 8.230 nan 0.000 0.493 77 G N 2.494 111.450 108.800 0.259 0.000 2.194 77 G HA2 -0.264 3.321 3.960 -0.626 0.000 0.236 77 G HA3 -0.264 3.321 3.960 -0.626 0.000 0.236 77 G C 0.818 175.808 174.900 0.149 0.000 0.987 77 G CA 0.289 45.475 45.100 0.143 0.000 0.635 77 G HN 0.669 nan 8.290 nan 0.000 0.520 78 S N -0.403 115.425 115.700 0.213 0.000 2.650 78 S HA 0.363 4.457 4.470 -0.626 0.000 0.240 78 S C 1.166 175.943 174.600 0.294 0.000 1.007 78 S CA 0.308 58.707 58.200 0.331 0.000 0.984 78 S CB 0.057 63.377 63.200 0.199 0.000 0.910 78 S HN 0.510 nan 8.310 nan 0.000 0.509 79 F N 2.744 122.734 119.950 0.068 0.000 2.120 79 F HA -0.147 4.004 4.527 -0.627 0.000 0.300 79 F C 1.574 177.310 175.800 -0.107 0.000 1.095 79 F CA 1.584 59.587 58.000 0.004 0.000 1.249 79 F CB -0.245 38.749 39.000 -0.010 0.000 0.995 79 F HN 0.184 nan 8.300 nan 0.000 0.480 80 L N -1.114 119.996 121.223 -0.189 0.000 2.127 80 L HA -0.250 3.715 4.340 -0.626 0.000 0.211 80 L C 2.003 178.438 176.870 -0.726 0.000 1.089 80 L CA 1.171 55.630 54.840 -0.636 0.000 0.757 80 L CB -0.628 40.700 42.059 -1.217 0.000 0.899 80 L HN 0.395 nan 8.230 nan 0.000 0.434 81 W N -2.019 119.220 121.300 -0.102 0.000 2.842 81 W HA 0.146 4.624 4.660 -0.304 0.000 0.267 81 W C 1.557 178.006 176.519 -0.117 0.000 1.219 81 W CA -0.175 57.111 57.345 -0.099 0.000 1.458 81 W CB 0.213 29.628 29.460 -0.075 0.000 1.006 81 W HN 0.088 nan 8.180 nan 0.000 0.603 82 L N 0.287 121.555 121.223 0.074 0.000 2.616 82 L HA 0.045 4.010 4.340 -0.626 0.000 0.229 82 L C 1.681 178.486 176.870 -0.108 0.000 1.110 82 L CA 1.198 56.045 54.840 0.013 0.000 0.884 82 L CB -0.664 41.440 42.059 0.074 0.000 1.115 82 L HN -0.221 nan 8.230 nan 0.000 0.481 83 D N -0.777 119.420 120.400 -0.338 0.000 2.218 83 D HA -0.173 4.091 4.640 -0.626 0.000 0.204 83 D C 2.289 178.452 176.300 -0.229 0.000 0.976 83 D CA 0.815 54.544 54.000 -0.451 0.000 0.853 83 D CB 0.263 40.396 40.800 -1.112 0.000 0.939 83 D HN 0.069 nan 8.370 nan 0.000 0.481 84 V N 0.152 119.961 119.914 -0.175 0.000 2.568 84 V HA -0.163 3.582 4.120 -0.626 0.000 0.253 84 V C 2.075 178.141 176.094 -0.046 0.000 1.072 84 V CA 1.906 64.150 62.300 -0.092 0.000 1.084 84 V CB -0.125 31.661 31.823 -0.062 0.000 0.676 84 V HN 0.366 nan 8.190 nan 0.000 0.469 85 V N -2.293 117.603 119.914 -0.031 0.000 3.647 85 V HA 0.262 4.007 4.120 -0.626 0.000 0.279 85 V C 0.827 176.924 176.094 0.004 0.000 1.314 85 V CA 0.005 62.305 62.300 -0.001 0.000 1.125 85 V CB -1.424 30.414 31.823 0.024 0.000 0.907 85 V HN 0.571 nan 8.190 nan 0.000 0.434 86 N N 2.160 120.855 118.700 -0.008 0.000 2.492 86 N HA 0.364 4.729 4.740 -0.626 0.000 0.260 86 N C -0.350 175.165 175.510 0.009 0.000 1.215 86 N CA -0.135 52.923 53.050 0.013 0.000 0.923 86 N CB 0.413 38.913 38.487 0.023 0.000 1.092 86 N HN 0.306 nan 8.380 nan 0.000 0.448 87 R N 1.336 121.842 120.500 0.011 0.000 2.808 87 R HA 0.362 4.327 4.340 -0.626 0.000 0.272 87 R C -0.901 175.403 176.300 0.007 0.000 0.995 87 R CA -0.929 55.174 56.100 0.004 0.000 0.917 87 R CB 0.765 31.061 30.300 -0.006 0.000 1.217 87 R HN 0.548 nan 8.270 nan 0.000 0.471 88 N N 1.736 120.440 118.700 0.006 0.000 2.518 88 N HA 0.337 4.701 4.740 -0.626 0.000 0.266 88 N C 0.226 175.732 175.510 -0.007 0.000 1.196 88 N CA 0.103 53.158 53.050 0.008 0.000 0.947 88 N CB 0.668 39.160 38.487 0.009 0.000 1.098 88 N HN 0.457 nan 8.380 nan 0.000 0.450 89 I N -2.656 117.910 120.570 -0.007 0.000 3.074 89 I HA 0.498 4.292 4.170 -0.626 0.000 0.310 89 I C -0.933 175.174 176.117 -0.017 0.000 1.153 89 I CA -1.099 60.185 61.300 -0.026 0.000 0.993 89 I CB 2.169 40.145 38.000 -0.039 0.000 1.237 89 I HN 0.027 nan 8.210 nan 0.000 0.443 90 D N 3.377 123.757 120.400 -0.033 0.000 2.308 90 D HA 0.311 4.575 4.640 -0.626 0.000 0.251 90 D C -2.435 173.867 176.300 0.002 0.000 1.127 90 D CA -0.901 53.092 54.000 -0.011 0.000 0.876 90 D CB 1.186 41.972 40.800 -0.024 0.000 1.176 90 D HN 0.329 nan 8.370 nan 0.000 0.446 91 P HA 0.013 nan 4.420 nan 0.000 0.262 91 P C -1.004 176.240 177.300 -0.092 0.000 1.199 91 P CA 0.461 63.585 63.100 0.039 0.000 0.763 91 P CB 0.073 31.896 31.700 0.205 0.000 0.790 92 Y N 2.558 122.445 120.300 -0.688 0.000 2.615 92 Y HA 0.569 4.743 4.550 -0.626 0.000 0.341 92 Y C -0.480 174.529 175.900 -1.484 0.000 1.089 92 Y CA -1.434 56.157 58.100 -0.848 0.000 1.049 92 Y CB 1.458 39.701 38.460 -0.361 0.000 1.296 92 Y HN 0.334 nan 8.280 nan 0.000 0.470 93 A N 2.993 124.731 122.820 -1.805 0.000 3.029 93 A HA 0.408 4.352 4.320 -0.626 0.000 0.251 93 A C 0.720 178.072 177.584 -0.387 0.000 1.749 93 A CA 0.443 51.693 52.037 -1.312 0.000 1.386 93 A CB -1.720 16.830 19.000 -0.751 0.000 1.043 93 A HN 0.961 nan 8.150 nan 0.000 0.638 94 G N -1.053 107.724 108.800 -0.040 0.000 2.716 94 G HA2 0.265 3.850 3.960 -0.626 0.000 0.251 94 G HA3 0.265 3.850 3.960 -0.626 0.000 0.251 94 G C 1.033 176.310 174.900 0.628 0.000 1.224 94 G CA 0.204 45.591 45.100 0.478 0.000 0.891 94 G HN 0.562 nan 8.290 nan 0.000 0.561 95 V N -0.147 119.946 119.914 0.298 0.000 2.788 95 V HA 0.196 3.940 4.120 -0.626 0.000 0.251 95 V C 0.757 176.889 176.094 0.063 0.000 1.068 95 V CA 0.811 63.115 62.300 0.006 0.000 1.090 95 V CB -0.306 31.119 31.823 -0.664 0.000 0.710 95 V HN 0.427 nan 8.190 nan 0.000 0.467 96 L N 0.989 122.303 121.223 0.152 0.000 2.313 96 L HA 0.619 4.584 4.340 -0.626 0.000 0.283 96 L C -1.043 175.969 176.870 0.237 0.000 1.013 96 L CA -0.200 54.747 54.840 0.179 0.000 0.816 96 L CB 1.527 43.741 42.059 0.257 0.000 1.236 96 L HN 0.075 nan 8.230 nan 0.000 0.419 97 D N 3.807 124.309 120.400 0.170 0.000 2.391 97 D HA 0.305 4.569 4.640 -0.626 0.000 0.245 97 D C -0.876 175.451 176.300 0.044 0.000 1.069 97 D CA -0.370 53.724 54.000 0.156 0.000 0.831 97 D CB 1.334 42.145 40.800 0.019 0.000 1.204 97 D HN 0.544 nan 8.370 nan 0.000 0.503 98 R N 4.147 124.633 120.500 -0.022 0.000 2.215 98 R HA 0.393 4.358 4.340 -0.626 0.000 0.337 98 R C -1.199 174.984 176.300 -0.196 0.000 1.010 98 R CA -0.594 55.318 56.100 -0.314 0.000 0.871 98 R CB 0.520 30.610 30.300 -0.350 0.000 1.134 98 R HN 0.197 nan 8.270 nan 0.000 0.477 99 V N 5.503 125.287 119.914 -0.216 0.000 2.368 99 V HA 0.160 3.904 4.120 -0.626 0.000 0.266 99 V C -0.118 175.745 176.094 -0.386 0.000 1.045 99 V CA -0.705 61.436 62.300 -0.264 0.000 0.899 99 V CB 0.978 32.652 31.823 -0.248 0.000 1.006 99 V HN 0.719 nan 8.190 nan 0.000 0.470 100 N N 4.938 123.425 118.700 -0.355 0.000 2.439 100 N HA 0.406 4.770 4.740 -0.626 0.000 0.249 100 N C -0.696 174.599 175.510 -0.357 0.000 1.003 100 N CA -0.115 52.775 53.050 -0.268 0.000 0.942 100 N CB 1.268 39.687 38.487 -0.115 0.000 1.115 100 N HN 0.561 nan 8.380 nan 0.000 0.505 101 Y N -0.063 120.228 120.300 -0.015 0.000 2.593 101 Y HA 0.063 4.237 4.550 -0.626 0.000 0.330 101 Y C 1.804 177.705 175.900 0.002 0.000 1.223 101 Y CA -0.842 57.243 58.100 -0.026 0.000 1.350 101 Y CB 0.691 39.098 38.460 -0.088 0.000 1.499 101 Y HN 0.409 nan 8.280 nan 0.000 0.554 102 D N -0.087 120.430 120.400 0.195 0.000 2.126 102 D HA -0.231 4.033 4.640 -0.626 0.000 0.190 102 D C 0.448 176.820 176.300 0.121 0.000 1.001 102 D CA 2.146 56.215 54.000 0.117 0.000 0.841 102 D CB 0.113 40.964 40.800 0.085 0.000 0.949 102 D HN 0.589 nan 8.370 nan 0.000 0.446 103 Q N -1.407 118.492 119.800 0.166 0.000 2.139 103 Q HA 0.305 4.270 4.340 -0.626 0.000 0.301 103 Q C -1.040 175.124 176.000 0.273 0.000 0.874 103 Q CA -0.352 55.564 55.803 0.189 0.000 1.116 103 Q CB 1.315 30.150 28.738 0.162 0.000 1.278 103 Q HN 0.204 nan 8.270 nan 0.000 0.426 104 M N 0.025 119.763 119.600 0.230 0.000 2.373 104 M HA 0.359 4.463 4.480 -0.626 0.000 0.290 104 M C -1.891 174.516 176.300 0.179 0.000 1.143 104 M CA -0.073 55.347 55.300 0.200 0.000 0.949 104 M CB 2.361 35.018 32.600 0.096 0.000 1.756 104 M HN -0.145 nan 8.290 nan 0.000 0.494 105 S N 3.065 118.866 115.700 0.170 0.000 2.530 105 S HA 0.780 4.875 4.470 -0.626 0.000 0.322 105 S C -1.145 173.545 174.600 0.150 0.000 1.085 105 S CA -0.689 57.566 58.200 0.091 0.000 1.096 105 S CB 1.163 64.417 63.200 0.090 0.000 0.988 105 S HN 0.571 nan 8.310 nan 0.000 0.466 106 V N 4.497 124.465 119.914 0.089 0.000 2.370 106 V HA 0.379 4.124 4.120 -0.626 0.000 0.283 106 V C -1.098 175.065 176.094 0.115 0.000 1.023 106 V CA -0.731 61.708 62.300 0.232 0.000 0.857 106 V CB 0.351 32.364 31.823 0.317 0.000 0.985 106 V HN 0.756 nan 8.190 nan 0.000 0.443 107 Y N 4.283 124.760 120.300 0.295 0.000 2.327 107 Y HA 0.616 4.792 4.550 -0.622 0.000 0.336 107 Y C 0.317 176.313 175.900 0.161 0.000 1.035 107 Y CA -0.670 57.564 58.100 0.224 0.000 1.165 107 Y CB 1.674 40.279 38.460 0.243 0.000 1.181 107 Y HN 0.556 nan 8.280 nan 0.000 0.494 108 V N -0.037 119.993 119.914 0.194 0.000 3.007 108 V HA 0.986 4.730 4.120 -0.626 0.000 0.311 108 V C 0.015 176.135 176.094 0.043 0.000 1.120 108 V CA -1.115 61.254 62.300 0.116 0.000 0.980 108 V CB 1.613 33.478 31.823 0.071 0.000 1.033 108 V HN 0.861 nan 8.190 nan 0.000 0.429 109 G N 2.113 110.921 108.800 0.013 0.000 2.476 109 G HA2 0.638 4.223 3.960 -0.626 0.000 0.269 109 G HA3 0.638 4.223 3.960 -0.626 0.000 0.269 109 G C -0.437 174.410 174.900 -0.089 0.000 1.195 109 G CA -0.774 44.306 45.100 -0.034 0.000 0.843 109 G HN 0.722 nan 8.290 nan 0.000 0.545 110 R N 0.879 121.330 120.500 -0.081 0.000 2.467 110 R HA 0.641 4.605 4.340 -0.626 0.000 0.299 110 R C 0.012 176.387 176.300 0.125 0.000 1.120 110 R CA -0.275 55.726 56.100 -0.165 0.000 0.940 110 R CB 1.189 31.186 30.300 -0.505 0.000 1.161 110 R HN 1.084 nan 8.270 nan 0.000 0.506 111 G N 0.018 108.892 108.800 0.125 0.000 2.337 111 G HA2 0.005 3.590 3.960 -0.626 0.000 0.298 111 G HA3 0.005 3.590 3.960 -0.626 0.000 0.298 111 G C -1.397 173.606 174.900 0.171 0.000 1.335 111 G CA -0.935 44.349 45.100 0.308 0.000 0.875 111 G HN 0.124 nan 8.290 nan 0.000 0.579 112 V N 1.650 121.684 119.914 0.199 0.000 2.409 112 V HA 0.452 4.196 4.120 -0.626 0.000 0.270 112 V C 1.593 177.720 176.094 0.054 0.000 1.019 112 V CA 2.128 64.483 62.300 0.092 0.000 1.066 112 V CB 0.005 31.875 31.823 0.079 0.000 1.021 112 V HN 2.526 nan 8.190 nan 0.000 0.476 113 G N 3.221 111.999 108.800 -0.036 0.000 2.296 113 G HA2 0.092 3.677 3.960 -0.626 0.000 0.188 113 G HA3 0.092 3.677 3.960 -0.626 0.000 0.188 113 G C 0.837 175.626 174.900 -0.185 0.000 1.000 113 G CA 0.120 45.141 45.100 -0.132 0.000 0.672 113 G HN 1.772 nan 8.290 nan 0.000 0.483 114 G N 0.030 108.773 108.800 -0.096 0.000 2.634 114 G HA2 0.057 3.642 3.960 -0.626 0.000 0.309 114 G HA3 0.057 3.642 3.960 -0.626 0.000 0.309 114 G C 1.815 176.666 174.900 -0.081 0.000 1.265 114 G CA 2.050 47.099 45.100 -0.085 0.000 0.998 114 G HN 1.850 nan 8.290 nan 0.000 0.551 115 G N 0.019 108.802 108.800 -0.027 0.000 2.470 115 G HA2 0.096 3.680 3.960 -0.626 0.000 0.220 115 G HA3 0.096 3.680 3.960 -0.626 0.000 0.220 115 G C 2.181 177.090 174.900 0.015 0.000 1.121 115 G CA 2.295 47.420 45.100 0.043 0.000 0.766 115 G HN 1.950 nan 8.290 nan 0.000 0.553 116 S N 0.253 115.882 115.700 -0.117 0.000 2.442 116 S HA 0.035 4.129 4.470 -0.626 0.000 0.236 116 S C 2.210 176.714 174.600 -0.160 0.000 1.007 116 S CA 0.743 58.832 58.200 -0.185 0.000 0.965 116 S CB -0.259 62.647 63.200 -0.491 0.000 0.773 116 S HN 0.326 nan 8.310 nan 0.000 0.504 117 L N 1.167 122.288 121.223 -0.171 0.000 2.156 117 L HA 0.063 4.028 4.340 -0.626 0.000 0.208 117 L C 2.419 179.090 176.870 -0.332 0.000 1.095 117 L CA 1.106 55.800 54.840 -0.244 0.000 0.770 117 L CB -0.343 41.568 42.059 -0.247 0.000 0.914 117 L HN 0.495 nan 8.230 nan 0.000 0.439 118 V N -4.021 115.755 119.914 -0.229 0.000 3.528 118 V HA 0.158 3.902 4.120 -0.626 0.000 0.294 118 V C 0.857 176.865 176.094 -0.142 0.000 1.404 118 V CA -0.502 61.664 62.300 -0.223 0.000 1.065 118 V CB -1.044 30.670 31.823 -0.182 0.000 0.904 118 V HN 0.462 nan 8.190 nan 0.000 0.435 119 N N 0.855 119.525 118.700 -0.051 0.000 2.381 119 N HA 0.253 4.618 4.740 -0.626 0.000 0.254 119 N C 1.158 176.706 175.510 0.064 0.000 1.264 119 N CA 0.028 53.101 53.050 0.039 0.000 0.942 119 N CB 1.466 40.061 38.487 0.181 0.000 1.190 119 N HN 0.127 nan 8.380 nan 0.000 0.495 120 G N -1.711 107.164 108.800 0.125 0.000 2.848 120 G HA2 0.176 3.761 3.960 -0.626 0.000 0.208 120 G HA3 0.176 3.761 3.960 -0.626 0.000 0.208 120 G C 1.089 176.107 174.900 0.197 0.000 1.152 120 G CA 0.171 45.352 45.100 0.135 0.000 0.789 120 G HN 1.078 nan 8.290 nan 0.000 0.531 121 G N -0.201 108.771 108.800 0.287 0.000 2.175 121 G HA2 -0.347 3.237 3.960 -0.626 0.000 0.265 121 G HA3 -0.347 3.237 3.960 -0.626 0.000 0.265 121 G C 0.589 175.732 174.900 0.405 0.000 0.979 121 G CA 0.463 45.789 45.100 0.377 0.000 0.663 121 G HN 0.468 nan 8.290 nan 0.000 0.533 122 M N 1.149 120.896 119.600 0.245 0.000 2.364 122 M HA 0.412 4.516 4.480 -0.626 0.000 0.342 122 M C 0.735 176.818 176.300 -0.363 0.000 1.601 122 M CA 0.668 55.989 55.300 0.034 0.000 1.156 122 M CB 0.767 33.394 32.600 0.046 0.000 1.912 122 M HN 0.411 nan 8.290 nan 0.000 0.460 123 A N 5.262 127.933 122.820 -0.247 0.000 2.341 123 A HA 0.626 4.570 4.320 -0.626 0.000 0.326 123 A C -0.521 176.894 177.584 -0.282 0.000 1.402 123 A CA -0.583 51.200 52.037 -0.422 0.000 0.957 123 A CB 0.278 19.264 19.000 -0.023 0.000 1.151 123 A HN 0.613 nan 8.150 nan 0.000 0.533 124 V N 2.890 122.567 119.914 -0.396 0.000 2.588 124 V HA 0.304 4.048 4.120 -0.626 0.000 0.304 124 V C -0.053 175.831 176.094 -0.350 0.000 1.042 124 V CA -0.747 61.368 62.300 -0.309 0.000 0.877 124 V CB 1.773 33.378 31.823 -0.363 0.000 0.996 124 V HN 0.928 nan 8.190 nan 0.000 0.425 125 E N 5.803 125.805 120.200 -0.330 0.000 2.313 125 E HA 0.310 4.284 4.350 -0.626 0.000 0.276 125 E C -2.284 174.068 176.600 -0.413 0.000 1.031 125 E CA -1.487 54.604 56.400 -0.515 0.000 0.857 125 E CB 1.341 30.692 29.700 -0.581 0.000 1.040 125 E HN 0.497 nan 8.360 nan 0.000 0.408 126 P HA 0.011 nan 4.420 nan 0.000 0.274 126 P C -0.732 176.548 177.300 -0.034 0.000 1.237 126 P CA -0.308 62.684 63.100 -0.179 0.000 0.793 126 P CB 0.746 32.470 31.700 0.039 0.000 0.977 127 K N 2.088 122.481 120.400 -0.011 0.000 2.416 127 K HA -0.031 3.914 4.320 -0.626 0.000 0.283 127 K C 1.576 178.272 176.600 0.159 0.000 1.037 127 K CA -0.117 56.206 56.287 0.059 0.000 0.995 127 K CB 0.324 32.871 32.500 0.079 0.000 0.938 127 K HN 0.343 nan 8.250 nan 0.000 0.475 128 R N 2.406 122.889 120.500 -0.027 0.000 2.103 128 R HA -0.191 3.773 4.340 -0.626 0.000 0.242 128 R C 1.910 178.257 176.300 0.079 0.000 1.142 128 R CA 2.460 58.448 56.100 -0.187 0.000 0.960 128 R CB -0.228 29.634 30.300 -0.730 0.000 0.858 128 R HN 0.861 nan 8.270 nan 0.000 0.439 129 S N -0.784 114.967 115.700 0.085 0.000 2.400 129 S HA -0.214 3.881 4.470 -0.626 0.000 0.232 129 S C 1.889 176.636 174.600 0.245 0.000 1.025 129 S CA 1.096 59.382 58.200 0.142 0.000 0.993 129 S CB -0.641 62.638 63.200 0.131 0.000 0.808 129 S HN 0.517 nan 8.310 nan 0.000 0.478 130 Y N 1.285 121.682 120.300 0.163 0.000 2.286 130 Y HA 0.134 4.309 4.550 -0.625 0.000 0.293 130 Y C 1.972 177.971 175.900 0.165 0.000 1.124 130 Y CA 0.251 58.463 58.100 0.186 0.000 1.178 130 Y CB -0.767 37.815 38.460 0.202 0.000 1.010 130 Y HN 0.295 nan 8.280 nan 0.000 0.536 131 F N 1.191 121.193 119.950 0.085 0.000 