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 1cbo_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 FAEIAPMPAG LETWVSLYLA ITKNPQRGTF VYDAATDRAK LNWTRDQNAP DATA SEQUENCE AVNAAKALFD RINKANGTIY RYDLFGTQLK AFADDFCYNP 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 3.618 3.960 -0.570 0.000 0.244 9 G C 0.000 174.970 174.900 0.117 0.000 0.946 9 G CA 0.000 45.149 45.100 0.081 0.000 0.502 10 Y N 1.792 122.101 120.300 0.015 0.000 2.342 10 Y HA 0.681 4.889 4.550 -0.570 0.000 0.334 10 Y C -0.755 175.160 175.900 0.025 0.000 1.067 10 Y CA -0.987 57.124 58.100 0.018 0.000 1.128 10 Y CB 2.025 40.491 38.460 0.010 0.000 1.200 10 Y HN 0.039 nan 8.280 nan 0.000 0.464 11 V N 8.291 127.700 119.914 -0.841 0.000 2.808 11 V HA 0.272 4.050 4.120 -0.570 0.000 0.308 11 V C -2.133 173.446 176.094 -0.858 0.000 1.099 11 V CA -1.777 60.154 62.300 -0.615 0.000 0.920 11 V CB 1.918 33.591 31.823 -0.250 0.000 1.014 11 V HN 0.649 nan 8.190 nan 0.000 0.425 12 P HA -0.082 nan 4.420 nan 0.000 0.214 12 P C 0.155 177.495 177.300 0.067 0.000 1.163 12 P CA 1.776 64.791 63.100 -0.142 0.000 0.889 12 P CB 0.308 32.064 31.700 0.093 0.000 0.790 13 A N -1.250 121.630 122.820 0.100 0.000 2.371 13 A HA 0.578 4.556 4.320 -0.570 0.000 0.311 13 A C -1.163 176.488 177.584 0.112 0.000 1.068 13 A CA -0.458 51.718 52.037 0.232 0.000 0.744 13 A CB 1.485 20.644 19.000 0.264 0.000 1.239 13 A HN -0.124 nan 8.150 nan 0.000 0.435 14 V N 2.510 122.528 119.914 0.173 0.000 2.531 14 V HA 0.484 4.262 4.120 -0.570 0.000 0.301 14 V C -0.585 175.604 176.094 0.159 0.000 1.034 14 V CA -0.508 61.851 62.300 0.098 0.000 0.865 14 V CB 1.753 33.608 31.823 0.055 0.000 0.995 14 V HN 0.685 nan 8.190 nan 0.000 0.424 15 V N 6.171 126.131 119.914 0.077 0.000 2.417 15 V HA 0.499 4.277 4.120 -0.570 0.000 0.291 15 V C -0.123 175.995 176.094 0.040 0.000 1.024 15 V CA -0.463 61.884 62.300 0.079 0.000 0.861 15 V CB 1.811 33.622 31.823 -0.021 0.000 0.985 15 V HN 0.677 nan 8.190 nan 0.000 0.436 16 I N 4.918 125.518 120.570 0.050 0.000 2.312 16 I HA 0.685 4.513 4.170 -0.570 0.000 0.291 16 I C 0.862 176.984 176.117 0.009 0.000 1.031 16 I CA 0.309 61.621 61.300 0.021 0.000 1.293 16 I CB 0.894 38.901 38.000 0.011 0.000 1.403 16 I HN 0.907 nan 8.210 nan 0.000 0.484 17 G N 4.137 112.935 108.800 -0.003 0.000 2.663 17 G HA2 -0.126 3.491 3.960 -0.570 0.000 0.686 17 G HA3 -0.126 3.491 3.960 -0.570 0.000 0.686 17 G C -0.049 174.832 174.900 -0.031 0.000 1.288 17 G CA -0.258 44.832 45.100 -0.016 0.000 0.836 17 G HN 0.783 nan 8.290 nan 0.000 0.584 18 T N -1.618 112.908 114.554 -0.046 0.000 3.516 18 T HA 0.649 4.656 4.350 -0.570 0.000 0.300 18 T C 1.183 175.809 174.700 -0.123 0.000 0.995 18 T CA 0.981 63.037 62.100 -0.073 0.000 0.982 18 T CB 0.435 69.272 68.868 -0.053 0.000 1.199 18 T HN 1.897 nan 8.240 nan 0.000 0.481 19 G N 0.525 109.258 108.800 -0.112 0.000 2.504 19 G HA2 0.427 4.045 3.960 -0.570 0.000 0.257 19 G HA3 0.427 4.045 3.960 -0.570 0.000 0.257 19 G C 0.285 175.038 174.900 -0.244 0.000 1.451 19 G CA -0.686 44.316 45.100 -0.164 0.000 1.059 19 G HN 0.247 nan 8.290 nan 0.000 0.550 20 Y N 0.508 120.736 120.300 -0.120 0.000 2.114 20 Y HA -0.041 4.166 4.550 -0.571 0.000 0.284 20 Y C 3.068 178.845 175.900 -0.205 0.000 1.143 20 Y CA 1.719 59.711 58.100 -0.180 0.000 1.135 20 Y CB -0.662 37.727 38.460 -0.118 0.000 0.980 20 Y HN 0.445 nan 8.280 nan 0.000 0.499 21 G N -0.478 108.346 108.800 0.040 0.000 2.418 21 G HA2 -0.246 3.372 3.960 -0.570 0.000 0.217 21 G HA3 -0.246 3.372 3.960 -0.570 0.000 0.217 21 G C 1.882 176.741 174.900 -0.069 0.000 1.158 21 G CA 1.058 46.147 45.100 -0.018 0.000 0.771 21 G HN 0.483 nan 8.290 nan 0.000 0.545 22 A N 1.120 123.902 122.820 -0.064 0.000 1.898 22 A HA 0.310 4.287 4.320 -0.570 0.000 0.216 22 A C 2.817 180.314 177.584 -0.144 0.000 1.181 22 A CA 2.180 54.167 52.037 -0.083 0.000 0.620 22 A CB -0.769 18.196 19.000 -0.058 0.000 0.819 22 A HN 0.769 nan 8.150 nan 0.000 0.442 23 A N -0.546 122.162 122.820 -0.187 0.000 1.902 23 A HA 0.001 3.979 4.320 -0.570 0.000 0.217 23 A C 2.226 179.672 177.584 -0.229 0.000 1.181 23 A CA 1.788 53.706 52.037 -0.198 0.000 0.623 23 A CB -0.908 17.944 19.000 -0.248 0.000 0.818 23 A HN 0.377 nan 8.150 nan 0.000 0.443 24 V N -0.087 119.589 119.914 -0.396 0.000 2.343 24 V HA -0.220 3.558 4.120 -0.570 0.000 0.247 24 V C 2.803 178.797 176.094 -0.167 0.000 1.051 24 V CA 2.317 64.414 62.300 -0.338 0.000 1.036 24 V CB -0.825 30.789 31.823 -0.348 0.000 0.654 24 V HN 0.566 nan 8.190 nan 0.000 0.451 25 S N 0.371 115.943 115.700 -0.212 0.000 2.356 25 S HA -0.192 3.936 4.470 -0.570 0.000 0.223 25 S C 2.239 176.631 174.600 -0.348 0.000 1.032 25 S CA 1.501 59.507 58.200 -0.324 0.000 1.005 25 S CB -0.569 62.392 63.200 -0.398 0.000 0.867 25 S HN 0.653 nan 8.310 nan 0.000 0.449 26 A N 1.353 124.022 122.820 -0.251 0.000 1.902 26 A HA -0.063 3.914 4.320 -0.570 0.000 0.217 26 A C 2.138 179.646 177.584 -0.126 0.000 1.181 26 A CA 1.463 53.385 52.037 -0.192 0.000 0.623 26 A CB -0.727 18.195 19.000 -0.130 0.000 0.818 26 A HN 0.409 nan 8.150 nan 0.000 0.443 27 L N -0.390 120.796 121.223 -0.061 0.000 1.994 27 L HA -0.128 3.869 4.340 -0.570 0.000 0.208 27 L C 2.363 179.208 176.870 -0.041 0.000 1.071 27 L CA 1.919 56.754 54.840 -0.008 0.000 0.745 27 L CB -0.559 41.567 42.059 0.112 0.000 0.892 27 L HN 0.227 nan 8.230 nan 0.000 0.431 28 R N -0.233 120.232 120.500 -0.059 0.000 2.120 28 R HA -0.059 3.939 4.340 -0.570 0.000 0.234 28 R C 2.305 178.535 176.300 -0.117 0.000 1.123 28 R CA 1.448 57.504 56.100 -0.075 0.000 0.975 28 R CB -1.165 29.089 30.300 -0.077 0.000 0.866 28 R HN 0.431 nan 8.270 nan 0.000 0.446 29 L N -0.413 120.702 121.223 -0.181 0.000 2.056 29 L HA -0.048 3.950 4.340 -0.570 0.000 0.207 29 L C 2.483 179.284 176.870 -0.115 0.000 1.078 29 L CA 1.481 56.207 54.840 -0.190 0.000 0.749 29 L CB -0.832 41.058 42.059 -0.281 0.000 0.901 29 L HN 0.278 nan 8.230 nan 0.000 0.433 30 G N -0.506 108.235 108.800 -0.098 0.000 2.418 30 G HA2 -0.223 3.395 3.960 -0.570 0.000 0.217 30 G HA3 -0.223 3.395 3.960 -0.570 0.000 0.217 30 G C 1.422 176.293 174.900 -0.049 0.000 1.158 30 G CA 0.478 45.539 45.100 -0.064 0.000 0.771 30 G HN 0.402 nan 8.290 nan 0.000 0.545 31 E N 0.392 120.563 120.200 -0.049 0.000 2.208 31 E HA 0.070 4.078 4.350 -0.570 0.000 0.193 31 E C 2.626 179.204 176.600 -0.036 0.000 0.988 31 E CA 0.543 56.921 56.400 -0.037 0.000 0.828 31 E CB -0.053 29.628 29.700 -0.032 0.000 0.763 31 E HN 0.425 nan 8.360 nan 0.000 0.478 32 A N 0.325 123.116 122.820 -0.048 0.000 2.238 32 A HA 0.230 4.208 4.320 -0.570 0.000 0.208 32 A C 1.655 179.220 177.584 -0.031 0.000 1.177 32 A CA 0.775 52.785 52.037 -0.044 0.000 0.804 32 A CB -0.252 18.709 19.000 -0.065 0.000 0.823 32 A HN 0.311 nan 8.150 nan 0.000 0.482 33 G N -1.467 107.316 108.800 -0.028 0.000 2.137 33 G HA2 -0.171 3.447 3.960 -0.570 0.000 0.237 33 G HA3 -0.171 3.447 3.960 -0.570 0.000 0.237 33 G C 0.016 174.913 174.900 -0.004 0.000 1.002 33 G CA 0.094 45.186 45.100 -0.013 0.000 0.702 33 G HN 0.805 nan 8.290 nan 0.000 0.515 34 V N 0.898 120.801 119.914 -0.018 0.000 2.383 34 V HA 0.486 4.264 4.120 -0.570 0.000 0.275 34 V C 0.762 176.853 176.094 -0.004 0.000 1.036 34 V CA -0.631 61.671 62.300 0.003 0.000 0.889 34 V CB 1.670 33.481 31.823 -0.019 0.000 0.985 34 V HN 0.451 nan 8.190 nan 0.000 0.459 35 Q N 3.920 123.730 119.800 0.016 0.000 2.244 35 Q HA 0.194 4.192 4.340 -0.570 0.000 0.278 35 Q C -0.173 175.817 176.000 -0.017 0.000 1.093 35 Q CA 0.749 56.550 55.803 -0.004 0.000 0.916 35 Q CB 0.444 29.183 28.738 0.003 0.000 1.159 35 Q HN 0.866 nan 8.270 nan 0.000 0.384 36 T N 4.756 119.288 114.554 -0.036 0.000 2.841 36 T HA 0.572 4.580 4.350 -0.570 0.000 0.283 36 T C -1.346 173.321 174.700 -0.053 0.000 1.000 36 T CA -0.663 61.409 62.100 -0.046 0.000 0.977 36 T CB 0.982 69.803 68.868 -0.079 0.000 0.979 36 T HN 0.556 nan 8.240 nan 0.000 0.446 37 L N 3.611 124.803 121.223 -0.051 0.000 2.333 37 L HA 0.686 4.683 4.340 -0.570 0.000 0.280 37 L C -0.988 175.851 176.870 -0.051 0.000 1.004 37 L CA -0.565 54.240 54.840 -0.059 0.000 0.820 37 L CB 1.182 43.201 42.059 -0.067 0.000 1.247 37 L HN 0.668 nan 8.230 nan 0.000 0.416 38 M N 6.308 125.871 119.600 -0.061 0.000 2.268 38 M HA 0.457 4.595 4.480 -0.570 0.000 0.344 38 M C -1.144 175.121 176.300 -0.058 0.000 1.106 38 M CA -0.419 54.850 55.300 -0.051 0.000 1.010 38 M CB 1.601 34.169 32.600 -0.055 0.000 1.649 38 M HN 0.454 nan 8.290 nan 0.000 0.443 39 L N 2.705 123.907 121.223 -0.035 0.000 2.287 39 L HA 0.506 4.503 4.340 -0.570 0.000 0.287 39 L C -0.383 176.493 176.870 0.010 0.000 1.022 39 L CA -0.524 54.302 54.840 -0.023 0.000 0.814 39 L CB 1.390 43.453 42.059 0.008 0.000 1.217 39 L HN 0.575 nan 8.230 nan 0.000 0.420 40 E N 3.343 123.561 120.200 0.030 0.000 2.224 40 E HA 0.288 4.296 4.350 -0.570 0.000 0.265 40 E C 0.355 177.010 176.600 0.092 0.000 0.878 40 E CA -0.675 55.750 56.400 0.041 0.000 0.759 40 E CB 1.687 31.403 29.700 0.027 0.000 1.164 40 E HN 0.598 nan 8.360 nan 0.000 0.414 41 M N 2.043 121.687 119.600 0.075 0.000 2.254 41 M HA 0.269 4.406 4.480 -0.570 0.000 0.265 41 M C 0.978 177.412 176.300 0.224 0.000 1.066 41 M CA 1.121 56.502 55.300 0.134 0.000 1.123 41 M CB -0.087 32.562 32.600 0.082 0.000 1.388 41 M HN 0.343 nan 8.290 nan 0.000 0.425 42 G N 0.836 109.712 108.800 0.126 0.000 2.535 42 G HA2 0.398 4.016 3.960 -0.570 0.000 0.282 42 G HA3 0.398 4.016 3.960 -0.570 0.000 0.282 42 G C -0.772 174.229 174.900 0.169 0.000 1.350 42 G CA -0.740 44.507 45.100 0.245 0.000 1.039 42 G HN 0.481 nan 8.290 nan 0.000 0.509 43 Q N -1.467 118.390 119.800 0.095 0.000 2.199 43 Q HA 0.441 4.438 4.340 -0.570 0.000 0.232 43 Q C -0.912 174.968 176.000 -0.200 0.000 0.969 43 Q CA -0.832 54.848 55.803 -0.206 0.000 0.925 43 Q CB 1.918 30.248 28.738 -0.681 0.000 1.198 43 Q HN 0.307 nan 8.270 nan 0.000 0.494 44 L N 1.021 122.099 121.223 -0.241 0.000 2.260 44 L HA 0.265 4.262 4.340 -0.570 0.000 0.289 44 L C -1.567 175.161 176.870 -0.237 0.000 1.057 44 L CA -0.037 54.737 54.840 -0.110 0.000 0.811 44 L CB 0.240 42.253 42.059 -0.077 0.000 1.184 44 L HN 0.501 nan 8.230 nan 0.000 0.429 45 W N 6.231 127.529 121.300 -0.004 0.000 2.072 45 W HA 0.332 4.652 4.660 -0.567 0.000 0.413 45 W C 0.776 177.192 176.519 -0.171 0.000 0.865 45 W CA -0.210 57.076 57.345 -0.099 0.000 1.579 45 W CB -0.045 29.382 29.460 -0.055 0.000 1.720 45 W HN 0.798 nan 8.180 nan 0.000 0.301 46 N N -0.345 118.326 118.700 -0.047 0.000 2.142 46 N HA 0.036 4.434 4.740 -0.570 0.000 0.233 46 N C -0.284 175.180 175.510 -0.077 0.000 1.335 46 N CA -0.471 52.546 53.050 -0.056 0.000 0.837 46 N CB 0.390 38.857 38.487 -0.034 0.000 1.238 46 N HN 0.107 nan 8.380 nan 0.000 0.501 47 Q N 2.274 122.014 119.800 -0.100 0.000 2.333 47 Q HA 0.369 4.367 4.340 -0.570 0.000 0.265 47 Q C -2.581 173.379 176.000 -0.068 0.000 0.989 47 Q CA -1.661 54.092 55.803 -0.083 0.000 0.842 47 Q CB 2.497 31.176 28.738 -0.098 0.000 1.262 47 Q HN 0.267 nan 8.270 nan 0.000 0.451 48 P HA 0.007 nan 4.420 nan 0.000 0.268 48 P C 0.076 177.362 177.300 -0.024 0.000 1.204 48 P CA 0.191 63.269 63.100 -0.037 0.000 0.768 48 P CB 0.865 32.550 31.700 -0.024 0.000 0.842 49 G N 3.014 111.808 108.800 -0.010 0.000 2.509 49 G HA2 0.275 3.893 3.960 -0.570 0.000 0.269 49 G HA3 0.275 3.893 3.960 -0.570 0.000 0.269 49 G C -1.573 173.317 174.900 -0.015 0.000 1.416 49 G CA -0.944 44.151 45.100 -0.008 0.000 1.052 49 G HN 0.243 nan 8.290 nan 0.000 0.542 50 P HA -0.006 nan 4.420 nan 0.000 0.220 50 P C 0.711 178.006 177.300 -0.009 0.000 1.148 50 P CA 1.420 64.505 63.100 -0.024 0.000 0.803 50 P CB 0.151 31.828 31.700 -0.038 0.000 0.782 51 D N -2.673 117.728 120.400 0.001 0.000 2.340 51 D HA 0.164 4.461 4.640 -0.570 0.000 0.217 51 D C 1.401 177.713 176.300 0.019 0.000 1.081 51 D CA 0.319 54.327 54.000 0.013 0.000 0.842 51 D CB -0.720 40.094 40.800 0.023 0.000 0.934 51 D HN 0.175 nan 8.370 nan 0.000 0.511 52 G N -0.159 108.648 108.800 0.012 0.000 2.199 52 G HA2 -0.278 3.340 3.960 -0.570 0.000 0.254 52 G HA3 -0.278 3.340 3.960 -0.570 0.000 0.254 52 G C 0.099 175.008 174.900 0.015 0.000 0.982 52 G CA -0.045 45.063 45.100 0.014 0.000 0.632 52 G HN 0.417 nan 8.290 nan 0.000 0.529 53 N N -0.451 118.259 118.700 0.017 0.000 2.472 53 N HA 0.640 5.038 4.740 -0.570 0.000 0.289 53 N C 1.620 177.113 175.510 -0.028 0.000 1.156 53 N CA -0.436 52.618 53.050 0.007 0.000 0.940 53 N CB 1.343 39.856 38.487 0.044 0.000 1.200 53 N HN 0.042 nan 8.380 nan 0.000 0.511 54 I N -0.076 120.429 120.570 -0.108 0.000 2.277 54 I HA -0.014 3.814 4.170 -0.570 0.000 0.243 54 I C 0.080 176.046 176.117 -0.252 0.000 1.094 54 I CA 1.146 62.297 61.300 -0.247 0.000 1.393 54 I CB 0.053 37.733 38.000 -0.534 0.000 1.078 54 I HN 0.271 nan 8.210 nan 0.000 0.417 55 F N 0.458 120.445 119.950 0.060 0.000 2.470 55 F HA 0.354 4.539 4.527 -0.570 0.000 0.329 55 F C 0.483 176.299 175.800 0.025 0.000 1.072 55 F CA -1.710 56.289 58.000 -0.001 0.000 0.989 55 F CB 0.692 39.639 39.000 -0.088 0.000 1.193 55 F HN 0.054 nan 8.300 nan 0.000 0.481 56 C N 0.093 119.533 119.300 0.234 0.000 2.398 56 C HA 0.905 5.023 4.460 -0.570 0.000 0.364 56 C C 0.660 175.782 174.990 0.220 0.000 1.219 56 C CA -0.720 58.391 59.018 0.155 0.000 2.312 56 C CB 0.341 28.114 27.740 0.055 0.000 2.428 56 C HN 1.029 nan 8.230 nan 0.000 0.564 57 G N 1.459 110.368 108.800 0.181 0.000 2.588 57 G HA2 0.448 4.066 3.960 -0.570 0.000 0.281 57 G HA3 0.448 4.066 3.960 -0.570 0.000 0.281 57 G C 0.445 175.508 174.900 0.272 0.000 1.236 57 G CA -0.952 44.259 45.100 0.185 0.000 0.969 57 G HN 0.864 nan 8.290 nan 0.000 0.504 58 M N -0.427 119.285 119.600 0.188 0.000 2.476 58 M HA 0.060 4.198 4.480 -0.570 0.000 0.262 58 M C 1.732 178.138 176.300 0.176 0.000 1.079 58 M CA 0.613 56.039 55.300 0.209 0.000 1.104 58 M CB -0.098 32.510 32.600 0.013 0.000 1.409 58 M HN 0.224 nan 8.290 nan 0.000 0.467 59 L N 0.164 121.458 121.223 0.118 0.000 2.529 59 L HA 0.027 4.024 4.340 -0.570 0.000 0.223 59 L C 0.635 177.552 176.870 0.078 0.000 1.113 59 L CA 1.060 55.952 54.840 0.086 0.000 0.861 59 L CB -0.450 41.646 42.059 0.062 0.000 1.012 59 L HN 0.436 nan 8.230 nan 0.000 0.461 60 N N -1.416 117.337 118.700 0.089 0.000 2.672 60 N HA 0.237 4.635 4.740 -0.570 0.000 0.295 60 N C -2.806 172.727 175.510 0.037 0.000 1.924 60 N CA -1.081 52.003 53.050 0.057 0.000 0.851 60 N CB 0.539 39.055 38.487 0.049 0.000 1.281 60 N HN -0.089 nan 8.380 nan 0.000 0.494 61 P HA 0.141 nan 4.420 nan 0.000 0.271 61 P C -0.928 176.314 177.300 -0.097 0.000 1.216 61 P CA 0.426 63.466 63.100 -0.100 0.000 0.776 61 P CB 1.382 33.006 31.700 -0.127 0.000 0.881 62 D N 1.515 121.836 120.400 -0.133 0.000 2.904 62 D HA 0.148 4.446 4.640 -0.570 0.000 0.290 62 D C 1.115 177.349 176.300 -0.109 0.000 1.180 62 D CA -0.689 53.252 54.000 -0.098 0.000 1.065 62 D CB 0.151 40.904 40.800 -0.077 0.000 1.386 62 D HN 0.285 nan 8.370 nan 0.000 0.599 63 K N -0.168 120.162 120.400 -0.115 0.000 2.211 63 K HA -0.089 3.889 4.320 -0.570 0.000 0.204 63 K C 1.613 178.248 176.600 0.060 0.000 1.047 63 K CA 0.883 57.111 56.287 -0.097 0.000 0.935 63 K CB -0.157 32.194 32.500 -0.249 0.000 0.728 63 K HN 0.177 nan 8.250 nan 0.000 0.452 64 R N 1.205 121.750 120.500 0.075 0.000 2.189 64 R HA -0.050 3.948 4.340 -0.570 0.000 0.223 64 R C 2.444 178.848 176.300 0.174 0.000 1.092 64 R CA 1.383 57.691 56.100 0.347 0.000 0.989 64 R CB -0.187 30.316 30.300 0.339 0.000 0.876 64 R HN 0.496 nan 8.270 nan 0.000 0.457 65 S N -0.887 114.766 115.700 -0.079 0.000 2.461 65 S HA 0.010 4.138 4.470 -0.570 0.000 0.228 65 S C 0.928 175.488 174.600 -0.066 0.000 1.005 65 S CA 0.069 58.063 58.200 -0.344 0.000 0.942 65 S CB 0.319 62.901 63.200 -1.030 0.000 0.776 65 S HN 0.049 nan 8.310 nan 0.000 0.514 66 S N 0.127 115.855 115.700 0.046 0.000 2.526 66 S HA 0.436 4.564 4.470 -0.570 0.000 0.293 66 S C -1.561 173.143 174.600 0.174 0.000 1.092 66 S CA -0.873 57.411 58.200 0.139 0.000 0.980 66 S CB 0.982 64.237 63.200 0.092 0.000 1.048 66 S HN 0.566 nan 8.310 nan 0.000 0.483 67 W N 6.509 127.841 121.300 