2.126 131 F HA -0.227 3.924 4.527 -0.626 0.000 0.299 131 F C 2.100 177.903 175.800 0.005 0.000 1.096 131 F CA 2.281 60.314 58.000 0.055 0.000 1.255 131 F CB -0.270 38.900 39.000 0.282 0.000 0.997 131 F HN 0.094 nan 8.300 nan 0.000 0.479 132 E N -0.318 120.014 120.200 0.221 0.000 2.204 132 E HA -0.249 3.726 4.350 -0.626 0.000 0.194 132 E C 2.089 178.667 176.600 -0.038 0.000 0.989 132 E CA 1.186 57.652 56.400 0.111 0.000 0.824 132 E CB -0.261 29.525 29.700 0.143 0.000 0.756 132 E HN 0.610 nan 8.360 nan 0.000 0.477 133 E N 1.069 121.225 120.200 -0.075 0.000 2.046 133 E HA -0.163 3.811 4.350 -0.626 0.000 0.190 133 E C 2.230 178.697 176.600 -0.221 0.000 0.982 133 E CA 1.112 57.446 56.400 -0.110 0.000 0.800 133 E CB -0.031 29.637 29.700 -0.055 0.000 0.756 133 E HN 0.406 nan 8.360 nan 0.000 0.449 134 I N -1.711 118.619 120.570 -0.400 0.000 2.617 134 I HA 0.024 3.818 4.170 -0.626 0.000 0.256 134 I C 0.878 176.782 176.117 -0.356 0.000 1.167 134 I CA 0.709 61.766 61.300 -0.406 0.000 1.469 134 I CB 0.176 37.848 38.000 -0.546 0.000 1.098 134 I HN -0.063 nan 8.210 nan 0.000 0.436 135 L N 2.680 123.638 121.223 -0.443 0.000 2.594 135 L HA 0.385 4.349 4.340 -0.626 0.000 0.245 135 L C -1.681 175.046 176.870 -0.238 0.000 1.460 135 L CA -1.162 53.443 54.840 -0.392 0.000 0.865 135 L CB 0.911 42.590 42.059 -0.632 0.000 1.131 135 L HN -0.077 nan 8.230 nan 0.000 0.506 136 P HA -0.158 nan 4.420 nan 0.000 0.220 136 P C 1.094 178.377 177.300 -0.029 0.000 1.148 136 P CA 1.147 64.212 63.100 -0.058 0.000 0.803 136 P CB 0.223 31.895 31.700 -0.047 0.000 0.782 137 R N -0.479 119.989 120.500 -0.053 0.000 2.307 137 R HA 0.126 4.090 4.340 -0.626 0.000 0.199 137 R C 0.495 176.774 176.300 -0.035 0.000 1.000 137 R CA 0.132 56.210 56.100 -0.037 0.000 1.023 137 R CB -0.085 30.185 30.300 -0.051 0.000 0.908 137 R HN 0.112 nan 8.270 nan 0.000 0.473 138 V N 1.768 121.668 119.914 -0.024 0.000 2.481 138 V HA 0.034 3.778 4.120 -0.626 0.000 0.286 138 V C 0.140 176.314 176.094 0.134 0.000 1.042 138 V CA -0.938 61.377 62.300 0.025 0.000 0.928 138 V CB 1.731 33.594 31.823 0.066 0.000 0.986 138 V HN 0.106 nan 8.190 nan 0.000 0.462 139 D N 3.264 123.736 120.400 0.120 0.000 2.346 139 D HA 0.009 4.274 4.640 -0.626 0.000 0.260 139 D C 1.286 177.706 176.300 0.201 0.000 1.252 139 D CA 0.322 54.410 54.000 0.147 0.000 0.895 139 D CB 1.322 42.199 40.800 0.128 0.000 1.097 139 D HN 0.704 nan 8.370 nan 0.000 0.489 140 S N 2.155 118.000 115.700 0.241 0.000 2.428 140 S HA -0.128 3.967 4.470 -0.626 0.000 0.230 140 S C 1.870 176.616 174.600 0.245 0.000 1.014 140 S CA 0.489 58.859 58.200 0.284 0.000 0.957 140 S CB 0.117 63.513 63.200 0.327 0.000 0.784 140 S HN 0.360 nan 8.310 nan 0.000 0.499 141 S N 1.816 117.614 115.700 0.164 0.000 2.368 141 S HA -0.097 3.998 4.470 -0.626 0.000 0.225 141 S C 1.883 176.549 174.600 0.110 0.000 1.030 141 S CA 1.320 59.596 58.200 0.128 0.000 0.999 141 S CB -0.423 62.827 63.200 0.083 0.000 0.844 141 S HN 0.741 nan 8.310 nan 0.000 0.459 142 E N 0.451 120.713 120.200 0.103 0.000 2.110 142 E HA -0.137 3.837 4.350 -0.626 0.000 0.193 142 E C 1.958 178.585 176.600 0.045 0.000 0.988 142 E CA 0.941 57.383 56.400 0.071 0.000 0.804 142 E CB -0.026 29.784 29.700 0.183 0.000 0.745 142 E HN 0.296 nan 8.360 nan 0.000 0.458 143 M N -0.452 119.193 119.600 0.074 0.000 2.099 143 M HA -0.146 3.959 4.480 -0.626 0.000 0.262 143 M C 1.916 178.104 176.300 -0.186 0.000 1.067 143 M CA 1.547 56.756 55.300 -0.151 0.000 1.124 143 M CB -0.918 31.399 32.600 -0.470 0.000 1.353 143 M HN 0.228 nan 8.290 nan 0.000 0.410 144 Y N 0.393 120.724 120.300 0.053 0.000 2.420 144 Y HA -0.113 4.062 4.550 -0.626 0.000 0.292 144 Y C 2.155 178.084 175.900 0.047 0.000 1.119 144 Y CA 0.801 58.980 58.100 0.132 0.000 1.229 144 Y CB -0.325 38.175 38.460 0.066 0.000 1.026 144 Y HN 0.278 nan 8.280 nan 0.000 0.554 145 D N -0.751 119.710 120.400 0.102 0.000 2.183 145 D HA -0.038 4.227 4.640 -0.626 0.000 0.205 145 D C 2.063 178.318 176.300 -0.076 0.000 0.962 145 D CA 1.030 55.041 54.000 0.018 0.000 0.849 145 D CB 0.132 40.931 40.800 -0.002 0.000 0.978 145 D HN 0.277 nan 8.370 nan 0.000 0.488 146 R N -1.451 118.927 120.500 -0.203 0.000 2.306 146 R HA 0.024 3.989 4.340 -0.626 0.000 0.183 146 R C 1.825 177.879 176.300 -0.411 0.000 0.937 146 R CA 0.052 55.927 56.100 -0.375 0.000 1.118 146 R CB -0.082 29.846 30.300 -0.620 0.000 1.224 146 R HN -0.023 nan 8.270 nan 0.000 0.597 147 Y N -0.016 120.202 120.300 -0.138 0.000 2.220 147 Y HA -0.029 4.146 4.550 -0.626 0.000 0.291 147 Y C 1.858 177.604 175.900 -0.257 0.000 1.129 147 Y CA 1.085 59.048 58.100 -0.229 0.000 1.161 147 Y CB -0.417 37.841 38.460 -0.337 0.000 0.997 147 Y HN 0.018 nan 8.280 nan 0.000 0.522 148 F N -0.249 119.645 119.950 -0.094 0.000 2.146 148 F HA -0.059 4.093 4.527 -0.626 0.000 0.298 148 F C -0.419 175.346 175.800 -0.057 0.000 1.096 148 F CA 0.831 58.744 58.000 -0.146 0.000 1.275 148 F CB -2.042 36.753 39.000 -0.343 0.000 1.008 148 F HN 0.035 nan 8.300 nan 0.000 0.480 149 P HA -0.179 nan 4.420 nan 0.000 0.215 149 P C 1.636 178.978 177.300 0.070 0.000 1.153 149 P CA 1.683 64.831 63.100 0.079 0.000 0.853 149 P CB -0.108 31.613 31.700 0.034 0.000 0.788 150 R N -0.135 120.397 120.500 0.053 0.000 2.081 150 R HA -0.104 3.861 4.340 -0.626 0.000 0.235 150 R C 2.063 178.440 176.300 0.128 0.000 1.131 150 R CA 1.720 57.862 56.100 0.070 0.000 0.960 150 R CB -0.850 29.495 30.300 0.076 0.000 0.856 150 R HN 0.053 nan 8.270 nan 0.000 0.436 151 A N 1.374 124.293 122.820 0.165 0.000 1.902 151 A HA -0.214 3.730 4.320 -0.626 0.000 0.217 151 A C 2.021 179.737 177.584 0.221 0.000 1.181 151 A CA 1.571 53.749 52.037 0.236 0.000 0.623 151 A CB -0.943 18.176 19.000 0.199 0.000 0.818 151 A HN 0.576 nan 8.150 nan 0.000 0.443 152 N N -0.150 118.654 118.700 0.174 0.000 2.069 152 N HA -0.174 4.191 4.740 -0.626 0.000 0.191 152 N C 2.070 177.646 175.510 0.110 0.000 1.031 152 N CA 1.855 54.990 53.050 0.143 0.000 0.852 152 N CB -0.154 38.405 38.487 0.120 0.000 1.018 152 N HN 0.420 nan 8.380 nan 0.000 0.423 153 S N 0.351 116.100 115.700 0.082 0.000 2.355 153 S HA -0.113 3.981 4.470 -0.626 0.000 0.222 153 S C 1.960 176.561 174.600 0.001 0.000 1.031 153 S CA 1.125 59.348 58.200 0.039 0.000 0.993 153 S CB -0.235 62.978 63.200 0.021 0.000 0.859 153 S HN 0.344 nan 8.310 nan 0.000 0.453 154 M N 1.045 120.633 119.600 -0.020 0.000 2.319 154 M HA 0.225 4.329 4.480 -0.626 0.000 0.265 154 M C 1.564 177.789 176.300 -0.125 0.000 1.068 154 M CA 1.293 56.481 55.300 -0.188 0.000 1.118 154 M CB -0.395 31.933 32.600 -0.453 0.000 1.395 154 M HN 0.332 nan 8.290 nan 0.000 0.435 155 L N -0.443 120.845 121.223 0.109 0.000 2.376 155 L HA -0.002 3.963 4.340 -0.626 0.000 0.219 155 L C 0.513 177.437 176.870 0.089 0.000 1.133 155 L CA 0.285 55.241 54.840 0.192 0.000 0.816 155 L CB -0.275 41.974 42.059 0.318 0.000 0.933 155 L HN 0.334 nan 8.230 nan 0.000 0.449 156 R N -0.843 119.684 120.500 0.046 0.000 3.418 156 R HA -0.116 3.849 4.340 -0.626 0.000 0.274 156 R C -0.333 175.986 176.300 0.032 0.000 1.108 156 R CA -0.125 55.985 56.100 0.017 0.000 0.741 156 R CB -2.532 27.755 30.300 -0.021 0.000 1.223 156 R HN 0.077 nan 8.270 nan 0.000 0.434 157 V N 1.683 121.631 119.914 0.057 0.000 2.673 157 V HA 0.036 3.780 4.120 -0.626 0.000 0.303 157 V C 1.044 177.112 176.094 -0.044 0.000 1.046 157 V CA 0.812 63.127 62.300 0.025 0.000 1.126 157 V CB 0.937 32.778 31.823 0.030 0.000 0.934 157 V HN 0.592 nan 8.190 nan 0.000 0.487 158 N N 2.235 120.879 118.700 -0.094 0.000 2.697 158 N HA 0.526 4.890 4.740 -0.626 0.000 0.272 158 N C -1.335 174.058 175.510 -0.194 0.000 1.381 158 N CA -1.079 51.927 53.050 -0.073 0.000 0.797 158 N CB 1.922 40.468 38.487 0.098 0.000 1.523 158 N HN 0.618 nan 8.380 nan 0.000 0.518 159 H N -0.015 119.186 119.070 0.219 0.000 2.538 159 H HA 0.366 4.546 4.556 -0.626 0.000 0.353 159 H C -0.610 174.621 175.328 -0.163 0.000 1.109 159 H CA -0.657 55.420 56.048 0.047 0.000 1.192 159 H CB 2.163 31.887 29.762 -0.064 0.000 1.555 159 H HN 0.503 nan 8.280 nan 0.000 0.518 160 I N 1.729 121.907 120.570 -0.653 0.000 2.634 160 I HA -0.084 3.710 4.170 -0.626 0.000 0.284 160 I C 0.221 176.063 176.117 -0.459 0.000 1.124 160 I CA 0.035 60.770 61.300 -0.942 0.000 1.417 160 I CB 0.424 37.589 38.000 -1.392 0.000 1.396 160 I HN 0.613 nan 8.210 nan 0.000 0.571 161 D N 4.057 124.353 120.400 -0.174 0.000 2.371 161 D HA 0.010 4.275 4.640 -0.626 0.000 0.256 161 D C 1.354 177.638 176.300 -0.026 0.000 1.193 161 D CA 0.190 54.156 54.000 -0.057 0.000 0.881 161 D CB 1.143 41.990 40.800 0.079 0.000 1.143 161 D HN 0.659 nan 8.370 nan 0.000 0.473 162 T N 1.544 116.016 114.554 -0.137 0.000 2.746 162 T HA -0.257 3.717 4.350 -0.626 0.000 0.267 162 T C 1.805 176.605 174.700 0.167 0.000 1.039 162 T CA 1.142 63.218 62.100 -0.039 0.000 1.142 162 T CB -0.173 68.663 68.868 -0.053 0.000 0.866 162 T HN 0.312 nan 8.240 nan 0.000 0.444 163 K N 0.374 120.856 120.400 0.136 0.000 2.026 163 K HA -0.083 3.861 4.320 -0.626 0.000 0.208 163 K C 1.930 178.645 176.600 0.192 0.000 1.048 163 K CA 1.438 57.813 56.287 0.146 0.000 0.929 163 K CB -0.974 31.599 32.500 0.123 0.000 0.713 163 K HN 0.599 nan 8.250 nan 0.000 0.439 164 W N 0.247 121.596 121.300 0.082 0.000 2.358 164 W HA -0.162 4.125 4.660 -0.622 0.000 0.303 164 W C 1.823 178.435 176.519 0.154 0.000 1.208 164 W CA 1.819 59.230 57.345 0.110 0.000 1.274 164 W CB -0.660 28.868 29.460 0.112 0.000 1.138 164 W HN 0.164 nan 8.180 nan 0.000 0.515 165 F N 1.776 121.754 119.950 0.046 0.000 2.126 165 F HA -0.258 3.895 4.527 -0.624 0.000 0.299 165 F C 2.236 177.962 175.800 -0.123 0.000 1.096 165 F CA 2.412 60.340 58.000 -0.121 0.000 1.255 165 F CB -0.451 38.533 39.000 -0.026 0.000 0.997 165 F HN -0.200 nan 8.300 nan 0.000 0.479 166 E N 0.340 120.510 120.200 -0.050 0.000 2.150 166 E HA -0.171 3.804 4.350 -0.626 0.000 0.193 166 E C 1.744 178.217 176.600 -0.211 0.000 0.985 166 E CA 1.428 57.751 56.400 -0.129 0.000 0.814 166 E CB -0.428 29.308 29.700 0.060 0.000 0.752 166 E HN 0.555 nan 8.360 nan 0.000 0.466 167 D N -0.095 120.188 120.400 -0.196 0.000 2.240 167 D HA -0.036 4.229 4.640 -0.626 0.000 0.206 167 D C 0.815 176.959 176.300 -0.260 0.000 0.963 167 D CA 0.454 54.348 54.000 -0.177 0.000 0.863 167 D CB -0.295 40.457 40.800 -0.080 0.000 0.973 167 D HN -0.022 nan 8.370 nan 0.000 0.501 168 T N 1.006 115.281 114.554 -0.464 0.000 2.916 168 T HA 0.001 3.976 4.350 -0.626 0.000 0.303 168 T C 1.394 175.918 174.700 -0.294 0.000 1.025 168 T CA -0.138 61.695 62.100 -0.445 0.000 1.142 168 T CB 0.936 69.242 68.868 -0.936 0.000 0.947 168 T HN 0.191 nan 8.240 nan 0.000 0.544 169 E N 3.234 123.301 120.200 -0.221 0.000 2.268 169 E HA -0.134 3.841 4.350 -0.626 0.000 0.195 169 E C 1.184 177.611 176.600 -0.287 0.000 0.995 169 E CA 0.918 57.152 56.400 -0.277 0.000 0.836 169 E CB -0.268 29.229 29.700 -0.337 0.000 0.763 169 E HN 0.854 nan 8.360 nan 0.000 0.491 170 W N -0.093 121.108 121.300 -0.165 0.000 2.525 170 W HA -0.024 4.267 4.660 -0.615 0.000 0.259 170 W C 0.686 177.015 176.519 -0.318 0.000 1.253 170 W CA 0.399 57.628 57.345 -0.193 0.000 1.262 170 W CB -0.055 29.303 29.460 -0.170 0.000 1.122 170 W HN 0.114 nan 8.180 nan 0.000 0.607 171 Y N -0.477 119.819 120.300 -0.006 0.000 2.706 171 Y HA 0.189 4.367 4.550 -0.619 0.000 0.255 171 Y C 1.905 177.533 175.900 -0.453 0.000 1.163 171 Y CA -0.391 57.569 58.100 -0.233 0.000 1.174 171 Y CB -0.143 38.055 38.460 -0.437 0.000 1.200 171 Y HN -0.184 nan 8.280 nan 0.000 0.544 172 K N 0.816 121.126 120.400 -0.150 0.000 2.097 172 K HA -0.187 3.757 4.320 -0.626 0.000 0.205 172 K C 1.793 178.318 176.600 -0.125 0.000 1.050 172 K CA 1.987 58.172 56.287 -0.169 0.000 0.938 172 K CB -0.253 32.164 32.500 -0.139 0.000 0.718 172 K HN 0.495 nan 8.250 nan 0.000 0.442 173 F N -0.162 119.738 119.950 -0.084 0.000 2.161 173 F HA -0.084 4.070 4.527 -0.622 0.000 0.300 173 F C 1.890 177.705 175.800 0.025 0.000 1.089 173 F CA 0.920 58.883 58.000 -0.062 0.000 1.282 173 F CB -0.772 38.175 39.000 -0.089 0.000 1.010 173 F HN -0.047 nan 8.300 nan 0.000 0.485 174 A N 1.211 123.422 122.820 -1.015 0.000 1.897 174 A HA -0.045 3.900 4.320 -0.626 0.000 0.215 174 A C 2.372 179.873 177.584 -0.139 0.000 1.181 174 A CA 1.183 52.895 52.037 -0.542 0.000 0.620 174 A CB -0.691 18.094 19.000 -0.359 0.000 0.821 174 A HN 0.458 nan 8.150 nan 0.000 0.443 175 R N -0.547 119.851 120.500 -0.170 0.000 2.092 175 R HA -0.064 3.901 4.340 -0.626 0.000 0.231 175 R C 2.002 178.282 176.300 -0.033 0.000 1.119 175 R CA 1.329 57.379 56.100 -0.084 0.000 0.970 175 R CB -0.562 29.636 30.300 -0.169 0.000 0.864 175 R HN 0.386 nan 8.270 nan 0.000 0.440 176 V N 0.427 120.320 119.914 -0.036 0.000 2.295 176 V HA -0.252 3.492 4.120 -0.626 0.000 0.246 176 V C 2.200 178.325 176.094 0.052 0.000 1.049 176 V CA 1.963 64.271 62.300 0.013 0.000 1.024 176 V CB -0.373 31.457 31.823 0.012 0.000 0.648 176 V HN 0.284 nan 8.190 nan 0.000 0.447 177 S N -1.038 114.706 115.700 0.075 0.000 2.402 177 S HA -0.189 3.906 4.470 -0.626 0.000 0.229 177 S C 2.114 176.783 174.600 0.116 0.000 1.021 177 S CA 1.544 59.841 58.200 0.163 0.000 0.974 177 S CB -0.344 63.018 63.200 0.270 0.000 0.800 177 S HN 0.529 nan 8.310 nan 0.000 0.484 178 R N 1.336 121.871 120.500 0.059 0.000 2.073 178 R HA -0.095 3.870 4.340 -0.626 0.000 0.234 178 R C 2.320 178.632 176.300 0.021 0.000 1.134 178 R CA 1.483 57.595 56.100 0.020 0.000 0.952 178 R CB -0.266 30.034 30.300 -0.001 0.000 0.850 178 R HN 0.297 nan 8.270 nan 0.000 0.433 179 E N 0.371 120.591 120.200 0.033 0.000 2.077 179 E HA -0.215 3.760 4.350 -0.626 0.000 0.193 179 E C 1.820 178.451 176.600 0.052 0.000 0.989 179 E CA 1.353 57.778 56.400 0.041 0.000 0.800 179 E CB 0.053 29.785 29.700 0.054 0.000 0.746 179 E HN 0.411 nan 8.360 nan 0.000 0.452 180 Q N -0.051 119.788 119.800 0.065 0.000 2.084 180 Q HA -0.085 3.880 4.340 -0.626 0.000 0.202 180 Q C 2.128 178.151 176.000 0.038 0.000 0.978 180 Q CA 1.398 57.240 55.803 0.066 0.000 0.844 180 Q CB -0.420 28.366 28.738 0.079 0.000 0.898 180 Q HN 0.336 nan 8.270 nan 0.000 0.426 181 A N 0.834 123.672 122.820 0.029 0.000 1.969 181 A HA -0.050 3.894 4.320 -0.626 0.000 0.218 181 A C 2.339 179.904 177.584 -0.031 0.000 1.169 181 A CA 1.595 53.619 52.037 -0.021 0.000 0.635 181 A CB -0.958 18.022 19.000 -0.034 0.000 0.810 181 A HN 0.450 nan 8.150 nan 0.000 0.445 182 G N -0.006 108.786 108.800 -0.013 0.000 2.442 182 G HA2 -0.233 3.351 3.960 -0.626 0.000 0.219 182 G HA3 -0.233 3.351 3.960 -0.626 0.000 0.219 182 G C 1.577 176.472 174.900 -0.008 0.000 1.141 182 G CA 0.996 46.087 45.100 -0.016 0.000 0.763 182 G HN 0.578 nan 8.290 nan 0.000 0.554 183 K N 0.614 121.019 120.400 0.009 0.000 2.283 183 K HA 0.073 4.018 4.320 -0.626 0.000 0.202 183 K C 2.272 178.872 176.600 0.001 0.000 1.048 183 K CA 0.846 57.142 56.287 0.016 0.000 0.948 183 K CB -0.010 32.516 32.500 0.042 0.000 0.742 183 K HN 0.303 nan 8.250 nan 0.000 0.458 184 A N 0.597 123.407 122.820 -0.016 0.000 2.379 184 A HA 0.295 4.239 4.320 -0.626 0.000 0.236 184 A C 1.169 178.726 177.584 -0.044 0.000 1.272 184 A CA 0.489 52.506 52.037 -0.033 0.000 0.886 184 A CB -0.174 18.793 19.000 -0.055 0.000 0.962 184 A HN 0.352 nan 8.150 nan 0.000 0.504 185 G N -0.781 107.997 108.800 -0.037 0.000 2.160 185 G HA2 -0.220 3.364 3.960 -0.626 0.000 0.251 185 G HA3 -0.220 3.364 3.960 -0.626 0.000 0.251 185 G C -0.066 174.799 174.900 -0.058 0.000 1.008 185 G CA 0.518 45.593 45.100 -0.041 0.000 0.724 185 G HN 0.492 nan 8.290 nan 0.000 0.514 186 L N 0.484 121.665 121.223 -0.070 0.000 2.307 186 L HA 0.707 4.672 4.340 -0.626 0.000 0.284 186 L C 1.095 177.912 176.870 -0.088 0.000 1.023 186 L CA -0.468 54.316 54.840 -0.094 0.000 0.810 186 L CB 1.749 43.729 42.059 -0.130 0.000 1.231 186 L HN 0.191 nan 8.230 nan 0.000 0.423 187 G N 0.902 109.644 108.800 -0.096 0.000 2.488 187 G HA2 0.648 4.233 3.960 -0.626 0.000 0.318 187 G HA3 0.648 4.233 3.960 -0.626 0.000 0.318 187 G C -0.352 174.467 174.900 -0.135 0.000 1.188 187 G CA -0.225 44.814 45.100 -0.101 0.000 0.944 187 G HN 0.538 nan 8.290 nan 0.000 0.495 188 T N -3.213 111.247 114.554 -0.157 0.000 2.926 188 T HA 0.732 4.706 4.350 -0.626 0.000 0.289 188 T C -0.828 173.720 174.700 -0.253 0.000 1.054 188 T CA -0.777 61.200 62.100 -0.205 0.000 1.015 188 T CB 1.946 70.689 68.868 -0.209 0.000 1.167 188 T HN 0.550 nan 8.240 nan 0.000 0.526 189 V N 0.913 120.664 119.914 -0.272 0.000 2.841 189 V HA 0.470 4.215 4.120 -0.626 0.000 0.310 189 V C -0.889 175.058 176.094 -0.246 0.000 1.090 189 V CA -1.128 61.037 62.300 -0.225 0.000 0.930 189 V CB 2.001 33.775 31.823 -0.082 0.000 1.014 189 V HN 0.947 nan 8.190 nan 0.000 0.425 190 F N 2.194 122.074 119.950 -0.118 0.000 2.484 190 F HA 0.373 4.524 4.527 -0.627 0.000 0.360 190 F C 0.400 176.187 175.800 -0.022 0.000 1.101 190 F CA -0.098 57.806 58.000 -0.161 0.000 1.251 190 F CB 1.133 40.011 39.000 -0.205 0.000 1.132 190 F HN 0.146 nan 8.300 nan 0.000 0.570 191 V N 5.225 125.267 119.914 0.213 0.000 2.347 191 V HA 0.273 4.017 4.120 -0.626 0.000 0.280 191 V C -2.053 174.169 176.094 0.212 0.000 1.021 191 V CA -2.026 60.397 62.300 0.206 0.000 0.847 191 V CB 1.096 33.048 31.823 0.214 0.000 0.990 191 V HN 0.540 nan 8.190 nan 0.000 0.444 192 P HA 0.185 nan 4.420 nan 0.000 0.271 192 P C -0.425 176.966 177.300 0.151 0.000 1.233 192 P CA -0.059 63.088 63.100 0.078 0.000 0.789 192 P CB 0.563 32.238 31.700 -0.041 0.000 0.951 193 N N -0.387 118.421 118.700 0.179 0.000 2.708 193 N HA 0.175 4.540 4.740 -0.626 0.000 0.257 193 N C 0.076 175.635 175.510 0.081 0.000 1.373 193 N CA -0.438 52.707 53.050 0.158 0.000 0.843 193 N CB 1.957 40.525 38.487 0.135 0.000 1.503 193 N HN 0.085 nan 8.380 nan 0.000 0.504 194 V N -0.534 119.458 119.914 0.129 0.000 3.650 194 V HA 0.297 4.041 4.120 -0.626 0.000 0.271 194 V C 0.506 176.578 176.094 -0.037 0.000 1.281 194 V CA 0.249 62.590 62.300 0.070 0.000 1.120 194 V CB -1.070 30.822 31.823 0.116 0.000 0.856 194 V HN 0.551 nan 8.190 nan 0.000 0.443 195 Y N 2.540 122.715 120.300 -0.209 0.000 2.359 195 Y HA 0.410 4.588 4.550 -0.620 0.000 0.334 195 Y C 0.522 176.165 175.900 -0.428 0.000 1.058 195 Y CA -0.933 56.992 58.100 -0.291 0.000 1.244 195 Y CB 0.630 38.907 38.460 -0.305 0.000 1.187 195 Y HN 0.253 nan 8.280 nan 0.000 0.510 196 D N 5.360 125.526 120.400 -0.389 0.000 2.368 196 D HA -0.088 4.177 4.640 -0.626 0.000 0.268 196 D C 0.388 176.703 176.300 0.024 0.000 1.298 196 D CA 0.544 54.440 54.000 -0.172 0.000 0.938 196 D CB 0.019 40.708 40.800 -0.186 0.000 1.101 196 D HN 0.562 nan 8.370 nan 0.000 0.509 197 F N 2.181 122.223 119.950 0.154 0.000 2.293 197 F HA 0.075 4.224 4.527 -0.629 0.000 0.300 197 F C 2.490 178.255 175.800 -0.059 0.000 1.086 197 F CA 0.894 58.955 58.000 0.100 0.000 1.375 197 F CB -0.332 38.711 39.000 0.072 0.000 1.045 197 F HN 0.522 nan 8.300 nan 0.000 0.516 198 G N -1.419 107.456 108.800 0.126 0.000 2.402 198 G HA2 -0.321 3.264 3.960 -0.626 0.000 0.216 198 G HA3 -0.321 3.264 3.960 -0.626 0.000 0.216 198 G C 1.610 176.493 174.900 -0.028 0.000 1.162 198 G CA 0.595 45.697 45.100 0.003 0.000 0.777 198 G HN 0.401 nan 8.290 nan 0.000 0.539 199 Y N 0.498 120.756 120.300 -0.069 0.000 2.200 199 Y HA -0.009 4.164 4.550 -0.628 0.000 0.290 199 Y C 2.783 178.651 175.900 -0.052 0.000 1.137 199 Y CA 1.939 59.994 58.100 -0.074 0.000 1.163 199 Y CB -0.095 38.303 38.460 -0.104 0.000 0.988 199 Y HN 0.182 nan 8.280 nan 0.000 0.518 200 M N -0.155 119.545 119.600 0.167 0.000 2.149 200 M HA -0.310 3.795 4.480 -0.626 0.000 0.261 200 M C 2.030 178.154 176.300 -0.294 0.000 1.064 200 M CA 1.919 57.259 55.300 0.067 0.000 1.102 200 M CB -0.131 32.601 32.600 0.220 0.000 1.369 200 M HN 0.398 nan 8.290 nan 0.000 0.408 201 Q N -0.375 119.083 119.800 -0.571 0.000 2.084 201 Q HA -0.175 3.789 4.340 -0.626 0.000 0.202 201 Q C 1.996 177.802 176.000 -0.323 0.000 0.978 201 Q CA 1.391 56.727 55.803 -0.778 0.000 0.844 201 Q CB -0.162 28.079 28.738 -0.828 0.000 0.898 201 Q HN 0.587 nan 8.270 nan 0.000 0.426 202 R N 0.569 120.883 120.500 -0.310 0.000 2.148 202 R HA -0.107 3.857 4.340 -0.626 0.000 0.227 202 R C 1.957 178.085 176.300 -0.287 0.000 1.103 202 R CA 0.923 56.855 56.100 -0.280 0.000 0.983 202 R CB -0.019 30.074 30.300 -0.346 0.000 0.874 202 R HN 0.376 nan 8.270 nan 0.000 0.451 203 E N 0.732 120.730 120.200 -0.338 0.000 2.047 203 E HA -0.140 3.834 4.350 -0.626 0.000 0.191 203 E C 2.065 178.568 176.600 -0.163 0.000 0.987 203 E CA 1.134 57.367 56.400 -0.279 0.000 0.799 203 E CB -0.088 29.460 29.700 -0.253 0.000 0.752 203 E HN 0.322 nan 8.360 nan 0.000 0.449 204 A N 1.254 124.021 122.820 -0.089 0.000 1.972 204 A HA -0.066 3.879 4.320 -0.626 0.000 0.219 204 A C 2.218 179.906 177.584 0.173 0.000 1.169 204 A CA 1.522 53.636 52.037 0.128 0.000 0.635 204 A CB -0.364 18.911 19.000 0.458 0.000 0.810 204 A HN 0.263 nan 8.150 nan 0.000 0.446 205 A N -1.489 121.377 122.820 0.077 0.000 2.251 205 A HA 0.422 4.367 4.320 -0.626 0.000 0.209 205 A C 1.681 179.274 177.584 0.014 0.000 1.187 205 A CA 1.028 53.102 52.037 0.061 0.000 0.823 205 A CB -1.099 17.917 19.000 0.028 0.000 0.846 205 A HN 1.843 nan 8.150 nan 0.000 0.486 206 G N -0.216 108.578 108.800 -0.011 0.000 2.225 206 G HA2 -0.295 3.290 3.960 -0.626 0.000 0.267 206 G HA3 -0.295 3.290 3.960 -0.626 0.000 0.267 206 G C 0.401 175.265 174.900 -0.060 0.000 1.024 206 G CA 0.780 45.862 45.100 -0.029 0.000 0.784 206 G HN 0.664 nan 8.290 nan 0.000 0.507 207 E N -1.426 118.713 120.200 -0.102 0.000 2.415 207 E HA 0.324 4.298 4.350 -0.626 0.000 0.197 207 E C 1.087 177.594 176.600 -0.155 0.000 1.007 207 E CA 0.873 57.205 56.400 -0.112 0.000 0.890 207 E CB 0.669 30.301 29.700 -0.113 0.000 0.891 207 E HN 0.925 nan 8.360 nan 0.000 0.496 208 V N -2.226 117.549 119.914 -0.232 0.000 3.159 208 V HA 0.480 4.224 4.120 -0.626 0.000 0.308 208 V C -2.962 172.981 176.094 -0.251 0.000 1.190 208 V CA -3.124 59.010 62.300 -0.277 0.000 1.037 208 V CB 1.369 32.874 31.823 -0.530 0.000 1.060 208 V HN -0.232 nan 8.190 nan 0.000 0.437 209 P HA 0.186 nan 4.420 nan 0.000 0.261 209 P C -0.552 176.676 177.300 -0.119 0.000 1.183 209 P CA 0.278 63.236 63.100 -0.236 0.000 0.761 209 P CB 0.175 31.529 31.700 -0.577 0.000 0.785 210 K N 1.665 122.050 120.400 -0.025 0.000 2.237 210 K HA 0.278 4.223 4.320 -0.626 0.000 0.270 210 K C 0.855 177.564 176.600 0.183 0.000 1.015 210 K CA -0.058 56.248 56.287 0.033 0.000 0.949 210 K CB 0.880 33.350 32.500 -0.050 0.000 0.976 210 K HN 0.348 nan 8.250 nan 0.000 0.472 211 S N 0.858 116.690 115.700 0.220 0.000 4.098 211 S HA 0.105 4.199 4.470 -0.626 0.000 0.193 211 S C 1.573 176.241 174.600 0.114 0.000 1.049 211 S CA 0.454 58.805 58.200 0.252 0.000 1.034 211 S CB -0.324 63.109 63.200 0.389 0.000 1.380 211 S HN 0.616 nan 8.310 nan 0.000 0.629 212 A N 1.665 124.537 122.820 0.086 0.000 1.972 212 A HA 0.229 4.174 4.320 -0.626 0.000 0.219 212 A C 1.590 179.050 177.584 -0.206 0.000 1.169 212 A CA 1.133 53.063 52.037 -0.180 0.000 0.635 212 A CB -0.711 17.932 19.000 -0.594 0.000 0.810 212 A HN 0.564 nan 8.150 nan 0.000 0.446 213 L N -1.292 119.756 121.223 -0.292 0.000 2.653 213 L HA 0.266 4.230 4.340 -0.626 0.000 0.232 213 L C 1.157 177.841 176.870 -0.310 0.000 1.169 213 L CA 0.416 54.867 54.840 -0.648 0.000 0.951 213 L CB -0.031 41.297 42.059 -1.217 0.000 1.181 213 L HN 0.373 nan 8.230 nan 0.000 0.460 214 A N -0.818 121.948 122.820 -0.089 0.000 2.674 214 A HA 0.327 4.271 4.320 -0.626 0.000 0.286 214 A C 0.797 178.407 177.584 0.043 0.000 0.980 214 A CA -0.240 51.808 52.037 0.018 0.000 1.028 214 A CB -0.053 18.975 19.000 0.048 0.000 1.199 214 A HN 0.240 nan 8.150 nan 0.000 0.499 215 T N 0.690 115.260 114.554 0.027 0.000 3.720 215 T HA -0.165 3.809 4.350 -0.626 0.000 0.381 215 T C -0.284 174.416 174.700 0.001 0.000 0.763 215 T CA 1.825 63.931 62.100 0.010 0.000 1.957 215 T CB -1.667 67.219 68.868 0.029 0.000 1.767 215 T HN 0.771 nan 8.240 nan 0.000 0.743 216 E N -1.050 119.143 120.200 -0.012 0.000 2.248 216 E HA 0.694 4.668 4.350 -0.626 0.000 0.267 216 E C 0.293 176.853 176.600 -0.067 0.000 0.877 216 E CA -0.664 55.729 56.400 -0.013 0.000 0.759 216 E CB 2.762 32.497 29.700 0.057 0.000 1.182 216 E HN 0.099 nan 8.360 nan 0.000 0.418 217 V N 3.253 123.083 119.914 -0.140 0.000 5.311 217 V HA -0.026 3.718 4.120 -0.626 0.000 0.119 217 V C 0.727 176.662 176.094 -0.265 0.000 1.232 217 V CA 0.125 62.324 62.300 -0.168 0.000 0.820 217 V CB -0.532 31.212 31.823 -0.131 0.000 0.965 217 V HN 0.753 nan 8.190 nan 0.000 0.675 218 I N 0.464 120.812 120.570 -0.369 0.000 2.700 218 I HA -0.138 3.657 4.170 -0.626 0.000 0.261 218 I C 1.132 176.999 176.117 -0.418 0.000 1.219 218 I CA 1.867 62.894 61.300 -0.455 0.000 1.463 218 I CB 0.157 37.824 38.000 -0.556 0.000 1.092 218 I HN 0.655 nan 8.210 nan 0.000 0.452 219 Y N 0.587 120.760 120.300 -0.211 0.000 2.636 219 Y HA 0.525 4.700 4.550 -0.625 0.000 0.260 219 Y C 0.777 176.333 175.900 -0.573 0.000 1.177 219 Y CA -0.287 57.653 58.100 -0.267 0.000 1.209 219 Y CB -0.084 38.306 38.460 -0.116 0.000 1.166 219 Y HN 0.096 nan 8.280 nan 0.000 0.531 220 G N 0.792 109.232 108.800 -0.599 0.000 2.617 220 G HA2 -0.164 3.420 3.960 -0.626 0.000 0.686 220 G HA3 -0.164 3.420 3.960 -0.626 0.000 0.686 220 G C -1.196 173.361 174.900 -0.570 0.000 1.214 220 G CA -1.245 43.138 45.100 -1.196 0.000 0.796 220 G HN 0.245 nan 8.290 nan 0.000 0.654 221 N N 0.793 119.280 118.700 -0.356 0.000 2.417 221 N HA 0.391 4.755 4.740 -0.626 0.000 0.274 221 N C 1.095 176.717 175.510 0.186 0.000 0.987 221 N CA -0.995 52.066 53.050 0.019 0.000 0.912 221 N CB 1.164 39.705 38.487 0.090 0.000 1.177 221 N HN 0.479 nan 8.380 nan 0.000 0.490 222 N N 1.164 119.960 118.700 0.162 0.000 2.453 222 N HA -0.061 4.304 4.740 -0.626 0.000 0.183 222 N C -0.496 174.652 175.510 -0.603 0.000 1.041 222 N CA 1.097 54.067 53.050 -0.134 0.000 0.900 222 N CB 0.072 38.422 38.487 -0.228 0.000 0.961 222 N HN 0.602 nan 8.380 nan 0.000 0.443 223 H N -2.870 116.212 119.070 0.020 0.000 3.016 223 H HA 0.295 4.475 4.556 -0.627 0.000 0.362 223 H C 0.994 176.049 175.328 -0.455 0.000 1.233 223 H CA 0.034 55.959 56.048 -0.204 0.000 1.124 223 H CB 1.599 31.299 29.762 -0.103 0.000 1.850 223 H HN 0.054 nan 8.280 nan 0.000 0.549 224 G N 1.193 109.504 108.800 -0.815 0.000 2.412 224 G HA2 -0.329 3.255 3.960 -0.626 0.000 0.252 224 G HA3 -0.329 3.255 3.960 -0.626 0.000 0.252 224 G C 0.550 174.723 174.900 -1.211 0.000 1.038 224 G CA 0.929 45.279 45.100 -1.249 0.000 0.628 224 G HN 0.559 nan 8.290 nan 0.000 0.531 225 K N 1.219 121.171 120.400 -0.747 0.000 2.276 225 K HA 0.364 4.309 4.320 -0.626 0.000 0.285 225 K C 0.218 176.672 176.600 -0.243 0.000 1.062 225 K CA -0.386 55.671 56.287 -0.382 0.000 0.918 225 K CB 0.348 32.818 32.500 -0.050 0.000 1.055 225 K HN 0.062 nan 8.250 nan 0.000 0.477 226 Q N 2.814 122.494 119.800 -0.200 0.000 3.004 226 Q HA 0.038 4.002 4.340 -0.626 0.000 0.256 226 Q C -0.324 175.613 176.000 -0.104 0.000 1.387 226 Q CA 0.031 55.752 55.803 -0.138 0.000 0.962 226 Q CB 0.127 28.800 28.738 -0.109 0.000 1.676 226 Q HN 0.668 nan 8.270 nan 0.000 0.568 227 S N -0.662 114.972 115.700 -0.110 0.000 2.608 227 S HA 0.236 4.331 4.470 -0.626 0.000 0.261 227 S C 1.549 176.072 174.600 -0.128 0.000 1.314 227 S CA -0.706 57.416 58.200 -0.131 0.000 0.992 227 S CB 0.929 64.063 63.200 -0.110 0.000 0.935 227 S HN 0.551 nan 8.310 nan 0.000 0.564 228 L N 0.875 121.978 121.223 -0.201 0.000 2.129 228 L HA -0.190 3.775 4.340 -0.626 0.000 0.212 228 L C 2.337 179.161 176.870 -0.077 0.000 1.087 228 L CA 1.687 56.430 54.840 -0.162 0.000 0.757 228 L CB -0.961 40.901 42.059 -0.328 0.000 0.896 228 L HN 0.814 nan 8.230 nan 0.000 0.434 229 D N 0.139 120.498 120.400 -0.067 0.000 2.218 229 D HA -0.215 4.049 4.640 -0.626 0.000 0.204 229 D C 1.807 178.088 176.300 -0.033 0.000 0.976 229 D CA 1.309 55.290 54.000 -0.030 0.000 0.853 229 D CB -0.162 40.642 40.800 0.006 0.000 0.939 229 D HN 0.251 nan 8.370 nan 0.000 0.481 230 K N -0.256 120.116 120.400 -0.046 0.000 2.262 230 K HA 0.064 4.008 4.320 -0.626 0.000 0.200 230 K C 2.045 178.607 176.600 -0.064 0.000 1.049 230 K CA 1.243 57.497 56.287 -0.056 0.000 0.979 230 K CB 0.240 32.697 32.500 -0.072 0.000 0.773 230 K HN 0.411 nan 8.250 nan 0.000 0.474 231 T N -2.104 112.416 114.554 -0.057 0.000 3.412 231 T HA 0.033 4.007 4.350 -0.626 0.000 0.193 231 T C 1.633 176.278 174.700 -0.090 0.000 0.810 231 T CA 0.065 62.113 62.100 -0.086 0.000 1.910 231 T CB -0.939 67.888 68.868 -0.068 0.000 1.974 231 T HN -0.032 nan 8.240 nan 0.000 0.443 232 Y N 1.920 122.173 120.300 -0.077 0.000 2.081 232 Y HA 0.001 4.175 4.550 -0.626 0.000 0.280 232 Y C 2.636 178.487 175.900 -0.082 0.000 1.163 232 Y CA 1.510 59.565 58.100 -0.076 0.000 1.135 232 Y CB -0.728 37.681 38.460 -0.084 0.000 0.970 232 Y HN 0.177 nan 8.280 nan 0.000 0.498 233 L N -1.075 120.190 121.223 0.071 0.000 2.083 233 L HA -0.243 3.721 4.340 -0.626 0.000 0.209 233 L C 2.682 179.544 176.870 -0.014 0.000 1.083 233 L CA 0.990 55.834 54.840 0.006 0.000 0.752 233 L CB -0.920 41.126 42.059 -0.022 0.000 0.899 233 L HN 0.242 nan 8.230 nan 0.000 0.433 234 A N 0.241 123.046 122.820 -0.024 0.000 1.877 234 A HA -0.179 3.765 4.320 -0.626 0.000 0.216 234 A C 2.555 180.115 177.584 -0.041 0.000 1.186 234 A CA 1.823 53.839 52.037 -0.035 0.000 0.620 234 A CB -0.719 18.254 19.000 -0.045 0.000 0.822 234 A HN 0.394 nan 8.150 nan 0.000 0.443 235 A N -0.210 122.579 122.820 -0.051 0.000 1.902 235 A HA 0.174 4.119 4.320 -0.626 0.000 0.217 235 A C 2.510 180.071 177.584 -0.039 0.000 1.181 235 A CA 2.081 54.083 52.037 -0.058 0.000 0.623 235 A CB -1.034 17.909 19.000 -0.096 0.000 0.818 235 A HN 1.057 nan 8.150 nan 0.000 0.443 236 A N -0.030 122.776 122.820 -0.023 0.000 1.865 236 A HA -0.108 3.837 4.320 -0.626 0.000 0.217 236 A C 2.158 179.722 177.584 -0.033 0.000 1.191 236 A CA 1.622 53.644 52.037 -0.025 0.000 0.623 236 A CB -0.726 18.260 19.000 -0.022 0.000 0.826 236 A HN 0.481 nan 8.150 nan 0.000 0.444 237 L N -0.632 120.572 121.223 -0.032 0.000 2.131 237 L HA -0.131 3.834 4.340 -0.626 0.000 0.210 237 L C 2.730 179.582 176.870 -0.030 0.000 1.092 237 L CA 0.938 55.759 54.840 -0.031 0.000 0.759 237 L CB -0.731 41.310 42.059 -0.030 0.000 0.903 237 L HN 0.510 nan 8.230 nan 0.000 0.435 238 G N -0.409 108.372 108.800 -0.032 0.000 2.470 238 G HA2 -0.253 3.331 3.960 -0.626 0.000 0.220 238 G HA3 -0.253 3.331 3.960 -0.626 0.000 0.220 238 G C 1.670 176.553 174.900 -0.029 0.000 1.121 238 G CA 1.147 46.228 45.100 -0.031 0.000 0.766 238 G HN 0.471 nan 8.290 nan 0.000 0.553 239 T N -2.389 112.146 114.554 -0.030 0.000 2.962 239 T HA 0.260 4.234 4.350 -0.626 0.000 0.270 239 T C 2.119 176.805 174.700 -0.023 0.000 1.088 239 T CA 1.106 63.190 62.100 -0.028 0.000 1.127 239 T CB -0.262 68.587 68.868 -0.031 0.000 0.883 239 T HN 1.336 nan 8.240 nan 0.000 0.493 240 G N 1.206 109.992 108.800 -0.024 0.000 2.179 240 G HA2 -0.238 3.347 3.960 -0.626 0.000 0.260 240 G HA3 -0.238 3.347 3.960 -0.626 0.000 0.260 240 G C 0.827 175.716 174.900 -0.019 0.000 0.977 240 G CA 0.392 45.480 45.100 -0.019 0.000 0.641 240 G HN 0.517 nan 8.290 nan 0.000 0.533 241 K N -0.366 120.020 120.400 -0.023 0.000 2.374 241 K HA 0.454 4.399 4.320 -0.626 0.000 0.202 241 K C 0.410 176.992 176.600 -0.031 0.000 1.040 241 K CA 0.293 56.566 56.287 -0.022 0.000 1.085 241 K CB 1.469 33.956 32.500 -0.022 0.000 0.873 241 K HN 0.358 nan 8.250 nan 0.000 0.539 242 V N 1.625 121.517 119.914 -0.036 0.000 2.604 242 V HA 0.422 4.166 4.120 -0.626 0.000 0.305 242 V C -0.046 176.023 176.094 -0.042 0.000 1.043 242 V CA -0.838 61.435 62.300 -0.044 0.000 0.888 242 V CB 1.912 33.705 31.823 -0.050 0.000 0.995 242 V HN 0.269 nan 8.190 nan 0.000 0.429 243 T N 1.778 116.303 114.554 -0.048 0.000 2.906 243 T HA 0.835 4.810 4.350 -0.626 0.000 0.295 243 T C -0.958 173.706 174.700 -0.060 0.000 1.061 243 T CA -0.657 61.413 62.100 -0.050 0.000 1.000 243 T CB 1.922 70.759 68.868 -0.051 0.000 1.103 243 T HN 0.383 nan 8.240 nan 0.000 0.486 244 I N 1.587 122.121 120.570 -0.060 0.000 2.466 244 I HA 0.352 4.147 4.170 -0.626 0.000 0.289 244 I C -0.385 175.682 176.117 -0.083 0.000 1.026 244 I CA -0.811 60.450 61.300 -0.064 0.000 1.078 244 I CB 2.235 40.210 38.000 -0.043 0.000 1.249 244 I HN 0.589 nan 8.210 nan 0.000 0.429 245 Q N 4.712 124.433 119.800 -0.133 0.000 2.333 245 Q HA 0.409 4.373 4.340 -0.626 0.000 0.265 245 Q C -0.216 175.733 176.000 -0.084 0.000 0.989 245 Q CA -0.693 54.983 55.803 -0.213 0.000 0.842 245 Q CB 2.473 30.870 28.738 -0.568 0.000 1.262 245 Q HN 0.742 nan 8.270 nan 0.000 0.451 246 T N -1.231 113.354 114.554 0.051 0.000 2.912 246 T HA 0.461 4.436 4.350 -0.626 0.000 0.280 246 T C 0.679 175.539 174.700 0.266 0.000 0.989 246 T CA -0.708 61.468 62.100 0.126 0.000 0.995 246 T CB 0.519 69.418 68.868 0.052 0.000 1.077 246 T HN 0.725 nan 8.240 nan 0.000 0.531 247 L N -0.156 121.179 121.223 0.187 0.000 3.839 247 L HA -0.170 3.795 4.340 -0.626 0.000 0.416 247 L C -0.707 176.219 176.870 0.093 0.000 1.195 247 L CA 0.477 55.408 54.840 0.151 0.000 0.946 247 L CB -2.184 39.913 42.059 0.065 0.000 1.891 247 L HN 0.807 nan 8.230 nan 0.000 0.963 248 H N -0.215 118.892 119.070 0.061 0.000 2.708 248 H HA 0.487 4.667 4.556 -0.626 0.000 0.320 248 H C 0.002 175.360 175.328 0.049 0.000 0.991 248 H CA -0.192 55.882 56.048 0.043 0.000 1.243 248 H CB 1.389 31.166 29.762 0.025 0.000 1.446 248 H HN 0.195 nan 8.280 nan 0.000 0.502 249 Q N 3.578 123.449 119.800 0.117 0.000 2.325 249 Q HA 0.416 4.381 4.340 -0.626 0.000 0.262 249 Q C -0.999 175.041 176.000 0.067 0.000 0.968 249 Q CA -0.963 54.894 55.803 0.091 0.000 0.877 249 Q CB 1.183 29.976 28.738 0.091 0.000 1.253 249 Q HN 0.428 nan 8.270 nan 0.000 0.448 250 V N 5.423 125.370 119.914 0.055 0.000 2.521 250 V HA 0.038 3.782 4.120 -0.626 0.000 0.286 250 V C 0.656 176.764 176.094 0.023 0.000 1.034 250 V CA 0.117 62.439 62.300 0.037 0.000 1.045 250 V CB 1.009 32.845 31.823 0.021 0.000 0.974 250 V HN 0.833 nan 8.190 nan 0.000 0.480 251 K N 2.337 122.749 120.400 0.020 0.000 2.306 251 K HA 0.177 4.122 4.320 -0.626 0.000 0.200 251 K C 0.819 177.421 176.600 0.003 0.000 1.083 251 K CA 0.785 57.082 56.287 0.017 0.000 0.959 251 K CB 0.421 32.933 32.500 0.020 0.000 0.994 251 K HN 0.822 nan 8.250 nan 0.000 0.492 252 T N -1.243 113.310 114.554 -0.002 0.000 2.906 252 T HA 0.757 4.732 4.350 -0.626 0.000 0.295 252 T C -0.378 174.309 174.700 -0.022 0.000 1.075 252 T CA -0.813 61.275 62.100 -0.019 0.000 1.005 252 T CB 1.830 70.691 68.868 -0.012 0.000 1.136 252 T HN -0.049 nan 8.240 nan 0.000 0.498 253 I N 1.810 122.354 120.570 -0.043 0.000 2.534 253 I HA 0.599 4.393 4.170 -0.626 0.000 0.288 253 I C -0.264 175.834 176.117 -0.030 0.000 1.077 253 I CA -1.052 60.225 61.300 -0.039 0.000 1.051 253 I CB 2.223 40.163 38.000 -0.100 0.000 1.234 253 I HN 0.867 nan 8.210 nan 0.000 0.425 254 R N 4.239 124.754 120.500 0.024 0.000 2.836 254 R HA 0.586 4.551 4.340 -0.626 0.000 0.269 254 R C -1.346 174.990 176.300 0.061 0.000 1.010 254 R CA -0.995 55.117 56.100 0.020 0.000 0.930 254 R CB 1.935 32.237 30.300 0.003 0.000 1.218 254 R HN 0.553 nan 8.270 nan 0.000 0.473 255 Q N 1.844 121.642 119.800 -0.003 0.000 2.278 255 Q HA 0.212 4.176 4.340 -0.626 0.000 0.257 255 Q C -0.519 175.397 176.000 -0.139 0.000 0.928 255 Q CA -0.614 55.093 55.803 -0.161 0.000 0.932 255 Q CB 1.506 30.199 28.738 -0.076 0.000 1.221 255 Q HN 0.765 nan 8.270 nan 0.000 0.434 256 T N 0.876 115.309 114.554 -0.201 0.000 2.802 256 T HA 0.127 4.102 4.350 -0.626 0.000 0.305 256 T C 0.855 175.489 174.700 -0.110 0.000 1.053 256 T CA -0.390 61.637 62.100 -0.121 0.000 1.058 256 T CB 0.705 69.506 68.868 -0.112 0.000 0.988 256 T HN 0.708 nan 8.240 nan 0.000 0.539 257 K N 0.677 121.032 120.400 -0.074 0.000 2.362 257 K HA -0.109 3.835 4.320 -0.626 0.000 0.202 257 K C 1.209 177.766 176.600 -0.071 0.000 1.045 257 K CA 1.516 57.766 56.287 -0.061 0.000 0.936 257 K CB -0.130 32.342 32.500 -0.046 0.000 0.747 257 K HN 0.779 nan 8.250 nan 0.000 0.467 258 D N -1.686 118.658 120.400 -0.093 0.000 2.501 258 D HA 0.083 4.348 4.640 -0.626 0.000 0.224 258 D C 0.914 177.141 176.300 -0.122 0.000 1.202 258 D CA 0.460 54.403 54.000 -0.094 0.000 0.829 258 D CB 0.780 41.527 40.800 -0.089 0.000 1.023 258 D HN 0.205 nan 8.370 nan 0.000 0.499 259 G N -0.068 108.632 108.800 -0.167 0.000 2.194 259 G HA2 -0.193 3.392 3.960 -0.626 0.000 0.236 259 G HA3 -0.193 3.392 3.960 -0.626 0.000 0.236 259 G C 0.679 175.332 174.900 -0.413 0.000 0.987 259 G CA -0.048 44.919 45.100 -0.223 0.000 0.635 259 G HN 0.748 nan 8.290 nan 0.000 0.520 260 G N -0.990 107.582 108.800 -0.379 0.000 2.525 260 G HA2 0.598 4.183 3.960 -0.626 0.000 0.287 260 G HA3 0.598 4.183 3.960 -0.626 0.000 0.287 260 G C -0.699 173.749 174.900 -0.754 0.000 1.350 260 G CA -0.730 44.124 45.100 -0.409 0.000 1.039 260 G HN 0.383 nan 8.290 nan 0.000 0.513 261 Y N -1.165 119.121 120.300 -0.023 0.000 2.462 261 Y HA 0.613 4.788 4.550 -0.625 0.000 0.346 261 Y C 0.394 176.286 175.900 -0.013 0.000 0.976 261 Y CA -0.690 57.385 58.100 -0.042 0.000 1.044 261 Y CB 2.384 40.798 38.460 -0.078 0.000 1.230 261 Y HN 0.694 nan 8.280 nan 0.000 0.455 262 A N 4.057 126.939 122.820 0.104 0.000 2.342 262 A HA 0.929 4.873 4.320 -0.626 0.000 0.323 262 A C -1.486 176.135 177.584 0.062 0.000 1.125 262 A CA -0.684 51.394 52.037 0.069 0.000 0.785 262 A CB 0.786 19.807 19.000 0.035 0.000 1.221 262 A HN 0.744 nan 8.150 nan 0.000 0.463 263 L N 1.262 122.516 121.223 0.051 0.000 2.370 263 L HA 0.664 4.629 4.340 -0.626 0.000 0.266 263 L C 0.164 177.054 176.870 0.034 0.000 1.002 263 L CA -0.807 54.054 54.840 0.036 0.000 0.818 263 L CB 2.531 44.611 42.059 0.035 0.000 1.325 263 L HN 0.776 nan 8.230 nan 0.000 0.418 264 T N -0.488 114.081 114.554 0.026 0.000 2.749 264 T HA 0.695 4.670 4.350 -0.626 0.000 0.287 264 T C -0.425 174.295 174.700 0.033 0.000 0.970 264 T CA -0.665 61.452 62.100 0.027 0.000 0.980 264 T CB 1.280 70.159 68.868 0.018 0.000 0.924 264 T HN 0.248 nan 8.240 nan 0.000 0.456 265 V N 3.346 123.288 119.914 0.046 0.000 2.487 265 V HA 0.445 4.189 4.120 -0.626 0.000 0.298 265 V C -0.044 176.069 176.094 0.032 0.000 1.028 265 V CA -0.937 61.401 62.300 0.063 0.000 0.860 265 V CB 1.660 33.557 31.823 0.124 0.000 0.991 265 V HN 0.939 nan 8.190 nan 0.000 0.427 266 E N 3.116 123.319 120.200 0.005 0.000 2.174 266 E HA 0.360 4.335 4.350 -0.626 0.000 0.282 266 E C -0.641 175.878 176.600 -0.134 0.000 0.992 266 E CA -0.373 56.000 56.400 -0.046 0.000 0.803 266 E CB 1.982 31.665 29.700 -0.029 0.000 1.090 266 E HN 0.649 nan 8.360 nan 0.000 0.396 267 Q N 3.519 123.185 119.800 -0.223 0.000 2.290 267 Q HA 0.281 4.246 4.340 -0.626 0.000 0.259 267 Q C -1.043 174.841 176.000 -0.193 0.000 0.941 267 Q CA -0.330 55.239 55.803 -0.389 0.000 0.912 267 Q CB 0.865 29.288 28.738 -0.524 0.000 1.244 267 Q HN 0.357 nan 8.270 nan 0.000 0.441 268 K N 1.900 122.213 120.400 -0.145 0.000 2.433 268 K HA 0.311 4.256 4.320 -0.626 0.000 0.252 268 K C -1.166 175.401 176.600 -0.055 0.000 1.015 268 K CA -0.907 55.332 56.287 -0.081 0.000 0.860 268 K CB 1.284 33.747 32.500 -0.062 0.000 1.359 268 K HN 0.731 nan 8.250 nan 0.000 0.452 269 D N -1.270 119.108 120.400 -0.037 0.000 2.478 269 D HA 0.028 4.293 4.640 -0.626 0.000 0.263 269 D C 0.948 177.233 176.300 -0.026 0.000 1.153 269 D CA -0.468 53.515 54.000 -0.029 0.000 1.038 269 D CB 0.268 41.057 40.800 -0.018 0.000 1.120 269 D HN 0.569 nan 8.370 nan 0.000 0.564 270 T N -3.517 110.998 114.554 -0.065 0.000 2.977 270 T HA -0.129 3.845 4.350 -0.626 0.000 0.271 270 T C 0.676 175.310 174.700 -0.110 0.000 1.105 270 T CA 0.912 62.897 62.100 -0.193 0.000 1.116 270 T CB -0.311 68.422 68.868 -0.225 0.000 0.878 270 T HN 0.323 nan 8.240 nan 0.000 0.509 271 D N 1.101 121.535 120.400 0.057 0.000 2.340 271 D HA 0.225 4.490 4.640 -0.626 0.000 0.220 271 D C 1.712 178.164 176.300 0.253 0.000 1.039 271 D CA 0.836 54.924 54.000 0.146 0.000 0.866 271 D CB 0.003 40.860 40.800 0.095 0.000 0.913 271 D HN 0.638 nan 8.370 nan 0.000 0.523 272 G N 0.277 109.187 108.800 0.183 0.000 2.157 272 G HA2 -0.253 3.332 3.960 -0.626 0.000 0.248 272 G HA3 -0.253 3.332 3.960 -0.626 0.000 0.248 272 G C 0.595 175.430 174.900 -0.108 0.000 0.979 272 G CA 0.403 45.465 45.100 -0.063 0.000 0.650 272 G HN 0.658 nan 8.290 nan 0.000 0.529 273 K N 0.150 120.526 120.400 -0.040 0.000 2.339 273 K HA 0.750 4.695 4.320 -0.626 0.000 0.286 273 K C 0.410 176.975 176.600 -0.058 0.000 1.050 273 K CA -0.089 56.170 56.287 -0.047 0.000 0.956 273 K CB 0.959 33.445 32.500 -0.023 0.000 0.990 273 K HN 1.273 nan 8.250 nan 0.000 0.475 274 L N 4.012 125.197 121.223 -0.063 0.000 2.530 274 L HA 0.171 4.135 4.340 -0.626 0.000 0.273 274 L C 0.949 177.787 176.870 -0.052 0.000 1.141 274 L CA 0.044 54.847 54.840 -0.063 0.000 0.905 274 L CB -0.097 41.928 42.059 -0.057 0.000 1.202 274 L HN 0.785 nan 8.230 nan 0.000 0.473 275 L N 5.044 126.230 121.223 -0.062 0.000 2.249 275 L HA 0.449 4.414 4.340 -0.626 0.000 0.207 275 L C 0.778 177.620 176.870 -0.048 0.000 1.090 275 L CA 0.550 55.358 54.840 -0.052 0.000 0.802 275 L CB -0.365 41.658 42.059 -0.060 0.000 0.947 275 L HN 0.817 nan 8.230 nan 0.000 0.453 276 A N -1.066 121.717 122.820 -0.060 0.000 2.569 276 A HA 0.561 4.505 4.320 -0.626 0.000 0.292 276 A C -0.948 176.608 177.584 -0.047 0.000 1.032 276 A CA -0.471 51.540 52.037 -0.043 0.000 0.669 276 A CB 0.795 19.776 19.000 -0.031 0.000 1.290 276 A HN -0.125 nan 8.150 nan 0.000 0.422 277 T N 2.093 116.634 114.554 -0.022 0.000 2.815 277 T HA 0.535 4.510 4.350 -0.626 0.000 0.289 277 T C -0.434 174.272 174.700 0.010 0.000 1.000 277 T CA -0.316 61.778 62.100 -0.010 0.000 0.958 277 T CB 0.862 69.727 68.868 -0.005 0.000 0.944 277 T HN 0.587 nan 8.240 nan 0.000 0.442 278 K N 2.102 122.519 120.400 0.028 0.000 2.221 278 K HA 0.554 4.499 4.320 -0.626 0.000 0.243 278 K C -0.442 176.186 176.600 0.048 0.000 0.968 278 K CA -1.134 55.181 56.287 0.047 0.000 0.846 278 K CB 1.420 33.970 32.500 0.083 0.000 1.141 278 K HN 0.321 nan 8.250 nan 0.000 0.434 279 E N 2.292 122.518 120.200 0.045 0.000 2.129 279 E HA 0.350 4.324 4.350 -0.626 0.000 0.268 279 E C -0.664 175.966 176.600 0.050 0.000 0.900 279 E CA -0.335 56.090 56.400 0.043 0.000 0.755 279 E CB 1.175 30.895 29.700 0.035 0.000 1.117 279 E HN 0.437 nan 8.360 nan 0.000 0.410 280 I N 1.993 122.593 120.570 0.051 0.000 2.436 280 I HA 0.224 4.019 4.170 -0.626 0.000 0.289 280 I C 0.206 176.357 176.117 0.057 0.000 1.010 280 I CA -0.663 60.666 61.300 0.049 0.000 1.098 280 I CB 1.765 39.785 38.000 0.034 0.000 1.266 280 I HN 0.336 nan 8.210 nan 0.000 0.434 281 S N 5.004 120.752 115.700 0.080 0.000 2.664 281 S HA 0.888 4.983 4.470 -0.626 0.000 0.304 281 S C -0.420 174.219 174.600 0.065 0.000 1.099 281 S CA -0.635 57.636 58.200 0.119 0.000 1.003 281 S CB 2.174 65.481 63.200 0.178 0.000 1.092 281 S HN 0.884 nan 8.310 nan 0.000 0.525 282 C N 0.091 119.447 119.300 0.094 0.000 3.320 282 C HA 0.701 4.785 4.460 -0.626 0.000 0.335 282 C C 0.937 175.994 174.990 0.111 0.000 1.430 282 C CA -0.813 58.177 59.018 -0.046 0.000 1.271 282 C CB 1.000 28.725 27.740 -0.026 0.000 1.609 282 C HN 1.165 nan 8.230 nan 0.000 0.457 283 R N -0.778 119.723 120.500 0.002 0.000 2.123 283 R HA 0.290 4.254 4.340 -0.626 0.000 0.209 283 R C -0.486 175.650 176.300 -0.275 0.000 1.078 283 R CA 0.625 56.610 56.100 -0.191 0.000 1.028 283 R CB 0.145 30.187 30.300 -0.430 0.000 0.939 283 R HN 0.781 nan 8.270 nan 0.000 0.463 284 Y N 0.564 120.998 120.300 0.223 0.000 2.364 284 Y HA 0.413 4.587 4.550 -0.626 0.000 0.340 284 Y C -0.853 175.156 175.900 0.181 0.000 0.975 284 Y CA -1.307 56.931 58.100 0.231 0.000 1.089 284 Y CB 1.958 40.653 38.460 0.392 0.000 1.192 284 Y HN -0.069 nan 8.280 nan 0.000 0.454 285 L N 4.690 125.960 121.223 0.078 0.000 2.325 285 L HA 0.615 4.579 4.340 -0.626 0.000 0.281 285 L C -1.863 174.925 176.870 -0.136 0.000 1.004 285 L CA -0.873 53.949 54.840 -0.029 0.000 0.823 285 L CB 0.312 42.195 42.059 -0.294 0.000 1.236 285 L HN 0.456 nan 8.230 nan 0.000 0.415 286 F N 5.664 125.666 119.950 0.086 0.000 2.426 286 F HA 0.510 4.661 4.527 -0.626 0.000 0.348 286 F C -0.469 175.338 175.800 0.010 0.000 1.124 286 F CA -0.725 57.331 58.000 0.094 0.000 1.008 286 F CB 1.567 40.611 39.000 0.072 0.000 1.139 286 F HN 0.189 nan 8.300 nan 0.000 0.452 287 L N 3.005 124.306 121.223 0.129 0.000 2.257 287 L HA 0.521 4.485 4.340 -0.626 0.000 0.290 287 L C 0.769 177.680 176.870 0.068 0.000 1.044 287 L CA 0.066 54.938 54.840 0.054 0.000 0.810 287 L CB 1.257 43.306 42.059 -0.017 0.000 1.193 287 L HN 0.808 nan 8.230 nan 0.000 0.425 288 G N 1.925 110.753 108.800 0.047 0.000 4.379 288 G HA2 0.360 3.945 3.960 -0.626 0.000 0.290 288 G HA3 0.360 3.945 3.960 -0.626 0.000 0.290 288 G C 0.715 175.620 174.900 0.008 0.000 1.065 288 G CA 0.415 45.532 45.100 0.029 0.000 0.833 288 G HN 0.688 nan 8.290 nan 0.000 0.512 289 A N 0.077 122.897 122.820 -0.000 0.000 2.259 289 A HA 0.584 4.528 4.320 -0.626 0.000 0.208 289 A C 1.524 179.103 177.584 -0.009 0.000 1.201 289 A CA 0.991 53.019 52.037 -0.015 0.000 0.824 289 A CB -0.602 18.382 19.000 -0.026 0.000 0.838 289 A HN 1.866 nan 8.150 nan 0.000 0.485 290 G N -1.456 107.352 108.800 0.014 0.000 2.746 290 G HA2 -0.066 3.518 3.960 -0.626 0.000 0.685 290 G HA3 -0.066 3.518 3.960 -0.626 0.000 0.685 290 G C 0.768 175.690 174.900 0.036 0.000 1.350 290 G CA 0.236 45.361 45.100 0.042 0.000 0.837 290 G HN 1.015 nan 8.290 nan 0.000 0.564 291 S N -0.906 114.850 115.700 0.093 0.000 2.365 291 S HA -0.132 3.963 4.470 -0.626 0.000 0.225 291 S C 2.532 177.123 174.600 -0.014 0.000 1.039 291 S CA 2.350 60.627 58.200 0.127 0.000 1.033 291 S CB -0.381 63.003 63.200 0.305 0.000 0.887 291 S HN 0.733 nan 8.310 nan 0.000 0.447 292 L N 0.335 121.560 121.223 0.002 0.000 2.023 292 L HA 0.107 4.072 4.340 -0.626 0.000 0.205 292 L C 2.990 179.739 176.870 -0.202 0.000 1.073 292 L CA 1.220 55.966 54.840 -0.157 0.000 0.745 292 L CB -1.376 40.730 42.059 0.077 0.000 0.900 292 L HN 0.484 nan 8.230 nan 0.000 0.435 293 G N -0.533 108.214 108.800 -0.088 0.000 2.421 293 G HA2 -0.220 3.365 3.960 -0.626 0.000 0.216 293 G HA3 -0.220 3.365 3.960 -0.626 0.000 0.216 293 G C 1.755 176.597 174.900 -0.095 0.000 1.171 293 G CA 0.932 45.986 45.100 -0.077 0.000 0.775 293 G HN 0.308 nan 8.290 nan 0.000 0.543 294 S N 0.203 115.850 115.700 -0.089 0.000 2.383 294 S HA -0.085 4.010 4.470 -0.626 0.000 0.227 294 S C 2.557 177.082 174.600 -0.125 0.000 1.026 294 S CA 1.638 59.788 58.200 -0.084 0.000 0.981 294 S CB -0.364 62.807 63.200 -0.047 0.000 0.818 294 S HN 0.439 nan 8.310 nan 0.000 0.472 295 T N 1.652 116.086 114.554 -0.202 0.000 2.777 295 T HA -0.100 3.874 4.350 -0.626 0.000 0.266 295 T C 1.811 176.367 174.700 -0.241 0.000 1.040 295 T CA 1.323 63.265 62.100 -0.263 0.000 1.141 295 T CB -0.253 68.299 68.868 -0.526 0.000 0.868 295 T HN 0.551 nan 8.240 nan 0.000 0.444 296 E N 0.690 120.733 120.200 -0.262 0.000 2.110 296 E HA -0.088 3.886 4.350 -0.626 0.000 0.193 296 E C 2.131 178.691 176.600 -0.066 0.000 0.988 296 E CA 0.757 57.088 56.400 -0.116 0.000 0.804 296 E CB -0.219 29.445 29.700 -0.061 0.000 0.745 296 E HN 0.423 nan 8.360 nan 0.000 0.458 297 L N 0.507 121.679 121.223 -0.085 0.000 2.046 297 L HA -0.195 3.770 4.340 -0.626 0.000 0.208 297 L C 2.503 179.305 176.870 -0.114 0.000 1.077 297 L CA 0.881 55.671 54.840 -0.084 0.000 0.747 297 L CB -0.233 41.778 42.059 -0.080 0.000 0.896 297 L HN 0.286 nan 8.230 nan 0.000 0.432 298 L N -1.399 119.756 121.223 -0.113 0.000 2.095 298 L HA -0.133 3.831 4.340 -0.626 0.000 0.204 298 L C 2.444 179.250 176.870 -0.106 0.000 1.080 298 L CA 0.616 55.389 54.840 -0.112 0.000 0.759 298 L CB -0.422 41.583 42.059 -0.089 0.000 0.914 298 L HN 0.059 nan 8.230 nan 0.000 0.439 299 V N 0.025 119.889 119.914 -0.084 0.000 2.515 299 V HA -0.252 3.492 4.120 -0.626 0.000 0.250 299 V C 2.629 178.573 176.094 -0.250 0.000 1.058 299 V CA 1.665 63.927 62.300 -0.064 0.000 1.064 299 V CB -0.749 31.109 31.823 0.059 0.000 0.675 299 V HN 0.464 nan 8.190 nan 0.000 0.461 300 R N 0.701 120.996 120.500 -0.341 0.000 2.062 300 R HA -0.140 3.825 4.340 -0.626 0.000 0.231 300 R C 2.345 178.344 176.300 -0.503 0.000 1.136 300 R CA 1.711 57.373 56.100 -0.730 0.000 0.948 300 R CB -0.499 29.595 30.300 -0.343 0.000 0.845 300 R HN 0.432 nan 8.270 nan 0.000 0.430 301 A N 1.420 124.079 122.820 -0.269 0.000 1.908 301 A HA -0.211 3.733 4.320 -0.626 0.000 0.218 301 A C 2.265 179.760 177.584 -0.147 0.000 1.181 301 A CA 1.588 53.515 52.037 -0.182 0.000 0.627 301 A CB -0.652 18.255 19.000 -0.155 0.000 0.818 301 A HN 0.461 nan 8.150 nan 0.000 0.445 302 R N -0.434 119.986 120.500 -0.134 0.000 2.062 302 R HA -0.164 3.800 4.340 -0.626 0.000 0.231 302 R C 1.386 177.641 176.300 -0.075 0.000 1.136 302 R CA 1.960 58.022 56.100 -0.063 0.000 0.948 302 R CB -0.402 29.881 30.300 -0.029 0.000 0.845 302 R HN 0.405 nan 8.270 nan 0.000 0.430 303 D N -0.507 119.806 120.400 -0.145 0.000 2.219 303 D HA -0.098 4.166 4.640 -0.626 0.000 0.205 303 D C 1.593 177.845 176.300 -0.079 0.000 0.970 303 D CA 1.749 55.695 54.000 -0.090 0.000 0.851 303 D CB -0.021 40.762 40.800 -0.028 0.000 0.943 303 D HN 0.474 nan 8.370 nan 0.000 0.488 304 T N -3.796 110.653 114.554 -0.175 0.000 3.107 304 T HA 0.328 4.303 4.350 -0.626 0.000 0.249 304 T C 1.638 176.316 174.700 -0.037 0.000 1.096 304 T CA 0.454 62.507 62.100 -0.078 0.000 1.012 304 T CB 0.371 69.175 68.868 -0.106 0.000 0.977 304 T HN 0.167 nan 8.240 nan 0.000 0.527 305 G N 1.477 110.254 108.800 -0.038 0.000 2.143 305 G HA2 -0.331 3.254 3.960 -0.626 0.000 0.248 305 G HA3 -0.331 3.254 3.960 -0.626 0.000 0.248 305 G C 0.909 175.808 174.900 -0.002 0.000 0.991 305 G CA 0.912 46.008 45.100 -0.006 0.000 0.689 305 G HN 0.920 nan 8.290 nan 0.000 0.522 306 T N -2.124 112.415 114.554 -0.025 0.000 3.054 306 T HA 0.448 4.423 4.350 -0.626 0.000 0.259 306 T C 1.131 175.825 174.700 -0.010 0.000 1.092 306 T CA 0.979 63.067 62.100 -0.019 0.000 1.121 306 T CB 0.233 69.077 68.868 -0.040 0.000 0.912 306 T HN 0.551 nan 8.240 nan 0.000 0.489 307 L N 2.221 123.436 121.223 -0.013 0.000 2.551 307 L HA 0.343 4.307 4.340 -0.626 0.000 0.248 307 L C -1.870 175.094 176.870 0.156 0.000 1.509 307 L CA -1.787 53.065 54.840 0.020 0.000 0.842 307 L CB 1.918 43.848 42.059 -0.214 0.000 1.087 307 L HN -0.026 nan 8.230 nan 0.000 0.512 308 P HA -0.119 nan 4.420 nan 0.000 0.225 308 P C 0.499 177.867 177.300 0.113 0.000 1.148 308 P CA 1.086 64.252 63.100 0.110 0.000 0.779 308 P CB 0.322 32.066 31.700 0.074 0.000 0.780 309 N N -0.335 118.472 118.700 0.178 0.000 2.322 309 N HA 0.110 4.475 4.740 -0.626 0.000 0.194 309 N C 0.645 176.204 175.510 0.082 0.000 1.126 309 N CA 0.054 53.106 53.050 0.004 0.000 0.845 309 N CB -0.217 38.064 38.487 -0.343 0.000 0.976 309 N HN 0.280 nan 8.380 nan 0.000 0.475 310 L N 1.882 123.238 121.223 0.222 0.000 2.416 310 L HA 0.056 4.020 4.340 -0.626 0.000 0.272 310 L C 0.895 177.810 176.870 0.076 0.000 1.161 310 L CA -0.576 54.364 54.840 0.167 0.000 0.845 310 L CB 0.251 42.383 42.059 0.123 0.000 1.119 310 L HN 0.171 nan 8.230 nan 0.000 0.464 311 N N 0.414 119.148 118.700 0.057 0.000 2.327 311 N HA 0.011 4.375 4.740 -0.626 0.000 0.257 311 N C 0.787 176.321 175.510 0.041 0.000 1.281 311 N CA -0.103 52.969 53.050 0.038 0.000 0.942 311 N CB 0.431 38.935 38.487 0.028 0.000 1.199 311 N HN 0.550 nan 8.380 nan 0.000 0.532 312 S N -1.804 113.918 115.700 0.036 0.000 2.481 312 S HA -0.057 4.038 4.470 -0.626 0.000 0.231 312 S C 0.992 175.621 174.600 0.049 0.000 0.996 312 S CA 0.333 58.557 58.200 0.041 0.000 0.942 312 S CB -0.361 62.860 63.200 0.035 0.000 0.768 312 S HN 0.567 nan 8.310 nan 0.000 0.520 313 E N 1.353 121.582 120.200 0.047 0.000 2.274 313 E HA 0.099 4.074 4.350 -0.626 0.000 0.194 313 E C 0.314 176.954 176.600 0.067 0.000 0.996 313 E CA 0.160 56.592 56.400 0.054 0.000 0.840 313 E CB -0.333 29.393 29.700 0.044 0.000 0.772 313 E HN 0.388 nan 8.360 nan 0.000 0.491 314 V N 1.234 121.183 119.914 0.059 0.000 2.493 314 V HA 0.143 3.887 4.120 -0.626 0.000 0.292 314 V C 1.501 177.647 176.094 0.087 0.000 1.016 314 V CA 1.397 63.732 62.300 0.058 0.000 1.097 314 V CB 0.289 32.134 31.823 0.036 0.000 0.947 314 V HN 0.541 nan 8.190 nan 0.000 0.479 315 G N 3.768 112.641 108.800 0.122 0.000 2.254 315 G HA2 -0.089 3.496 3.960 -0.626 0.000 0.225 315 G HA3 -0.089 3.496 3.960 -0.626 0.000 0.225 315 G C 0.393 175.461 174.900 0.279 0.000 1.003 315 G CA 0.176 45.406 45.100 0.217 0.000 0.622 315 G HN 1.369 nan 8.290 nan 0.000 0.507 316 A N -0.143 122.792 122.820 0.192 0.000 2.246 316 A HA 0.800 4.745 4.320 -0.626 0.000 0.291 316 A C 1.898 179.604 177.584 0.203 0.000 1.103 316 A CA 1.082 53.224 52.037 0.176 0.000 0.844 316 A CB 0.251 19.320 19.000 0.114 0.000 1.136 316 A HN 2.280 nan 8.150 nan 0.000 0.500 317 G N -1.968 106.941 108.800 0.182 0.000 2.221 317 G HA2 -0.245 3.340 3.960 -0.626 0.000 0.265 317 G HA3 -0.245 3.340 3.960 -0.626 0.000 0.265 317 G C -0.107 174.920 174.900 0.212 0.000 1.041 317 G CA 0.679 45.878 45.100 0.165 0.000 0.807 317 G HN 1.280 nan 8.290 nan 0.000 0.502 318 W N 0.510 121.864 121.300 0.091 0.000 2.316 318 W HA 0.588 4.872 4.660 -0.627 0.000 0.321 318 W C 0.502 177.025 176.519 0.006 0.000 1.203 318 W CA 0.395 57.779 57.345 0.066 0.000 1.214 318 W CB 1.376 30.852 29.460 0.026 0.000 1.169 318 W HN 0.623 nan 8.180 nan 0.000 0.561 319 G N 5.363 113.545 108.800 -1.030 0.000 2.706 319 G HA2 0.394 3.979 3.960 -0.626 0.000 0.297 319 G HA3 0.394 3.979 3.960 -0.626 0.000 0.297 319 G C -2.747 171.190 174.900 -1.605 0.000 1.403 319 G CA -1.253 43.222 45.100 -1.042 0.000 0.954 319 G HN 0.302 nan 8.290 nan 0.000 0.500 320 P HA 0.089 nan 4.420 nan 0.000 0.249 320 P C 0.427 177.466 177.300 -0.435 0.000 1.544 320 P CA -0.372 62.192 63.100 -0.893 0.000 0.932 320 P CB 0.021 31.289 31.700 -0.720 0.000 1.524 321 N N 0.972 119.474 118.700 -0.330 0.000 2.708 321 N HA -0.201 4.163 4.740 -0.626 0.000 0.249 321 N C 0.930 176.420 175.510 -0.034 0.000 1.097 321 N CA 1.353 54.343 53.050 -0.100 0.000 0.710 321 N CB -2.004 36.501 38.487 0.031 0.000 1.032 321 N HN 0.393 nan 8.380 nan 0.000 0.551 322 G N -0.669 108.084 108.800 -0.078 0.000 2.258 322 G HA2 -0.382 3.202 3.960 -0.626 0.000 0.274 322 G HA3 -0.382 3.202 3.960 -0.626 0.000 0.274 322 G C -0.016 174.864 174.900 -0.034 0.000 1.021 322 G CA 0.446 45.545 45.100 -0.001 0.000 0.798 322 G HN 0.803 nan 8.290 nan 0.000 0.507 323 N N 0.085 118.671 118.700 -0.191 0.000 2.440 323 N HA 0.348 4.712 4.740 -0.626 0.000 0.265 323 N C -0.098 175.250 175.510 -0.270 0.000 1.239 323 N CA 0.030 52.894 53.050 -0.310 0.000 0.909 323 N CB 0.451 38.493 38.487 -0.740 0.000 1.066 323 N HN 0.127 nan 8.380 nan 0.000 0.474 324 I N 2.766 123.357 120.570 0.035 0.000 2.607 324 I HA 0.273 4.068 4.170 -0.626 0.000 0.290 324 I C -0.384 175.920 176.117 0.311 0.000 1.129 324 I CA -0.341 61.085 61.300 0.210 0.000 1.042 324 I CB 1.906 40.025 38.000 0.199 0.000 1.242 324 I HN 0.541 nan 8.210 nan 0.000 0.421 325 M N 4.673 124.429 119.600 0.259 0.000 2.364 325 M HA 0.591 4.695 4.480 -0.626 0.000 0.334 325 M C -0.723 175.558 176.300 -0.031 0.000 1.107 325 M CA 0.049 55.359 55.300 0.017 0.000 0.988 325 M CB 2.023 34.404 32.600 -0.365 0.000 1.673 325 M HN 0.753 nan 8.290 nan 0.000 0.441 326 T N 2.618 117.181 114.554 0.015 0.000 2.816 326 T HA 0.924 4.899 4.350 -0.626 0.000 0.299 326 T C -2.121 172.562 174.700 -0.029 0.000 1.230 326 T CA -0.465 61.550 62.100 -0.142 0.000 1.007 326 T CB 1.791 70.300 68.868 -0.599 0.000 1.289 326 T HN 0.880 nan 8.240 nan 0.000 0.508 327 A N 1.883 124.657 122.820 -0.077 0.000 2.572 327 A HA 0.869 4.814 4.320 -0.626 0.000 0.295 327 A C -1.190 176.431 177.584 0.062 0.000 1.072 327 A CA -0.779 51.259 52.037 0.002 0.000 0.691 327 A CB 1.580 20.536 19.000 -0.074 0.000 1.291 327 A HN 0.790 nan 8.150 nan 0.000 0.404 328 R N 0.355 120.917 120.500 0.105 0.000 2.670 328 R HA 0.696 4.660 4.340 -0.626 0.000 0.289 328 R C -0.363 175.938 176.300 0.001 0.000 0.965 328 R CA -0.581 55.548 56.100 0.049 0.000 0.899 328 R CB 2.325 32.688 30.300 0.104 0.000 1.173 328 R HN 0.904 nan 8.270 nan 0.000 0.456 329 A N 2.796 125.593 122.820 -0.038 0.000 2.276 329 A HA 0.293 4.238 4.320 -0.626 0.000 0.300 329 A C -0.459 177.051 177.584 -0.122 0.000 1.235 329 A CA -0.543 51.473 52.037 -0.035 0.000 0.867 329 A CB 0.070 19.056 19.000 -0.022 0.000 1.137 329 A HN 0.801 nan 8.150 nan 0.000 0.527 330 N N 1.242 119.893 118.700 -0.082 0.000 2.483 330 N HA 0.282 4.646 4.740 -0.626 0.000 0.269 330 N C -0.119 175.200 175.510 -0.318 0.000 1.209 330 N CA -0.427 52.505 53.050 -0.195 0.000 0.969 330 N CB 0.393 38.862 38.487 -0.029 0.000 1.173 330 N HN 0.689 nan 8.380 nan 0.000 0.475 331 H N 1.030 119.815 119.070 -0.475 0.000 2.757 331 H HA 0.026 4.206 4.556 -0.626 0.000 0.370 331 H C 1.051 175.929 175.328 -0.749 0.000 1.172 331 H CA 0.129 55.595 56.048 -0.970 0.000 1.426 331 H CB 0.572 29.059 29.762 -2.124 0.000 1.438 331 H HN 0.523 nan 8.280 nan 0.000 0.612 332 M N 0.793 120.053 119.600 -0.567 0.000 2.202 332 M HA -0.153 3.952 4.480 -0.626 0.000 0.262 332 M C 1.708 178.108 176.300 0.168 0.000 1.063 332 M CA 1.316 56.446 55.300 -0.282 0.000 1.097 332 M CB -0.791 31.717 32.600 -0.153 0.000 1.382 332 M HN 0.758 nan 8.290 nan 0.000 0.413 333 W N -0.179 121.211 121.300 0.149 0.000 3.077 333 W HA 0.129 4.423 4.660 -0.610 0.000 0.245 333 W C 0.070 176.689 176.519 0.167 0.000 1.316 333 W CA -0.197 57.231 57.345 0.138 0.000 1.537 333 W CB -0.764 28.734 29.460 0.064 0.000 1.131 333 W HN 0.054 nan 8.180 nan 0.000 0.695 334 N N 2.308 121.071 118.700 0.105 0.000 2.818 334 N HA 0.194 4.558 4.740 -0.626 0.000 0.301 334 N C -2.766 172.818 175.510 0.123 0.000 1.821 334 N CA -1.509 51.601 53.050 0.100 0.000 0.930 334 N CB 0.424 38.914 38.487 0.005 0.000 1.263 334 N HN 0.001 nan 8.380 nan 0.000 0.487 335 P HA 0.082 nan 4.420 nan 0.000 0.271 335 P C 0.823 178.005 177.300 -0.197 0.000 1.216 335 P CA -0.011 62.970 63.100 -0.199 0.000 0.776 335 P CB 1.076 32.624 31.700 -0.254 0.000 0.881 336 T N -1.033 113.355 114.554 -0.277 0.000 3.081 336 T HA 0.345 4.319 4.350 -0.626 0.000 0.255 336 T C 0.909 175.496 174.700 -0.187 0.000 1.113 336 T CA 0.346 62.350 62.100 -0.159 0.000 1.082 336 T CB -0.775 68.021 68.868 -0.120 0.000 0.939 336 T HN 0.855 nan 8.240 nan 0.000 0.506 337 G N 0.129 108.734 108.800 -0.325 0.000 2.712 337 G HA2 0.275 3.860 3.960 -0.626 0.000 0.686 337 G HA3 0.275 3.860 3.960 -0.626 0.000 0.686 337 G C 0.465 175.112 174.900 -0.422 0.000 1.181 337 G CA -0.489 44.401 45.100 -0.350 0.000 0.762 337 G HN 0.727 nan 8.290 nan 0.000 0.641 338 A N 0.998 123.507 122.820 -0.519 0.000 2.021 338 A HA 0.320 4.264 4.320 -0.626 0.000 0.216 338 A C 0.922 178.221 177.584 -0.475 0.000 1.163 338 A CA 1.346 53.058 52.037 -0.541 0.000 0.676 338 A CB -0.068 18.552 19.000 -0.633 0.000 0.818 338 A HN 0.895 nan 8.150 nan 0.000 0.453 339 H N 0.921 119.730 119.070 -0.436 0.000 2.641 339 H HA 0.514 4.707 4.556 -0.605 0.000 0.295 339 H C -0.770 174.346 175.328 -0.354 0.000 1.070 339 H CA -0.194 55.484 56.048 -0.617 0.000 1.257 339 H CB 0.266 29.171 29.762 -1.428 0.000 1.393 339 H HN 0.465 nan 8.280 nan 0.000 0.464 340 Q N 1.486 121.324 119.800 0.064 0.000 2.310 340 Q HA 0.255 4.220 4.340 -0.626 0.000 0.270 340 Q C -0.116 175.947 176.000 0.104 0.000 1.025 340 Q CA -0.703 55.104 55.803 0.008 0.000 0.772 340 Q CB 2.895 31.380 28.738 -0.423 0.000 1.253 340 Q HN 0.493 nan 8.270 nan 0.000 0.450 341 S N 1.027 116.786 115.700 0.098 0.000 2.546 341 S HA 0.006 4.101 4.470 -0.626 0.000 0.290 341 S C 0.798 175.345 174.600 -0.089 0.000 1.290 341 S CA -0.081 58.082 58.200 -0.063 0.000 1.069 341 S CB 0.512 63.528 63.200 -0.307 0.000 0.846 341 S HN 0.686 nan 8.310 nan 0.000 0.495 342 S N 3.964 119.604 115.700 -0.101 0.000 2.507 342 S HA 0.089 4.184 4.470 -0.626 0.000 0.235 342 S C 0.573 175.149 174.600 -0.041 0.000 0.988 342 S CA 0.358 58.496 58.200 -0.103 0.000 0.944 342 S CB -0.166 62.967 63.200 -0.111 0.000 0.762 342 S HN 0.633 nan 8.310 nan 0.000 0.526 343 I N 3.000 123.576 120.570 0.009 0.000 2.312 343 I HA 0.354 4.149 4.170 -0.626 0.000 0.290 343 I C -2.654 173.723 176.117 0.433 0.000 1.008 343 I CA -3.246 58.126 61.300 0.120 0.000 1.226 343 I CB 0.577 38.534 38.000 -0.071 0.000 1.371 343 I HN -0.157 nan 8.210 nan 0.000 0.468 344 P HA 0.193 nan 4.420 nan 0.000 0.272 344 P C 0.042 177.652 177.300 0.516 0.000 1.223 344 P CA 0.015 63.438 63.100 0.538 0.000 0.784 344 P CB 1.148 33.077 31.700 0.381 0.000 0.923 345 A N 1.720 124.798 122.820 0.430 0.000 2.377 345 A HA 0.300 4.244 4.320 -0.626 0.000 0.209 345 A C -0.138 177.468 177.584 0.037 0.000 1.359 345 A CA 0.477 52.619 52.037 0.174 0.000 1.026 345 A CB 0.052 18.916 19.000 -0.227 0.000 1.224 345 A HN 0.428 nan 8.150 nan 0.000 0.528 346 L N -0.777 120.478 121.223 0.055 0.000 2.354 346 L HA 0.824 4.788 4.340 -0.626 0.000 0.264 346 L C 0.047 176.952 176.870 0.059 0.000 1.008 346 L CA -0.046 54.754 54.840 -0.068 0.000 0.819 346 L CB 1.991 43.959 42.059 -0.151 0.000 1.339 346 L HN 0.229 nan 8.230 nan 0.000 0.420 347 G N 2.549 111.343 108.800 -0.010 0.000 2.672 347 G HA2 0.619 4.203 3.960 -0.626 0.000 0.292 347 G HA3 0.619 4.203 3.960 -0.626 0.000 0.292 347 G C -1.646 173.150 174.900 -0.174 0.000 1.375 347 G CA -0.512 44.591 45.100 0.006 0.000 0.890 347 G HN 0.456 nan 8.290 nan 0.000 0.476 348 I N 1.373 121.819 120.570 -0.207 0.000 2.328 348 I HA 0.202 3.996 4.170 -0.626 0.000 0.287 348 I C -0.880 174.918 176.117 -0.531 0.000 1.012 348 I CA -0.522 60.614 61.300 -0.274 0.000 1.195 348 I CB 1.755 39.660 38.000 -0.159 0.000 1.350 348 I HN 0.283 nan 8.210 nan 0.000 0.464 349 D N 6.676 126.744 120.400 -0.554 0.000 2.456 349 D HA 0.415 4.680 4.640 -0.626 0.000 0.219 349 D C 0.132 176.310 176.300 -0.203 0.000 1.126 349 D CA -0.199 53.455 54.000 -0.577 0.000 0.890 349 D CB 1.311 41.849 40.800 -0.436 0.000 1.025 349 D HN 0.606 nan 8.370 nan 0.000 0.511 350 A N 5.136 127.890 122.820 -0.109 0.000 2.749 350 A HA 0.146 4.090 4.320 -0.626 0.000 0.299 350 A C -0.473 177.127 177.584 0.026 0.000 1.105 350 A CA -0.784 51.217 52.037 -0.060 0.000 0.987 350 A CB -0.091 18.834 19.000 -0.124 0.000 1.180 350 A HN 0.550 nan 8.150 nan 0.000 0.528 351 W N 2.488 123.768 121.300 -0.033 0.000 2.308 351 W HA 0.397 4.681 4.660 -0.628 0.000 0.311 351 W C -0.988 175.515 176.519 -0.027 0.000 1.088 351 W CA -0.267 57.072 57.345 -0.009 0.000 1.309 351 W CB 1.247 30.756 29.460 0.083 0.000 1.229 351 W HN 0.574 nan 8.180 nan 0.000 0.427 352 D N 2.367 122.659 120.400 -0.180 0.000 2.535 352 D HA 0.044 4.308 4.640 -0.626 0.000 0.229 352 D C 0.326 176.554 176.300 -0.120 0.000 1.238 352 D CA -0.295 53.667 54.000 -0.064 0.000 0.824 352 D CB -0.627 40.129 40.800 -0.073 0.000 1.045 352 D HN 0.674 nan 8.370 nan 0.000 0.500 353 N N -0.835 117.645 118.700 -0.366 0.000 2.965 353 N HA -0.210 4.155 4.740 -0.626 0.000 0.232 353 N C -0.070 175.295 175.510 -0.242 0.000 0.913 353 N CA 0.911 53.840 53.050 -0.202 0.000 0.981 353 N CB -1.108 37.475 38.487 0.160 0.000 1.077 353 N HN 0.451 nan 8.380 nan 0.000 0.589 354 S N -0.089 115.423 115.700 -0.313 0.000 2.686 354 S HA 0.256 4.350 4.470 -0.626 0.000 0.270 354 S C 0.742 175.164 174.600 -0.297 0.000 1.194 354 S CA -0.490 57.576 58.200 -0.222 0.000 0.990 354 S CB 1.117 64.216 63.200 -0.168 0.000 1.029 354 S HN 0.018 nan 8.310 nan 0.000 0.560 355 D N 0.814 121.099 120.400 -0.191 0.000 2.310 355 D HA -0.030 4.234 4.640 -0.626 0.000 0.212 355 D C 1.658 177.835 176.300 -0.205 0.000 0.965 355 D CA 1.376 55.270 54.000 -0.177 0.000 0.879 355 D CB -0.325 40.414 40.800 -0.102 0.000 0.921 355 D HN 0.660 nan 8.370 nan 0.000 0.510 356 S N -0.846 114.723 115.700 -0.218 0.000 2.605 356 S HA 0.104 4.199 4.470 -0.626 0.000 0.217 356 S C 0.846 175.286 174.600 -0.267 0.000 0.958 356 S CA -0.515 57.569 58.200 -0.195 0.000 0.919 356 S CB 0.195 63.307 63.200 -0.145 0.000 0.780 356 S HN -0.179 nan 8.310 nan 0.000 0.507 357 S N 1.684 117.108 115.700 -0.461 0.000 2.546 357 S HA 0.369 4.463 4.470 -0.626 0.000 0.290 357 S C -0.311 174.053 174.600 -0.393 0.000 1.290 357 S CA -0.141 57.643 58.200 -0.694 0.000 1.069 357 S CB 0.650 62.798 63.200 -1.753 0.000 0.846 357 S HN 0.384 nan 8.310 nan 0.000 0.495 358 V N 4.519 124.392 119.914 -0.069 0.000 2.711 358 V HA 0.405 4.150 4.120 -0.626 0.000 0.304 358 V C -1.141 175.151 176.094 0.331 0.000 1.097 358 V CA -0.683 61.721 62.300 0.174 0.000 0.906 358 V CB 1.684 33.534 31.823 0.046 0.000 1.015 358 V HN 0.832 nan 8.190 nan 0.000 0.427 359 F N 4.326 124.478 119.950 0.337 0.000 2.430 359 F HA 0.800 4.951 4.527 -0.627 0.000 0.362 359 F C 0.291 176.215 175.800 0.206 0.000 1.103 359 F CA -0.370 57.766 58.000 0.226 0.000 1.045 359 F CB 0.983 40.070 39.000 0.145 0.000 1.276 359 F HN 0.608 nan 8.300 nan 0.000 0.444 360 A N 5.933 128.893 122.820 0.235 0.000 2.304 360 A HA 0.419 4.363 4.320 -0.626 0.000 0.323 360 A C -0.823 176.977 177.584 0.361 0.000 1.195 360 A CA -0.669 51.590 52.037 0.370 0.000 0.826 360 A CB 1.037 20.305 19.000 0.446 0.000 1.184 360 A HN 0.722 nan 8.150 nan 0.000 0.496 361 Q N 3.363 123.414 119.800 0.418 0.000 2.294 361 Q HA 0.370 4.335 4.340 -0.626 0.000 0.257 361 Q C -1.115 175.117 176.000 0.386 0.000 0.955 361 Q CA -0.266 55.763 55.803 0.376 0.000 0.936 361 Q CB 0.437 29.387 28.738 0.353 0.000 1.188 361 Q HN 0.681 nan 8.270 nan 0.000 0.420 362 I N 4.019 124.805 120.570 0.360 0.000 2.460 362 I HA 0.088 3.883 4.170 -0.626 0.000 0.297 362 I C 0.245 176.579 176.117 0.362 0.000 1.139 362 I CA -0.110 61.386 61.300 0.327 0.000 1.340 362 I CB 0.276 38.445 38.000 0.282 0.000 1.444 362 I HN 0.603 nan 8.210 nan 0.000 0.557 363 A N 10.050 132.991 122.820 0.202 0.000 2.331 363 A HA 0.626 4.571 4.320 -0.626 0.000 0.283 363 A C -2.260 175.291 177.584 -0.056 0.000 1.142 363 A CA -1.396 50.723 52.037 0.137 0.000 0.812 363 A CB 0.133 19.175 19.000 0.069 0.000 1.074 363 A HN 0.405 nan 8.150 nan 0.000 0.497 364 P HA 0.352 nan 4.420 nan 0.000 0.276 364 P C -0.797 176.223 177.300 -0.466 0.000 1.244 364 P CA -0.134 62.450 63.100 -0.859 0.000 0.801 364 P CB 0.896 32.054 31.700 -0.904 0.000 1.006 365 M N 2.474 121.776 119.600 -0.496 0.000 2.311 365 M HA 0.285 4.389 4.480 -0.626 0.000 0.325 365 M C -1.595 174.518 176.300 -0.311 0.000 1.061 365 M CA -1.980 53.111 55.300 -0.349 0.000 0.957 365 M CB 2.832 35.192 32.600 -0.400 0.000 1.646 365 M HN 0.218 nan 8.290 nan 0.000 0.434 366 P HA 0.049 nan 4.420 nan 0.000 0.245 366 P C 0.901 178.127 177.300 -0.124 0.000 1.212 366 P CA 0.586 63.604 63.100 -0.137 0.000 0.774 366 P CB 0.073 31.723 31.700 -0.084 0.000 0.999 367 A N 1.219 123.912 122.820 -0.212 0.000 1.971 367 A HA -0.056 3.888 4.320 -0.626 0.000 0.222 367 A C 2.109 179.598 177.584 -0.158 0.000 1.182 367 A CA 2.434 54.342 52.037 -0.216 0.000 0.649 367 A CB -1.796 16.863 19.000 -0.567 0.000 0.818 367 A HN 0.342 nan 8.150 nan 0.000 0.458 368 G N -2.828 105.863 108.800 -0.183 0.000 2.179 368 G HA2 -0.142 3.442 3.960 -0.626 0.000 0.260 368 G HA3 -0.142 3.442 3.960 -0.626 0.000 0.260 368 G C 0.058 174.840 174.900 -0.197 0.000 0.977 368 G CA 0.890 45.918 45.100 -0.119 0.000 0.641 368 G HN 1.638 nan 8.290 nan 0.000 0.533 369 L N -2.931 118.130 121.223 -0.271 0.000 2.359 369 L HA 0.984 4.948 4.340 -0.626 0.000 0.256 369 L C -0.184 176.433 176.870 -0.423 0.000 1.026 369 L CA -2.000 52.664 54.840 -0.294 0.000 0.828 369 L CB 1.013 42.967 42.059 -0.174 0.000 1.406 369 L HN -0.012 nan 8.230 nan 0.000 0.413 370 E N 0.110 120.024 120.200 -0.476 0.000 2.351 370 E HA 0.312 4.286 4.350 -0.626 0.000 0.266 370 E C 0.572 176.763 176.600 -0.682 0.000 1.031 370 E CA 0.891 56.848 56.400 -0.739 0.000 0.911 370 E CB 0.778 29.865 29.700 -1.021 0.000 0.986 370 E HN 0.820 nan 8.360 nan 0.000 0.446 371 T N 0.978 115.156 114.554 -0.626 0.000 2.975 371 T HA 0.059 4.034 4.350 -0.626 0.000 0.261 371 T C 0.490 175.255 174.700 0.107 0.000 0.984 371 T CA -0.013 61.940 62.100 -0.245 0.000 0.911 371 T CB -0.264 68.177 68.868 -0.712 0.000 1.127 371 T HN 0.627 nan 8.240 nan 0.000 0.514 372 W N 0.840 122.038 121.300 -0.170 0.000 3.207 372 W HA -0.224 4.184 4.660 -0.421 0.000 0.291 372 W C -0.699 175.736 176.519 -0.139 0.000 1.105 372 W CA 0.107 57.370 57.345 -0.137 0.000 0.612 372 W CB -2.131 27.264 29.460 -0.108 0.000 2.140 372 W HN 0.234 nan 8.180 nan 0.000 1.420 373 V N 1.225 121.115 119.914 -0.041 0.000 2.465 373 V HA 0.375 4.119 4.120 -0.626 0.000 0.279 373 V C 0.808 176.819 176.094 -0.138 0.000 1.045 373 V CA -0.050 62.208 62.300 -0.071 0.000 0.938 373 V CB 1.745 33.510 31.823 -0.098 0.000 0.986 373 V HN -0.015 nan 8.190 nan 0.000 0.467 374 S N 4.840 120.463 115.700 -0.127 0.000 2.433 374 S HA 0.633 4.728 4.470 -0.626 0.000 0.310 374 S C -0.605 173.714 174.600 -0.467 0.000 1.097 374 S CA -0.355 57.689 58.200 -0.261 0.000 1.103 374 S CB 1.112 64.219 63.200 -0.155 0.000 0.992 374 S HN 0.528 nan 8.310 nan 0.000 0.469 375 L N 4.485 125.389 121.223 -0.531 0.000 2.325 375 L HA 0.687 4.652 4.340 -0.626 0.000 0.278 375 L C -1.743 174.771 176.870 -0.594 0.000 1.023 375 L CA -0.351 54.241 54.840 -0.414 0.000 0.811 375 L CB 0.769 42.712 42.059 -0.194 0.000 1.249 375 L HN 0.615 nan 8.230 nan 0.000 0.431 376 Y N 4.284 124.574 120.300 -0.016 0.000 2.492 376 Y HA 0.543 4.726 4.550 -0.611 0.000 0.346 376 Y C -0.784 175.158 175.900 0.070 0.000 0.997 376 Y CA -0.736 57.388 58.100 0.039 0.000 1.025 376 Y CB 1.841 40.249 38.460 -0.087 0.000 1.263 376 Y HN 0.414 nan 8.280 nan 0.000 0.454 377 L N 3.171 124.586 121.223 0.319 0.000 2.318 377 L HA 0.825 4.789 4.340 -0.626 0.000 0.277 377 L C -0.576 176.495 176.870 0.336 0.000 1.008 377 L CA -0.632 54.371 54.840 0.272 0.000 0.846 377 L CB 0.553 42.756 42.059 0.239 0.000 1.220 377 L HN 0.875 nan 8.230 nan 0.000 0.423 378 A N 6.249 129.269 122.820 0.332 0.000 2.309 378 A HA 0.657 4.601 4.320 -0.626 0.000 0.298 378 A C -0.502 177.250 177.584 0.280 0.000 1.165 378 A CA -0.424 51.828 52.037 0.358 0.000 0.821 378 A CB 0.504 19.749 19.000 0.409 0.000 1.102 378 A HN 0.711 nan 8.150 nan 0.000 0.500 379 I N 2.870 123.635 120.570 0.324 0.000 2.355 379 I HA 0.355 4.149 4.170 -0.626 0.000 0.288 379 I C 0.590 176.958 176.117 0.419 0.000 0.999 379 I CA -0.178 61.296 61.300 0.289 0.000 1.163 379 I CB 1.875 40.014 38.000 0.231 0.000 1.316 379 I HN 0.841 nan 8.210 nan 0.000 0.454 380 T N 2.035 116.788 114.554 0.332 0.000 2.905 380 T HA 0.448 4.423 4.350 -0.626 0.000 0.283 380 T C -0.441 174.426 174.700 0.279 0.000 1.031 380 T CA -0.986 61.279 62.100 0.275 0.000 1.002 380 T CB 2.093 71.029 68.868 0.114 0.000 1.200 380 T HN 0.463 nan 8.240 nan 0.000 0.560 381 K N 1.475 121.881 120.400 0.011 0.000 2.354 381 K HA 0.329 4.274 4.320 -0.626 0.000 0.257 381 K C -1.008 175.612 176.600 0.032 0.000 1.062 381 K CA -0.556 55.754 56.287 0.038 0.000 0.971 381 K CB 0.113 32.465 32.500 -0.247 0.000 1.305 381 K HN 0.601 nan 8.250 nan 0.000 0.449 382 N N 4.871 123.628 118.700 0.095 0.000 2.442 382 N HA 0.263 4.627 4.740 -0.626 0.000 0.274 382 N C -1.776 173.795 175.510 0.102 0.000 1.002 382 N CA -2.101 50.998 53.050 0.082 0.000 0.910 382 N CB 1.708 40.261 38.487 0.110 0.000 1.244 382 N HN 0.340 nan 8.380 nan 0.000 0.492 383 P HA -0.077 nan 4.420 nan 0.000 0.226 383 P C -0.273 177.076 177.300 0.082 0.000 1.153 383 P CA 0.640 63.782 63.100 0.070 0.000 0.777 383 P CB 0.432 32.156 31.700 0.039 0.000 0.794 384 Q N 1.103 120.959 119.800 0.092 0.000 2.330 384 Q HA 0.106 4.070 4.340 -0.626 0.000 0.279 384 Q C 0.434 176.595 176.000 0.268 0.000 1.024 384 Q CA 0.818 56.673 55.803 0.087 0.000 0.900 384 Q CB 0.582 29.293 28.738 -0.046 0.000 1.221 384 Q HN 0.198 nan 8.270 nan 0.000 0.396 385 R N 0.376 121.019 120.500 0.239 0.000 2.795 385 R HA 0.710 4.674 4.340 -0.626 0.000 0.275 385 R C -0.117 176.429 176.300 0.410 0.000 0.981 385 R CA -0.691 55.630 56.100 0.368 0.000 0.917 385 R CB 1.889 32.309 30.300 0.200 0.000 1.202 385 R HN 0.739 nan 8.270 nan 0.000 0.469 386 G N -0.247 108.900 108.800 0.579 0.000 2.597 386 G HA2 0.616 4.200 3.960 -0.626 0.000 0.317 386 G HA3 0.616 4.200 3.960 -0.626 0.000 0.317 386 G C -1.080 173.919 174.900 0.166 0.000 1.230 386 G CA -0.242 45.111 45.100 0.422 0.000 0.996 386 G HN 0.311 nan 8.290 nan 0.000 0.490 387 T N 0.292 114.832 114.554 -0.023 0.000 2.881 387 T HA 0.426 4.401 4.350 -0.626 0.000 0.290 387 T C -1.149 173.431 174.700 -0.201 0.000 1.000 387 T CA -0.184 61.896 62.100 -0.034 0.000 0.978 387 T CB 1.228 70.117 68.868 0.034 0.000 0.997 387 T HN 0.252 nan 8.240 nan 0.000 0.443 388 F N 2.953 122.877 119.950 -0.044 0.000 2.424 388 F HA 0.458 4.609 4.527 -0.626 0.000 0.356 388 F C 0.660 176.454 175.800 -0.010 0.000 1.110 388 F CA -0.651 57.294 58.000 -0.092 0.000 1.161 388 F CB 0.827 39.769 39.000 -0.097 0.000 1.115 388 F HN 0.291 nan 8.300 nan 0.000 0.507 389 V N 2.205 122.204 119.914 0.141 0.000 2.495 389 V HA 0.447 4.192 4.120 -0.626 0.000 0.298 389 V C -0.954 175.242 176.094 0.170 0.000 1.031 389 V CA -1.162 61.217 62.300 0.133 0.000 0.871 389 V CB 1.118 32.979 31.823 0.062 0.000 0.988 389 V HN 0.606 nan 8.190 nan 0.000 0.432 390 Y N 3.301 123.640 120.300 0.065 0.000 2.377 390 Y HA 0.516 4.690 4.550 -0.626 0.000 0.330 390 Y C 0.057 175.985 175.900 0.046 0.000 1.108 390 Y CA -0.109 58.025 58.100 0.056 0.000 1.308 390 Y CB 1.181 39.666 38.460 0.042 0.000 1.216 390 Y HN 0.975 nan 8.280 nan 0.000 0.518 391 D N 4.875 124.894 120.400 -0.636 0.000 2.427 391 D HA 0.369 4.633 4.640 -0.626 0.000 0.226 391 D C 0.464 176.244 176.300 -0.866 0.000 1.076 391 D CA 0.077 53.770 54.000 -0.511 0.000 0.849 391 D CB 1.266 41.915 40.800 -0.253 0.000 1.052 391 D HN 0.710 nan 8.370 nan 0.000 0.515 392 A N 3.788 126.253 122.820 -0.593 0.000 2.019 392 A HA 0.037 3.981 4.320 -0.626 0.000 0.219 392 A C 2.088 179.577 177.584 -0.158 0.000 1.164 392 A CA 1.653 53.510 52.037 -0.300 0.000 0.644 392 A CB -0.511 18.509 19.000 0.033 0.000 0.805 392 A HN 0.636 nan 8.150 nan 0.000 0.449 393 A N -0.204 122.530 122.820 -0.144 0.000 1.858 393 A HA -0.110 3.835 4.320 -0.626 0.000 0.216 393 A C 2.356 179.896 177.584 -0.074 0.000 1.190 393 A CA 2.475 54.465 52.037 -0.078 0.000 0.617 393 A CB -1.197 17.766 19.000 -0.062 0.000 0.827 393 A HN 0.809 nan 8.150 nan 0.000 0.443 394 T N -4.309 110.181 114.554 -0.106 0.000 3.107 394 T HA 0.229 4.203 4.350 -0.626 0.000 0.249 394 T C 0.467 175.130 174.700 -0.062 0.000 1.096 394 T CA 0.960 63.019 62.100 -0.068 0.000 1.012 394 T CB -0.023 68.813 68.868 -0.053 0.000 0.977 394 T HN 0.489 nan 8.240 nan 0.000 0.527 395 D N 0.893 121.216 120.400 -0.128 0.000 2.772 395 D HA -0.154 4.111 4.640 -0.626 0.000 0.233 395 D C -0.628 175.708 176.300 0.059 0.000 1.143 395 D CA 0.504 54.500 54.000 -0.006 0.000 0.700 395 D CB -0.701 40.166 40.800 0.111 0.000 1.076 395 D HN 0.365 nan 8.370 nan 0.000 0.430 396 R N -0.343 120.112 120.500 -0.076 0.000 2.744 396 R HA 0.828 4.793 4.340 -0.626 0.000 0.279 396 R C -0.364 175.975 176.300 0.065 0.000 0.977 396 R CA -0.367 55.764 56.100 0.050 0.000 0.906 396 R CB 1.590 31.916 30.300 0.044 0.000 1.197 396 R HN 0.129 nan 8.270 nan 0.000 0.463 397 A N 2.848 125.788 122.820 0.200 0.000 2.309 397 A HA 0.393 4.338 4.320 -0.626 0.000 0.290 397 A C -0.244 177.504 177.584 0.274 0.000 1.206 397 A CA -0.324 51.862 52.037 0.248 0.000 0.850 397 A CB 0.286 19.429 19.000 0.238 0.000 1.118 397 A HN 0.499 nan 8.150 nan 0.000 0.523 398 K N 1.657 122.162 120.400 0.174 0.000 2.156 398 K HA 0.408 4.353 4.320 -0.626 0.000 0.271 398 K C -0.983 175.544 176.600 -0.122 0.000 0.995 398 K CA -0.724 55.633 56.287 0.116 0.000 0.890 398 K CB 1.768 34.306 32.500 0.064 0.000 1.073 398 K HN 0.534 nan 8.250 nan 0.000 0.454 399 L N 3.687 124.607 121.223 -0.505 0.000 2.261 399 L HA 0.210 4.175 4.340 -0.626 0.000 0.289 399 L C -0.885 175.706 176.870 -0.464 0.000 1.059 399 L CA -0.202 