0.053 0.000 2.433 67 W HA 0.281 4.598 4.660 -0.572 0.000 0.331 67 W C -1.180 175.410 176.519 0.119 0.000 1.110 67 W CA -0.660 56.707 57.345 0.036 0.000 1.450 67 W CB -0.511 29.036 29.460 0.144 0.000 1.348 67 W HN 0.860 nan 8.180 nan 0.000 0.415 68 F N 3.566 123.351 119.950 -0.275 0.000 2.773 68 F HA -0.334 3.851 4.527 -0.570 0.000 0.251 68 F C 0.402 176.171 175.800 -0.052 0.000 1.020 68 F CA 1.108 58.968 58.000 -0.234 0.000 0.924 68 F CB -1.054 37.695 39.000 -0.419 0.000 0.919 68 F HN 0.150 nan 8.300 nan 0.000 0.846 69 K N 0.705 121.154 120.400 0.082 0.000 2.350 69 K HA 0.444 4.422 4.320 -0.570 0.000 0.241 69 K C 0.770 177.407 176.600 0.061 0.000 0.994 69 K CA -0.649 55.692 56.287 0.090 0.000 0.839 69 K CB 1.164 33.723 32.500 0.099 0.000 1.244 69 K HN 0.131 nan 8.250 nan 0.000 0.443 70 N N 0.366 119.102 118.700 0.059 0.000 2.280 70 N HA 0.005 4.403 4.740 -0.570 0.000 0.192 70 N C -0.003 175.530 175.510 0.037 0.000 1.109 70 N CA 0.055 53.131 53.050 0.043 0.000 0.855 70 N CB 0.718 39.231 38.487 0.042 0.000 0.974 70 N HN 0.456 nan 8.380 nan 0.000 0.482 71 R N -0.251 120.277 120.500 0.047 0.000 2.629 71 R HA 0.253 4.250 4.340 -0.570 0.000 0.266 71 R C -1.153 175.183 176.300 0.060 0.000 1.051 71 R CA -0.452 55.677 56.100 0.048 0.000 0.895 71 R CB 1.053 31.389 30.300 0.059 0.000 1.246 71 R HN 0.163 nan 8.270 nan 0.000 0.459 72 T N -0.392 114.191 114.554 0.049 0.000 2.868 72 T HA 0.361 4.369 4.350 -0.570 0.000 0.292 72 T C -0.102 174.671 174.700 0.121 0.000 1.028 72 T CA -0.520 61.615 62.100 0.058 0.000 1.059 72 T CB 1.218 70.093 68.868 0.012 0.000 0.991 72 T HN 0.545 nan 8.240 nan 0.000 0.531 73 E N -0.088 120.220 120.200 0.179 0.000 2.288 73 E HA 0.574 4.582 4.350 -0.570 0.000 0.268 73 E C -0.711 176.057 176.600 0.281 0.000 0.885 73 E CA -1.310 55.235 56.400 0.241 0.000 0.767 73 E CB 2.163 32.026 29.700 0.271 0.000 1.220 73 E HN 0.913 nan 8.360 nan 0.000 0.427 74 A N 3.060 126.049 122.820 0.282 0.000 2.388 74 A HA 0.413 4.391 4.320 -0.570 0.000 0.257 74 A C -2.256 175.480 177.584 0.252 0.000 1.095 74 A CA -1.180 51.009 52.037 0.253 0.000 0.791 74 A CB -0.226 18.912 19.000 0.229 0.000 1.029 74 A HN 0.306 nan 8.150 nan 0.000 0.489 75 P HA 0.114 nan 4.420 nan 0.000 0.265 75 P C -0.173 177.198 177.300 0.118 0.000 1.193 75 P CA -0.291 62.867 63.100 0.096 0.000 0.765 75 P CB 0.272 31.967 31.700 -0.008 0.000 0.823 76 L N 3.569 124.837 121.223 0.076 0.000 2.706 76 L HA 0.106 4.103 4.340 -0.570 0.000 0.282 76 L C 1.446 178.391 176.870 0.126 0.000 1.219 76 L CA 2.234 57.114 54.840 0.066 0.000 0.935 76 L CB -1.148 40.800 42.059 -0.186 0.000 1.204 76 L HN 0.812 nan 8.230 nan 0.000 0.491 77 G N 2.254 111.201 108.800 0.246 0.000 2.194 77 G HA2 -0.267 3.351 3.960 -0.570 0.000 0.236 77 G HA3 -0.267 3.351 3.960 -0.570 0.000 0.236 77 G C 0.554 175.562 174.900 0.180 0.000 0.987 77 G CA 0.518 45.716 45.100 0.163 0.000 0.635 77 G HN 1.338 nan 8.290 nan 0.000 0.520 78 S N -0.708 115.136 115.700 0.240 0.000 2.754 78 S HA 0.480 4.607 4.470 -0.570 0.000 0.247 78 S C 1.296 176.096 174.600 0.333 0.000 1.031 78 S CA 0.600 59.022 58.200 0.370 0.000 1.014 78 S CB -0.035 63.294 63.200 0.216 0.000 0.918 78 S HN 0.773 nan 8.310 nan 0.000 0.519 79 F N 2.746 122.754 119.950 0.095 0.000 2.126 79 F HA 0.025 4.209 4.527 -0.571 0.000 0.299 79 F C 1.645 177.386 175.800 -0.099 0.000 1.096 79 F CA 1.619 59.629 58.000 0.017 0.000 1.255 79 F CB -0.307 38.693 39.000 -0.001 0.000 0.997 79 F HN 0.242 nan 8.300 nan 0.000 0.479 80 L N -1.099 119.979 121.223 -0.242 0.000 2.261 80 L HA -0.243 3.755 4.340 -0.570 0.000 0.216 80 L C 1.891 178.296 176.870 -0.775 0.000 1.114 80 L CA 0.994 55.420 54.840 -0.690 0.000 0.777 80 L CB -0.585 40.739 42.059 -1.225 0.000 0.910 80 L HN 0.406 nan 8.230 nan 0.000 0.440 81 W N -1.699 119.533 121.300 -0.113 0.000 2.866 81 W HA 0.208 4.689 4.660 -0.299 0.000 0.258 81 W C 1.719 178.170 176.519 -0.114 0.000 1.183 81 W CA -0.071 57.214 57.345 -0.100 0.000 1.451 81 W CB 0.160 29.578 29.460 -0.070 0.000 0.959 81 W HN 0.023 nan 8.180 nan 0.000 0.622 82 L N 0.490 121.772 121.223 0.099 0.000 2.607 82 L HA 0.052 4.049 4.340 -0.570 0.000 0.228 82 L C 1.602 178.429 176.870 -0.071 0.000 1.123 82 L CA 0.443 55.306 54.840 0.039 0.000 0.890 82 L CB -0.342 41.775 42.059 0.096 0.000 1.103 82 L HN -0.181 nan 8.230 nan 0.000 0.468 83 D N 0.305 120.536 120.400 -0.281 0.000 2.269 83 D HA -0.157 4.141 4.640 -0.570 0.000 0.208 83 D C 2.106 178.288 176.300 -0.198 0.000 0.963 83 D CA 0.636 54.409 54.000 -0.378 0.000 0.864 83 D CB 0.340 40.531 40.800 -1.015 0.000 0.936 83 D HN 0.044 nan 8.370 nan 0.000 0.505 84 V N 0.195 120.016 119.914 -0.154 0.000 2.594 84 V HA -0.140 3.638 4.120 -0.570 0.000 0.253 84 V C 2.075 178.148 176.094 -0.035 0.000 1.069 84 V CA 1.851 64.102 62.300 -0.082 0.000 1.082 84 V CB -0.093 31.695 31.823 -0.058 0.000 0.680 84 V HN 0.355 nan 8.190 nan 0.000 0.469 85 V N -2.032 117.872 119.914 -0.016 0.000 3.649 85 V HA 0.249 4.027 4.120 -0.570 0.000 0.275 85 V C 0.837 176.940 176.094 0.014 0.000 1.281 85 V CA 0.029 62.334 62.300 0.009 0.000 1.143 85 V CB -1.516 30.326 31.823 0.031 0.000 0.892 85 V HN 0.581 nan 8.190 nan 0.000 0.441 86 N N 2.042 120.747 118.700 0.008 0.000 2.492 86 N HA 0.370 4.767 4.740 -0.570 0.000 0.260 86 N C -0.309 175.211 175.510 0.016 0.000 1.215 86 N CA -0.132 52.933 53.050 0.025 0.000 0.923 86 N CB 0.404 38.915 38.487 0.040 0.000 1.092 86 N HN 0.301 nan 8.380 nan 0.000 0.448 87 R N 1.188 121.697 120.500 0.015 0.000 2.799 87 R HA 0.368 4.366 4.340 -0.570 0.000 0.270 87 R C -1.031 175.275 176.300 0.010 0.000 1.010 87 R CA -0.951 55.154 56.100 0.008 0.000 0.916 87 R CB 0.660 30.958 30.300 -0.004 0.000 1.228 87 R HN 0.528 nan 8.270 nan 0.000 0.469 88 N N 1.495 120.200 118.700 0.008 0.000 2.520 88 N HA 0.370 4.768 4.740 -0.570 0.000 0.273 88 N C 0.024 175.531 175.510 -0.005 0.000 1.155 88 N CA -0.032 53.023 53.050 0.009 0.000 0.967 88 N CB 0.580 39.073 38.487 0.010 0.000 1.092 88 N HN 0.436 nan 8.380 nan 0.000 0.457 89 I N -2.414 118.153 120.570 -0.004 0.000 2.969 89 I HA 0.539 4.367 4.170 -0.570 0.000 0.307 89 I C -0.845 175.264 176.117 -0.013 0.000 1.149 89 I CA -1.089 60.198 61.300 -0.022 0.000 1.008 89 I CB 2.217 40.197 38.000 -0.033 0.000 1.232 89 I HN 0.039 nan 8.210 nan 0.000 0.435 90 D N 3.927 124.310 120.400 -0.028 0.000 2.304 90 D HA 0.304 4.601 4.640 -0.570 0.000 0.250 90 D C -2.416 173.890 176.300 0.009 0.000 1.107 90 D CA -0.927 53.069 54.000 -0.006 0.000 0.885 90 D CB 1.105 41.893 40.800 -0.020 0.000 1.192 90 D HN 0.353 nan 8.370 nan 0.000 0.436 91 P HA 0.018 nan 4.420 nan 0.000 0.263 91 P C -1.010 176.260 177.300 -0.050 0.000 1.195 91 P CA 0.490 63.627 63.100 0.062 0.000 0.762 91 P CB 0.108 31.940 31.700 0.220 0.000 0.799 92 Y N 2.373 122.276 120.300 -0.663 0.000 2.597 92 Y HA 0.553 4.760 4.550 -0.571 0.000 0.340 92 Y C -0.614 174.406 175.900 -1.467 0.000 1.097 92 Y CA -1.427 56.179 58.100 -0.823 0.000 1.037 92 Y CB 1.428 39.676 38.460 -0.352 0.000 1.305 92 Y HN 0.345 nan 8.280 nan 0.000 0.463 93 A N 3.127 124.886 122.820 -1.769 0.000 3.046 93 A HA 0.422 4.399 4.320 -0.570 0.000 0.259 93 A C 0.701 178.063 177.584 -0.371 0.000 1.843 93 A CA 0.499 51.781 52.037 -1.259 0.000 1.451 93 A CB -1.680 16.898 19.000 -0.702 0.000 1.025 93 A HN 0.960 nan 8.150 nan 0.000 0.625 94 G N -0.885 107.878 108.800 -0.061 0.000 2.684 94 G HA2 0.287 3.905 3.960 -0.570 0.000 0.255 94 G HA3 0.287 3.905 3.960 -0.570 0.000 0.255 94 G C 1.026 176.293 174.900 0.612 0.000 1.219 94 G CA 0.196 45.550 45.100 0.422 0.000 0.901 94 G HN 0.559 nan 8.290 nan 0.000 0.548 95 V N -0.223 119.914 119.914 0.370 0.000 2.649 95 V HA 0.187 3.964 4.120 -0.570 0.000 0.248 95 V C 0.836 177.020 176.094 0.149 0.000 1.054 95 V CA 0.768 63.157 62.300 0.150 0.000 1.073 95 V CB -0.266 31.328 31.823 -0.381 0.000 0.699 95 V HN 0.416 nan 8.190 nan 0.000 0.463 96 L N 1.120 122.470 121.223 0.211 0.000 2.296 96 L HA 0.583 4.581 4.340 -0.570 0.000 0.286 96 L C -0.947 176.081 176.870 0.263 0.000 1.023 96 L CA -0.120 54.852 54.840 0.221 0.000 0.812 96 L CB 1.378 43.617 42.059 0.300 0.000 1.223 96 L HN 0.090 nan 8.230 nan 0.000 0.421 97 D N 4.069 124.579 120.400 0.183 0.000 2.408 97 D HA 0.276 4.573 4.640 -0.570 0.000 0.243 97 D C -0.795 175.537 176.300 0.053 0.000 1.075 97 D CA -0.349 53.748 54.000 0.162 0.000 0.832 97 D CB 1.146 41.946 40.800 -0.001 0.000 1.162 97 D HN 0.505 nan 8.370 nan 0.000 0.515 98 R N 4.336 124.830 120.500 -0.011 0.000 2.230 98 R HA 0.357 4.355 4.340 -0.570 0.000 0.337 98 R C -1.181 175.010 176.300 -0.182 0.000 1.063 98 R CA -0.562 55.360 56.100 -0.298 0.000 0.935 98 R CB 0.426 30.516 30.300 -0.351 0.000 1.121 98 R HN 0.189 nan 8.270 nan 0.000 0.486 99 V N 5.580 125.377 119.914 -0.195 0.000 2.368 99 V HA 0.160 3.938 4.120 -0.570 0.000 0.266 99 V C -0.065 175.810 176.094 -0.366 0.000 1.045 99 V CA -0.686 61.469 62.300 -0.242 0.000 0.899 99 V CB 0.946 32.637 31.823 -0.220 0.000 1.006 99 V HN 0.710 nan 8.190 nan 0.000 0.470 100 N N 4.779 123.269 118.700 -0.350 0.000 2.422 100 N HA 0.448 4.845 4.740 -0.570 0.000 0.266 100 N C -0.759 174.520 175.510 -0.385 0.000 1.007 100 N CA -0.174 52.712 53.050 -0.273 0.000 0.941 100 N CB 1.597 40.016 38.487 -0.113 0.000 1.115 100 N HN 0.557 nan 8.380 nan 0.000 0.492 101 Y N 0.131 120.429 120.300 -0.002 0.000 2.654 101 Y HA 0.174 4.382 4.550 -0.571 0.000 0.328 101 Y C 1.580 177.488 175.900 0.014 0.000 1.174 101 Y CA -0.950 57.143 58.100 -0.013 0.000 1.293 101 Y CB 0.824 39.241 38.460 -0.071 0.000 1.464 101 Y HN 0.326 nan 8.280 nan 0.000 0.559 102 D N -0.217 120.306 120.400 0.206 0.000 2.106 102 D HA -0.179 4.119 4.640 -0.570 0.000 0.191 102 D C 0.407 176.786 176.300 0.131 0.000 0.997 102 D CA 1.882 55.958 54.000 0.127 0.000 0.834 102 D CB -0.035 40.821 40.800 0.093 0.000 0.956 102 D HN 0.552 nan 8.370 nan 0.000 0.448 103 Q N -1.179 118.727 119.800 0.177 0.000 2.106 103 Q HA 0.328 4.326 4.340 -0.570 0.000 0.273 103 Q C -0.659 175.508 176.000 0.279 0.000 0.853 103 Q CA -0.278 55.645 55.803 0.200 0.000 1.118 103 Q CB 1.199 30.043 28.738 0.177 0.000 1.240 103 Q HN 0.049 nan 8.270 nan 0.000 0.445 104 M N 0.211 119.954 119.600 0.238 0.000 2.325 104 M HA 0.345 4.483 4.480 -0.570 0.000 0.285 104 M C -1.855 174.559 176.300 0.191 0.000 1.119 104 M CA -0.126 55.298 55.300 0.207 0.000 0.959 104 M CB 2.397 35.057 32.600 0.101 0.000 1.737 104 M HN -0.159 nan 8.290 nan 0.000 0.486 105 S N 3.184 118.992 115.700 0.180 0.000 2.530 105 S HA 0.772 4.899 4.470 -0.570 0.000 0.322 105 S C -1.089 173.612 174.600 0.168 0.000 1.085 105 S CA -0.691 57.574 58.200 0.108 0.000 1.096 105 S CB 1.158 64.419 63.200 0.102 0.000 0.988 105 S HN 0.567 nan 8.310 nan 0.000 0.466 106 V N 4.480 124.462 119.914 0.112 0.000 2.394 106 V HA 0.376 4.153 4.120 -0.570 0.000 0.282 106 V C -1.067 175.105 176.094 0.131 0.000 1.031 106 V CA -0.674 61.769 62.300 0.238 0.000 0.881 106 V CB 0.394 32.407 31.823 0.315 0.000 0.982 106 V HN 0.765 nan 8.190 nan 0.000 0.451 107 Y N 4.196 124.670 120.300 0.290 0.000 2.326 107 Y HA 0.629 4.839 4.550 -0.567 0.000 0.337 107 Y C 0.275 176.264 175.900 0.149 0.000 1.023 107 Y CA -0.580 57.656 58.100 0.226 0.000 1.143 107 Y CB 1.827 40.452 38.460 0.275 0.000 1.183 107 Y HN 0.555 nan 8.280 nan 0.000 0.485 108 V N 0.046 120.080 119.914 0.199 0.000 3.049 108 V HA 0.971 4.749 4.120 -0.570 0.000 0.309 108 V C -0.087 176.037 176.094 0.051 0.000 1.148 108 V CA -1.074 61.294 62.300 0.113 0.000 0.990 108 V CB 1.589 33.455 31.823 0.072 0.000 1.039 108 V HN 0.855 nan 8.190 nan 0.000 0.430 109 G N 2.298 111.110 108.800 0.021 0.000 2.448 109 G HA2 0.659 4.276 3.960 -0.570 0.000 0.285 109 G HA3 0.659 4.276 3.960 -0.570 0.000 0.285 109 G C -0.507 174.356 174.900 -0.061 0.000 1.176 109 G CA -0.796 44.296 45.100 -0.013 0.000 0.852 109 G HN 0.742 nan 8.290 nan 0.000 0.530 110 R N 0.664 121.136 120.500 -0.047 0.000 2.483 110 R HA 0.693 4.691 4.340 -0.570 0.000 0.303 110 R C 0.037 176.423 176.300 0.144 0.000 0.987 110 R CA -0.166 55.859 56.100 -0.124 0.000 0.881 110 R CB 1.426 31.448 30.300 -0.464 0.000 1.177 110 R HN 1.163 nan 8.270 nan 0.000 0.451 111 G N 0.264 109.146 108.800 0.136 0.000 2.368 111 G HA2 -0.060 3.558 3.960 -0.570 0.000 0.302 111 G HA3 -0.060 3.558 3.960 -0.570 0.000 0.302 111 G C -1.377 173.630 174.900 0.179 0.000 1.329 111 G CA -1.029 44.255 45.100 0.307 0.000 0.935 111 G HN 0.202 nan 8.290 nan 0.000 0.590 112 V N 1.676 121.709 119.914 0.199 0.000 2.409 112 V HA 0.443 4.221 4.120 -0.570 0.000 0.270 112 V C 1.628 177.764 176.094 0.070 0.000 1.019 112 V CA 2.278 64.636 62.300 0.097 0.000 1.066 112 V CB 0.041 31.912 31.823 0.080 0.000 1.021 112 V HN 2.592 nan 8.190 nan 0.000 0.476 113 G N 3.237 112.021 108.800 -0.026 0.000 2.296 113 G HA2 0.105 3.723 3.960 -0.570 0.000 0.188 113 G HA3 0.105 3.723 3.960 -0.570 0.000 0.188 113 G C 0.836 175.631 174.900 -0.174 0.000 1.000 113 G CA 0.137 45.164 45.100 -0.122 0.000 0.672 113 G HN 1.801 nan 8.290 nan 0.000 0.483 114 G N -0.017 108.733 108.800 -0.082 0.000 2.611 114 G HA2 0.079 3.696 3.960 -0.570 0.000 0.301 114 G HA3 0.079 3.696 3.960 -0.570 0.000 0.301 114 G C 1.774 176.637 174.900 -0.061 0.000 1.233 114 G CA 1.960 47.019 45.100 -0.069 0.000 0.993 114 G HN 1.845 nan 8.290 nan 0.000 0.553 115 G N 0.035 108.831 108.800 -0.006 0.000 2.498 115 G HA2 0.112 3.730 3.960 -0.570 0.000 0.219 115 G HA3 0.112 3.730 3.960 -0.570 0.000 0.219 115 G C 2.176 177.094 174.900 0.030 0.000 1.119 115 G CA 2.278 47.410 45.100 0.053 0.000 0.766 115 G HN 1.953 nan 8.290 nan 0.000 0.552 116 S N 0.324 115.974 115.700 -0.084 0.000 2.442 116 S HA 0.016 4.143 4.470 -0.570 0.000 0.236 116 S C 2.235 176.741 174.600 -0.156 0.000 1.007 116 S CA 0.798 58.904 58.200 -0.158 0.000 0.965 116 S CB -0.278 62.649 63.200 -0.455 0.000 0.773 116 S HN 0.326 nan 8.310 nan 0.000 0.504 117 L N 1.269 122.389 121.223 -0.172 0.000 2.109 117 L HA 0.033 4.031 4.340 -0.570 0.000 0.207 117 L C 2.506 179.175 176.870 -0.336 0.000 1.086 117 L CA 1.232 55.914 54.840 -0.263 0.000 0.760 117 L CB -0.462 41.447 42.059 -0.250 0.000 0.910 117 L HN 0.494 nan 8.230 nan 0.000 0.437 118 V N -3.717 116.063 119.914 -0.222 0.000 3.578 118 V HA 0.153 3.931 4.120 -0.570 0.000 0.290 118 V C 0.852 176.852 176.094 -0.157 0.000 1.376 118 V CA -0.475 61.695 62.300 -0.217 0.000 1.083 118 V CB -1.156 30.568 31.823 -0.164 0.000 0.911 118 V HN 0.478 nan 8.190 nan 0.000 0.433 119 N N 0.751 119.408 118.700 -0.071 0.000 2.408 119 N HA 0.265 4.663 4.740 -0.570 0.000 0.260 119 N C 1.161 176.695 175.510 0.039 0.000 1.242 119 N CA 0.014 53.068 53.050 0.007 0.000 0.959 119 N CB 1.541 40.119 38.487 0.151 0.000 1.201 119 N HN 0.118 nan 8.380 nan 0.000 0.511 120 G N -1.683 107.169 108.800 0.088 0.000 2.848 120 G HA2 0.179 3.797 3.960 -0.570 0.000 0.208 120 G HA3 0.179 3.797 3.960 -0.570 0.000 0.208 120 G C 1.085 176.091 174.900 0.177 0.000 1.152 120 G CA 0.223 45.388 45.100 0.107 0.000 0.789 120 G HN 1.086 nan 8.290 nan 0.000 0.531 121 G N -0.242 108.727 108.800 0.282 0.000 2.189 121 G HA2 -0.339 3.279 3.960 -0.570 0.000 0.267 121 G HA3 -0.339 3.279 3.960 -0.570 0.000 0.267 121 G C 0.595 175.710 174.900 0.359 0.000 0.975 121 G CA 0.424 45.750 45.100 0.377 0.000 0.644 121 G HN 0.463 nan 8.290 nan 0.000 0.537 122 M N 1.252 120.966 119.600 0.190 0.000 2.364 122 M HA 0.418 4.555 4.480 -0.570 0.000 0.342 122 M C 0.713 176.811 176.300 -0.336 0.000 1.601 122 M CA 0.765 56.078 55.300 0.021 0.000 1.156 122 M CB 0.734 33.367 32.600 0.056 0.000 1.912 122 M HN 0.440 nan 8.290 nan 0.000 0.460 123 A N 5.266 127.952 122.820 -0.223 0.000 2.341 123 A HA 0.640 4.618 4.320 -0.570 0.000 0.326 123 A C -0.495 176.957 177.584 -0.220 0.000 1.402 123 A CA -0.605 51.214 52.037 -0.364 0.000 0.957 123 A CB 0.319 19.315 19.000 -0.006 0.000 1.151 123 A HN 0.615 nan 8.150 nan 0.000 0.533 124 V N 2.530 122.262 119.914 -0.303 0.000 2.656 124 V HA 0.357 4.134 4.120 -0.570 0.000 0.307 124 V C -0.094 175.820 176.094 -0.300 0.000 1.051 124 V CA -0.782 61.373 62.300 -0.240 0.000 0.893 124 V CB 1.858 33.525 31.823 -0.260 0.000 0.999 124 V HN 0.917 nan 8.190 nan 0.000 0.426 125 E N 5.207 125.217 120.200 -0.317 0.000 2.249 125 E HA 0.372 4.380 4.350 -0.570 0.000 0.280 125 E C -2.350 174.005 176.600 -0.409 0.000 1.016 125 E CA -1.566 54.531 56.400 -0.505 0.000 0.830 125 E CB 1.493 30.826 29.700 -0.612 0.000 1.081 125 E HN 0.514 nan 8.360 nan 0.000 0.395 126 P HA 0.062 nan 4.420 nan 0.000 0.274 126 P C -0.883 176.377 177.300 -0.066 0.000 1.246 126 P CA -0.341 62.641 63.100 -0.197 0.000 0.795 126 P CB 0.822 32.540 31.700 0.031 0.000 1.006 127 K N 1.077 121.440 120.400 -0.062 0.000 2.368 127 K HA 0.067 4.045 4.320 -0.570 0.000 0.282 127 K C 1.646 178.318 176.600 0.121 0.000 1.035 127 K CA -0.091 56.201 56.287 0.008 0.000 0.973 127 K CB 0.682 33.199 32.500 0.028 0.000 0.957 127 K HN 0.395 nan 8.250 nan 0.000 0.474 128 R N 1.831 122.282 120.500 -0.081 0.000 2.103 128 R HA -0.203 3.794 4.340 -0.570 0.000 0.242 128 R C 1.967 178.316 176.300 0.081 0.000 1.142 128 R CA 2.393 58.374 56.100 -0.199 0.000 0.960 128 R CB -0.146 29.758 30.300 -0.660 0.000 0.858 128 R HN 0.802 nan 8.270 nan 0.000 0.439 129 S N -0.811 114.936 115.700 0.078 0.000 2.400 129 S HA -0.208 3.920 4.470 -0.570 0.000 0.232 129 S C 1.838 176.581 174.600 0.238 0.000 1.025 129 S CA 1.072 59.354 58.200 0.137 0.000 0.993 129 S CB -0.566 62.708 63.200 0.124 0.000 0.808 129 S HN 0.519 nan 8.310 nan 0.000 0.478 130 Y N 1.180 121.575 120.300 0.158 0.000 2.269 130 Y HA 0.182 4.391 4.550 -0.570 0.000 0.294 130 Y C 1.940 177.940 175.900 0.166 0.000 1.120 130 Y CA 0.104 58.315 58.100 0.184 0.000 1.159 130 Y CB -0.733 37.843 38.460 0.194 0.000 1.024 130 Y HN 0.279 nan 8.280 nan 0.000 0.532 131 F N 1.306 121.296 119.950 0.066 0.000 2.126 131 F HA -0.227 3.957 4.527 -0.571 0.000 0.299 131 F C 2.094 177.888 175.800 -0.010 0.000 1.096 131 F CA 2.285 60.308 58.000 0.037 0.000 1.255 131 F CB -0.278 38.880 39.000 0.264 0.000 0.997 131 F HN 0.099 nan 8.300 nan 0.000 0.479 132 E N -0.330 119.999 120.200 0.215 0.000 2.204 132 E HA -0.259 3.748 4.350 -0.570 0.000 0.195 132 E C 2.075 178.644 176.600 -0.052 0.000 0.990 132 E CA 1.222 57.683 56.400 0.102 0.000 0.821 132 E CB -0.262 29.521 29.700 0.139 0.000 0.750 132 E HN 0.620 nan 8.360 nan 0.000 0.477 133 E N 1.026 121.167 120.200 -0.100 0.000 2.112 133 E HA -0.143 3.865 4.350 -0.570 0.000 0.190 133 E C 2.202 178.655 176.600 -0.244 0.000 0.979 133 E CA 0.896 57.215 56.400 -0.136 0.000 0.814 133 E CB 0.010 29.660 29.700 -0.083 0.000 0.762 133 E HN 0.402 nan 8.360 nan 0.000 0.460 134 I N -1.832 118.486 120.570 -0.420 0.000 2.716 134 I HA 0.063 3.891 4.170 -0.570 0.000 0.259 134 I C 0.805 176.709 176.117 -0.356 0.000 1.172 134 I CA 0.568 61.623 61.300 -0.409 0.000 1.478 134 I CB 0.245 37.931 38.000 -0.524 0.000 1.104 134 I HN -0.071 nan 8.210 nan 0.000 0.439 135 L N 2.880 123.842 121.223 -0.436 0.000 2.551 135 L HA 0.382 4.380 4.340 -0.570 0.000 0.248 135 L C -1.735 174.991 176.870 -0.241 0.000 1.509 135 L CA -1.102 53.509 54.840 -0.382 0.000 0.842 135 L CB 1.069 42.769 42.059 -0.599 0.000 1.087 135 L HN -0.082 nan 8.230 nan 0.000 0.512 136 P HA -0.132 nan 4.420 nan 0.000 0.225 136 P C 1.074 178.352 177.300 -0.037 0.000 1.148 136 P CA 1.039 64.099 63.100 -0.066 0.000 0.779 136 P CB 0.247 31.915 31.700 -0.053 0.000 0.780 137 R N -0.552 119.912 120.500 -0.060 0.000 2.246 137 R HA 0.137 4.134 4.340 -0.570 0.000 0.199 137 R C 0.621 176.898 176.300 -0.038 0.000 0.984 137 R CA 0.103 56.177 56.100 -0.043 0.000 1.015 137 R CB 0.011 30.276 30.300 -0.058 0.000 0.930 137 R HN 0.089 nan 8.270 nan 0.000 0.475 138 V N 1.819 121.712 119.914 -0.035 0.000 2.567 138 V HA 0.026 3.803 4.120 -0.570 0.000 0.289 138 V C -0.146 176.025 176.094 0.127 0.000 1.049 138 V CA -0.827 61.483 62.300 0.016 0.000 0.969 138 V CB 1.529 33.386 31.823 0.057 0.000 0.995 138 V HN 0.032 nan 8.190 nan 0.000 0.471 139 D N 2.750 123.226 120.400 0.126 0.000 2.338 139 D HA 0.106 4.404 4.640 -0.570 0.000 0.255 139 D C 1.362 177.790 176.300 0.213 0.000 1.237 139 D CA 0.387 54.479 54.000 0.153 0.000 0.883 139 D CB 1.281 42.158 40.800 0.128 0.000 1.087 139 D HN 0.608 nan 8.370 nan 0.000 0.485 140 S N 1.873 117.730 115.700 0.261 0.000 2.419 140 S HA -0.162 3.966 4.470 -0.570 0.000 0.233 140 S C 1.848 176.611 174.600 0.271 0.000 1.016 140 S CA 0.749 59.136 58.200 0.311 0.000 0.974 140 S CB -0.109 63.293 63.200 0.336 0.000 0.786 140 S HN 0.333 nan 8.310 nan 0.000 0.492 141 S N 2.006 117.813 115.700 0.180 0.000 2.356 141 S HA -0.083 4.044 4.470 -0.570 0.000 0.223 141 S C 1.920 176.592 174.600 0.120 0.000 1.032 141 S CA 1.306 59.590 58.200 0.141 0.000 1.005 141 S CB -0.403 62.852 63.200 0.091 0.000 0.867 141 S HN 0.658 nan 8.310 nan 0.000 0.449 142 E N 0.502 120.770 120.200 0.113 0.000 2.085 142 E HA -0.135 3.872 4.350 -0.570 0.000 0.194 142 E C 2.121 178.752 176.600 0.052 0.000 0.994 142 E CA 1.002 57.451 56.400 0.082 0.000 0.801 142 E CB -0.132 29.698 29.700 0.216 0.000 0.743 142 E HN 0.342 nan 8.360 nan 0.000 0.453 143 M N -0.381 119.269 119.600 0.084 0.000 2.059 143 M HA -0.170 3.967 4.480 -0.570 0.000 0.259 143 M C 2.095 178.294 176.300 -0.168 0.000 1.072 143 M CA 1.703 56.915 55.300 -0.146 0.000 1.117 143 M CB -1.042 31.274 32.600 -0.473 0.000 1.320 143 M HN 0.187 nan 8.290 nan 0.000 0.408 144 Y N 0.507 120.859 120.300 0.087 0.000 2.373 144 Y HA -0.150 4.057 4.550 -0.571 0.000 0.293 144 Y C 2.146 178.085 175.900 0.065 0.000 1.129 144 Y CA 0.892 59.088 58.100 0.159 0.000 1.226 144 Y CB -0.346 38.153 38.460 0.066 0.000 1.000 144 Y HN 0.321 nan 8.280 nan 0.000 0.549 145 D N -1.055 119.411 120.400 0.109 0.000 2.216 145 D HA -0.003 4.295 4.640 -0.570 0.000 0.208 145 D C 2.043 178.303 176.300 -0.067 0.000 0.960 145 D CA 0.851 54.868 54.000 0.028 0.000 0.861 145 D CB 0.071 40.879 40.800 0.014 0.000 0.985 145 D HN 0.249 nan 8.370 nan 0.000 0.493 146 R N -1.157 119.225 120.500 -0.197 0.000 2.197 146 R HA 0.027 4.025 4.340 -0.570 0.000 0.188 146 R C 1.909 177.964 176.300 -0.408 0.000 1.015 146 R CA 0.128 55.999 56.100 -0.381 0.000 1.132 146 R CB 0.015 29.915 30.300 -0.666 0.000 1.134 146 R HN 0.008 nan 8.270 nan 0.000 0.560 147 Y N -0.085 120.151 120.300 -0.107 0.000 2.220 147 Y HA -0.038 4.170 4.550 -0.571 0.000 0.291 147 Y C 1.941 177.728 175.900 -0.189 0.000 1.129 147 Y CA 1.011 59.002 58.100 -0.182 0.000 1.161 147 Y CB -0.505 37.781 38.460 -0.289 0.000 0.997 147 Y HN 0.004 nan 8.280 nan 0.000 0.522 148 F N -0.110 119.804 119.950 -0.060 0.000 2.102 148 F HA -0.084 4.100 4.527 -0.570 0.000 0.298 148 F C -0.438 175.341 175.800 -0.036 0.000 1.105 148 F CA 1.022 58.954 58.000 -0.112 0.000 1.239 148 F CB -2.058 36.770 39.000 -0.287 0.000 0.991 148 F HN 0.042 nan 8.300 nan 0.000 0.474 149 P HA -0.167 nan 4.420 nan 0.000 0.217 149 P C 1.596 178.945 177.300 0.081 0.000 1.150 149 P CA 1.589 64.746 63.100 0.094 0.000 0.832 149 P CB -0.113 31.616 31.700 0.049 0.000 0.787 150 R N -0.107 120.433 120.500 0.068 0.000 2.075 150 R HA -0.091 3.906 4.340 -0.570 0.000 0.232 150 R C 2.045 178.422 176.300 0.129 0.000 1.126 150 R CA 1.621 57.767 56.100 0.077 0.000 0.963 150 R CB -0.803 29.548 30.300 0.086 0.000 0.858 150 R HN 0.052 nan 8.270 nan 0.000 0.435 151 A N 1.405 124.329 122.820 0.174 0.000 1.877 151 A HA -0.179 3.799 4.320 -0.570 0.000 0.216 151 A C 1.829 179.548 177.584 0.224 0.000 1.186 151 A CA 1.601 53.784 52.037 0.243 0.000 0.620 151 A CB -0.660 18.476 19.000 0.226 0.000 0.822 151 A HN 0.414 nan 8.150 nan 0.000 0.443 152 N N -0.002 118.807 118.700 0.181 0.000 2.104 152 N HA -0.144 4.254 4.740 -0.570 0.000 0.190 152 N C 2.108 177.683 175.510 0.108 0.000 1.024 152 N CA 1.614 54.754 53.050 0.148 0.000 0.853 152 N CB -0.469 38.092 38.487 0.123 0.000 1.008 152 N HN 0.505 nan 8.380 nan 0.000 0.424 153 S N 0.410 116.158 115.700 0.080 0.000 2.356 153 S HA -0.032 4.096 4.470 -0.570 0.000 0.223 153 S C 1.911 176.506 174.600 -0.008 0.000 1.032 153 S CA 0.838 59.059 58.200 0.035 0.000 1.005 153 S CB -0.018 63.195 63.200 0.021 0.000 0.867 153 S HN 0.109 nan 8.310 nan 0.000 0.449 154 M N 0.869 120.449 119.600 -0.034 0.000 2.229 154 M HA 0.097 4.234 4.480 -0.570 0.000 0.264 154 M C 1.966 178.171 176.300 -0.159 0.000 1.063 154 M CA 1.074 56.247 55.300 -0.212 0.000 1.114 154 M CB -1.272 31.056 32.600 -0.452 0.000 1.387 154 M HN 0.361 nan 8.290 nan 0.000 0.420 155 L N -0.682 120.584 121.223 0.071 0.000 2.478 155 L HA -0.038 3.960 4.340 -0.570 0.000 0.223 155 L C 0.479 177.392 176.870 0.071 0.000 1.140 155 L CA 0.155 55.087 54.840 0.153 0.000 0.842 155 L CB -0.231 42.002 42.059 0.291 0.000 0.953 155 L HN 0.360 nan 8.230 nan 0.000 0.452 156 R N -0.707 119.812 120.500 0.032 0.000 3.423 156 R HA -0.122 3.875 4.340 -0.570 0.000 0.271 156 R C -0.384 175.935 176.300 0.031 0.000 1.093 156 R CA -0.153 55.954 56.100 0.012 0.000 0.730 156 R CB -2.355 27.931 30.300 -0.025 0.000 1.190 156 R HN 0.058 nan 8.270 nan 0.000 0.437 157 V N 1.635 121.585 119.914 0.059 0.000 2.655 157 V HA 0.096 3.874 4.120 -0.570 0.000 0.300 157 V C 0.930 177.018 176.094 -0.011 0.000 1.044 157 V CA 0.640 62.964 62.300 0.040 0.000 1.095 157 V CB 1.111 32.962 31.823 0.047 0.000 0.952 157 V HN 0.593 nan 8.190 nan 0.000 0.485 158 N N 2.157 120.830 118.700 -0.044 0.000 2.647 158 N HA 0.506 4.904 4.740 -0.570 0.000 0.266 158 N C -1.270 174.199 175.510 -0.067 0.000 1.373 158 N CA -1.067 51.980 53.050 -0.004 0.000 0.807 158 N CB 1.790 40.346 38.487 0.116 0.000 1.513 158 N HN 0.599 nan 8.380 nan 0.000 0.505 159 H N 0.010 119.219 119.070 0.233 0.000 2.529 159 H HA 0.374 4.588 4.556 -0.571 0.000 0.348 159 H C -0.525 174.806 175.328 0.005 0.000 1.152 159 H CA -0.666 55.458 56.048 0.126 0.000 1.202 159 H CB 2.228 31.982 29.762 -0.012 0.000 1.562 159 H HN 0.491 nan 8.280 nan 0.000 0.515 160 I N 1.777 122.130 120.570 -0.361 0.000 2.575 160 I HA -0.076 3.752 4.170 -0.570 0.000 0.285 160 I C 0.270 176.187 176.117 -0.333 0.000 1.085 160 I CA -0.230 60.628 61.300 -0.738 0.000 1.403 160 I CB 0.517 37.761 38.000 -1.261 0.000 1.409 160 I HN 0.532 nan 8.210 nan 0.000 0.557 161 D N 4.837 125.171 120.400 -0.109 0.000 2.363 161 D HA -0.028 4.269 4.640 -0.570 0.000 0.263 161 D C 1.321 177.631 176.300 0.016 0.000 1.258 161 D CA 0.201 54.199 54.000 -0.004 0.000 0.907 161 D CB 1.114 41.981 40.800 0.112 0.000 1.107 161 D HN 0.660 nan 8.370 nan 0.000 0.495 162 T N 1.508 115.975 114.554 -0.145 0.000 2.833 162 T HA -0.198 3.809 4.350 -0.570 0.000 0.269 162 T C 1.713 176.485 174.700 0.119 0.000 1.054 162 T CA 1.058 63.080 62.100 -0.130 0.000 1.135 162 T CB -0.021 68.688 68.868 -0.265 0.000 0.869 162 T HN 0.403 nan 8.240 nan 0.000 0.466 163 K N -0.484 119.984 120.400 0.113 0.000 2.031 163 K HA -0.059 3.919 4.320 -0.570 0.000 0.205 163 K C 2.097 178.808 176.600 0.184 0.000 1.049 163 K CA 1.113 57.479 56.287 0.132 0.000 0.939 163 K CB -0.356 32.210 32.500 0.109 0.000 0.717 163 K HN 0.526 nan 8.250 nan 0.000 0.438 164 W N 0.896 122.239 121.300 0.070 0.000 2.358 164 W HA -0.224 4.096 4.660 -0.566 0.000 0.303 164 W C 1.695 178.300 176.519 0.144 0.000 1.208 164 W CA 1.505 58.909 57.345 0.100 0.000 1.274 164 W CB -0.529 28.994 29.460 0.104 0.000 1.138 164 W HN 0.139 nan 8.180 nan 0.000 0.515 165 F N 1.725 121.664 119.950 -0.018 0.000 2.126 165 F HA -0.247 3.938 4.527 -0.570 0.000 0.299 165 F C 2.200 177.907 175.800 -0.156 0.000 1.096 165 F CA 2.356 60.246 58.000 -0.182 0.000 1.255 165 F CB -0.367 38.586 39.000 -0.078 0.000 0.997 165 F HN -0.206 nan 8.300 nan 0.000 0.479 166 E N 0.334 120.442 120.200 -0.153 0.000 2.150 166 E HA -0.160 3.847 4.350 -0.570 0.000 0.193 166 E C 1.741 178.192 176.600 -0.249 0.000 0.985 166 E CA 1.358 57.629 56.400 -0.216 0.000 0.814 166 E CB -0.412 29.289 29.700 0.002 0.000 0.752 166 E HN 0.576 nan 8.360 nan 0.000 0.466 167 D N 0.073 120.347 120.400 -0.211 0.000 2.262 167 D HA -0.038 4.260 4.640 -0.570 0.000 0.212 167 D C 0.841 176.994 176.300 -0.245 0.000 0.964 167 D CA 0.402 54.298 54.000 -0.174 0.000 0.875 167 D CB -0.244 40.514 40.800 -0.070 0.000 0.996 167 D HN -0.003 nan 8.370 nan 0.000 0.497 168 T N 1.313 115.608 114.554 -0.433 0.000 2.928 168 T HA -0.024 3.984 4.350 -0.570 0.000 0.305 168 T C 1.425 175.958 174.700 -0.278 0.000 1.035 168 T CA -0.030 61.824 62.100 -0.410 0.000 1.145 168 T CB 0.969 69.301 68.868 -0.894 0.000 0.963 168 T HN 0.188 nan 8.240 nan 0.000 0.545 169 E N 3.267 123.343 120.200 -0.206 0.000 2.268 169 E HA -0.122 3.886 4.350 -0.570 0.000 0.195 169 E C 1.185 177.604 176.600 -0.301 0.000 0.995 169 E CA 0.845 57.078 56.400 -0.280 0.000 0.836 169 E CB -0.254 29.242 29.700 -0.340 0.000 0.763 169 E HN 0.853 nan 8.360 nan 0.000 0.491 170 W N -0.057 121.147 121.300 -0.160 0.000 2.525 170 W HA -0.018 4.306 4.660 -0.560 0.000 0.259 170 W C 0.705 177.036 176.519 -0.315 0.000 1.253 170 W CA 0.407 57.634 57.345 -0.196 0.000 1.262 170 W CB -0.081 29.263 29.460 -0.193 0.000 1.122 170 W HN 0.114 nan 8.180 nan 0.000 0.607 171 Y N -0.338 119.964 120.300 0.002 0.000 2.706 171 Y HA 0.185 4.397 4.550 -0.564 0.000 0.255 171 Y C 1.984 177.610 175.900 -0.456 0.000 1.163 171 Y CA -0.382 57.581 58.100 -0.229 0.000 1.174 171 Y CB -0.169 38.077 38.460 -0.358 0.000 1.200 171 Y HN -0.175 nan 8.280 nan 0.000 0.544 172 K N 0.931 121.240 120.400 -0.151 0.000 2.057 172 K HA -0.213 3.765 4.320 -0.570 0.000 0.207 172 K C 1.809 178.330 176.600 -0.133 0.000 1.049 172 K CA 2.242 58.427 56.287 -0.170 0.000 0.931 172 K CB -0.319 32.098 32.500 -0.139 0.000 0.714 172 K HN 0.504 nan 8.250 nan 0.000 0.440 173 F N -0.108 119.782 119.950 -0.100 0.000 2.161 173 F HA -0.103 4.086 4.527 -0.564 0.000 0.300 173 F C 1.942 177.742 175.800 -0.000 0.000 1.089 173 F CA 0.943 58.895 58.000 -0.080 0.000 1.282 173 F CB -0.773 38.164 39.000 -0.106 0.000 1.010 173 F HN -0.034 nan 8.300 nan 0.000 0.485 174 A N 1.123 123.346 122.820 -0.995 0.000 1.929 174 A HA -0.031 3.947 4.320 -0.570 0.000 0.216 174 A C 2.359 179.846 177.584 -0.161 0.000 1.176 174 A CA 1.079 52.793 52.037 -0.538 0.000 0.628 174 A CB -0.671 18.080 19.000 -0.416 0.000 0.816 174 A HN 0.457 nan 8.150 nan 0.000 0.444 175 R N -0.513 119.872 120.500 -0.193 0.000 2.115 175 R HA -0.057 3.941 4.340 -0.570 0.000 0.230 175 R C 1.962 178.229 176.300 -0.055 0.000 1.111 175 R CA 1.313 57.345 56.100 -0.113 0.000 0.976 175 R CB -0.482 29.690 30.300 -0.213 0.000 0.870 175 R HN 0.398 nan 8.270 nan 0.000 0.445 176 V N 0.261 120.142 119.914 -0.055 0.000 2.307 176 V HA -0.222 3.556 4.120 -0.570 0.000 0.245 176 V C 2.157 178.272 176.094 0.036 0.000 1.045 176 V CA 1.886 64.184 62.300 -0.003 0.000 1.024 176 V CB -0.320 31.503 31.823 -0.000 0.000 0.651 176 V HN 0.264 nan 8.190 nan 0.000 0.449 177 S N -0.931 114.800 115.700 0.052 0.000 2.402 177 S HA -0.164 3.964 4.470 -0.570 0.000 0.229 177 S C 2.117 176.771 174.600 0.090 0.000 1.021 177 S CA 1.402 59.682 58.200 0.133 0.000 0.974 177 S CB -0.317 63.016 63.200 0.222 0.000 0.800 177 S HN 0.523 nan 8.310 nan 0.000 0.484 178 R N 1.420 121.942 120.500 0.036 0.000 2.081 178 R HA -0.092 3.906 4.340 -0.570 0.000 0.235 178 R C 2.333 178.640 176.300 0.012 0.000 1.131 178 R CA 1.479 57.582 56.100 0.005 0.000 0.960 178 R CB -0.253 30.040 30.300 -0.011 0.000 0.856 178 R HN 0.335 nan 8.270 nan 0.000 0.436 179 E N 0.402 120.616 120.200 0.023 0.000 2.077 179 E HA -0.219 3.788 4.350 -0.570 0.000 0.193 179 E C 1.731 178.356 176.600 0.042 0.000 0.989 179 E CA 1.330 57.749 56.400 0.031 0.000 0.800 179 E CB 0.042 29.764 29.700 0.038 0.000 0.746 179 E HN 0.428 nan 8.360 nan 0.000 0.452 180 Q N -0.037 119.795 119.800 0.054 0.000 2.119 180 Q HA -0.081 3.917 4.340 -0.570 0.000 0.201 180 Q C 2.123 178.143 176.000 0.032 0.000 0.972 180 Q CA 1.341 57.179 55.803 0.058 0.000 0.847 180 Q CB -0.335 28.449 28.738 0.077 0.000 0.903 180 Q HN 0.352 nan 8.270 nan 0.000 0.433 181 A N 0.949 123.782 122.820 0.021 0.000 1.930 181 A HA -0.037 3.941 4.320 -0.570 0.000 0.217 181 A C 2.368 179.937 177.584 -0.025 0.000 1.175 181 A CA 1.554 53.579 52.037 -0.021 0.000 0.627 