54.045 54.840 -0.987 0.000 0.816 399 L CB 0.190 41.120 42.059 -1.881 0.000 1.191 399 L HN 0.424 nan 8.230 nan 0.000 0.431 400 N N 6.743 125.247 118.700 -0.326 0.000 2.555 400 N HA 0.172 4.537 4.740 -0.626 0.000 0.244 400 N C -1.501 173.997 175.510 -0.020 0.000 1.114 400 N CA 0.054 53.030 53.050 -0.123 0.000 0.963 400 N CB 0.132 38.570 38.487 -0.081 0.000 1.276 400 N HN 0.632 nan 8.380 nan 0.000 0.510 401 W N 2.585 123.772 121.300 -0.189 0.000 3.259 401 W HA 0.279 4.563 4.660 -0.626 0.000 0.331 401 W C -0.969 175.523 176.519 -0.046 0.000 1.144 401 W CA -0.625 56.661 57.345 -0.098 0.000 1.227 401 W CB 1.567 30.963 29.460 -0.107 0.000 1.371 401 W HN 0.256 nan 8.180 nan 0.000 0.491 402 T N 1.937 116.198 114.554 -0.488 0.000 2.888 402 T HA 0.337 4.311 4.350 -0.626 0.000 0.284 402 T C 0.954 175.429 174.700 -0.375 0.000 1.017 402 T CA -0.678 61.249 62.100 -0.288 0.000 1.022 402 T CB 2.655 71.388 68.868 -0.224 0.000 1.013 402 T HN 0.647 nan 8.240 nan 0.000 0.465 403 R N 0.828 121.288 120.500 -0.066 0.000 2.117 403 R HA -0.169 3.795 4.340 -0.626 0.000 0.243 403 R C 1.531 177.803 176.300 -0.047 0.000 1.143 403 R CA 2.365 58.488 56.100 0.039 0.000 0.968 403 R CB -0.515 29.831 30.300 0.076 0.000 0.863 403 R HN 0.889 nan 8.270 nan 0.000 0.444 404 D N -0.351 119.980 120.400 -0.115 0.000 2.351 404 D HA -0.184 4.081 4.640 -0.626 0.000 0.216 404 D C 1.263 177.450 176.300 -0.187 0.000 0.968 404 D CA 0.960 54.891 54.000 -0.116 0.000 0.899 404 D CB -0.353 40.386 40.800 -0.102 0.000 0.907 404 D HN 0.398 nan 8.370 nan 0.000 0.514 405 Q N -0.338 119.238 119.800 -0.374 0.000 2.369 405 Q HA 0.040 4.005 4.340 -0.626 0.000 0.206 405 Q C 1.121 176.980 176.000 -0.235 0.000 0.963 405 Q CA 0.438 55.924 55.803 -0.528 0.000 0.894 405 Q CB -0.243 27.726 28.738 -1.282 0.000 0.965 405 Q HN 0.472 nan 8.270 nan 0.000 0.475 406 N N -0.438 118.255 118.700 -0.011 0.000 2.336 406 N HA 0.086 4.451 4.740 -0.626 0.000 0.189 406 N C 1.303 176.845 175.510 0.053 0.000 1.113 406 N CA 0.072 53.229 53.050 0.177 0.000 0.858 406 N CB 0.290 38.949 38.487 0.286 0.000 0.970 406 N HN 0.161 nan 8.380 nan 0.000 0.471 407 A N 2.032 124.845 122.820 -0.012 0.000 1.892 407 A HA -0.093 3.852 4.320 -0.626 0.000 0.218 407 A C -0.353 177.205 177.584 -0.044 0.000 1.188 407 A CA 1.353 53.368 52.037 -0.038 0.000 0.631 407 A CB -1.341 17.629 19.000 -0.051 0.000 0.822 407 A HN 0.175 nan 8.150 nan 0.000 0.447 408 P HA -0.082 nan 4.420 nan 0.000 0.217 408 P C 1.711 178.995 177.300 -0.026 0.000 1.150 408 P CA 1.779 64.861 63.100 -0.030 0.000 0.832 408 P CB -0.079 31.613 31.700 -0.014 0.000 0.787 409 A N -0.594 122.231 122.820 0.007 0.000 1.873 409 A HA -0.146 3.799 4.320 -0.626 0.000 0.215 409 A C 2.316 179.882 177.584 -0.029 0.000 1.186 409 A CA 1.748 53.797 52.037 0.019 0.000 0.616 409 A CB -1.689 17.350 19.000 0.065 0.000 0.823 409 A HN 0.002 nan 8.150 nan 0.000 0.442 410 V N 1.019 120.889 119.914 -0.075 0.000 2.287 410 V HA -0.340 3.404 4.120 -0.626 0.000 0.248 410 V C 2.187 178.081 176.094 -0.332 0.000 1.053 410 V CA 2.359 64.516 62.300 -0.237 0.000 1.027 410 V CB -1.285 30.397 31.823 -0.235 0.000 0.646 410 V HN 0.656 nan 8.190 nan 0.000 0.447 411 N N 0.340 118.919 118.700 -0.201 0.000 2.104 411 N HA -0.193 4.172 4.740 -0.626 0.000 0.190 411 N C 1.941 177.375 175.510 -0.126 0.000 1.024 411 N CA 1.281 54.233 53.050 -0.165 0.000 0.853 411 N CB -0.316 38.110 38.487 -0.101 0.000 1.008 411 N HN 0.509 nan 8.380 nan 0.000 0.424 412 A N 1.260 124.026 122.820 -0.091 0.000 1.877 412 A HA -0.002 3.943 4.320 -0.626 0.000 0.216 412 A C 2.363 179.938 177.584 -0.015 0.000 1.186 412 A CA 1.668 53.667 52.037 -0.063 0.000 0.620 412 A CB -0.897 18.065 19.000 -0.063 0.000 0.822 412 A HN 0.348 nan 8.150 nan 0.000 0.443 413 A N -0.244 122.592 122.820 0.027 0.000 1.902 413 A HA -0.185 3.760 4.320 -0.626 0.000 0.217 413 A C 2.144 179.916 177.584 0.313 0.000 1.181 413 A CA 2.101 54.272 52.037 0.223 0.000 0.623 413 A CB -0.478 18.694 19.000 0.288 0.000 0.818 413 A HN 0.557 nan 8.150 nan 0.000 0.443 414 K N -0.370 120.002 120.400 -0.048 0.000 2.057 414 K HA -0.061 3.883 4.320 -0.626 0.000 0.207 414 K C 2.107 178.826 176.600 0.198 0.000 1.049 414 K CA 1.195 57.513 56.287 0.051 0.000 0.931 414 K CB -0.328 31.935 32.500 -0.395 0.000 0.714 414 K HN 0.363 nan 8.250 nan 0.000 0.440 415 A N 1.001 123.854 122.820 0.055 0.000 1.933 415 A HA -0.146 3.799 4.320 -0.626 0.000 0.218 415 A C 2.018 179.607 177.584 0.008 0.000 1.175 415 A CA 1.318 53.374 52.037 0.031 0.000 0.628 415 A CB -0.506 18.480 19.000 -0.024 0.000 0.814 415 A HN 0.389 nan 8.150 nan 0.000 0.444 416 L N -1.783 119.418 121.223 -0.037 0.000 2.023 416 L HA 0.052 4.017 4.340 -0.626 0.000 0.205 416 L C 2.081 178.776 176.870 -0.292 0.000 1.073 416 L CA 1.847 56.553 54.840 -0.223 0.000 0.745 416 L CB -0.558 41.265 42.059 -0.393 0.000 0.900 416 L HN 0.327 nan 8.230 nan 0.000 0.435 417 F N -0.133 119.874 119.950 0.096 0.000 2.502 417 F HA -0.113 4.041 4.527 -0.621 0.000 0.298 417 F C 2.101 177.939 175.800 0.063 0.000 1.111 417 F CA 0.847 58.899 58.000 0.087 0.000 1.445 417 F CB -0.604 38.547 39.000 0.251 0.000 1.081 417 F HN 0.176 nan 8.300 nan 0.000 0.558 418 D N -0.053 120.507 120.400 0.266 0.000 2.144 418 D HA -0.084 4.180 4.640 -0.626 0.000 0.200 418 D C 2.307 178.633 176.300 0.043 0.000 0.978 418 D CA 0.894 54.993 54.000 0.164 0.000 0.833 418 D CB -0.182 40.734 40.800 0.192 0.000 0.961 418 D HN 0.210 nan 8.370 nan 0.000 0.470 419 R N 0.088 120.590 120.500 0.004 0.000 2.081 419 R HA -0.000 3.964 4.340 -0.626 0.000 0.235 419 R C 2.440 178.712 176.300 -0.045 0.000 1.131 419 R CA 0.721 56.801 56.100 -0.034 0.000 0.960 419 R CB -0.161 30.096 30.300 -0.071 0.000 0.856 419 R HN 0.248 nan 8.270 nan 0.000 0.436 420 I N 0.949 121.478 120.570 -0.069 0.000 2.315 420 I HA -0.233 3.561 4.170 -0.626 0.000 0.248 420 I C 1.676 177.770 176.117 -0.039 0.000 1.117 420 I CA 0.909 62.175 61.300 -0.056 0.000 1.404 420 I CB -0.325 37.634 38.000 -0.068 0.000 1.071 420 I HN 0.154 nan 8.210 nan 0.000 0.419 421 N N 1.178 119.838 118.700 -0.067 0.000 2.120 421 N HA -0.201 4.164 4.740 -0.626 0.000 0.188 421 N C 1.782 177.269 175.510 -0.038 0.000 1.024 421 N CA 1.209 54.195 53.050 -0.107 0.000 0.852 421 N CB -0.262 38.089 38.487 -0.227 0.000 1.003 421 N HN 0.329 nan 8.380 nan 0.000 0.424 422 K N 0.723 121.114 120.400 -0.014 0.000 2.057 422 K HA -0.002 3.943 4.320 -0.626 0.000 0.207 422 K C 1.730 178.344 176.600 0.023 0.000 1.049 422 K CA 1.287 57.581 56.287 0.012 0.000 0.931 422 K CB -0.077 32.431 32.500 0.014 0.000 0.714 422 K HN 0.098 nan 8.250 nan 0.000 0.440 423 A N 0.860 123.690 122.820 0.016 0.000 2.119 423 A HA -0.053 3.892 4.320 -0.626 0.000 0.217 423 A C 1.353 178.975 177.584 0.063 0.000 1.153 423 A CA 1.153 53.208 52.037 0.029 0.000 0.692 423 A CB -0.140 18.868 19.000 0.013 0.000 0.799 423 A HN 0.391 nan 8.150 nan 0.000 0.458 424 N N -1.491 117.251 118.700 0.070 0.000 2.197 424 N HA 0.138 4.503 4.740 -0.626 0.000 0.201 424 N C 0.962 176.604 175.510 0.219 0.000 1.148 424 N CA 0.815 53.952 53.050 0.145 0.000 0.883 424 N CB 0.745 39.282 38.487 0.083 0.000 1.012 424 N HN 0.518 nan 8.380 nan 0.000 0.507 425 G N 1.999 110.876 108.800 0.129 0.000 2.198 425 G HA2 -0.284 3.300 3.960 -0.626 0.000 0.260 425 G HA3 -0.284 3.300 3.960 -0.626 0.000 0.260 425 G C 0.303 175.277 174.900 0.123 0.000 1.025 425 G CA 1.098 46.288 45.100 0.150 0.000 0.769 425 G HN 0.468 nan 8.290 nan 0.000 0.507 426 T N -1.713 112.825 114.554 -0.026 0.000 2.948 426 T HA 0.816 4.790 4.350 -0.626 0.000 0.285 426 T C 0.500 175.127 174.700 -0.123 0.000 1.019 426 T CA -0.408 61.602 62.100 -0.149 0.000 1.013 426 T CB 2.619 71.312 68.868 -0.290 0.000 1.117 426 T HN 1.281 nan 8.240 nan 0.000 0.533 427 I N -2.187 118.312 120.570 -0.118 0.000 3.108 427 I HA 0.687 4.481 4.170 -0.626 0.000 0.312 427 I C -1.057 174.980 176.117 -0.132 0.000 1.095 427 I CA -1.866 59.382 61.300 -0.086 0.000 1.000 427 I CB 1.383 39.433 38.000 0.082 0.000 1.229 427 I HN 0.537 nan 8.210 nan 0.000 0.454 428 Y N 1.315 121.594 120.300 -0.034 0.000 2.299 428 Y HA 0.453 4.625 4.550 -0.630 0.000 0.335 428 Y C 0.606 176.343 175.900 -0.272 0.000 1.287 428 Y CA -0.296 57.645 58.100 -0.266 0.000 1.424 428 Y CB 0.441 38.532 38.460 -0.614 0.000 1.326 428 Y HN 0.312 nan 8.280 nan 0.000 0.567 429 R N 0.688 121.116 120.500 -0.121 0.000 2.404 429 R HA 0.177 4.141 4.340 -0.626 0.000 0.291 429 R C -0.843 175.284 176.300 -0.288 0.000 1.025 429 R CA -0.407 55.643 56.100 -0.084 0.000 0.991 429 R CB 0.502 30.758 30.300 -0.074 0.000 1.053 429 R HN 0.806 nan 8.270 nan 0.000 0.479 430 Y N -0.316 119.969 120.300 -0.025 0.000 2.527 430 Y HA 0.065 4.239 4.550 -0.626 0.000 0.247 430 Y C 0.746 176.611 175.900 -0.058 0.000 1.138 430 Y CA -0.236 57.850 58.100 -0.024 0.000 1.228 430 Y CB 0.710 39.180 38.460 0.017 0.000 1.252 430 Y HN 0.528 nan 8.280 nan 0.000 0.531 431 D N -0.985 119.416 120.400 0.002 0.000 2.479 431 D HA 0.083 4.348 4.640 -0.626 0.000 0.218 431 D C 1.102 177.281 176.300 -0.202 0.000 1.177 431 D CA 0.182 54.144 54.000 -0.064 0.000 0.830 431 D CB -0.486 40.289 40.800 -0.042 0.000 1.014 431 D HN 0.306 nan 8.370 nan 0.000 0.503 432 L N -0.971 120.004 121.223 -0.413 0.000 2.341 432 L HA 0.184 4.148 4.340 -0.626 0.000 0.214 432 L C 0.933 177.414 176.870 -0.650 0.000 1.115 432 L CA 0.715 55.182 54.840 -0.621 0.000 0.820 432 L CB -0.304 41.206 42.059 -0.916 0.000 0.944 432 L HN -0.052 nan 8.230 nan 0.000 0.452 433 F N -0.184 119.740 119.950 -0.043 0.000 2.668 433 F HA 0.520 4.679 4.527 -0.614 0.000 0.301 433 F C 1.031 176.763 175.800 -0.114 0.000 1.106 433 F CA -0.200 57.758 58.000 -0.070 0.000 1.289 433 F CB 0.753 39.721 39.000 -0.052 0.000 1.006 433 F HN 0.023 nan 8.300 nan 0.000 0.535 434 G N 0.371 109.140 108.800 -0.052 0.000 2.361 434 G HA2 0.148 3.733 3.960 -0.626 0.000 0.331 434 G HA3 0.148 3.733 3.960 -0.626 0.000 0.331 434 G C -0.523 174.348 174.900 -0.048 0.000 1.324 434 G CA -0.616 44.420 45.100 -0.107 0.000 0.984 434 G HN 0.010 nan 8.290 nan 0.000 0.586 435 T N -3.443 111.084 114.554 -0.046 0.000 3.629 435 T HA 0.630 4.604 4.350 -0.626 0.000 0.317 435 T C 0.730 175.436 174.700 0.011 0.000 1.690 435 T CA 1.239 63.331 62.100 -0.012 0.000 1.276 435 T CB 0.742 69.602 68.868 -0.014 0.000 1.205 435 T HN 1.893 nan 8.240 nan 0.000 0.824 436 Q N 0.853 120.675 119.800 0.036 0.000 1.985 436 Q HA 0.554 4.519 4.340 -0.626 0.000 0.199 436 Q C 0.683 176.732 176.000 0.083 0.000 0.776 436 Q CA -0.522 55.312 55.803 0.051 0.000 0.988 436 Q CB -0.228 28.543 28.738 0.055 0.000 1.224 436 Q HN 0.614 nan 8.270 nan 0.000 0.432 437 L N 0.800 122.084 121.223 0.102 0.000 3.664 437 L HA -0.171 3.793 4.340 -0.626 0.000 0.560 437 L C -0.379 176.650 176.870 0.265 0.000 1.285 437 L CA 1.187 56.130 54.840 0.171 0.000 0.864 437 L CB -1.593 40.509 42.059 0.071 0.000 1.512 437 L HN 0.503 nan 8.230 nan 0.000 0.853 438 K N 0.008 120.560 120.400 0.252 0.000 2.425 438 K HA 0.700 4.645 4.320 -0.626 0.000 0.259 438 K C 0.966 177.684 176.600 0.196 0.000 0.978 438 K CA 0.229 56.668 56.287 0.253 0.000 0.883 438 K CB 1.555 34.195 32.500 0.234 0.000 1.110 438 K HN 0.259 nan 8.250 nan 0.000 0.436 439 A N 3.845 126.672 122.820 0.013 0.000 2.123 439 A HA 0.158 4.102 4.320 -0.626 0.000 0.214 439 A C -0.068 177.169 177.584 -0.577 0.000 1.152 439 A CA 0.673 52.410 52.037 -0.500 0.000 0.728 439 A CB 0.047 18.399 19.000 -1.080 0.000 0.814 439 A HN 0.540 nan 8.150 nan 0.000 0.464 440 F N -0.338 119.598 119.950 -0.023 0.000 2.499 440 F HA 0.597 4.754 4.527 -0.617 0.000 0.333 440 F C 0.379 176.081 175.800 -0.163 0.000 1.138 440 F CA -1.060 56.891 58.000 -0.081 0.000 0.945 440 F CB 1.598 40.543 39.000 -0.092 0.000 1.181 440 F HN 0.066 nan 8.300 nan 0.000 0.435 441 A N 2.163 124.764 122.820 -0.364 0.000 2.396 441 A HA 0.406 4.351 4.320 -0.626 0.000 0.279 441 A C 0.227 177.842 177.584 0.052 0.000 1.165 441 A CA -0.347 51.417 52.037 -0.455 0.000 0.824 441 A CB -0.135 18.174 19.000 -1.151 0.000 1.100 441 A HN 0.735 nan 8.150 nan 0.000 0.516 442 D N 1.237 121.704 120.400 0.111 0.000 2.535 442 D HA 0.091 4.356 4.640 -0.626 0.000 0.229 442 D C -0.410 175.994 176.300 0.174 0.000 1.238 442 D CA 0.145 54.232 54.000 0.146 0.000 0.824 442 D CB 0.310 41.186 40.800 0.127 0.000 1.045 442 D HN 0.443 nan 8.370 nan 0.000 0.500 443 D N 0.049 120.574 120.400 0.209 0.000 2.837 443 D HA 0.174 4.438 4.640 -0.626 0.000 0.340 443 D C -0.255 176.199 176.300 0.257 0.000 1.451 443 D CA -0.753 53.377 54.000 0.216 0.000 0.798 443 D CB -0.850 40.074 40.800 0.206 0.000 1.169 443 D HN 0.246 nan 8.370 nan 0.000 0.449 444 F N -0.788 119.200 119.950 0.064 0.000 2.620 444 F HA 0.811 4.967 4.527 -0.618 0.000 0.320 444 F C -1.434 174.400 175.800 0.057 0.000 1.069 444 F CA -1.753 56.320 58.000 0.122 0.000 0.953 444 F CB 1.869 40.902 39.000 0.054 0.000 1.322 444 F HN 0.040 nan 8.300 nan 0.000 0.479 445 C N 3.165 122.430 119.300 -0.059 0.000 2.871 445 C HA 0.517 4.601 4.460 -0.626 0.000 0.378 445 C C -0.602 174.577 174.990 0.316 0.000 1.052 445 C CA -0.394 58.511 59.018 -0.189 0.000 1.250 445 C CB 0.035 27.795 27.740 0.034 0.000 1.689 445 C HN 0.900 nan 8.230 nan 0.000 0.506 446 Y N 1.761 122.050 120.300 -0.017 0.000 2.507 446 Y HA 0.292 4.464 4.550 -0.630 0.000 0.263 446 Y C 1.319 177.343 175.900 0.207 0.000 1.093 446 Y CA 0.646 58.810 58.100 0.106 0.000 1.285 446 Y CB -0.218 38.237 38.460 -0.008 0.000 1.115 446 Y HN 0.750 nan 8.280 nan 0.000 0.533 447 H N 1.606 120.798 119.070 0.203 0.000 2.360 447 H HA 0.235 4.416 4.556 -0.626 0.000 0.233 447 H C -2.457 172.877 175.328 0.010 0.000 1.473 447 H CA -2.379 53.723 56.048 0.090 0.000 1.352 447 H CB 0.346 30.116 29.762 0.014 0.000 1.493 447 H HN -0.053 nan 8.280 nan 0.000 0.533 448 P HA 0.067 nan 4.420 nan 0.000 0.276 448 P C -0.503 176.838 177.300 0.069 0.000 1.243 448 P CA 0.054 63.294 63.100 0.233 0.000 0.768 448 P CB 1.477 33.519 31.700 0.571 0.000 0.856 449 L N 3.266 124.326 121.223 -0.272 0.000 2.409 449 L HA 0.786 4.751 4.340 -0.626 0.000 0.272 449 L C 0.580 177.335 176.870 -0.193 0.000 0.980 449 L CA -0.412 54.325 54.840 -0.173 0.000 0.826 449 L CB 2.046 43.997 42.059 -0.179 0.000 1.268 449 L HN 0.716 nan 8.230 nan 0.000 0.407 450 G N 1.103 109.935 108.800 0.052 0.000 2.462 450 G HA2 0.376 3.960 3.960 -0.626 0.000 0.685 450 G HA3 0.376 3.960 3.960 -0.626 0.000 0.685 450 G C 0.236 175.348 174.900 0.354 0.000 1.295 450 G CA -0.254 44.938 45.100 0.154 0.000 0.941 450 G HN 1.258 nan 8.290 nan 0.000 0.554 451 G N -2.738 106.254 108.800 0.320 0.000 2.352 451 G HA2 0.071 3.655 3.960 -0.626 0.000 0.204 451 G HA3 0.071 3.655 3.960 -0.626 0.000 0.204 451 G C 0.594 175.578 174.900 0.139 0.000 1.004 451 G CA 1.010 46.293 45.100 0.305 0.000 0.648 451 G HN 2.140 nan 8.290 nan 0.000 0.491 452 C N 2.068 121.425 119.300 0.095 0.000 3.327 452 C HA 0.557 4.641 4.460 -0.626 0.000 0.192 452 C C 0.751 175.766 174.990 0.042 0.000 1.603 452 C CA -0.786 58.263 59.018 0.051 0.000 1.222 452 C CB -0.239 27.513 27.740 0.020 0.000 1.981 452 C HN 0.524 nan 8.230 nan 0.000 0.563 453 V N 2.236 122.179 119.914 0.048 0.000 2.584 453 V HA -0.089 