181 A CB -1.013 17.966 19.000 -0.034 0.000 0.815 181 A HN 0.441 nan 8.150 nan 0.000 0.443 182 G N -0.015 108.779 108.800 -0.010 0.000 2.440 182 G HA2 -0.270 3.348 3.960 -0.570 0.000 0.218 182 G HA3 -0.270 3.348 3.960 -0.570 0.000 0.218 182 G C 1.634 176.532 174.900 -0.004 0.000 1.154 182 G CA 1.154 46.248 45.100 -0.009 0.000 0.767 182 G HN 0.587 nan 8.290 nan 0.000 0.552 183 K N 0.512 120.916 120.400 0.008 0.000 2.209 183 K HA 0.075 4.052 4.320 -0.570 0.000 0.204 183 K C 2.472 179.073 176.600 0.001 0.000 1.048 183 K CA 0.849 57.144 56.287 0.014 0.000 0.940 183 K CB -0.081 32.439 32.500 0.034 0.000 0.729 183 K HN 0.295 nan 8.250 nan 0.000 0.451 184 A N 0.517 123.329 122.820 -0.013 0.000 2.278 184 A HA 0.228 4.206 4.320 -0.570 0.000 0.212 184 A C 1.142 178.704 177.584 -0.037 0.000 1.213 184 A CA 0.573 52.593 52.037 -0.029 0.000 0.840 184 A CB -0.311 18.658 19.000 -0.052 0.000 0.866 184 A HN 0.373 nan 8.150 nan 0.000 0.489 185 G N -0.859 107.924 108.800 -0.028 0.000 2.176 185 G HA2 -0.210 3.408 3.960 -0.570 0.000 0.252 185 G HA3 -0.210 3.408 3.960 -0.570 0.000 0.252 185 G C -0.125 174.750 174.900 -0.041 0.000 1.024 185 G CA 0.481 45.564 45.100 -0.029 0.000 0.755 185 G HN 0.485 nan 8.290 nan 0.000 0.507 186 L N -0.026 121.166 121.223 -0.051 0.000 2.334 186 L HA 0.774 4.772 4.340 -0.570 0.000 0.276 186 L C 0.956 177.790 176.870 -0.058 0.000 1.014 186 L CA -0.573 54.226 54.840 -0.067 0.000 0.815 186 L CB 2.012 44.009 42.059 -0.103 0.000 1.268 186 L HN 0.202 nan 8.230 nan 0.000 0.428 187 G N 0.243 109.009 108.800 -0.058 0.000 2.417 187 G HA2 0.638 4.256 3.960 -0.570 0.000 0.334 187 G HA3 0.638 4.256 3.960 -0.570 0.000 0.334 187 G C -0.445 174.405 174.900 -0.084 0.000 1.150 187 G CA -0.301 44.764 45.100 -0.058 0.000 0.923 187 G HN 0.536 nan 8.290 nan 0.000 0.485 188 T N -2.267 112.220 114.554 -0.111 0.000 2.952 188 T HA 0.701 4.709 4.350 -0.570 0.000 0.286 188 T C -0.638 173.942 174.700 -0.199 0.000 1.024 188 T CA -0.940 61.057 62.100 -0.172 0.000 1.029 188 T CB 1.965 70.703 68.868 -0.218 0.000 1.094 188 T HN 0.884 nan 8.240 nan 0.000 0.515 189 V N 1.384 121.161 119.914 -0.229 0.000 2.841 189 V HA 0.617 4.395 4.120 -0.570 0.000 0.310 189 V C -1.464 174.482 176.094 -0.245 0.000 1.090 189 V CA -1.350 60.853 62.300 -0.161 0.000 0.930 189 V CB 1.668 33.496 31.823 0.008 0.000 1.014 189 V HN 0.915 nan 8.190 nan 0.000 0.425 190 F N 4.669 124.561 119.950 -0.096 0.000 2.456 190 F HA 0.450 4.634 4.527 -0.571 0.000 0.358 190 F C 0.403 176.191 175.800 -0.021 0.000 1.095 190 F CA -0.029 57.886 58.000 -0.141 0.000 1.216 190 F CB 1.431 40.323 39.000 -0.180 0.000 1.125 190 F HN 0.230 nan 8.300 nan 0.000 0.549 191 V N 5.769 125.784 119.914 0.168 0.000 2.370 191 V HA 0.284 4.062 4.120 -0.570 0.000 0.279 191 V C -2.017 174.189 176.094 0.187 0.000 1.029 191 V CA -2.010 60.394 62.300 0.174 0.000 0.870 191 V CB 1.092 33.015 31.823 0.167 0.000 0.984 191 V HN 0.545 nan 8.190 nan 0.000 0.451 192 P HA 0.189 nan 4.420 nan 0.000 0.271 192 P C -0.456 176.922 177.300 0.130 0.000 1.233 192 P CA -0.108 63.009 63.100 0.027 0.000 0.789 192 P CB 0.562 32.178 31.700 -0.139 0.000 0.951 193 N N -0.344 118.452 118.700 0.159 0.000 2.610 193 N HA 0.183 4.580 4.740 -0.570 0.000 0.264 193 N C 0.081 175.623 175.510 0.053 0.000 1.348 193 N CA -0.450 52.677 53.050 0.129 0.000 0.819 193 N CB 2.006 40.554 38.487 0.100 0.000 1.521 193 N HN 0.090 nan 8.380 nan 0.000 0.497 194 V N -0.413 119.566 119.914 0.109 0.000 3.647 194 V HA 0.300 4.078 4.120 -0.570 0.000 0.279 194 V C 0.519 176.583 176.094 -0.050 0.000 1.314 194 V CA 0.210 62.545 62.300 0.059 0.000 1.125 194 V CB -1.095 30.800 31.823 0.121 0.000 0.907 194 V HN 0.552 nan 8.190 nan 0.000 0.434 195 Y N 2.333 122.496 120.300 -0.228 0.000 2.377 195 Y HA 0.368 4.579 4.550 -0.565 0.000 0.330 195 Y C 0.558 176.198 175.900 -0.434 0.000 1.108 195 Y CA -0.774 57.146 58.100 -0.300 0.000 1.308 195 Y CB 0.607 38.880 38.460 -0.312 0.000 1.216 195 Y HN 0.230 nan 8.280 nan 0.000 0.518 196 D N 5.564 125.739 120.400 -0.375 0.000 2.349 196 D HA -0.075 4.222 4.640 -0.570 0.000 0.266 196 D C 0.446 176.791 176.300 0.075 0.000 1.293 196 D CA 0.480 54.390 54.000 -0.151 0.000 0.926 196 D CB 0.058 40.764 40.800 -0.156 0.000 1.090 196 D HN 0.582 nan 8.370 nan 0.000 0.502 197 F N 2.123 122.192 119.950 0.199 0.000 2.293 197 F HA 0.044 4.227 4.527 -0.574 0.000 0.300 197 F C 2.486 178.277 175.800 -0.016 0.000 1.086 197 F CA 0.835 58.925 58.000 0.149 0.000 1.375 197 F CB -0.410 38.662 39.000 0.119 0.000 1.045 197 F HN 0.501 nan 8.300 nan 0.000 0.516 198 G N -1.533 107.364 108.800 0.160 0.000 2.402 198 G HA2 -0.321 3.297 3.960 -0.570 0.000 0.216 198 G HA3 -0.321 3.297 3.960 -0.570 0.000 0.216 198 G C 1.630 176.524 174.900 -0.011 0.000 1.162 198 G CA 0.566 45.680 45.100 0.022 0.000 0.777 198 G HN 0.407 nan 8.290 nan 0.000 0.539 199 Y N 0.470 120.747 120.300 -0.040 0.000 2.224 199 Y HA -0.002 4.204 4.550 -0.572 0.000 0.289 199 Y C 2.757 178.649 175.900 -0.013 0.000 1.146 199 Y CA 1.878 59.950 58.100 -0.047 0.000 1.182 199 Y CB -0.059 38.352 38.460 -0.082 0.000 0.983 199 Y HN 0.187 nan 8.280 nan 0.000 0.524 200 M N -0.201 119.539 119.600 0.232 0.000 2.159 200 M HA -0.290 3.847 4.480 -0.570 0.000 0.263 200 M C 1.989 178.153 176.300 -0.227 0.000 1.063 200 M CA 1.838 57.227 55.300 0.148 0.000 1.110 200 M CB -0.090 32.703 32.600 0.322 0.000 1.374 200 M HN 0.389 nan 8.290 nan 0.000 0.411 201 Q N -0.410 119.081 119.800 -0.514 0.000 2.119 201 Q HA -0.182 3.816 4.340 -0.570 0.000 0.201 201 Q C 1.966 177.774 176.000 -0.319 0.000 0.972 201 Q CA 1.439 56.797 55.803 -0.742 0.000 0.847 201 Q CB -0.080 28.168 28.738 -0.817 0.000 0.903 201 Q HN 0.517 nan 8.270 nan 0.000 0.433 202 R N 0.551 120.870 120.500 -0.301 0.000 2.148 202 R HA -0.099 3.899 4.340 -0.570 0.000 0.227 202 R C 1.914 178.051 176.300 -0.272 0.000 1.103 202 R CA 0.982 56.916 56.100 -0.277 0.000 0.983 202 R CB 0.088 30.175 30.300 -0.354 0.000 0.874 202 R HN 0.314 nan 8.270 nan 0.000 0.451 203 E N 0.075 120.098 120.200 -0.295 0.000 2.046 203 E HA -0.116 3.892 4.350 -0.570 0.000 0.190 203 E C 2.014 178.536 176.600 -0.130 0.000 0.982 203 E CA 1.048 57.312 56.400 -0.228 0.000 0.800 203 E CB -0.075 29.516 29.700 -0.182 0.000 0.756 203 E HN 0.360 nan 8.360 nan 0.000 0.449 204 A N 1.252 124.037 122.820 -0.059 0.000 1.972 204 A HA -0.075 3.903 4.320 -0.570 0.000 0.219 204 A C 2.223 179.914 177.584 0.178 0.000 1.169 204 A CA 1.563 53.684 52.037 0.140 0.000 0.635 204 A CB -0.360 18.918 19.000 0.462 0.000 0.810 204 A HN 0.264 nan 8.150 nan 0.000 0.446 205 A N -1.679 121.189 122.820 0.080 0.000 2.251 205 A HA 0.423 4.401 4.320 -0.570 0.000 0.209 205 A C 1.717 179.314 177.584 0.021 0.000 1.187 205 A CA 1.072 53.147 52.037 0.063 0.000 0.823 205 A CB -0.979 18.035 19.000 0.023 0.000 0.846 205 A HN 1.848 nan 8.150 nan 0.000 0.486 206 G N -0.198 108.599 108.800 -0.005 0.000 2.198 206 G HA2 -0.296 3.322 3.960 -0.570 0.000 0.260 206 G HA3 -0.296 3.322 3.960 -0.570 0.000 0.260 206 G C 0.429 175.296 174.900 -0.054 0.000 1.025 206 G CA 0.768 45.854 45.100 -0.023 0.000 0.769 206 G HN 0.653 nan 8.290 nan 0.000 0.507 207 E N -1.312 118.831 120.200 -0.094 0.000 2.340 207 E HA 0.289 4.296 4.350 -0.570 0.000 0.194 207 E C 1.174 177.685 176.600 -0.149 0.000 0.996 207 E CA 0.954 57.290 56.400 -0.107 0.000 0.869 207 E CB 0.548 30.182 29.700 -0.110 0.000 0.835 207 E HN 0.928 nan 8.360 nan 0.000 0.493 208 V N -1.471 118.309 119.914 -0.224 0.000 3.007 208 V HA 0.465 4.243 4.120 -0.570 0.000 0.311 208 V C -2.832 173.123 176.094 -0.231 0.000 1.120 208 V CA -2.955 59.182 62.300 -0.271 0.000 0.980 208 V CB 1.659 33.158 31.823 -0.539 0.000 1.033 208 V HN -0.180 nan 8.190 nan 0.000 0.429 209 P HA 0.163 nan 4.420 nan 0.000 0.264 209 P C -0.568 176.677 177.300 -0.092 0.000 1.193 209 P CA 0.198 63.186 63.100 -0.185 0.000 0.763 209 P CB 0.366 31.864 31.700 -0.336 0.000 0.810 210 K N 1.382 121.783 120.400 0.002 0.000 2.202 210 K HA 0.291 4.269 4.320 -0.570 0.000 0.264 210 K C 0.919 177.643 176.600 0.206 0.000 1.010 210 K CA -0.288 56.038 56.287 0.066 0.000 0.940 210 K CB 0.802 33.281 32.500 -0.035 0.000 0.983 210 K HN 0.402 nan 8.250 nan 0.000 0.475 211 S N 0.285 116.119 115.700 0.223 0.000 4.198 211 S HA 0.097 4.224 4.470 -0.570 0.000 0.202 211 S C 1.532 176.197 174.600 0.109 0.000 1.124 211 S CA 0.433 58.776 58.200 0.237 0.000 1.050 211 S CB -0.409 63.001 63.200 0.349 0.000 1.401 211 S HN 0.608 nan 8.310 nan 0.000 0.589 212 A N 1.640 124.518 122.820 0.095 0.000 1.972 212 A HA 0.234 4.212 4.320 -0.570 0.000 0.219 212 A C 1.560 179.013 177.584 -0.219 0.000 1.169 212 A CA 1.150 53.081 52.037 -0.176 0.000 0.635 212 A CB -0.673 17.965 19.000 -0.604 0.000 0.810 212 A HN 0.561 nan 8.150 nan 0.000 0.446 213 L N -1.452 119.592 121.223 -0.298 0.000 2.685 213 L HA 0.277 4.275 4.340 -0.570 0.000 0.233 213 L C 1.253 177.919 176.870 -0.341 0.000 1.173 213 L CA 0.436 54.883 54.840 -0.656 0.000 0.961 213 L CB 0.045 41.383 42.059 -1.200 0.000 1.217 213 L HN 0.365 nan 8.230 nan 0.000 0.478 214 A N -0.826 121.924 122.820 -0.116 0.000 2.643 214 A HA 0.315 4.293 4.320 -0.570 0.000 0.295 214 A C 0.808 178.402 177.584 0.017 0.000 1.065 214 A CA -0.194 51.836 52.037 -0.012 0.000 0.986 214 A CB -0.031 18.987 19.000 0.030 0.000 1.212 214 A HN 0.252 nan 8.150 nan 0.000 0.516 215 T N 0.756 115.309 114.554 -0.002 0.000 3.803 215 T HA -0.158 3.850 4.350 -0.570 0.000 0.376 215 T C -0.344 174.353 174.700 -0.006 0.000 0.761 215 T CA 1.713 63.809 62.100 -0.007 0.000 1.962 215 T CB -1.725 67.150 68.868 0.012 0.000 1.780 215 T HN 0.761 nan 8.240 nan 0.000 0.771 216 E N -0.956 119.233 120.200 -0.018 0.000 2.248 216 E HA 0.699 4.707 4.350 -0.570 0.000 0.267 216 E C 0.314 176.873 176.600 -0.068 0.000 0.877 216 E CA -0.687 55.703 56.400 -0.016 0.000 0.759 216 E CB 2.765 32.488 29.700 0.039 0.000 1.182 216 E HN 0.113 nan 8.360 nan 0.000 0.418 217 V N 3.205 123.039 119.914 -0.134 0.000 5.311 217 V HA -0.025 3.752 4.120 -0.570 0.000 0.119 217 V C 0.729 176.669 176.094 -0.256 0.000 1.232 217 V CA 0.126 62.328 62.300 -0.164 0.000 0.820 217 V CB -0.527 31.221 31.823 -0.126 0.000 0.965 217 V HN 0.743 nan 8.190 nan 0.000 0.675 218 I N 0.446 120.801 120.570 -0.359 0.000 2.614 218 I HA -0.130 3.698 4.170 -0.570 0.000 0.258 218 I C 1.139 176.993 176.117 -0.439 0.000 1.189 218 I CA 1.853 62.876 61.300 -0.461 0.000 1.462 218 I CB 0.174 37.834 38.000 -0.566 0.000 1.092 218 I HN 0.653 nan 8.210 nan 0.000 0.442 219 Y N 0.566 120.761 120.300 -0.174 0.000 2.636 219 Y HA 0.529 4.737 4.550 -0.570 0.000 0.260 219 Y C 0.783 176.408 175.900 -0.459 0.000 1.177 219 Y CA -0.219 57.756 58.100 -0.208 0.000 1.209 219 Y CB -0.090 38.323 38.460 -0.079 0.000 1.166 219 Y HN 0.094 nan 8.280 nan 0.000 0.531 220 G N 0.740 109.227 108.800 -0.521 0.000 2.570 220 G HA2 -0.152 3.466 3.960 -0.570 0.000 0.686 220 G HA3 -0.152 3.466 3.960 -0.570 0.000 0.686 220 G C -1.235 173.289 174.900 -0.627 0.000 1.257 220 G CA -1.244 43.182 45.100 -1.123 0.000 0.846 220 G HN 0.245 nan 8.290 nan 0.000 0.627 221 N N 0.639 119.020 118.700 -0.532 0.000 2.407 221 N HA 0.400 4.798 4.740 -0.570 0.000 0.277 221 N C 1.014 176.539 175.510 0.025 0.000 0.995 221 N CA -1.005 51.974 53.050 -0.119 0.000 0.903 221 N CB 1.275 39.748 38.487 -0.024 0.000 1.218 221 N HN 0.472 nan 8.380 nan 0.000 0.487 222 N N 1.116 119.852 118.700 0.061 0.000 2.453 222 N HA -0.059 4.339 4.740 -0.570 0.000 0.183 222 N C -0.469 174.665 175.510 -0.627 0.000 1.041 222 N CA 1.123 54.074 53.050 -0.164 0.000 0.900 222 N CB 0.068 38.410 38.487 -0.242 0.000 0.961 222 N HN 0.603 nan 8.380 nan 0.000 0.443 223 H N -3.043 116.007 119.070 -0.034 0.000 3.017 223 H HA 0.306 4.518 4.556 -0.572 0.000 0.346 223 H C 1.031 176.036 175.328 -0.538 0.000 1.286 223 H CA 0.034 55.919 56.048 -0.271 0.000 1.120 223 H CB 1.484 31.125 29.762 -0.203 0.000 1.860 223 H HN 0.055 nan 8.280 nan 0.000 0.542 224 G N 1.024 109.288 108.800 -0.893 0.000 2.674 224 G HA2 -0.336 3.282 3.960 -0.570 0.000 0.236 224 G HA3 -0.336 3.282 3.960 -0.570 0.000 0.236 224 G C 0.581 174.748 174.900 -1.221 0.000 1.178 224 G CA 0.894 45.200 45.100 -1.324 0.000 0.721 224 G HN 0.571 nan 8.290 nan 0.000 0.515 225 K N 1.483 121.389 120.400 -0.824 0.000 2.349 225 K HA 0.343 4.321 4.320 -0.570 0.000 0.288 225 K C 0.078 176.514 176.600 -0.273 0.000 1.058 225 K CA -0.217 55.819 56.287 -0.418 0.000 0.953 225 K CB 0.307 32.743 32.500 -0.106 0.000 0.997 225 K HN 0.120 nan 8.250 nan 0.000 0.477 226 Q N 2.817 122.488 119.800 -0.215 0.000 2.837 226 Q HA 0.056 4.054 4.340 -0.570 0.000 0.235 226 Q C -0.277 175.656 176.000 -0.112 0.000 1.348 226 Q CA -0.035 55.679 55.803 -0.148 0.000 0.990 226 Q CB 0.356 29.023 28.738 -0.118 0.000 1.570 226 Q HN 0.670 nan 8.270 nan 0.000 0.575 227 S N -0.398 115.229 115.700 -0.121 0.000 2.624 227 S HA 0.278 4.406 4.470 -0.570 0.000 0.263 227 S C 1.511 176.031 174.600 -0.134 0.000 1.287 227 S CA -0.722 57.394 58.200 -0.140 0.000 0.990 227 S CB 0.929 64.051 63.200 -0.130 0.000 0.950 227 S HN 0.561 nan 8.310 nan 0.000 0.561 228 L N 0.802 121.901 121.223 -0.207 0.000 2.129 228 L HA -0.177 3.820 4.340 -0.570 0.000 0.212 228 L C 2.265 179.087 176.870 -0.080 0.000 1.087 228 L CA 1.734 56.472 54.840 -0.171 0.000 0.757 228 L CB -0.979 40.878 42.059 -0.336 0.000 0.896 228 L HN 0.809 nan 8.230 nan 0.000 0.434 229 D N -0.069 120.291 120.400 -0.066 0.000 2.263 229 D HA -0.203 4.094 4.640 -0.570 0.000 0.208 229 D C 1.778 178.061 176.300 -0.028 0.000 0.971 229 D CA 1.196 55.180 54.000 -0.026 0.000 0.867 229 D CB -0.149 40.659 40.800 0.014 0.000 0.929 229 D HN 0.255 nan 8.370 nan 0.000 0.492 230 K N -0.461 119.913 120.400 -0.044 0.000 2.284 230 K HA 0.079 4.056 4.320 -0.570 0.000 0.198 230 K C 1.892 178.457 176.600 -0.060 0.000 1.048 230 K CA 1.122 57.378 56.287 -0.052 0.000 0.987 230 K CB 0.439 32.898 32.500 -0.069 0.000 0.800 230 K HN 0.374 nan 8.250 nan 0.000 0.486 231 T N -2.220 112.301 114.554 -0.055 0.000 3.364 231 T HA 0.037 4.045 4.350 -0.570 0.000 0.190 231 T C 1.611 176.262 174.700 -0.082 0.000 0.798 231 T CA -0.018 62.032 62.100 -0.082 0.000 1.773 231 T CB -0.918 67.906 68.868 -0.073 0.000 2.078 231 T HN -0.040 nan 8.240 nan 0.000 0.437 232 Y N 1.886 122.140 120.300 -0.077 0.000 2.114 232 Y HA 0.003 4.211 4.550 -0.571 0.000 0.282 232 Y C 2.601 178.453 175.900 -0.080 0.000 1.165 232 Y CA 1.510 59.565 58.100 -0.074 0.000 1.148 232 Y CB -0.648 37.761 38.460 -0.085 0.000 0.972 232 Y HN 0.182 nan 8.280 nan 0.000 0.504 233 L N -1.235 120.035 121.223 0.078 0.000 2.141 233 L HA -0.203 3.795 4.340 -0.570 0.000 0.209 233 L C 2.631 179.495 176.870 -0.009 0.000 1.094 233 L CA 0.866 55.713 54.840 0.011 0.000 0.763 233 L CB -0.800 41.247 42.059 -0.019 0.000 0.908 233 L HN 0.228 nan 8.230 nan 0.000 0.437 234 A N 0.193 123.001 122.820 -0.019 0.000 1.898 234 A HA -0.109 3.868 4.320 -0.570 0.000 0.216 234 A C 2.546 180.109 177.584 -0.035 0.000 1.181 234 A CA 1.589 53.608 52.037 -0.030 0.000 0.620 234 A CB -0.583 18.394 19.000 -0.039 0.000 0.819 234 A HN 0.372 nan 8.150 nan 0.000 0.442 235 A N -0.142 122.652 122.820 -0.044 0.000 1.930 235 A HA 0.209 4.187 4.320 -0.570 0.000 0.217 235 A C 2.487 180.051 177.584 -0.032 0.000 1.175 235 A CA 1.924 53.931 52.037 -0.050 0.000 0.627 235 A CB -0.956 17.994 19.000 -0.084 0.000 0.815 235 A HN 0.991 nan 8.150 nan 0.000 0.443 236 A N -0.106 122.704 122.820 -0.016 0.000 1.877 236 A HA -0.060 3.918 4.320 -0.570 0.000 0.216 236 A C 2.130 179.696 177.584 -0.030 0.000 1.186 236 A CA 1.533 53.558 52.037 -0.020 0.000 0.620 236 A CB -0.643 18.348 19.000 -0.016 0.000 0.822 236 A HN 0.467 nan 8.150 nan 0.000 0.443 237 L N -0.659 120.547 121.223 -0.028 0.000 2.201 237 L HA -0.086 3.912 4.340 -0.570 0.000 0.212 237 L C 2.639 179.492 176.870 -0.028 0.000 1.105 237 L CA 0.798 55.620 54.840 -0.030 0.000 0.775 237 L CB -0.557 41.485 42.059 -0.028 0.000 0.913 237 L HN 0.499 nan 8.230 nan 0.000 0.440 238 G N -0.588 108.195 108.800 -0.029 0.000 2.534 238 G HA2 -0.210 3.408 3.960 -0.570 0.000 0.217 238 G HA3 -0.210 3.408 3.960 -0.570 0.000 0.217 238 G C 1.656 176.539 174.900 -0.027 0.000 1.128 238 G CA 1.035 46.118 45.100 -0.028 0.000 0.784 238 G HN 0.454 nan 8.290 nan 0.000 0.542 239 T N -2.708 111.829 114.554 -0.028 0.000 3.055 239 T HA 0.290 4.298 4.350 -0.570 0.000 0.265 239 T C 2.098 176.784 174.700 -0.024 0.000 1.111 239 T CA 1.070 63.153 62.100 -0.027 0.000 1.118 239 T CB -0.151 68.699 68.868 -0.031 0.000 0.909 239 T HN 1.246 nan 8.240 nan 0.000 0.501 240 G N 1.449 110.235 108.800 -0.024 0.000 2.184 240 G HA2 -0.248 3.370 3.960 -0.570 0.000 0.264 240 G HA3 -0.248 3.370 3.960 -0.570 0.000 0.264 240 G C 0.858 175.745 174.900 -0.021 0.000 0.975 240 G CA 0.425 45.513 45.100 -0.020 0.000 0.642 240 G HN 0.526 nan 8.290 nan 0.000 0.536 241 K N -0.442 119.943 120.400 -0.025 0.000 2.374 241 K HA 0.418 4.396 4.320 -0.570 0.000 0.202 241 K C 0.555 177.134 176.600 -0.035 0.000 1.040 241 K CA 0.284 56.555 56.287 -0.026 0.000 1.085 241 K CB 1.475 33.959 32.500 -0.027 0.000 0.873 241 K HN 0.359 nan 8.250 nan 0.000 0.539 242 V N 1.499 121.389 119.914 -0.039 0.000 2.555 242 V HA 0.406 4.184 4.120 -0.570 0.000 0.302 242 V C -0.173 175.895 176.094 -0.044 0.000 1.038 242 V CA -0.588 61.684 62.300 -0.047 0.000 0.887 242 V CB 1.993 33.785 31.823 -0.052 0.000 0.991 242 V HN 0.007 nan 8.190 nan 0.000 0.434 243 T N 5.258 119.782 114.554 -0.050 0.000 2.893 243 T HA 0.687 4.694 4.350 -0.570 0.000 0.293 243 T C -0.644 174.018 174.700 -0.063 0.000 1.027 243 T CA -0.293 61.776 62.100 -0.053 0.000 0.988 243 T CB 1.552 70.387 68.868 -0.054 0.000 1.043 243 T HN 0.407 nan 8.240 nan 0.000 0.461 244 I N 2.592 123.124 120.570 -0.063 0.000 2.406 244 I HA 0.369 4.197 4.170 -0.570 0.000 0.290 244 I C -0.154 175.908 176.117 -0.092 0.000 0.999 244 I CA -0.744 60.515 61.300 -0.069 0.000 1.124 244 I CB 1.925 39.896 38.000 -0.048 0.000 1.289 244 I HN 0.387 nan 8.210 nan 0.000 0.441 245 Q N 4.789 124.504 119.800 -0.141 0.000 2.333 245 Q HA 0.389 4.386 4.340 -0.570 0.000 0.265 245 Q C -0.271 175.658 176.000 -0.119 0.000 0.989 245 Q CA -0.660 55.003 55.803 -0.235 0.000 0.842 245 Q CB 2.401 30.805 28.738 -0.557 0.000 1.262 245 Q HN 0.742 nan 8.270 nan 0.000 0.451 246 T N -1.193 113.370 114.554 0.015 0.000 2.912 246 T HA 0.470 4.478 4.350 -0.570 0.000 0.280 246 T C 0.669 175.528 174.700 0.265 0.000 0.989 246 T CA -0.732 61.431 62.100 0.107 0.000 0.995 246 T CB 0.575 69.464 68.868 0.034 0.000 1.077 246 T HN 0.730 nan 8.240 nan 0.000 0.531 247 L N -0.123 121.212 121.223 0.186 0.000 3.843 247 L HA -0.167 3.831 4.340 -0.570 0.000 0.411 247 L C -0.760 176.172 176.870 0.104 0.000 1.205 247 L CA 0.464 55.397 54.840 0.155 0.000 0.945 247 L CB -2.139 39.963 42.059 0.070 0.000 1.929 247 L HN 0.812 nan 8.230 nan 0.000 0.934 248 H N -0.215 118.888 119.070 0.055 0.000 2.762 248 H HA 0.459 4.673 4.556 -0.571 0.000 0.310 248 H C -0.002 175.352 175.328 0.044 0.000 1.004 248 H CA -0.198 55.874 56.048 0.039 0.000 1.267 248 H CB 1.357 31.131 29.762 0.021 0.000 1.437 248 H HN 0.196 nan 8.280 nan 0.000 0.498 249 Q N 3.554 123.418 119.800 0.107 0.000 2.314 249 Q HA 0.408 4.406 4.340 -0.570 0.000 0.259 249 Q C -0.934 175.103 176.000 0.061 0.000 0.951 249 Q CA -0.936 54.917 55.803 0.084 0.000 0.909 249 Q CB 1.121 29.909 28.738 0.083 0.000 1.236 249 Q HN 0.420 nan 8.270 nan 0.000 0.444 250 V N 5.480 125.424 119.914 0.050 0.000 2.508 250 V HA 0.051 3.829 4.120 -0.570 0.000 0.281 250 V C 0.829 176.935 176.094 0.019 0.000 1.041 250 V CA 0.060 62.380 62.300 0.033 0.000 1.016 250 V CB 1.122 32.956 31.823 0.019 0.000 0.984 250 V HN 0.838 nan 8.190 nan 0.000 0.478 251 K N 2.292 122.702 120.400 0.016 0.000 2.240 251 K HA 0.169 4.147 4.320 -0.570 0.000 0.202 251 K C 0.823 177.423 176.600 0.000 0.000 1.053 251 K CA 0.922 57.217 56.287 0.013 0.000 0.973 251 K CB 0.620 33.129 32.500 0.016 0.000 0.924 251 K HN 0.852 nan 8.250 nan 0.000 0.477 252 T N -1.392 113.159 114.554 -0.004 0.000 2.896 252 T HA 0.713 4.721 4.350 -0.570 0.000 0.297 252 T C -0.321 174.366 174.700 -0.022 0.000 1.108 252 T CA -0.822 61.266 62.100 -0.020 0.000 1.004 252 T CB 1.889 70.748 68.868 -0.015 0.000 1.159 252 T HN -0.066 nan 8.240 nan 0.000 0.499 253 I N 1.792 122.337 120.570 -0.042 0.000 2.582 253 I HA 0.672 4.500 4.170 -0.570 0.000 0.292 253 I C -0.191 175.909 176.117 -0.028 0.000 1.066 253 I CA -1.102 60.176 61.300 -0.037 0.000 1.053 253 I CB 2.286 40.232 38.000 -0.091 0.000 1.241 253 I HN 0.894 nan 8.210 nan 0.000 0.421 254 R N 4.169 124.682 120.500 0.021 0.000 2.764 254 R HA 0.560 4.558 4.340 -0.570 0.000 0.270 254 R C -1.574 174.754 176.300 0.047 0.000 1.014 254 R CA -0.988 55.120 56.100 0.014 0.000 0.904 254 R CB 1.963 32.263 30.300 -0.001 0.000 1.236 254 R HN 0.574 nan 8.270 nan 0.000 0.466 255 Q N 1.714 121.502 119.800 -0.020 0.000 2.271 255 Q HA 0.245 4.243 4.340 -0.570 0.000 0.258 255 Q C -0.495 175.426 176.000 -0.131 0.000 0.936 255 Q CA -0.653 55.049 55.803 -0.169 0.000 0.909 255 Q CB 1.699 30.355 28.738 -0.136 0.000 1.253 255 Q HN 0.767 nan 8.270 nan 0.000 0.440 256 T N 0.622 115.070 114.554 -0.177 0.000 2.748 256 T HA 0.137 4.145 4.350 -0.570 0.000 0.304 256 T C 0.894 175.532 174.700 -0.103 0.000 1.041 256 T CA -0.313 61.722 62.100 -0.109 0.000 1.033 256 T CB 0.711 69.518 68.868 -0.101 0.000 0.995 256 T HN 0.700 nan 8.240 nan 0.000 0.536 257 K N 0.592 120.949 120.400 -0.071 0.000 2.147 257 K HA -0.103 3.875 4.320 -0.570 0.000 0.205 257 K C 1.688 178.245 176.600 -0.071 0.000 1.049 257 K CA 1.641 57.892 56.287 -0.060 0.000 0.936 257 K CB -0.146 32.327 32.500 -0.045 0.000 0.722 257 K HN 0.801 nan 8.250 nan 0.000 0.446 258 D N -1.157 119.191 120.400 -0.087 0.000 2.328 258 D HA 0.019 4.316 4.640 -0.570 0.000 0.221 258 D C 0.959 177.188 176.300 -0.118 0.000 1.072 258 D CA 0.738 54.684 54.000 -0.091 0.000 0.850 258 D CB 0.646 41.394 40.800 -0.086 0.000 0.922 258 D HN 0.287 nan 8.370 nan 0.000 0.516 259 G N 0.058 108.762 108.800 -0.159 0.000 2.176 259 G HA2 -0.194 3.424 3.960 -0.570 0.000 0.232 259 G HA3 -0.194 3.424 3.960 -0.570 0.000 0.232 259 G C 0.646 175.312 174.900 -0.390 0.000 0.986 259 G CA -0.063 44.904 45.100 -0.222 0.000 0.643 259 G HN 0.739 nan 8.290 nan 0.000 0.522 260 G N -1.001 107.598 108.800 -0.335 0.000 2.563 260 G HA2 0.589 4.207 3.960 -0.570 0.000 0.283 260 G HA3 0.589 4.207 3.960 -0.570 0.000 0.283 260 G C -0.633 173.907 174.900 -0.601 0.000 1.309 260 G CA -0.725 44.170 45.100 -0.342 0.000 1.022 260 G HN 0.332 nan 8.290 nan 0.000 0.501 261 Y N -1.137 119.150 120.300 -0.022 0.000 2.446 261 Y HA 0.617 4.825 4.550 -0.570 0.000 0.345 261 Y C 0.448 176.341 175.900 -0.012 0.000 0.984 261 Y CA -0.586 57.490 58.100 -0.041 0.000 1.058 261 Y CB 2.448 40.863 38.460 -0.074 0.000 1.220 261 Y HN 0.698 nan 8.280 nan 0.000 0.455 262 A N 3.813 126.704 122.820 0.119 0.000 2.371 262 A HA 0.905 4.883 4.320 -0.570 0.000 0.311 262 A C -1.602 176.020 177.584 0.063 0.000 1.068 262 A CA -0.694 51.388 52.037 0.075 0.000 0.744 262 A CB 0.881 19.905 19.000 0.039 0.000 1.239 262 A HN 0.735 nan 8.150 nan 0.000 0.435 263 L N 1.364 122.618 121.223 0.051 0.000 2.381 263 L HA 0.682 4.680 4.340 -0.570 0.000 0.268 263 L C 0.183 177.072 176.870 0.033 0.000 0.997 263 L CA -0.815 54.046 54.840 0.035 0.000 0.818 263 L CB 2.505 44.584 42.059 0.032 0.000 1.310 263 L HN 0.795 nan 8.230 nan 0.000 0.416 264 T N -0.432 114.136 114.554 0.025 0.000 2.767 264 T HA 0.718 4.725 4.350 -0.570 0.000 0.284 264 T C -0.416 174.302 174.700 0.030 0.000 0.973 264 T CA -0.664 61.451 62.100 0.025 0.000 0.996 264 T CB 1.455 70.332 68.868 0.016 0.000 0.927 264 T HN 0.249 nan 8.240 nan 0.000 0.456 265 V N 2.992 122.930 119.914 0.040 0.000 2.656 265 V HA 0.479 4.257 4.120 -0.570 0.000 0.307 265 V C -0.182 175.921 176.094 0.016 0.000 1.051 265 V CA -0.982 61.349 62.300 0.052 0.000 0.893 265 V CB 1.899 33.792 31.823 0.117 0.000 0.999 265 V HN 0.956 nan 8.190 nan 0.000 0.426 266 E N 2.817 123.010 120.200 -0.011 0.000 2.134 266 E HA 0.366 4.373 4.350 -0.570 0.000 0.278 266 E C -0.727 175.780 176.600 -0.156 0.000 0.959 266 E CA -0.384 55.979 56.400 -0.061 0.000 0.783 266 E CB 2.045 31.722 29.700 -0.039 0.000 1.095 266 E HN 0.650 nan 8.360 nan 0.000 0.399 267 Q N 3.763 123.416 119.800 -0.245 0.000 2.278 267 Q HA 0.272 4.270 4.340 -0.570 0.000 0.257 267 Q C -1.008 174.869 176.000 -0.204 0.000 0.928 267 Q CA -0.301 55.248 55.803 -0.422 0.000 0.932 267 Q CB 0.823 29.233 28.738 -0.546 0.000 1.221 267 Q HN 0.360 nan 8.270 nan 0.000 0.434 268 K N 2.049 122.358 120.400 -0.151 0.000 2.395 268 K HA 0.330 4.308 4.320 -0.570 0.000 0.245 268 K C -1.134 175.434 176.600 -0.053 0.000 1.017 268 K CA -0.924 55.314 56.287 -0.082 0.000 0.852 268 K CB 1.242 33.704 32.500 -0.063 0.000 1.311 268 K HN 0.727 nan 8.250 nan 0.000 0.452 269 D N -1.256 119.123 120.400 -0.034 0.000 2.478 269 D HA 0.027 4.325 4.640 -0.570 0.000 0.263 269 D C 0.942 177.230 176.300 -0.020 0.000 1.153 269 D CA -0.514 53.471 54.000 -0.024 0.000 1.038 269 D CB 0.233 41.025 40.800 -0.015 0.000 1.120 269 D HN 0.575 nan 8.370 nan 0.000 0.564 270 T N -3.545 110.975 114.554 -0.057 0.000 2.977 270 T HA -0.131 3.877 4.350 -0.570 0.000 0.271 270 T C 0.618 175.263 174.700 -0.093 0.000 1.105 270 T CA 0.916 62.907 62.100 -0.181 0.000 1.116 270 T CB -0.303 68.442 68.868 -0.205 0.000 0.878 270 T HN 0.327 nan 8.240 nan 0.000 0.509 271 D N 0.964 121.405 120.400 0.068 0.000 2.350 271 D HA 0.237 4.535 4.640 -0.570 0.000 0.213 271 D C 1.705 178.153 176.300 0.247 0.000 1.031 271 D CA 0.826 54.921 54.000 0.158 0.000 0.861 271 D CB 0.133 40.993 40.800 0.100 0.000 0.926 271 D HN 0.631 nan 8.370 nan 0.000 0.520 272 G N 0.290 109.186 108.800 0.160 0.000 2.157 272 G HA2 -0.234 3.384 3.960 -0.570 0.000 0.239 272 G HA3 -0.234 3.384 3.960 -0.570 0.000 0.239 272 G C 0.597 175.421 174.900 -0.127 0.000 0.982 272 G CA 0.343 45.372 45.100 -0.119 0.000 0.650 272 G HN 0.649 nan 8.290 nan 0.000 0.527 273 K N 0.192 120.562 120.400 -0.051 0.000 2.322 273 K HA 0.766 4.743 4.320 -0.570 0.000 0.283 273 K C 0.363 176.926 176.600 -0.061 0.000 1.042 273 K CA -0.112 56.143 56.287 -0.052 0.000 0.958 273 K CB 0.997 33.481 32.500 -0.026 0.000 0.984 273 K HN 1.236 nan 8.250 nan 0.000 0.473 274 L N 3.923 125.107 121.223 -0.064 0.000 2.433 274 L HA 0.184 4.181 4.340 -0.570 0.000 0.275 274 L C 0.968 177.806 176.870 -0.053 0.000 1.128 274 L CA 0.049 54.850 54.840 -0.064 0.000 0.875 274 L CB -0.032 41.993 42.059 -0.057 0.000 1.171 274 L HN 0.799 nan 8.230 nan 0.000 0.463 275 L N 4.953 126.139 121.223 -0.063 0.000 2.253 275 L HA 0.436 4.434 4.340 -0.570 0.000 0.205 275 L C 0.765 177.606 176.870 -0.047 0.000 1.078 275 L CA 0.589 55.398 54.840 -0.052 0.000 0.805 275 L CB -0.293 41.731 42.059 -0.058 0.000 0.963 275 L HN 0.805 nan 8.230 nan 0.000 0.459 276 A N -1.143 121.640 122.820 -0.061 0.000 2.583 276 A HA 0.589 4.567 4.320 -0.570 0.000 0.292 276 A C -0.974 176.581 177.584 -0.049 0.000 1.045 276 A CA -0.428 51.583 52.037 -0.044 0.000 0.672 276 A CB 1.003 19.985 19.000 -0.030 0.000 1.283 276 A HN -0.116 nan 8.150 nan 0.000 0.419 277 T N 2.113 116.653 114.554 -0.024 0.000 2.791 277 T HA 0.519 4.527 4.350 -0.570 0.000 0.288 277 T C -0.342 174.361 174.700 0.006 0.000 0.999 277 T CA -0.280 61.812 62.100 -0.014 0.000 0.952 277 T CB 0.776 69.638 68.868 -0.009 0.000 0.938 277 T HN 0.579 nan 8.240 nan 0.000 0.444 278 K N 1.954 122.367 120.400 0.022 0.000 2.185 278 K HA 0.555 4.533 4.320 -0.570 0.000 0.240 278 K C -0.317 176.309 176.600 0.044 0.000 0.983 278 K CA -1.043 55.270 56.287 0.043 0.000 0.873 278 K CB 1.571 34.119 32.500 0.080 0.000 1.118 278 K HN 0.344 nan 8.250 nan 0.000 0.441 279 E N 2.074 122.300 120.200 0.044 0.000 2.165 279 E HA 0.364 4.372 4.350 -0.570 0.000 0.266 279 E C -1.088 175.541 176.600 0.049 0.000 0.889 279 E CA -0.475 55.950 56.400 0.042 0.000 0.756 279 E CB 1.336 31.057 29.700 0.034 0.000 1.131 279 E HN 0.443 nan 8.360 nan 0.000 0.411 280 I N 2.309 122.910 120.570 0.051 0.000 2.436 280 I HA 0.217 4.044 4.170 -0.570 0.000 0.289 280 I C 0.136 176.288 176.117 0.060 0.000 1.010 280 I CA -0.608 60.722 61.300 0.049 0.000 1.098 280 I CB 1.911 39.931 38.000 0.034 0.000 1.266 280 I HN 0.343 nan 8.210 nan 0.000 0.434 281 S N 4.937 120.687 115.700 0.083 0.000 2.621 281 S HA 0.890 5.018 4.470 -0.570 0.000 0.302 281 S C -0.430 174.228 174.600 0.096 0.000 1.093 281 S CA -0.637 57.639 58.200 0.127 0.000 1.017 281 S CB 2.096 65.403 63.200 0.178 0.000 1.077 281 S HN 0.888 nan 8.310 nan 0.000 0.517 282 C N 0.426 119.803 119.300 0.129 0.000 3.320 282 C HA 0.711 4.829 4.460 -0.570 0.000 0.335 282 C C 0.888 175.975 174.990 0.162 0.000 1.430 282 C CA -0.804 58.225 59.018 0.019 0.000 1.271 282 C CB 1.005 28.745 27.740 0.001 0.000 1.609 282 C HN 1.161 nan 8.230 nan 0.000 0.457 283 R N -0.863 119.682 120.500 0.075 0.000 2.123 283 R HA 0.314 4.312 4.340 -0.570 0.000 0.209 283 R C -0.490 175.683 176.300 -0.213 0.000 1.078 283 R CA 0.512 56.543 56.100 -0.115 0.000 1.028 283 R CB 0.168 30.286 30.300 -0.304 0.000 0.939 283 R HN 0.776 nan 8.270 nan 0.000 0.463 284 Y N 0.666 121.104 120.300 0.229 0.000 2.352 284 Y HA 0.421 4.629 4.550 -0.571 0.000 0.339 284 Y C -0.829 175.178 175.900 0.178 0.000 0.992 284 Y CA -1.238 57.002 58.100 0.234 0.000 1.100 284 Y CB 1.946 40.651 38.460 0.407 0.000 1.192 284 Y HN -0.047 nan 8.280 nan 0.000 0.458 285 L N 4.784 126.040 121.223 0.056 0.000 2.349 285 L HA 0.610 4.608 4.340 -0.570 0.000 0.278 285 L C -1.866 174.919 176.870 -0.142 0.000 0.996 285 L CA -0.890 53.922 54.840 -0.047 0.000 0.825 285 L CB 0.368 42.220 42.059 -0.344 0.000 1.243 285 L HN 0.449 nan 8.230 nan 0.000 0.412 286 F N 5.617 125.611 119.950 0.073 0.000 2.444 286 F HA 0.529 4.713 4.527 -0.571 0.000 0.342 286 F C -0.464 175.341 175.800 0.007 0.000 1.121 286 F CA -0.729 57.326 58.000 0.092 0.000 0.997 286 F CB 1.570 40.618 39.000 0.080 0.000 1.130 286 F HN 0.191 nan 8.300 nan 0.000 0.454 287 L N 2.927 124.225 121.223 0.126 0.000 2.264 287 L HA 0.564 4.561 4.340 -0.570 0.000 0.289 287 L C 0.714 177.626 176.870 0.072 0.000 1.044 287 L CA 0.077 54.949 54.840 0.053 0.000 0.807 287 L CB 1.360 43.409 42.059 -0.017 0.000 1.192 287 L HN 0.812 nan 8.230 nan 0.000 0.425 288 G N 1.799 110.628 108.800 0.049 0.000 4.683 288 G HA2 0.382 4.000 3.960 -0.570 0.000 0.273 288 G HA3 0.382 4.000 3.960 -0.570 0.000 0.273 288 G C 0.613 175.521 174.900 0.013 0.000 1.065 288 G CA 0.409 45.529 45.100 0.034 0.000 0.837 288 G HN 0.693 nan 8.290 nan 0.000 0.526 289 A N 0.047 122.870 122.820 0.005 0.000 2.259 289 A HA 0.602 4.580 4.320 -0.570 0.000 0.208 289 A C 1.518 179.100 177.584 -0.003 0.000 1.201 289 A CA 1.005 53.036 52.037 -0.010 0.000 0.824 289 A CB -0.538 18.448 19.000 -0.024 0.000 0.838 289 A HN 1.923 nan 8.150 nan 0.000 0.485 290 G N -1.392 107.421 108.800 0.022 0.000 2.746 290 G HA2 -0.068 3.550 3.960 -0.570 0.000 0.685 290 G HA3 -0.068 3.550 3.960 -0.570 0.000 0.685 290 G C 0.773 175.704 174.900 0.052 0.000 1.350 290 G CA 0.238 45.368 45.100 0.050 0.000 0.837 290 G HN 1.003 nan 8.290 nan 0.000 0.564 291 S N -0.958 114.806 115.700 0.107 0.000 2.374 291 S HA -0.116 4.012 4.470 -0.570 0.000 0.227 291 S C 2.510 177.156 174.600 0.077 0.000 1.037 291 S CA 2.336 60.632 58.200 0.159 0.000 1.024 291 S CB -0.370 63.008 63.200 0.296 0.000 0.861 291 S HN 0.729 nan 8.310 nan 0.000 0.456 292 L N 0.306 121.564 121.223 0.058 0.000 2.068 292 L HA 0.149 4.146 4.340 -0.570 0.000 0.204 292 L C 2.984 179.736 176.870 -0.195 0.000 1.076 292 L CA 1.089 55.855 54.840 -0.123 0.000 0.753 292 L CB -1.361 40.738 42.059 0.067 0.000 0.910 292 L HN 0.469 nan 8.230 nan 0.000 0.439 293 G N -0.333 108.418 108.800 -0.082 0.000 2.433 293 G HA2 -0.233 3.384 3.960 -0.570 0.000 0.216 293 G HA3 -0.233 3.384 3.960 -0.570 0.000 0.216 293 G C 1.754 176.599 174.900 -0.092 0.000 1.186 293 G CA 0.986 46.039 45.100 -0.079 0.000 0.779 293 G HN 0.304 nan 8.290 nan 0.000 0.543 294 S N 0.228 115.884 115.700 -0.074 0.000 2.368 294 S HA -0.100 4.027 4.470 -0.570 0.000 0.224 294 S C 2.575 177.111 174.600 -0.107 0.000 1.029 294 S CA 1.707 59.866 58.200 -0.069 0.000 0.988 294 S CB -0.455 62.725 63.200 -0.033 0.000 0.838 294 S HN 0.456 nan 8.310 nan 0.000 0.462 295 T N 1.700 116.159 114.554 -0.159 0.000 2.746 295 T HA -0.139 3.869 4.350 -0.570 0.000 0.267 295 T C 1.815 176.369 174.700 -0.242 0.000 1.039 295 T CA 1.484 63.454 62.100 -0.215 0.000 1.142 295 T CB -0.306 68.343 68.868 -0.366 0.000 0.866 295 T HN 0.566 nan 8.240 nan 0.000 0.444 296 E N 0.691 120.716 120.200 -0.291 0.000 2.077 296 E HA -0.100 3.908 4.350 -0.570 0.000 0.193 296 E C 2.151 178.696 176.600 -0.092 0.000 0.989 296 E CA 0.815 57.112 56.400 -0.172 0.000 0.800 296 E CB -0.242 29.380 29.700 -0.129 0.000 0.746 296 E HN 0.431 nan 8.360 nan 0.000 0.452 297 L N 0.503 121.668 121.223 -0.096 0.000 2.046 297 L HA -0.206 3.792 4.340 -0.570 0.000 0.208 297 L C 2.550 179.353 176.870 -0.111 0.000 1.077 297 L CA 0.930 55.718 54.840 -0.087 0.000 0.747 297 L CB -0.298 41.713 42.059 -0.081 0.000 0.896 297 L HN 0.285 nan 8.230 nan 0.000 0.432 298 L N -1.342 119.815 121.223 -0.111 0.000 2.072 298 L HA -0.144 3.853 4.340 -0.570 0.000 0.205 298 L C 2.461 179.269 176.870 -0.103 0.000 1.079 298 L CA 0.630 55.405 54.840 -0.108 0.000 0.752 298 L CB -0.422 41.587 42.059 -0.085 0.000 0.906 298 L HN 0.056 nan 8.230 nan 0.000 0.436 299 V N -0.013 119.848 119.914 -0.088 0.000 2.427 299 V HA -0.252 3.525 4.120 -0.570 0.000 0.248 299 V C 2.649 178.601 176.094 -0.236 0.000 1.051 299 V CA 1.698 63.955 62.300 -0.071 0.000 1.048 299 V CB -0.681 31.164 31.823 0.036 0.000 0.666 299 V HN 0.459 nan 8.190 nan 0.000 0.456 300 R N 0.628 120.945 120.500 -0.305 0.000 2.073 300 R HA -0.157 3.841 4.340 -0.570 0.000 0.234 300 R C 2.331 178.356 176.300 -0.458 0.000 1.134 300 R CA 1.767 57.486 56.100 -0.635 0.000 0.952 300 R CB -0.510 29.617 30.300 -0.288 0.000 0.850 300 R HN 0.437 nan 8.270 nan 0.000 0.433 301 A N 1.352 124.023 122.820 -0.249 0.000 1.908 301 A HA -0.211 3.767 4.320 -0.570 0.000 0.218 301 A C 2.272 179.768 177.584 -0.146 0.000 1.181 301 A CA 1.599 53.532 52.037 -0.174 0.000 0.627 301 A CB -0.658 18.253 19.000 -0.148 0.000 0.818 301 A HN 0.450 nan 8.150 nan 0.000 0.445 302 R N -0.520 119.900 120.500 -0.133 0.000 2.066 302 R HA -0.144 3.854 4.340 -0.570 0.000 0.232 302 R C 1.067 177.316 176.300 -0.085 0.000 1.131 302 R CA 1.812 57.871 56.100 -0.068 0.000 0.955 302 R CB -0.309 29.971 30.300 -0.032 0.000 0.851 302 R HN 0.413 nan 8.270 nan 0.000 0.432 303 D N -0.596 119.703 120.400 -0.168 0.000 2.317 303 D HA -0.071 4.227 4.640 -0.570 0.000 0.211 303 D C 1.432 177.656 176.300 -0.126 0.000 0.966 303 D CA 1.447 55.369 54.000 -0.130 0.000 0.876 303 D CB 0.223 40.975 40.800 -0.079 0.000 0.927 303 D HN 0.441 nan 8.370 nan 0.000 0.519 304 T N -3.775 110.654 114.554 -0.209 0.000 3.086 304 T HA 0.358 4.366 4.350 -0.570 0.000 0.250 304 T C 1.588 176.259 174.700 -0.049 0.000 1.074 304 T CA 0.384 62.423 62.100 -0.102 0.000 0.988 304 T CB 0.503 69.296 68.868 -0.125 0.000 0.988 304 T HN 0.135 nan 8.240 nan 0.000 0.530 305 G N 1.613 110.383 108.800 -0.049 0.000 2.143 305 G HA2 -0.320 3.298 3.960 -0.570 0.000 0.248 305 G HA3 -0.320 3.298 3.960 -0.570 0.000 0.248 305 G C 0.848 175.743 174.900 -0.008 0.000 0.991 305 G CA 0.843 45.934 45.100 -0.015 0.000 0.689 305 G HN 0.935 nan 8.290 nan 0.000 0.522 306 T N -2.252 112.284 114.554 -0.029 0.000 3.057 306 T HA 0.491 4.499 4.350 -0.570 0.000 0.254 306 T C 1.069 175.762 174.700 -0.011 0.000 1.094 306 T CA 0.864 62.951 62.100 -0.021 0.000 1.088 306 T CB 0.281 69.126 68.868 -0.039 0.000 0.934 306 T HN 0.576 nan 8.240 nan 0.000 0.497 307 L N 2.021 123.238 121.223 -0.010 0.000 2.511 307 L HA 0.332 4.329 4.340 -0.570 0.000 0.252 307 L C -1.968 174.993 176.870 0.150 0.000 1.542 307 L CA -1.612 53.244 54.840 0.026 0.000 0.822 307 L CB 1.930 43.862 42.059 -0.211 0.000 1.050 307 L HN -0.042 nan 8.230 nan 0.000 0.516 308 P HA -0.107 nan 4.420 nan 0.000 0.228 308 P C 0.513 177.878 177.300 0.109 0.000 1.151 308 P CA 1.002 64.162 63.100 0.101 0.000 0.770 308 P CB 0.306 32.044 31.700 0.063 0.000 0.786 309 N N -0.255 118.554 118.700 0.181 0.000 2.398 309 N HA 0.087 4.485 4.740 -0.570 0.000 0.188 309 N C 0.717 176.287 175.510 0.100 0.000 1.122 309 N CA 0.117 53.179 53.050 0.019 0.000 0.866 309 N CB -0.163 38.114 38.487 -0.350 0.000 0.970 309 N HN 0.292 nan 8.380 nan 0.000 0.462 310 L N 2.054 123.410 121.223 0.222 0.000 2.416 310 L HA 0.045 4.043 4.340 -0.570 0.000 0.272 310 L C 0.860 177.775 176.870 0.075 0.000 1.161 310 L CA -0.576 54.359 54.840 0.160 0.000 0.845 310 L CB 0.210 42.337 42.059 0.113 0.000 1.119 310 L HN 0.158 nan 8.230 nan 0.000 0.464 311 N N 0.378 119.112 118.700 0.056 0.000 2.347 311 N HA 0.008 4.406 4.740 -0.570 0.000 0.253 311 N C 0.785 176.318 175.510 0.039 0.000 1.274 311 N CA -0.128 52.944 53.050 0.037 0.000 0.941 311 N CB 0.458 38.961 38.487 0.028 0.000 1.200 311 N HN 0.549 nan 8.380 nan 0.000 0.514 312 S N -1.856 113.864 115.700 0.034 0.000 2.515 312 S HA -0.051 4.077 4.470 -0.570 0.000 0.231 312 S C 0.906 175.534 174.600 0.046 0.000 0.987 312 S CA 0.292 58.516 58.200 0.039 0.000 0.936 312 S CB -0.369 62.851 63.200 0.033 0.000 0.766 312 S HN 0.559 nan 8.310 nan 0.000 0.528 313 E N 1.266 121.492 120.200 0.044 0.000 2.285 313 E HA 0.124 4.132 4.350 -0.570 0.000 0.194 313 E C 0.282 176.919 176.600 0.063 0.000 0.997 313 E CA 0.116 56.545 56.400 0.050 0.000 0.845 313 E CB -0.242 29.482 29.700 0.039 0.000 0.782 313 E HN 0.399 nan 8.360 nan 0.000 0.491 314 V N 1.119 121.067 119.914 0.057 0.000 2.493 314 V HA 0.186 3.964 4.120 -0.570 0.000 0.292 314 V C 1.506 177.652 176.094 0.086 0.000 1.016 314 V CA 1.314 63.649 62.300 0.058 0.000 1.097 314 V CB 0.458 32.303 31.823 0.036 0.000 0.947 314 V HN 0.531 nan 8.190 nan 0.000 0.479 315 G N 3.747 112.620 108.800 0.122 0.000 2.232 315 G HA2 -0.095 3.523 3.960 -0.570 0.000 0.226 315 G HA3 -0.095 3.523 3.960 -0.570 0.000 0.226 315 G C 0.370 175.413 174.900 0.239 0.000 0.996 315 G CA 0.203 45.426 45.100 0.204 0.000 0.626 315 G HN 1.382 nan 8.290 nan 0.000 0.509 316 A N -0.314 122.608 122.820 0.171 0.000 2.252 316 A HA 0.835 4.813 4.320 -0.570 0.000 0.305 316 A C 1.854 179.544 177.584 0.177 0.000 1.097 316 A CA 1.009 53.139 52.037 0.156 0.000 0.849 316 A CB 0.448 19.510 19.000 0.103 0.000 1.142 316 A HN 2.264 nan 8.150 nan 0.000 0.499 317 G N -1.982 106.915 108.800 0.161 0.000 2.198 317 G HA2 -0.239 3.379 3.960 -0.570 0.000 0.257 317 G HA3 -0.239 3.379 3.960 -0.570 0.000 0.257 317 G C -0.121 174.884 174.900 0.175 0.000 1.042 317 G CA 0.620 45.804 45.100 0.140 0.000 0.791 317 G HN 1.266 nan 8.290 nan 0.000 0.502 318 W N 0.540 121.874 121.300 0.056 0.000 2.316 318 W HA 0.592 4.909 4.660 -0.572 0.000 0.321 318 W C 0.517 177.022 176.519 -0.024 0.000 1.203 318 W CA 0.491 57.849 57.345 0.022 0.000 1.214 318 W CB 1.401 30.841 29.460 -0.033 0.000 1.169 318 W HN 0.636 nan 8.180 nan 0.000 0.561 319 G N 5.172 113.309 108.800 -1.106 0.000 2.696 319 G HA2 0.405 4.023 3.960 -0.570 0.000 0.295 319 G HA3 0.405 4.023 3.960 -0.570 0.000 0.295 319 G C -2.774 171.142 174.900 -1.640 0.000 1.398 319 G CA -1.207 43.239 45.100 -1.089 0.000 0.920 319 G HN 0.283 nan 8.290 nan 0.000 0.492 320 P HA 0.102 nan 4.420 nan 0.000 0.253 320 P C 0.424 177.462 177.300 -0.437 0.000 1.459 320 P CA -0.337 62.255 63.100 -0.845 0.000 0.908 320 P CB 0.109 31.412 31.700 -0.662 0.000 1.470 321 N N 0.861 119.346 118.700 -0.359 0.000 2.714 321 N HA -0.195 4.202 4.740 -0.570 0.000 0.250 321 N C 0.912 176.381 175.510 -0.068 0.000 1.117 321 N CA 1.371 54.324 53.050 -0.161 0.000 0.719 321 N CB -2.006 36.405 38.487 -0.127 0.000 1.081 321 N HN 0.373 nan 8.380 nan 0.000 0.557 322 G N -0.776 107.978 108.800 -0.076 0.000 2.225 322 G HA2 -0.381 3.237 3.960 -0.570 0.000 0.267 322 G HA3 -0.381 3.237 3.960 -0.570 0.000 0.267 322 G C -0.026 174.871 174.900 -0.005 0.000 1.024 322 G CA 0.414 45.520 45.100 0.011 0.000 0.784 322 G HN 0.796 nan 8.290 nan 0.000 0.507 323 N N 0.080 118.702 118.700 -0.129 0.000 2.440 323 N HA 0.372 4.770 4.740 -0.570 0.000 0.265 323 N C -0.119 175.300 175.510 -0.151 0.000 1.239 323 N CA 0.047 52.981 53.050 -0.192 0.000 0.909 323 N CB 0.446 38.620 38.487 -0.523 0.000 1.066 323 N HN 0.133 nan 8.380 nan 0.000 0.474 324 I N 2.715 123.349 120.570 0.107 0.000 2.656 324 I HA 0.269 4.096 4.170 -0.570 0.000 0.292 324 I C -0.467 175.843 176.117 0.321 0.000 1.144 324 I CA -0.316 61.135 61.300 0.252 0.000 1.038 324 I CB 1.936 40.068 38.000 0.220 0.000 1.244 324 I HN 0.553 nan 8.210 nan 0.000 0.420 325 M N 4.508 124.254 119.600 0.243 0.000 2.383 325 M HA 0.595 4.733 4.480 -0.570 0.000 0.325 325 M C -0.807 175.483 176.300 -0.017 0.000 1.092 325 M CA -0.006 55.304 55.300 0.017 0.000 0.961 325 M CB 2.111 34.504 32.600 -0.344 0.000 1.672 325 M HN 0.739 nan 8.290 nan 0.000 0.438 326 T N 2.589 117.158 114.554 0.025 0.000 2.841 326 T HA 0.919 4.927 4.350 -0.570 0.000 0.296 326 T C -2.095 172.586 174.700 -0.032 0.000 1.166 326 T CA -0.504 61.514 62.100 -0.136 0.000 1.007 326 T CB 1.777 70.291 68.868 -0.589 0.000 1.253 326 T HN 0.857 nan 8.240 nan 0.000 0.511 327 A N 2.269 125.031 122.820 -0.097 0.000 2.520 327 A HA 0.850 4.828 4.320 -0.570 0.000 0.298 327 A C -1.001 176.592 177.584 0.014 0.000 1.051 327 A CA -0.763 51.249 52.037 -0.042 0.000 0.690 327 A CB 1.507 20.432 19.000 -0.125 0.000 1.281 327 A HN 0.792 nan 8.150 nan 0.000 0.402 328 R N 0.585 121.124 120.500 0.065 0.000 2.589 328 R HA 0.698 4.696 4.340 -0.570 0.000 0.293 328 R C -0.269 176.013 176.300 -0.029 0.000 0.963 328 R CA -0.535 55.576 56.100 0.017 0.000 0.905 328 R CB 2.261 32.613 30.300 0.087 0.000 1.144 328 R HN 0.875 nan 8.270 nan 0.000 0.459 329 A N 2.792 125.570 122.820 -0.070 0.000 2.289 329 A HA 0.314 4.292 4.320 -0.570 0.000 0.298 329 A C -0.524 176.968 177.584 -0.154 0.000 1.208 329 A CA -0.596 51.402 52.037 -0.064 0.000 0.845 329 A CB 0.192 19.161 19.000 -0.052 0.000 1.125 329 A HN 0.799 nan 8.150 nan 0.000 0.517 330 N N 1.224 119.862 118.700 -0.104 0.000 2.493 330 N HA 0.310 4.707 4.740 -0.570 0.000 0.275 330 N C -0.222 175.090 175.510 -0.330 0.000 1.186 330 N CA -0.482 52.445 53.050 -0.206 0.000 0.978 330 N CB 0.440 38.910 38.487 -0.028 0.000 1.184 330 N HN 0.684 nan 8.380 nan 0.000 0.487 331 H N 1.209 120.001 119.070 -0.464 0.000 2.757 331 H HA 0.025 4.239 4.556 -0.570 0.000 0.370 331 H C 1.083 175.952 175.328 -0.765 0.000 1.172 331 H CA 0.171 55.642 56.048 -0.962 0.000 1.426 331 H CB 0.599 29.148 29.762 -2.022 0.000 1.438 331 H HN 0.526 nan 8.280 nan 0.000 0.612 332 M N 0.892 120.126 119.600 -0.610 0.000 2.267 332 M HA -0.168 3.970 4.480 -0.570 0.000 0.263 332 M C 1.707 178.099 176.300 0.154 0.000 1.063 332 M CA 1.381 56.496 55.300 -0.308 0.000 1.090 332 M CB -0.798 31.702 32.600 -0.167 0.000 1.392 332 M HN 0.750 nan 8.290 nan 0.000 0.422 333 W N -0.143 121.242 121.300 0.142 0.000 3.180 333 W HA 0.133 4.460 4.660 -0.555 0.000 0.254 333 W C 0.052 176.666 176.519 0.158 0.000 1.318 333 W CA -0.266 57.157 57.345 0.130 0.000 1.608 333 W CB -0.734 28.761 29.460 0.058 0.000 1.124 333 W HN 0.045 nan 8.180 nan 0.000 0.694 334 N N 2.538 121.310 118.700 0.120 0.000 2.886 334 N HA 0.197 4.595 4.740 -0.570 0.000 0.285 334 N C -2.742 172.842 175.510 0.124 0.000 1.706 334 N CA -1.496 51.619 53.050 0.108 0.000 0.904 334 N CB 0.456 38.956 38.487 0.021 0.000 1.224 334 N HN -0.010 nan 8.380 nan 0.000 0.488 335 P HA 0.081 nan 4.420 nan 0.000 0.271 335 P C 0.845 178.031 177.300 -0.189 0.000 1.216 335 P CA -0.034 62.962 63.100 -0.173 0.000 0.776 335 P CB 1.124 32.713 31.700 -0.186 0.000 0.881 336 T N -1.174 113.210 114.554 -0.284 0.000 3.081 336 T HA 0.342 4.350 4.350 -0.570 0.000 0.255 336 T C 0.887 175.476 174.700 -0.185 0.000 1.113 336 T CA 0.390 62.389 62.100 -0.168 0.000 1.082 336 T CB -0.767 68.017 68.868 -0.140 0.000 0.939 336 T HN 0.849 nan 8.240 nan 0.000 0.506 337 G N 0.180 108.792 108.800 -0.312 0.000 2.788 337 G HA2 0.280 3.897 3.960 -0.570 0.000 0.686 337 G HA3 0.280 3.897 3.960 -0.570 0.000 0.686 337 G C 0.486 175.156 174.900 -0.383 0.000 1.147 337 G CA -0.486 44.415 45.100 -0.332 0.000 0.755 337 G HN 0.745 nan 8.290 nan 0.000 0.634 338 A N 1.309 123.857 122.820 -0.454 0.000 2.016 338 A HA 0.292 4.270 4.320 -0.570 0.000 0.217 338 A C 0.972 178.381 177.584 -0.291 0.000 1.162 338 A CA 1.449 53.234 52.037 -0.418 0.000 0.662 338 A CB -0.113 18.608 19.000 -0.466 0.000 0.812 338 A HN 0.868 nan 8.150 nan 0.000 0.450 339 H N 0.466 119.265 119.070 -0.451 0.000 2.685 339 H HA 0.408 4.624 4.556 -0.566 0.000 0.286 339 H C -0.815 174.258 175.328 -0.424 0.000 1.102 339 H CA -0.413 55.239 56.048 -0.659 0.000 1.254 339 H CB 0.419 29.338 29.762 -1.405 0.000 1.397 339 H HN 0.425 nan 8.280 nan 0.000 0.473 340 Q N 2.064 121.869 119.800 0.009 0.000 2.330 340 Q HA 0.232 4.230 4.340 -0.570 0.000 0.269 340 Q C -0.480 175.577 176.000 0.096 0.000 1.022 340 Q CA -0.742 55.035 55.803 -0.044 0.000 0.796 340 Q CB 2.789 31.221 28.738 -0.511 0.000 1.271 340 Q HN 0.502 nan 8.270 nan 0.000 0.450 341 S N 0.917 116.673 115.700 0.093 0.000 2.560 341 S HA 0.032 4.160 4.470 -0.570 0.000 0.284 341 S C 0.728 175.271 174.600 -0.095 0.000 1.327 341 S CA -0.144 58.023 58.200 -0.054 0.000 1.055 341 S CB 0.607 63.632 63.200 -0.293 0.000 0.868 341 S HN 0.669 nan 8.310 nan 0.000 0.506 342 S N 3.316 118.954 115.700 -0.102 0.000 2.522 342 S HA 0.159 4.286 4.470 -0.570 0.000 0.227 342 S C 0.416 174.997 174.600 -0.031 0.000 0.986 342 S CA 0.170 58.312 58.200 -0.098 0.000 0.929 342 S CB -0.167 62.967 63.200 -0.110 0.000 0.769 342 S HN 0.604 nan 8.310 nan 0.000 0.529 343 I N 3.040 123.629 120.570 0.032 0.000 2.312 343 I HA 0.375 4.202 4.170 -0.570 0.000 0.290 343 I C -2.703 173.666 176.117 0.421 0.000 1.008 343 I CA -3.365 58.020 61.300 0.141 0.000 1.226 343 I CB 0.607 38.605 38.000 -0.003 0.000 1.371 343 I HN -0.176 nan 8.210 nan 0.000 0.468 344 P HA 0.236 nan 4.420 nan 0.000 0.271 344 P C 0.027 177.572 177.300 0.409 0.000 1.218 344 P CA -0.016 63.353 63.100 0.448 0.000 0.780 344 P CB 1.205 33.084 31.700 0.299 0.000 0.901 345 A N 2.077 125.077 122.820 0.301 0.000 2.474 345 A HA 0.294 4.272 4.320 -0.570 0.000 0.221 345 A C -0.164 177.362 177.584 -0.097 0.000 1.298 345 A CA 0.419 52.497 52.037 0.068 0.000 1.008 345 A CB 0.044 18.872 19.000 -0.286 0.000 1.217 345 A HN 0.434 nan 8.150 nan 0.000 0.553 346 L N -0.595 120.569 121.223 -0.098 0.000 2.370 346 L HA 0.824 4.822 4.340 -0.570 0.000 0.266 346 L C 0.073 176.873 176.870 -0.117 0.000 1.002 346 L CA -0.064 54.632 54.840 -0.239 0.000 0.818 346 L CB 1.966 43.841 42.059 -0.307 0.000 1.325 346 L HN 0.214 nan 8.230 nan 0.000 0.418 347 G N 2.917 111.603 108.800 -0.190 0.000 2.672 347 G HA2 0.638 4.256 3.960 -0.570 0.000 0.292 347 G HA3 0.638 4.256 3.960 -0.570 0.000 0.292 347 G C -1.606 173.121 174.900 -0.288 0.000 1.375 347 G CA -0.519 44.427 45.100 -0.256 0.000 0.890 347 G HN 0.471 nan 8.290 nan 0.000 0.476 348 I N 1.373 121.745 120.570 -0.330 0.000 2.330 348 I HA 0.217 4.045 4.170 -0.570 0.000 0.289 348 I C -0.943 174.991 176.117 -0.305 0.000 1.001 348 I CA -0.604 60.549 61.300 -0.245 0.000 1.193 348 I CB 1.844 39.736 38.000 -0.180 0.000 1.345 348 I HN 0.260 nan 8.210 nan 0.000 0.461 349 D N 6.518 126.826 120.400 -0.154 0.000 2.396 349 D HA 0.446 4.743 4.640 -0.570 0.000 0.225 349 D C 0.022 176.357 176.300 0.058 0.000 1.121 349 D CA -0.114 53.907 54.000 0.034 0.000 0.853 349 D CB 1.606 42.501 40.800 0.157 0.000 1.043 349 D HN 0.648 nan 8.370 nan 0.000 0.500 350 A N 5.310 128.190 122.820 0.099 0.000 2.610 350 A HA 0.118 4.096 4.320 -0.570 0.000 0.290 350 A C -0.451 177.187 177.584 0.091 0.000 1.001 350 A CA -0.744 51.316 52.037 0.039 0.000 1.004 350 A CB 0.014 18.977 19.000 -0.063 0.000 1.220 350 A HN 0.550 nan 8.150 nan 0.000 0.507 351 W N 2.488 123.798 121.300 0.017 0.000 2.308 351 W HA 0.402 4.718 4.660 -0.572 0.000 0.311 351 W C -0.976 175.522 176.519 -0.034 0.000 1.088 351 W CA -0.142 57.193 57.345 -0.017 0.000 1.309 351 W CB 1.276 30.732 29.460 -0.006 0.000 1.229 351 W HN 0.566 nan 8.180 nan 0.000 0.427 352 D N 2.958 123.241 120.400 -0.195 0.000 2.513 352 D HA -0.001 4.297 4.640 -0.570 0.000 0.222 352 D C 0.444 176.663 176.300 -0.135 0.000 1.210 352 D CA -0.153 53.799 54.000 -0.080 0.000 0.825 352 D CB -0.206 40.544 40.800 -0.082 0.000 1.037 352 D HN 0.381 nan 8.370 nan 0.000 0.506 353 N N -0.385 118.081 118.700 -0.390 0.000 2.965 353 N HA -0.172 4.226 4.740 -0.570 0.000 0.232 353 N C 0.106 175.471 175.510 -0.242 0.000 0.913 353 N CA 1.242 54.167 53.050 -0.209 0.000 0.981 353 N CB -1.744 36.830 38.487 0.144 0.000 1.077 353 N HN 0.573 nan 8.380 nan 0.000 0.589 354 S N -0.242 115.272 115.700 -0.310 0.000 2.686 354 S HA 0.349 4.477 4.470 -0.570 0.000 0.270 354 S C 0.890 175.318 174.600 -0.287 0.000 1.194 354 S CA -0.357 57.713 58.200 -0.218 0.000 0.990 354 S CB 1.425 64.527 63.200 -0.165 0.000 1.029 354 S HN 0.008 nan 8.310 nan 0.000 0.560 355 D N 0.768 121.056 120.400 -0.187 0.000 2.310 355 D HA -0.029 4.269 4.640 -0.570 0.000 0.212 355 D C 1.564 177.743 176.300 -0.201 0.000 0.965 355 D CA 1.389 55.285 54.000 -0.173 0.000 0.879 355 D CB -0.254 40.484 40.800 -0.102 0.000 0.921 355 D HN 0.653 nan 8.370 nan 0.000 0.510 356 S N -0.867 114.703 115.700 -0.216 0.000 2.577 356 S HA 0.125 4.253 4.470 -0.570 0.000 0.219 356 S C 0.765 175.207 174.600 -0.263 0.000 0.962 356 S CA -0.544 57.540 58.200 -0.193 0.000 0.921 356 S CB 0.275 63.392 63.200 -0.139 0.000 0.789 356 S HN -0.190 nan 8.310 nan 0.000 0.497 357 S N 1.687 117.111 115.700 -0.461 0.000 2.546 357 S HA 0.403 4.531 4.470 -0.570 0.000 0.290 357 S C -0.289 174.083 174.600 -0.381 0.000 1.290 357 S CA -0.194 57.597 58.200 -0.681 0.000 1.069 357 S CB 0.774 62.927 63.200 -1.745 0.000 0.846 357 S HN 0.386 nan 8.310 nan 0.000 0.495 358 V N 4.352 124.245 119.914 -0.036 0.000 2.711 358 V HA 0.422 4.199 4.120 -0.570 0.000 0.304 358 V C -1.179 175.133 176.094 0.363 0.000 1.097 358 V CA -0.735 61.680 62.300 0.193 0.000 0.906 358 V CB 1.701 33.550 31.823 0.043 0.000 1.015 358 V HN 0.803 nan 8.190 nan 0.000 0.427 359 F N 4.531 124.671 119.950 0.316 0.000 2.382 359 F HA 0.840 5.026 4.527 -0.568 0.000 0.361 359 F C 0.147 176.045 175.800 0.164 0.000 1.109 359 F CA -0.424 57.688 58.000 0.188 0.000 1.031 359 F CB 1.115 40.161 39.000 0.076 0.000 1.234 359 F HN 0.619 nan 8.300 nan 0.000 0.445 360 A N 5.111 127.791 122.820 -0.234 0.000 2.342 360 A HA 0.647 4.625 4.320 -0.570 0.000 0.323 360 A C -1.050 176.465 177.584 -0.113 0.000 1.125 360 A CA -0.747 51.287 52.037 -0.005 0.000 0.785 360 A CB 0.852 19.992 19.000 0.233 0.000 1.221 360 A HN 0.787 nan 8.150 nan 0.000 0.463 361 E N 1.927 122.171 120.200 0.073 0.000 2.204 361 E HA 0.594 4.602 4.350 -0.570 0.000 0.276 361 E C -1.127 175.607 176.600 0.224 0.000 0.974 361 E CA -0.581 55.874 56.400 0.092 0.000 0.815 361 E CB 1.222 31.008 29.700 0.143 0.000 1.119 361 E HN 0.475 nan 8.360 nan 0.000 0.393 362 I N 2.778 123.472 120.570 0.207 0.000 2.347 362 I HA 0.241 4.068 4.170 -0.570 0.000 0.294 362 I C 0.050 176.328 176.117 0.268 0.000 1.090 362 I CA -0.353 61.081 61.300 0.223 0.000 1.314 362 I CB 0.460 38.572 38.000 0.187 0.000 1.423 362 I HN 0.628 nan 8.210 nan 0.000 0.503 363 A N 9.892 132.794 122.820 0.137 0.000 2.331 363 A HA 0.660 4.637 4.320 -0.570 0.000 0.283 363 A C -2.273 175.284 177.584 -0.045 0.000 1.142 363 A CA -1.399 50.698 52.037 0.100 0.000 0.812 363 A CB 0.152 19.172 19.000 0.033 0.000 1.074 363 A HN 0.429 nan 8.150 nan 0.000 0.497 364 P HA 0.282 nan 4.420 nan 0.000 0.276 364 P C -0.879 176.140 177.300 -0.468 0.000 1.252 364 P CA -0.255 62.370 63.100 -0.791 0.000 0.802 364 P CB 0.762 31.955 31.700 -0.845 0.000 1.035 365 M N 2.567 121.855 119.600 -0.518 0.000 2.167 365 M HA 0.246 4.384 4.480 -0.570 0.000 0.333 365 M C -1.719 174.374 176.300 -0.345 0.000 1.030 365 M CA -2.508 52.555 55.300 -0.394 0.000 0.963 365 M CB 1.720 34.036 32.600 -0.474 0.000 1.589 365 M HN 0.217 nan 8.290 nan 0.000 0.431 366 P HA 0.096 nan 4.420 nan 0.000 0.249 366 P C 0.881 178.095 177.300 -0.144 0.000 1.241 366 P CA 0.370 63.375 63.100 -0.158 0.000 0.781 366 P CB 0.052 31.694 31.700 -0.097 0.000 1.088 367 A N 1.224 123.888 122.820 -0.260 0.000 1.917 367 A HA 0.023 4.001 4.320 -0.570 0.000 0.219 367 A C 2.049 179.533 177.584 -0.166 0.000 1.182 367 A CA 2.213 54.086 52.037 -0.273 0.000 0.633 367 A CB -1.682 16.880 19.000 -0.730 0.000 0.819 367 A HN 0.337 nan 8.150 nan 0.000 0.448 368 G N -2.741 105.953 108.800 -0.176 0.000 2.175 368 G HA2 -0.070 3.547 3.960 -0.570 0.000 0.244 368 G HA3 -0.070 3.547 3.960 -0.570 0.000 0.244 368 G C 0.027 174.851 174.900 -0.127 0.000 0.982 368 G CA 0.821 45.869 45.100 -0.087 0.000 0.641 368 G HN 1.720 nan 8.290 nan 0.000 0.527 369 L N -3.367 117.720 121.223 -0.227 0.000 2.491 369 L HA 0.986 4.984 4.340 -0.570 0.000 0.254 369 L C -0.292 176.347 176.870 -0.385 0.000 1.048 369 L CA -1.928 52.763 54.840 -0.248 0.000 0.855 369 L CB 0.895 42.870 42.059 -0.141 0.000 1.466 369 L HN 0.008 nan 8.230 nan 0.000 0.409 370 E N 0.016 119.951 120.200 -0.441 0.000 2.366 370 E HA 0.356 4.364 4.350 -0.570 0.000 0.266 370 E C 0.551 176.758 176.600 -0.655 0.000 1.015 370 E CA 0.950 56.924 56.400 -0.710 0.000 0.906 370 E CB 0.851 29.951 29.700 -1.001 0.000 0.979 370 E HN 0.825 nan 8.360 nan 0.000 0.443 371 T N 0.814 115.001 114.554 -0.612 0.000 2.958 371 T HA 0.055 4.063 4.350 -0.570 0.000 0.256 371 T C 0.476 175.245 174.700 0.116 0.000 0.983 371 T CA 0.007 61.970 62.100 -0.228 0.000 0.924 371 T CB -0.250 68.249 68.868 -0.614 0.000 1.136 371 T HN 0.628 nan 8.240 nan 0.000 0.506 372 W N 0.953 122.163 121.300 -0.151 0.000 3.207 372 W HA -0.217 4.228 4.660 -0.359 0.000 0.291 372 W C -0.744 175.694 176.519 -0.136 0.000 1.105 372 W CA 0.065 57.332 57.345 -0.130 0.000 0.612 372 W CB -2.163 27.232 29.460 -0.108 0.000 2.140 372 W HN 0.232 nan 8.180 nan 0.000 1.420 373 V N 1.139 121.033 119.914 -0.034 0.000 2.439 373 V HA 0.391 4.169 4.120 -0.570 0.000 0.282 373 V C 0.769 176.775 176.094 -0.148 0.000 1.039 373 V CA -0.109 62.146 62.300 -0.075 0.000 0.913 373 V CB 1.789 33.552 31.823 -0.101 0.000 0.983 373 V HN -0.013 nan 8.190 nan 0.000 0.460 374 S N 4.995 120.608 115.700 -0.144 0.000 2.474 374 S HA 0.580 4.708 4.470 -0.570 0.000 0.321 374 S C -0.586 173.717 174.600 -0.495 0.000 1.080 374 S CA -0.347 57.688 58.200 -0.274 0.000 1.106 374 S CB 0.974 64.080 63.200 -0.156 0.000 0.984 374 S HN 0.532 nan 8.310 nan 0.000 0.464 375 L N 4.725 125.633 121.223 -0.525 0.000 2.325 375 L HA 0.655 4.653 4.340 -0.570 0.000 0.279 375 L C -1.637 174.864 176.870 -0.616 0.000 1.054 375 L CA -0.236 54.347 54.840 -0.428 0.000 0.804 375 L CB 0.520 42.452 42.059 -0.212 0.000 1.200 375 L HN 0.581 nan 8.230 nan 0.000 0.436 376 Y N 4.406 124.687 120.300 -0.032 0.000 2.492 376 Y HA 0.541 4.757 4.550 -0.556 0.000 0.346 376 Y C -0.746 175.177 175.900 0.039 0.000 0.997 376 Y CA -0.739 57.366 58.100 0.008 0.000 1.025 376 Y CB 1.800 40.204 38.460 -0.093 0.000 1.263 376 Y HN 0.422 nan 8.280 nan 0.000 0.454 377 L N 3.173 124.555 121.223 0.265 0.000 2.318 377 L HA 0.861 4.858 4.340 -0.570 0.000 0.277 377 L C -0.620 176.417 176.870 0.277 0.000 1.008 377 L CA -0.564 54.418 54.840 0.235 0.000 0.846 377 L CB 0.560 42.748 42.059 0.216 0.000 1.220 377 L HN 0.867 nan 8.230 nan 0.000 0.423 378 A N 6.095 129.091 122.820 0.293 0.000 2.303 378 A HA 0.734 4.712 4.320 -0.570 0.000 0.317 378 A C -0.629 177.110 177.584 0.259 0.000 1.149 378 A CA -0.498 51.725 52.037 0.310 0.000 0.822 378 A CB 0.797 20.028 19.000 0.385 0.000 1.131 378 A HN 0.710 nan 8.150 nan 0.000 0.493 379 I N 2.352 123.099 120.570 0.294 0.000 2.410 379 I HA 0.353 4.181 4.170 -0.570 0.000 0.286 379 I C 0.422 176.778 176.117 0.399 0.000 1.009 379 I CA -0.220 61.243 61.300 0.271 0.000 1.111 379 I CB 2.044 40.182 38.000 0.231 0.000 1.262 379 I HN 0.847 nan 8.210 nan 0.000 0.443 380 T N 1.898 116.642 114.554 0.317 0.000 2.927 380 T HA 0.454 4.462 4.350 -0.570 0.000 0.286 380 T C -0.433 174.432 174.700 0.275 0.000 1.040 380 T CA -0.967 61.298 62.100 0.274 0.000 1.010 380 T CB 2.126 71.062 68.868 0.113 0.000 1.177 380 T HN 0.469 nan 8.240 nan 0.000 0.546 381 K N 1.451 121.851 120.400 0.001 0.000 2.347 381 K HA 0.329 4.307 4.320 -0.570 0.000 0.262 381 K C -0.982 175.631 176.600 0.023 0.000 1.052 381 K CA -0.557 55.743 56.287 0.022 0.000 0.946 381 K CB 0.101 32.424 32.500 -0.295 0.000 1.220 381 K HN 0.606 nan 8.250 nan 0.000 0.450 382 N N 5.225 123.979 118.700 0.090 0.000 2.442 382 N HA 0.256 4.654 4.740 -0.570 0.000 0.274 382 N C -1.774 173.796 175.510 0.101 0.000 1.002 382 N CA -2.117 50.981 53.050 0.080 0.000 0.910 382 N CB 1.687 40.239 38.487 0.107 0.000 1.244 382 N HN 0.362 nan 8.380 nan 0.000 0.492 383 P HA -0.096 nan 4.420 nan 0.000 0.225 383 P C -0.261 177.089 177.300 0.084 0.000 1.148 383 P CA 0.697 63.840 63.100 0.071 0.000 0.779 383 P CB 0.398 32.123 31.700 0.041 0.000 0.780 384 Q N 1.099 120.957 119.800 0.097 0.000 2.315 384 Q HA 0.084 4.081 4.340 -0.570 0.000 0.289 384 Q C 0.431 176.594 176.000 0.272 0.000 1.044 384 Q CA 0.892 56.759 55.803 0.107 0.000 0.920 384 Q CB 0.478 29.220 28.738 0.006 0.000 1.214 384 Q HN 0.199 nan 8.270 nan 0.000 0.392 385 R N 0.477 121.126 120.500 0.248 0.000 2.744 385 R HA 0.686 4.684 4.340 -0.570 0.000 0.279 385 R C -0.048 176.498 176.300 0.410 0.000 0.977 385 R CA -0.649 55.660 56.100 0.348 0.000 0.906 385 R CB 1.877 32.288 30.300 0.186 0.000 1.197 385 R HN 0.737 nan 8.270 nan 0.000 0.463 386 G N -0.215 108.926 108.800 0.568 0.000 2.601 386 G HA2 0.620 4.237 3.960 -0.570 0.000 0.317 386 G HA3 0.620 4.237 3.960 -0.570 0.000 0.317 386 G C -1.031 173.985 174.900 0.194 0.000 1.246 386 G CA -0.220 45.147 45.100 0.446 0.000 1.012 386 G HN 0.322 nan 8.290 nan 0.000 0.494 387 T N 0.064 114.620 114.554 0.003 0.000 2.952 387 T HA 0.412 4.420 4.350 -0.570 0.000 0.305 387 T C -1.301 173.293 174.700 -0.177 0.000 1.064 387 T CA -0.203 61.887 62.100 -0.017 0.000 1.008 387 T CB 1.296 70.187 68.868 0.039 0.000 1.078 387 T HN 0.246 nan 8.240 nan 0.000 0.459 388 F N 2.298 122.223 119.950 -0.041 0.000 2.420 388 F HA 0.530 4.715 4.527 -0.571 0.000 0.352 388 F C 0.266 176.057 175.800 -0.015 0.000 1.108 388 F CA -0.423 57.522 58.000 -0.092 0.000 1.162 388 F CB 0.929 39.871 39.000 -0.097 0.000 1.118 388 F HN 0.171 nan 8.300 nan 0.000 0.510 389 V N 4.533 124.547 119.914 0.167 0.000 2.555 389 V HA 0.222 3.999 4.120 -0.570 0.000 0.302 389 V C -0.891 175.314 176.094 0.185 0.000 1.038 389 V CA -1.203 61.184 62.300 0.144 0.000 0.887 389 V CB 1.702 33.566 31.823 0.069 0.000 0.991 389 V HN 0.499 nan 8.190 nan 0.000 0.434 390 Y N 3.089 123.426 120.300 0.063 0.000 2.335 390 Y HA 0.446 4.654 4.550 -0.571 0.000 0.331 390 Y C 0.006 175.932 175.900 0.044 0.000 1.094 390 Y CA -0.648 57.483 58.100 0.052 0.000 1.253 390 Y CB 1.065 39.547 38.460 0.036 0.000 1.203 390 Y HN 0.754 nan 8.280 nan 0.000 0.508 391 D N 4.807 124.843 120.400 -0.606 0.000 2.454 391 D HA 0.364 4.662 4.640 -0.570 0.000 0.225 391 D C 0.457 176.255 176.300 -0.837 0.000 1.081 391 D CA 0.049 53.758 54.000 -0.484 0.000 0.864 391 D CB 1.205 41.862 40.800 -0.238 0.000 1.040 391 D HN 0.709 nan 8.370 nan 0.000 0.517 392 A N 3.672 126.132 122.820 -0.600 0.000 2.070 392 A HA 0.047 4.025 4.320 -0.570 0.000 0.220 392 A C 2.067 179.551 177.584 -0.167 0.000 1.159 392 A CA 1.605 53.447 52.037 -0.326 0.000 0.656 392 A CB -0.422 18.593 19.000 0.025 0.000 0.800 392 A HN 0.623 nan 8.150 nan 0.000 0.453 393 A N -0.248 122.482 122.820 -0.150 0.000 1.855 393 A HA -0.084 3.894 4.320 -0.570 0.000 0.215 393 A C 2.350 179.888 177.584 -0.077 0.000 1.191 393 A CA 2.370 54.359 52.037 -0.081 0.000 0.613 393 A CB -1.092 17.871 19.000 -0.062 0.000 0.829 393 A HN 0.796 nan 8.150 nan 0.000 0.442 394 T N -4.461 110.028 114.554 -0.108 0.000 3.060 394 T HA 0.231 4.239 4.350 -0.570 0.000 0.249 394 T C 0.426 175.086 174.700 -0.068 0.000 1.079 394 T CA 0.949 63.006 62.100 -0.071 0.000 1.013 394 T CB 0.010 68.846 68.868 -0.053 0.000 0.975 394 T HN 0.464 nan 8.240 nan 0.000 0.518 395 D N 0.795 121.111 120.400 -0.139 0.000 2.746 395 D HA -0.150 4.148 4.640 -0.570 0.000 0.236 395 D C -0.599 175.724 176.300 0.038 0.000 1.129 395 D CA 0.466 54.448 54.000 -0.029 0.000 0.691 395 D CB -0.769 40.087 40.800 0.093 0.000 1.077 395 D HN 0.367 nan 8.370 nan 0.000 0.432 396 R N -0.395 120.051 120.500 -0.089 0.000 2.725 396 R HA 0.825 4.823 4.340 -0.570 0.000 0.277 396 R C -0.492 175.841 176.300 0.055 0.000 0.987 396 R CA -0.321 55.802 56.100 0.039 0.000 0.901 396 R CB 1.687 32.011 30.300 0.039 0.000 1.207 396 R HN 0.131 nan 8.270 nan 0.000 0.463 397 A N 2.785 125.709 122.820 0.174 0.000 2.320 397 A HA 0.436 4.414 4.320 -0.570 0.000 0.287 397 A C -0.309 177.441 177.584 0.277 0.000 1.181 397 A CA -0.256 51.916 52.037 0.224 0.000 0.831 397 A CB 0.354 19.445 19.000 0.153 0.000 1.102 397 A HN 0.510 nan 8.150 nan 0.000 0.513 398 K N 1.471 121.993 120.400 0.204 0.000 2.164 398 K HA 0.454 4.432 4.320 -0.570 0.000 0.258 398 K C -1.074 175.457 176.600 -0.115 0.000 0.951 398 K CA -0.748 55.612 56.287 0.122 0.000 0.844 398 K CB 1.944 34.486 32.500 0.071 0.000 1.099 398 K HN 0.547 nan 8.250 nan 0.000 0.435 399 L N 3.439 124.335 121.223 -0.545 0.000 2.278 399 L HA 0.230 4.228 4.340 -0.570 0.000 0.287 399 L C -0.860 175.733 176.870 -0.461 0.000 1.072 399 L CA -0.149 54.093 54.840 -0.997 0.000 0.819 399 L CB 0.290 41.276 42.059 -1.789 0.000 1.176 399 L HN 0.436 nan 8.230 nan 0.000 0.435 400 N N 6.699 125.210 118.700 -0.316 0.000 2.482 400 N HA 0.191 4.589 4.740 -0.570 0.000 0.242 400 N C -1.549 173.960 175.510 -0.002 0.000 1.100 400 N CA 0.057 53.039 53.050 -0.113 0.000 0.946 400 N CB 0.207 38.651 38.487 -0.071 0.000 1.227 400 N HN 0.636 nan 8.380 nan 0.000 0.508 401 W N 2.700 123.894 121.300 -0.176 0.000 3.439 401 W HA 0.232 4.550 4.660 -0.571 0.000 0.323 401 W C -1.023 175.471 176.519 -0.042 0.000 1.174 401 W CA -0.597 56.693 57.345 -0.093 0.000 1.224 401 W CB 1.436 30.833 29.460 -0.105 0.000 1.348 401 W HN 0.289 nan 8.180 nan 0.000 0.498 402 T N 1.839 116.075 114.554 -0.529 0.000 2.888 402 T HA 0.345 4.353 4.350 -0.570 0.000 0.284 402 T C 0.923 175.376 174.700 -0.411 0.000 1.017 402 T CA -0.673 61.235 62.100 -0.319 0.000 1.022 402 T CB 2.632 71.355 68.868 -0.243 0.000 1.013 402 T HN 0.642 nan 8.240 nan 0.000 0.465 403 R N 1.025 121.475 120.500 -0.083 0.000 2.127 403 R HA -0.150 3.847 4.340 -0.570 0.000 0.238 403 R C 1.876 178.142 176.300 -0.056 0.000 1.134 403 R CA 2.234 58.353 56.100 0.032 0.000 0.975 403 R CB -0.417 29.930 30.300 0.077 0.000 0.865 403 R HN 0.907 nan 8.270 nan 0.000 0.447 404 D N -0.471 119.852 120.400 -0.129 0.000 2.310 404 D HA -0.206 4.092 4.640 -0.570 0.000 0.212 404 D C 1.083 177.266 176.300 -0.196 0.000 0.965 404 D CA 0.824 54.748 54.000 -0.126 0.000 0.879 404 D CB -0.174 40.559 40.800 -0.112 0.000 0.921 404 D HN 0.440 nan 8.370 nan 0.000 0.510 405 Q N 0.047 119.609 119.800 -0.395 0.000 2.436 405 Q HA 0.028 4.026 4.340 -0.570 0.000 0.209 405 Q C 1.137 176.996 176.000 -0.235 0.000 0.965 405 Q CA 0.337 55.818 55.803 -0.537 0.000 0.910 405 Q CB -0.135 27.826 28.738 -1.295 0.000 0.980 405 Q HN 0.435 nan 8.270 nan 0.000 0.491 406 N N -0.602 118.090 118.700 -0.013 0.000 2.280 406 N HA 0.111 4.509 4.740 -0.570 0.000 0.192 406 N C 1.249 176.796 175.510 0.061 0.000 1.109 406 N CA 0.029 53.191 53.050 0.186 0.000 0.855 406 N CB 0.332 39.009 38.487 0.317 0.000 0.974 406 N HN 0.145 nan 8.380 nan 0.000 0.482 407 A N 1.989 124.805 122.820 -0.007 0.000 1.908 407 A HA -0.073 3.905 4.320 -0.570 0.000 0.218 407 A C -0.396 177.163 177.584 -0.040 0.000 1.181 407 A CA 1.281 53.299 52.037 -0.033 0.000 0.627 407 A CB -1.278 17.694 19.000 -0.048 0.000 0.818 407 A HN 0.177 nan 8.150 nan 0.000 0.445 408 P HA -0.077 nan 4.420 nan 0.000 0.218 408 P C 1.696 178.981 177.300 -0.025 0.000 1.149 408 P CA 1.735 64.819 63.100 -0.028 0.000 0.817 408 P CB -0.059 31.634 31.700 -0.012 0.000 0.785 409 