3.656 4.120 -0.626 0.000 0.303 453 V C 0.683 176.777 176.094 0.000 0.000 1.035 453 V CA 0.304 62.615 62.300 0.020 0.000 1.172 453 V CB 0.200 32.034 31.823 0.019 0.000 0.896 453 V HN 0.600 nan 8.190 nan 0.000 0.486 454 L N 5.869 127.079 121.223 -0.022 0.000 2.584 454 L HA 0.444 4.409 4.340 -0.626 0.000 0.272 454 L C 1.234 178.077 176.870 -0.044 0.000 1.195 454 L CA 1.868 56.685 54.840 -0.038 0.000 0.920 454 L CB -0.074 41.941 42.059 -0.073 0.000 1.173 454 L HN 1.011 nan 8.230 nan 0.000 0.489 455 G N 2.820 111.605 108.800 -0.026 0.000 2.195 455 G HA2 -0.258 3.327 3.960 -0.626 0.000 0.246 455 G HA3 -0.258 3.327 3.960 -0.626 0.000 0.246 455 G C 1.100 175.996 174.900 -0.006 0.000 0.984 455 G CA 0.415 45.501 45.100 -0.022 0.000 0.633 455 G HN 0.571 nan 8.290 nan 0.000 0.525 456 K N -0.323 120.078 120.400 0.002 0.000 2.313 456 K HA 0.559 4.503 4.320 -0.626 0.000 0.215 456 K C 2.583 179.196 176.600 0.022 0.000 1.109 456 K CA 0.958 57.252 56.287 0.012 0.000 0.895 456 K CB -0.734 31.776 32.500 0.016 0.000 1.234 456 K HN 0.610 nan 8.250 nan 0.000 0.463 457 A N 1.669 124.505 122.820 0.027 0.000 2.132 457 A HA 0.038 3.982 4.320 -0.626 0.000 0.213 457 A C 1.151 178.753 177.584 0.031 0.000 1.154 457 A CA 1.230 53.286 52.037 0.033 0.000 0.753 457 A CB -0.211 18.811 19.000 0.036 0.000 0.826 457 A HN 0.499 nan 8.150 nan 0.000 0.469 458 T N -2.762 111.809 114.554 0.028 0.000 2.804 458 T HA 0.506 4.480 4.350 -0.626 0.000 0.290 458 T C -0.550 174.173 174.700 0.039 0.000 1.099 458 T CA -0.200 61.922 62.100 0.037 0.000 1.011 458 T CB 1.404 70.297 68.868 0.042 0.000 1.291 458 T HN 0.192 nan 8.240 nan 0.000 0.523 459 D N -0.156 120.283 120.400 0.065 0.000 2.425 459 D HA 0.178 4.443 4.640 -0.626 0.000 0.274 459 D C 0.337 176.664 176.300 0.044 0.000 1.242 459 D CA -0.428 53.617 54.000 0.075 0.000 1.060 459 D CB -0.160 40.715 40.800 0.126 0.000 1.112 459 D HN 0.485 nan 8.370 nan 0.000 0.561 460 D N -1.715 118.699 120.400 0.023 0.000 2.378 460 D HA -0.074 4.190 4.640 -0.626 0.000 0.227 460 D C 0.207 176.260 176.300 -0.412 0.000 1.012 460 D CA 0.705 54.597 54.000 -0.180 0.000 0.905 460 D CB -0.136 40.514 40.800 -0.249 0.000 0.895 460 D HN 0.392 nan 8.370 nan 0.000 0.532 461 Y N -1.067 119.239 120.300 0.010 0.000 2.641 461 Y HA 0.335 4.510 4.550 -0.626 0.000 0.248 461 Y C 1.704 177.615 175.900 0.019 0.000 1.170 461 Y CA -0.140 57.957 58.100 -0.005 0.000 1.201 461 Y CB 1.148 39.602 38.460 -0.010 0.000 1.232 461 Y HN -0.017 nan 8.280 nan 0.000 0.537 462 G N 0.888 109.765 108.800 0.128 0.000 2.175 462 G HA2 -0.264 3.321 3.960 -0.626 0.000 0.244 462 G HA3 -0.264 3.321 3.960 -0.626 0.000 0.244 462 G C 0.210 175.215 174.900 0.174 0.000 0.982 462 G CA -0.605 44.568 45.100 0.122 0.000 0.641 462 G HN 0.266 nan 8.290 nan 0.000 0.527 463 R N 0.620 121.249 120.500 0.215 0.000 2.351 463 R HA 0.375 4.339 4.340 -0.626 0.000 0.318 463 R C 0.628 176.963 176.300 0.058 0.000 1.055 463 R CA -0.342 55.864 56.100 0.177 0.000 0.968 463 R CB 1.126 31.543 30.300 0.194 0.000 0.974 463 R HN 0.119 nan 8.270 nan 0.000 0.439 464 V N 3.572 123.477 119.914 -0.016 0.000 2.509 464 V HA -0.041 3.703 4.120 -0.626 0.000 0.297 464 V C 0.996 177.123 176.094 0.055 0.000 1.014 464 V CA -0.026 62.278 62.300 0.007 0.000 1.127 464 V CB 0.495 32.294 31.823 -0.040 0.000 0.925 464 V HN 0.853 nan 8.190 nan 0.000 0.480 465 A N 4.717 127.570 122.820 0.055 0.000 2.546 465 A HA 0.493 4.438 4.320 -0.626 0.000 0.243 465 A C 1.553 179.158 177.584 0.035 0.000 1.063 465 A CA 0.575 52.636 52.037 0.039 0.000 0.757 465 A CB -0.368 18.649 19.000 0.028 0.000 0.991 465 A HN 2.150 nan 8.150 nan 0.000 0.503 466 G N 0.650 109.416 108.800 -0.056 0.000 2.194 466 G HA2 -0.220 3.365 3.960 -0.626 0.000 0.236 466 G HA3 -0.220 3.365 3.960 -0.626 0.000 0.236 466 G C -0.081 174.490 174.900 -0.548 0.000 0.987 466 G CA 0.585 45.532 45.100 -0.256 0.000 0.635 466 G HN 0.973 nan 8.290 nan 0.000 0.520 467 Y N -0.169 120.122 120.300 -0.016 0.000 2.581 467 Y HA 0.720 4.894 4.550 -0.626 0.000 0.345 467 Y C 0.056 175.939 175.900 -0.028 0.000 1.036 467 Y CA -1.188 56.914 58.100 0.002 0.000 1.042 467 Y CB 1.616 40.088 38.460 0.021 0.000 1.289 467 Y HN -0.151 nan 8.280 nan 0.000 0.471 468 K N 1.247 121.758 120.400 0.185 0.000 2.182 468 K HA 0.329 4.273 4.320 -0.626 0.000 0.262 468 K C -0.279 176.365 176.600 0.073 0.000 0.957 468 K CA -0.624 55.712 56.287 0.081 0.000 0.842 468 K CB 1.188 33.733 32.500 0.074 0.000 1.099 468 K HN 0.847 nan 8.250 nan 0.000 0.438 469 N N 0.113 118.743 118.700 -0.118 0.000 2.741 469 N HA -0.259 4.106 4.740 -0.626 0.000 0.251 469 N C -0.857 174.223 175.510 -0.717 0.000 1.112 469 N CA 0.211 53.127 53.050 -0.223 0.000 0.750 469 N CB -0.797 37.817 38.487 0.212 0.000 1.119 469 N HN 0.237 nan 8.380 nan 0.000 0.561 470 L N 1.237 121.865 121.223 -0.991 0.000 2.319 470 L HA 0.539 4.503 4.340 -0.626 0.000 0.281 470 L C -1.152 175.131 176.870 -0.977 0.000 1.005 470 L CA -0.828 53.434 54.840 -0.962 0.000 0.828 470 L CB 0.663 42.290 42.059 -0.721 0.000 1.227 470 L HN 0.049 nan 8.230 nan 0.000 0.415 471 Y N 3.356 123.417 120.300 -0.399 0.000 2.545 471 Y HA 0.763 4.937 4.550 -0.626 0.000 0.348 471 Y C -0.431 175.366 175.900 -0.170 0.000 1.002 471 Y CA -1.258 56.665 58.100 -0.295 0.000 1.039 471 Y CB 2.083 40.261 38.460 -0.469 0.000 1.271 471 Y HN 0.220 nan 8.280 nan 0.000 0.467 472 V N 0.963 120.930 119.914 0.089 0.000 2.555 472 V HA 0.385 4.130 4.120 -0.626 0.000 0.302 472 V C 0.247 176.400 176.094 0.099 0.000 1.038 472 V CA -0.291 62.046 62.300 0.061 0.000 0.887 472 V CB 1.724 33.559 31.823 0.020 0.000 0.991 472 V HN 1.029 nan 8.190 nan 0.000 0.434 473 T N -1.599 113.013 114.554 0.096 0.000 3.058 473 T HA 0.196 4.170 4.350 -0.626 0.000 0.278 473 T C 0.194 174.919 174.700 0.041 0.000 0.974 473 T CA 0.173 62.322 62.100 0.081 0.000 0.893 473 T CB 0.107 69.041 68.868 0.109 0.000 1.138 473 T HN 0.691 nan 8.240 nan 0.000 0.529 474 D N 0.984 121.409 120.400 0.041 0.000 2.570 474 D HA 0.484 4.748 4.640 -0.626 0.000 0.266 474 D C 1.878 178.202 176.300 0.041 0.000 1.182 474 D CA -0.078 53.949 54.000 0.044 0.000 1.088 474 D CB -0.330 40.500 40.800 0.050 0.000 1.186 474 D HN -0.011 nan 8.370 nan 0.000 0.618 475 G N -1.127 107.708 108.800 0.057 0.000 2.498 475 G HA2 -0.208 3.376 3.960 -0.626 0.000 0.219 475 G HA3 -0.208 3.376 3.960 -0.626 0.000 0.219 475 G C 1.348 176.283 174.900 0.059 0.000 1.119 475 G CA 1.246 46.379 45.100 0.054 0.000 0.766 475 G HN 0.519 nan 8.290 nan 0.000 0.552 476 S N 0.186 115.924 115.700 0.063 0.000 2.474 476 S HA 0.058 4.152 4.470 -0.626 0.000 0.235 476 S C 2.077 176.709 174.600 0.053 0.000 0.997 476 S CA 0.410 58.654 58.200 0.074 0.000 0.949 476 S CB -0.128 63.095 63.200 0.039 0.000 0.766 476 S HN 0.105 nan 8.310 nan 0.000 0.517 477 L N 1.120 122.360 121.223 0.028 0.000 2.240 477 L HA 0.261 4.226 4.340 -0.626 0.000 0.211 477 L C 0.921 177.782 176.870 -0.016 0.000 1.106 477 L CA 0.656 55.499 54.840 0.006 0.000 0.793 477 L CB -1.170 40.887 42.059 -0.003 0.000 0.927 477 L HN 0.355 nan 8.230 nan 0.000 0.446 478 I N 2.961 123.520 120.570 -0.018 0.000 2.556 478 I HA 0.058 3.853 4.170 -0.626 0.000 0.284 478 I C -1.602 174.482 176.117 -0.054 0.000 1.114 478 I CA -1.938 59.332 61.300 -0.050 0.000 1.418 478 I CB 0.337 38.309 38.000 -0.047 0.000 1.394 478 I HN -0.037 nan 8.210 nan 0.000 0.552 479 P HA 0.079 nan 4.420 nan 0.000 0.231 479 P C 0.958 178.217 177.300 -0.069 0.000 1.756 479 P CA 0.259 63.321 63.100 -0.064 0.000 0.990 479 P CB -0.021 31.628 31.700 -0.086 0.000 1.973 480 G N 0.508 109.245 108.800 -0.105 0.000 2.238 480 G HA2 -0.287 3.297 3.960 -0.626 0.000 0.270 480 G HA3 -0.287 3.297 3.960 -0.626 0.000 0.270 480 G C 0.177 174.997 174.900 -0.134 0.000 0.977 480 G CA 0.602 45.592 45.100 -0.184 0.000 0.639 480 G HN 0.832 nan 8.290 nan 0.000 0.544 481 S N -2.086 113.585 115.700 -0.048 0.000 2.548 481 S HA 0.555 4.650 4.470 -0.626 0.000 0.278 481 S C 0.280 174.935 174.600 0.091 0.000 1.150 481 S CA 0.570 58.803 58.200 0.055 0.000 0.907 481 S CB 1.593 64.916 63.200 0.206 0.000 1.108 481 S HN 1.601 nan 8.310 nan 0.000 0.459 482 V N 1.107 121.069 119.914 0.079 0.000 3.382 482 V HA 0.630 4.375 4.120 -0.626 0.000 0.296 482 V C 1.465 177.504 176.094 -0.092 0.000 1.529 482 V CA 0.513 62.852 62.300 0.064 0.000 1.048 482 V CB -0.149 31.650 31.823 -0.040 0.000 0.878 482 V HN 2.062 nan 8.190 nan 0.000 0.442 483 G N 1.091 109.656 108.800 -0.391 0.000 2.189 483 G HA2 -0.163 3.421 3.960 -0.626 0.000 0.267 483 G HA3 -0.163 3.421 3.960 -0.626 0.000 0.267 483 G C 0.291 174.563 174.900 -1.046 0.000 0.975 483 G CA 1.137 45.390 45.100 -1.411 0.000 0.644 483 G HN 1.957 nan 8.290 nan 0.000 0.537 484 V N -4.934 114.593 119.914 -0.644 0.000 3.226 484 V HA 0.636 4.380 4.120 -0.626 0.000 0.304 484 V C 0.028 175.842 176.094 -0.467 0.000 1.336 484 V CA -1.539 60.344 62.300 -0.696 0.000 1.066 484 V CB 1.190 32.558 31.823 -0.757 0.000 1.087 484 V HN 0.132 nan 8.190 nan 0.000 0.451 485 N N 3.065 121.484 118.700 -0.469 0.000 2.411 485 N HA 0.154 4.518 4.740 -0.626 0.000 0.265 485 N C -1.630 173.542 175.510 -0.563 0.000 1.266 485 N CA -0.086 52.644 53.050 -0.534 0.000 0.889 485 N CB 1.507 39.743 38.487 -0.417 0.000 1.069 485 N HN 0.679 nan 8.380 nan 0.000 0.476 486 P HA -0.152 nan 4.420 nan 0.000 0.223 486 P C 1.428 178.555 177.300 -0.287 0.000 1.151 486 P CA 1.012 63.901 63.100 -0.353 0.000 0.787 486 P CB -0.056 31.485 31.700 -0.265 0.000 0.788 487 F N 0.278 119.982 119.950 -0.411 0.000 2.202 487 F HA -0.108 4.043 4.527 -0.627 0.000 0.301 487 F C 1.762 177.291 175.800 -0.451 0.000 1.082 487 F CA 0.685 58.294 58.000 -0.652 0.000 1.313 487 F CB -2.005 36.221 39.000 -1.290 0.000 1.024 487 F HN -0.294 nan 8.300 nan 0.000 0.495 488 V N 0.762 120.529 119.914 -0.245 0.000 2.427 488 V HA -0.251 3.493 4.120 -0.626 0.000 0.248 488 V C 2.430 178.605 176.094 0.135 0.000 1.051 488 V CA 2.367 64.672 62.300 0.007 0.000 1.048 488 V CB -1.134 30.627 31.823 -0.103 0.000 0.666 488 V HN 0.527 nan 8.190 nan 0.000 0.456 489 T N 0.278 114.891 114.554 0.098 0.000 2.777 489 T HA -0.073 3.902 4.350 -0.626 0.000 0.266 489 T C 1.832 176.561 174.700 0.049 0.000 1.040 489 T CA 1.585 63.810 62.100 0.209 0.000 1.141 489 T CB -0.233 68.738 68.868 0.172 0.000 0.868 489 T HN 0.340 nan 8.240 nan 0.000 0.444 490 I N 1.248 121.815 120.570 -0.005 0.000 2.226 490 I HA -0.187 3.607 4.170 -0.626 0.000 0.245 490 I C 2.670 178.772 176.117 -0.024 0.000 1.100 490 I CA 1.134 62.424 61.300 -0.016 0.000 1.374 490 I CB -0.689 37.302 38.000 -0.015 0.000 1.057 490 I HN 0.259 nan 8.210 nan 0.000 0.413 491 T N 0.726 115.275 114.554 -0.008 0.000 2.737 491 T HA -0.111 3.863 4.350 -0.626 0.000 0.265 491 T C 2.104 176.763 174.700 -0.068 0.000 1.038 491 T CA 1.418 63.507 62.100 -0.017 0.000 1.144 491 T CB -0.327 68.595 68.868 0.090 0.000 0.866 491 T HN 0.464 nan 8.240 nan 0.000 0.434 492 A N 1.319 124.079 122.820 -0.101 0.000 1.877 492 A HA -0.016 3.928 4.320 -0.626 0.000 0.216 492 A C 2.251 179.636 177.584 -0.331 0.000 1.186 492 A CA 1.268 53.137 52.037 -0.281 0.000 0.620 492 A CB -0.878 17.638 19.000 -0.807 0.000 0.822 492 A HN 0.379 nan 8.150 nan 0.000 0.443 493 L N -0.180 120.880 121.223 -0.270 0.000 2.046 493 L HA -0.091 3.874 4.340 -0.626 0.000 0.208 493 L C 2.705 179.450 176.870 -0.208 0.000 1.077 493 L CA 2.192 56.901 54.840 -0.218 0.000 0.747 493 L CB -0.805 41.198 42.059 -0.094 0.000 0.896 493 L HN 0.357 nan 8.230 nan 0.000 0.432 494 A N -1.121 121.608 122.820 -0.150 0.000 1.933 494 A HA -0.171 3.773 4.320 -0.626 0.000 0.218 494 A C 2.147 179.633 177.584 -0.164 0.000 1.175 494 A CA 1.568 53.528 52.037 -0.127 0.000 0.628 494 A CB -0.494 18.439 19.000 -0.111 0.000 0.814 494 A HN 0.531 nan 8.150 nan 0.000 0.444 495 E N -0.357 119.732 120.200 -0.184 0.000 2.051 495 E HA -0.206 3.769 4.350 -0.626 0.000 0.192 495 E C 2.223 178.584 176.600 -0.398 0.000 0.991 495 E CA 1.279 57.591 56.400 -0.147 0.000 0.799 495 E CB -0.375 29.344 29.700 0.032 0.000 0.748 495 E HN 0.717 nan 8.360 nan 0.000 0.449 496 R N 1.098 121.087 120.500 -0.851 0.000 2.083 496 R HA -0.132 3.833 4.340 -0.626 0.000 0.237 496 R C 1.880 177.959 176.300 -0.368 0.000 1.137 496 R CA 1.908 57.280 56.100 -1.214 0.000 0.951 496 R CB -0.190 29.473 30.300 -1.062 0.000 0.851 496 R HN 0.182 nan 8.270 nan 0.000 0.434 497 N N -0.326 118.262 118.700 -0.186 0.000 2.058 497 N HA -0.166 4.199 4.740 -0.626 0.000 0.191 497 N C 1.805 177.293 175.510 -0.036 0.000 1.037 497 N CA 1.231 54.291 53.050 0.018 0.000 0.848 497 N CB -0.129 38.364 38.487 0.010 0.000 1.021 497 N HN 0.035 nan 8.380 nan 0.000 0.422 498 V N 1.710 121.573 119.914 -0.084 0.000 2.490 498 V HA -0.222 3.522 4.120 -0.626 0.000 0.250 498 V C 2.185 178.215 176.094 -0.106 0.000 1.061 498 V CA 1.741 63.981 62.300 -0.099 0.000 1.064 498 V CB -0.318 31.424 31.823 -0.135 0.000 0.670 498 V HN 0.311 nan 8.190 nan 0.000 0.461 499 E N -0.118 120.031 120.200 -0.085 0.000 2.077 499 E HA -0.298 3.676 4.350 -0.626 0.000 0.193 499 E C 2.337 178.895 176.600 -0.069 0.000 0.989 499 E CA 1.492 57.866 56.400 -0.043 0.000 0.800 499 E CB -0.183 29.544 29.700 0.046 0.000 0.746 499 E HN 0.493 nan 8.360 nan 0.000 0.452 500 R N 0.775 121.212 120.500 -0.105 0.000 2.075 500 R HA -0.029 3.936 4.340 -0.626 0.000 0.232 500 R C 2.157 178.323 176.300 -0.223 0.000 1.126 500 R CA 1.437 57.409 56.100 -0.213 0.000 0.963 500 R CB -0.588 29.421 30.300 -0.484 0.000 0.858 500 R HN 0.295 nan 8.270 nan 0.000 0.435 501 I N 0.014 120.460 120.570 -0.207 0.000 2.226 501 I HA -0.270 3.525 4.170 -0.626 0.000 0.245 501 I C 2.089 178.097 176.117 -0.181 0.000 1.100 501 I CA 1.372 62.536 61.300 -0.225 0.000 1.374 501 I CB -0.216 37.551 38.000 -0.389 0.000 1.057 501 I HN 0.167 nan 8.210 nan 0.000 0.413 502 I N 0.467 120.943 120.570 -0.157 0.000 2.315 502 I HA -0.277 3.518 4.170 -0.626 0.000 0.248 502 I C 2.481 178.540 176.117 -0.097 0.000 1.117 502 I CA 1.381 62.599 61.300 -0.137 0.000 1.404 502 I CB -0.313 37.615 38.000 -0.119 0.000 1.071 502 I HN 0.174 nan 8.210 nan 0.000 0.419 503 K N 0.280 120.628 120.400 -0.087 0.000 2.026 503 K HA -0.172 3.772 4.320 -0.626 0.000 0.208 503 K C 2.162 178.730 176.600 -0.054 0.000 1.048 503 K CA 1.200 57.450 56.287 -0.062 0.000 0.929 503 K CB -0.019 32.445 32.500 -0.061 0.000 0.713 503 K HN 0.294 nan 8.250 nan 0.000 0.439 504 Q N 0.209 119.965 119.800 -0.073 0.000 2.297 504 Q HA -0.035 3.930 4.340 -0.626 0.000 0.203 504 Q C 1.019 177.017 176.000 -0.003 0.000 0.931 504 Q CA 1.122 56.898 55.803 -0.046 0.000 0.885 504 Q CB 0.206 28.898 28.738 -0.075 0.000 0.991 504 Q HN 0.315 nan 8.270 nan 0.000 0.498 505 D N -0.012 120.388 120.400 -0.000 0.000 2.379 505 D HA 0.069 4.334 4.640 -0.626 0.000 0.218 505 D C 0.844 177.194 176.300 0.084 0.000 1.006 505 D CA 0.204 54.252 54.000 0.081 0.000 0.893 505 D CB 0.681 41.578 40.800 0.162 0.000 1.019 505 D HN -0.071 nan 8.370 nan 0.000 0.503 506 V N 0.000 119.882 119.914 -0.053 0.000 2.409 506 V HA 0.000 3.745 4.120 -0.626 0.000 0.244 506 V CA 0.000 62.240 62.300 -0.101 0.000 1.235 506 V CB 0.000 31.637 31.823 -0.311 0.000 1.184 506 V HN 0.000 nan 8.190 nan 0.000 0.556