A N -0.609 122.216 122.820 0.010 0.000 1.873 409 A HA -0.138 3.840 4.320 -0.570 0.000 0.215 409 A C 2.281 179.847 177.584 -0.029 0.000 1.186 409 A CA 1.705 53.755 52.037 0.022 0.000 0.616 409 A CB -1.666 17.377 19.000 0.071 0.000 0.823 409 A HN 0.009 nan 8.150 nan 0.000 0.442 410 V N 0.930 120.796 119.914 -0.079 0.000 2.343 410 V HA -0.312 3.466 4.120 -0.570 0.000 0.247 410 V C 2.160 178.053 176.094 -0.335 0.000 1.051 410 V CA 2.262 64.410 62.300 -0.253 0.000 1.036 410 V CB -1.253 30.424 31.823 -0.243 0.000 0.654 410 V HN 0.633 nan 8.190 nan 0.000 0.451 411 N N 0.337 118.921 118.700 -0.193 0.000 2.120 411 N HA -0.164 4.234 4.740 -0.570 0.000 0.188 411 N C 1.939 177.378 175.510 -0.118 0.000 1.024 411 N CA 1.229 54.187 53.050 -0.154 0.000 0.852 411 N CB -0.271 38.159 38.487 -0.095 0.000 1.003 411 N HN 0.503 nan 8.380 nan 0.000 0.424 412 A N 1.166 123.933 122.820 -0.089 0.000 1.898 412 A HA 0.043 4.021 4.320 -0.570 0.000 0.216 412 A C 2.322 179.895 177.584 -0.018 0.000 1.181 412 A CA 1.553 53.552 52.037 -0.063 0.000 0.620 412 A CB -0.728 18.232 19.000 -0.067 0.000 0.819 412 A HN 0.342 nan 8.150 nan 0.000 0.442 413 A N -0.264 122.567 122.820 0.020 0.000 1.898 413 A HA -0.145 3.833 4.320 -0.570 0.000 0.216 413 A C 2.141 179.913 177.584 0.313 0.000 1.181 413 A CA 1.911 54.080 52.037 0.219 0.000 0.620 413 A CB -0.452 18.722 19.000 0.290 0.000 0.819 413 A HN 0.524 nan 8.150 nan 0.000 0.442 414 K N -0.286 120.092 120.400 -0.038 0.000 2.057 414 K HA -0.118 3.860 4.320 -0.570 0.000 0.207 414 K C 2.182 178.901 176.600 0.198 0.000 1.049 414 K CA 1.214 57.544 56.287 0.072 0.000 0.931 414 K CB -0.334 31.999 32.500 -0.279 0.000 0.714 414 K HN 0.372 nan 8.250 nan 0.000 0.440 415 A N 1.322 124.177 122.820 0.059 0.000 1.908 415 A HA -0.188 3.790 4.320 -0.570 0.000 0.218 415 A C 2.067 179.654 177.584 0.006 0.000 1.181 415 A CA 1.542 53.597 52.037 0.030 0.000 0.627 415 A CB -0.619 18.367 19.000 -0.024 0.000 0.818 415 A HN 0.400 nan 8.150 nan 0.000 0.445 416 L N -1.698 119.494 121.223 -0.052 0.000 2.005 416 L HA -0.023 3.975 4.340 -0.570 0.000 0.207 416 L C 2.146 178.836 176.870 -0.300 0.000 1.072 416 L CA 1.958 56.653 54.840 -0.241 0.000 0.744 416 L CB -0.553 41.240 42.059 -0.442 0.000 0.895 416 L HN 0.335 nan 8.230 nan 0.000 0.433 417 F N -0.244 119.759 119.950 0.088 0.000 2.407 417 F HA -0.099 4.088 4.527 -0.566 0.000 0.299 417 F C 2.110 177.953 175.800 0.071 0.000 1.097 417 F CA 0.848 58.898 58.000 0.084 0.000 1.422 417 F CB -0.626 38.517 39.000 0.239 0.000 1.067 417 F HN 0.164 nan 8.300 nan 0.000 0.539 418 D N -0.062 120.503 120.400 0.276 0.000 2.178 418 D HA -0.081 4.216 4.640 -0.570 0.000 0.202 418 D C 2.299 178.632 176.300 0.055 0.000 0.974 418 D CA 0.862 54.968 54.000 0.177 0.000 0.841 418 D CB -0.162 40.757 40.800 0.198 0.000 0.953 418 D HN 0.207 nan 8.370 nan 0.000 0.478 419 R N 0.103 120.612 120.500 0.015 0.000 2.073 419 R HA -0.006 3.991 4.340 -0.570 0.000 0.234 419 R C 2.474 178.753 176.300 -0.034 0.000 1.134 419 R CA 0.786 56.872 56.100 -0.024 0.000 0.952 419 R CB -0.238 30.025 30.300 -0.063 0.000 0.850 419 R HN 0.238 nan 8.270 nan 0.000 0.433 420 I N 1.113 121.648 120.570 -0.057 0.000 2.226 420 I HA -0.266 3.561 4.170 -0.570 0.000 0.245 420 I C 1.775 177.873 176.117 -0.031 0.000 1.100 420 I CA 1.018 62.291 61.300 -0.046 0.000 1.374 420 I CB -0.408 37.559 38.000 -0.054 0.000 1.057 420 I HN 0.165 nan 8.210 nan 0.000 0.413 421 N N 1.130 119.795 118.700 -0.058 0.000 2.120 421 N HA -0.203 4.195 4.740 -0.570 0.000 0.188 421 N C 1.788 177.278 175.510 -0.034 0.000 1.024 421 N CA 1.243 54.231 53.050 -0.102 0.000 0.852 421 N CB -0.262 38.090 38.487 -0.225 0.000 1.003 421 N HN 0.337 nan 8.380 nan 0.000 0.424 422 K N 0.588 120.983 120.400 -0.009 0.000 2.057 422 K HA 0.000 3.978 4.320 -0.570 0.000 0.207 422 K C 1.779 178.395 176.600 0.027 0.000 1.049 422 K CA 1.245 57.542 56.287 0.016 0.000 0.931 422 K CB -0.062 32.449 32.500 0.019 0.000 0.714 422 K HN 0.104 nan 8.250 nan 0.000 0.440 423 A N 1.049 123.881 122.820 0.020 0.000 2.014 423 A HA -0.069 3.909 4.320 -0.570 0.000 0.218 423 A C 1.425 179.046 177.584 0.062 0.000 1.163 423 A CA 1.265 53.321 52.037 0.032 0.000 0.652 423 A CB -0.190 18.819 19.000 0.016 0.000 0.808 423 A HN 0.404 nan 8.150 nan 0.000 0.449 424 N N -1.272 117.470 118.700 0.071 0.000 2.205 424 N HA 0.143 4.541 4.740 -0.570 0.000 0.201 424 N C 0.924 176.577 175.510 0.237 0.000 1.128 424 N CA 0.746 53.880 53.050 0.141 0.000 0.867 424 N CB 0.664 39.207 38.487 0.092 0.000 0.996 424 N HN 0.537 nan 8.380 nan 0.000 0.503 425 G N 2.159 111.046 108.800 0.145 0.000 2.198 425 G HA2 -0.288 3.330 3.960 -0.570 0.000 0.260 425 G HA3 -0.288 3.330 3.960 -0.570 0.000 0.260 425 G C 0.343 175.327 174.900 0.140 0.000 1.025 425 G CA 1.104 46.308 45.100 0.173 0.000 0.769 425 G HN 0.470 nan 8.290 nan 0.000 0.507 426 T N -1.763 112.765 114.554 -0.044 0.000 2.936 426 T HA 0.819 4.826 4.350 -0.570 0.000 0.282 426 T C 0.593 175.198 174.700 -0.158 0.000 1.003 426 T CA -0.401 61.574 62.100 -0.208 0.000 1.005 426 T CB 2.569 71.235 68.868 -0.337 0.000 1.097 426 T HN 1.257 nan 8.240 nan 0.000 0.532 427 I N -2.344 118.128 120.570 -0.164 0.000 3.206 427 I HA 0.698 4.526 4.170 -0.570 0.000 0.313 427 I C -1.139 174.868 176.117 -0.183 0.000 1.103 427 I CA -1.873 59.352 61.300 -0.124 0.000 0.985 427 I CB 1.403 39.430 38.000 0.044 0.000 1.240 427 I HN 0.526 nan 8.210 nan 0.000 0.464 428 Y N 1.036 121.296 120.300 -0.067 0.000 2.326 428 Y HA 0.508 4.713 4.550 -0.575 0.000 0.324 428 Y C 0.406 176.122 175.900 -0.306 0.000 1.291 428 Y CA -0.421 57.497 58.100 -0.303 0.000 1.348 428 Y CB 0.571 38.631 38.460 -0.668 0.000 1.294 428 Y HN 0.282 nan 8.280 nan 0.000 0.525 429 R N 1.113 121.521 120.500 -0.152 0.000 2.368 429 R HA 0.188 4.186 4.340 -0.570 0.000 0.302 429 R C -0.938 175.193 176.300 -0.281 0.000 1.002 429 R CA -0.447 55.592 56.100 -0.102 0.000 0.929 429 R CB 0.561 30.808 30.300 -0.089 0.000 1.073 429 R HN 0.795 nan 8.270 nan 0.000 0.464 430 Y N -0.072 120.203 120.300 -0.041 0.000 2.500 430 Y HA 0.067 4.275 4.550 -0.571 0.000 0.246 430 Y C 0.866 176.723 175.900 -0.072 0.000 1.146 430 Y CA -0.301 57.773 58.100 -0.042 0.000 1.230 430 Y CB 0.620 39.084 38.460 0.006 0.000 1.214 430 Y HN 0.510 nan 8.280 nan 0.000 0.526 431 D N -0.906 119.497 120.400 0.004 0.000 2.440 431 D HA 0.076 4.374 4.640 -0.570 0.000 0.216 431 D C 1.089 177.284 176.300 -0.174 0.000 1.150 431 D CA 0.226 54.193 54.000 -0.056 0.000 0.832 431 D CB -0.384 40.395 40.800 -0.035 0.000 0.992 431 D HN 0.320 nan 8.370 nan 0.000 0.502 432 L N -0.951 120.051 121.223 -0.369 0.000 2.375 432 L HA 0.226 4.224 4.340 -0.570 0.000 0.215 432 L C 0.616 177.177 176.870 -0.516 0.000 1.108 432 L CA 0.448 54.976 54.840 -0.521 0.000 0.830 432 L CB -0.210 41.383 42.059 -0.776 0.000 0.959 432 L HN -0.085 nan 8.230 nan 0.000 0.457 433 F N 0.576 120.506 119.950 -0.033 0.000 2.975 433 F HA 0.481 4.673 4.527 -0.558 0.000 0.311 433 F C 1.333 177.070 175.800 -0.104 0.000 1.239 433 F CA -0.227 57.737 58.000 -0.058 0.000 1.282 433 F CB 0.036 39.008 39.000 -0.047 0.000 1.071 433 F HN 0.110 nan 8.300 nan 0.000 0.516 434 G N 0.769 109.509 108.800 -0.100 0.000 2.498 434 G HA2 -0.246 3.372 3.960 -0.570 0.000 0.245 434 G HA3 -0.246 3.372 3.960 -0.570 0.000 0.245 434 G C 0.012 174.835 174.900 -0.129 0.000 1.204 434 G CA -0.382 44.565 45.100 -0.255 0.000 0.933 434 G HN 0.282 nan 8.290 nan 0.000 0.574 435 T N 0.934 115.432 114.554 -0.092 0.000 2.732 435 T HA 0.722 4.730 4.350 -0.570 0.000 0.287 435 T C 0.840 175.549 174.700 0.015 0.000 0.993 435 T CA 2.166 64.246 62.100 -0.035 0.000 0.966 435 T CB 0.294 69.145 68.868 -0.028 0.000 1.047 435 T HN 2.660 nan 8.240 nan 0.000 0.527 436 Q N -0.939 118.876 119.800 0.025 0.000 2.696 436 Q HA -0.100 3.897 4.340 -0.570 0.000 0.031 436 Q C -0.788 175.257 176.000 0.074 0.000 1.551 436 Q CA 0.779 56.612 55.803 0.050 0.000 0.218 436 Q CB -1.846 26.932 28.738 0.068 0.000 3.220 436 Q HN 0.748 nan 8.270 nan 0.000 0.312 437 L N 1.600 122.878 121.223 0.093 0.000 2.504 437 L HA 0.376 4.374 4.340 -0.570 0.000 0.249 437 L C 0.126 177.155 176.870 0.265 0.000 1.120 437 L CA -0.380 54.548 54.840 0.146 0.000 0.997 437 L CB 0.684 42.773 42.059 0.051 0.000 1.349 437 L HN 0.614 nan 8.230 nan 0.000 0.439 438 K N 0.826 121.378 120.400 0.254 0.000 2.213 438 K HA 0.489 4.467 4.320 -0.570 0.000 0.270 438 K C 0.675 177.405 176.600 0.217 0.000 1.002 438 K CA -0.265 56.187 56.287 0.274 0.000 0.868 438 K CB 2.467 35.119 32.500 0.254 0.000 1.093 438 K HN 0.424 nan 8.250 nan 0.000 0.454 439 A N 3.673 126.510 122.820 0.029 0.000 2.147 439 A HA 0.194 4.172 4.320 -0.570 0.000 0.211 439 A C -0.183 177.061 177.584 -0.567 0.000 1.160 439 A CA 0.446 52.178 52.037 -0.508 0.000 0.781 439 A CB 0.079 18.389 19.000 -1.149 0.000 0.842 439 A HN 0.570 nan 8.150 nan 0.000 0.475 440 F N -0.291 119.668 119.950 0.015 0.000 2.507 440 F HA 0.601 4.791 4.527 -0.562 0.000 0.328 440 F C 0.375 176.076 175.800 -0.164 0.000 1.136 440 F CA -1.046 56.921 58.000 -0.056 0.000 0.930 440 F CB 1.690 40.646 39.000 -0.073 0.000 1.166 440 F HN 0.056 nan 8.300 nan 0.000 0.436 441 A N 2.195 124.778 122.820 -0.395 0.000 2.350 441 A HA 0.400 4.378 4.320 -0.570 0.000 0.293 441 A C 0.245 177.864 177.584 0.059 0.000 1.231 441 A CA -0.347 51.395 52.037 -0.492 0.000 0.883 441 A CB -0.147 18.138 19.000 -1.192 0.000 1.133 441 A HN 0.734 nan 8.150 nan 0.000 0.533 442 D N 1.388 121.864 120.400 0.126 0.000 2.535 442 D HA 0.060 4.358 4.640 -0.570 0.000 0.229 442 D C -0.323 176.097 176.300 0.200 0.000 1.238 442 D CA 0.196 54.299 54.000 0.171 0.000 0.824 442 D CB 0.304 41.190 40.800 0.143 0.000 1.045 442 D HN 0.458 nan 8.370 nan 0.000 0.500 443 D N 0.004 120.545 120.400 0.236 0.000 2.740 443 D HA 0.158 4.456 4.640 -0.570 0.000 0.301 443 D C -0.111 176.356 176.300 0.279 0.000 1.408 443 D CA -0.731 53.411 54.000 0.237 0.000 0.808 443 D CB -0.801 40.125 40.800 0.210 0.000 1.128 443 D HN 0.241 nan 8.370 nan 0.000 0.465 444 F N -0.617 119.385 119.950 0.087 0.000 2.631 444 F HA 0.806 4.995 4.527 -0.563 0.000 0.328 444 F C -1.332 174.537 175.800 0.115 0.000 1.067 444 F CA -1.932 56.158 58.000 0.150 0.000 0.969 444 F CB 1.797 40.855 39.000 0.097 0.000 1.332 444 F HN 0.010 nan 8.300 nan 0.000 0.490 445 C N 2.849 122.111 119.300 -0.063 0.000 2.832 445 C HA 0.502 4.619 4.460 -0.570 0.000 0.383 445 C C -0.631 174.560 174.990 0.335 0.000 1.046 445 C CA -0.410 58.503 59.018 -0.174 0.000 1.242 445 C CB -0.066 27.699 27.740 0.043 0.000 1.693 445 C HN 0.889 nan 8.230 nan 0.000 0.497 446 Y N 2.685 123.033 120.300 0.079 0.000 2.507 446 Y HA 0.311 4.516 4.550 -0.574 0.000 0.263 446 Y C 1.202 177.174 175.900 0.120 0.000 1.093 446 Y CA 0.497 58.707 58.100 0.183 0.000 1.285 446 Y CB -0.010 38.562 38.460 0.186 0.000 1.115 446 Y HN 0.691 nan 8.280 nan 0.000 0.533 447 N N 2.300 121.112 118.700 0.185 0.000 3.012 447 N HA 0.170 4.568 4.740 -0.570 0.000 0.270 447 N C -2.927 172.580 175.510 -0.005 0.000 1.469 447 N CA -1.390 51.709 53.050 0.081 0.000 0.928 447 N CB 0.870 39.365 38.487 0.013 0.000 1.219 447 N HN -0.065 nan 8.380 nan 0.000 0.492 448 P HA 0.116 nan 4.420 nan 0.000 0.276 448 P C -0.747 176.554 177.300 0.002 0.000 1.243 448 P CA 0.172 63.363 63.100 0.152 0.000 0.768 448 P CB 1.236 33.252 31.700 0.526 0.000 0.856 449 L N 2.944 123.969 121.223 -0.330 0.000 2.431 449 L HA 0.783 4.781 4.340 -0.570 0.000 0.266 449 L C 0.630 177.361 176.870 -0.231 0.000 0.978 449 L CA -0.469 54.246 54.840 -0.208 0.000 0.822 449 L CB 2.169 44.102 42.059 -0.211 0.000 1.310 449 L HN 0.713 nan 8.230 nan 0.000 0.409 450 G N 0.933 109.738 108.800 0.009 0.000 2.592 450 G HA2 0.343 3.961 3.960 -0.570 0.000 0.684 450 G HA3 0.343 3.961 3.960 -0.570 0.000 0.684 450 G C 0.319 175.401 174.900 0.304 0.000 1.291 450 G CA -0.274 44.889 45.100 0.105 0.000 0.891 450 G HN 1.397 nan 8.290 nan 0.000 0.544 451 G N -2.956 106.013 108.800 0.282 0.000 2.352 451 G HA2 0.084 3.702 3.960 -0.570 0.000 0.204 451 G HA3 0.084 3.702 3.960 -0.570 0.000 0.204 451 G C 0.590 175.581 174.900 0.151 0.000 1.004 451 G CA 1.045 46.327 45.100 0.302 0.000 0.648 451 G HN 2.174 nan 8.290 nan 0.000 0.491 452 C N 2.072 121.434 119.300 0.103 0.000 3.235 452 C HA 0.562 4.680 4.460 -0.570 0.000 0.198 452 C C 0.723 175.738 174.990 0.042 0.000 1.527 452 C CA -0.798 58.254 59.018 0.057 0.000 1.167 452 C CB -0.239 27.520 27.740 0.032 0.000 1.938 452 C HN 0.514 nan 8.230 nan 0.000 0.593 453 V N 2.157 122.097 119.914 0.042 0.000 2.617 453 V HA -0.057 3.721 4.120 -0.570 0.000 0.304 453 V C 0.665 176.755 176.094 -0.005 0.000 1.040 453 V CA 0.222 62.529 62.300 0.013 0.000 1.149 453 V CB 0.303 32.131 31.823 0.008 0.000 0.914 453 V HN 0.595 nan 8.190 nan 0.000 0.487 454 L N 5.535 126.741 121.223 -0.028 0.000 2.559 454 L HA 0.459 4.457 4.340 -0.570 0.000 0.274 454 L C 1.241 178.081 176.870 -0.051 0.000 1.205 454 L CA 1.871 56.684 54.840 -0.044 0.000 0.907 454 L CB 0.054 42.065 42.059 -0.080 0.000 1.153 454 L HN 1.009 nan 8.230 nan 0.000 0.490 455 G N 2.953 111.733 108.800 -0.035 0.000 2.199 455 G HA2 -0.273 3.344 3.960 -0.570 0.000 0.254 455 G HA3 -0.273 3.344 3.960 -0.570 0.000 0.254 455 G C 1.076 175.968 174.900 -0.012 0.000 0.982 455 G CA 0.537 45.619 45.100 -0.030 0.000 0.632 455 G HN 0.623 nan 8.290 nan 0.000 0.529 456 K N -0.609 119.788 120.400 -0.005 0.000 2.354 456 K HA 0.530 4.508 4.320 -0.570 0.000 0.210 456 K C 2.551 179.162 176.600 0.018 0.000 1.184 456 K CA 0.617 56.908 56.287 0.007 0.000 0.880 456 K CB 0.004 32.509 32.500 0.008 0.000 1.328 456 K HN 0.476 nan 8.250 nan 0.000 0.466 457 A N 1.791 124.625 122.820 0.023 0.000 2.195 457 A HA 0.054 4.032 4.320 -0.570 0.000 0.210 457 A C 1.081 178.683 177.584 0.030 0.000 1.165 457 A CA 0.875 52.930 52.037 0.030 0.000 0.806 457 A CB -0.040 18.981 19.000 0.035 0.000 0.847 457 A HN 0.457 nan 8.150 nan 0.000 0.482 458 T N -2.656 111.914 114.554 0.026 0.000 2.804 458 T HA 0.511 4.519 4.350 -0.570 0.000 0.290 458 T C -0.611 174.110 174.700 0.035 0.000 1.099 458 T CA -0.206 61.915 62.100 0.035 0.000 1.011 458 T CB 1.418 70.309 68.868 0.038 0.000 1.291 458 T HN 0.178 nan 8.240 nan 0.000 0.523 459 D N -0.195 120.241 120.400 0.060 0.000 2.425 459 D HA 0.183 4.481 4.640 -0.570 0.000 0.274 459 D C 0.330 176.650 176.300 0.033 0.000 1.242 459 D CA -0.469 53.571 54.000 0.067 0.000 1.060 459 D CB -0.164 40.707 40.800 0.118 0.000 1.112 459 D HN 0.481 nan 8.370 nan 0.000 0.561 460 D N -1.708 118.696 120.400 0.008 0.000 2.378 460 D HA -0.076 4.221 4.640 -0.570 0.000 0.227 460 D C 0.078 176.106 176.300 -0.454 0.000 1.012 460 D CA 0.704 54.582 54.000 -0.204 0.000 0.905 460 D CB -0.151 40.487 40.800 -0.269 0.000 0.895 460 D HN 0.391 nan 8.370 nan 0.000 0.532 461 Y N -1.112 119.193 120.300 0.008 0.000 2.707 461 Y HA 0.327 4.534 4.550 -0.570 0.000 0.249 461 Y C 1.645 177.557 175.900 0.020 0.000 1.166 461 Y CA -0.222 57.876 58.100 -0.004 0.000 1.184 461 Y CB 1.121 39.576 38.460 -0.008 0.000 1.240 461 Y HN -0.023 nan 8.280 nan 0.000 0.547 462 G N 0.999 109.872 108.800 0.121 0.000 2.157 462 G HA2 -0.284 3.333 3.960 -0.570 0.000 0.248 462 G HA3 -0.284 3.333 3.960 -0.570 0.000 0.248 462 G C 0.215 175.218 174.900 0.173 0.000 0.979 462 G CA -0.507 44.664 45.100 0.119 0.000 0.650 462 G HN 0.294 nan 8.290 nan 0.000 0.529 463 R N 0.519 121.143 120.500 0.208 0.000 2.296 463 R HA 0.387 4.385 4.340 -0.570 0.000 0.323 463 R C 0.621 176.958 176.300 0.061 0.000 1.067 463 R CA -0.422 55.782 56.100 0.174 0.000 0.946 463 R CB 1.200 31.615 30.300 0.192 0.000 0.991 463 R HN 0.119 nan 8.270 nan 0.000 0.448 464 V N 3.440 123.348 119.914 -0.010 0.000 2.557 464 V HA -0.037 3.741 4.120 -0.570 0.000 0.301 464 V C 1.004 177.133 176.094 0.058 0.000 1.026 464 V CA -0.053 62.252 62.300 0.010 0.000 1.137 464 V CB 0.554 32.355 31.823 -0.037 0.000 0.917 464 V HN 0.858 nan 8.190 nan 0.000 0.484 465 A N 4.658 127.513 122.820 0.058 0.000 2.546 465 A HA 0.491 4.468 4.320 -0.570 0.000 0.243 465 A C 1.565 179.179 177.584 0.049 0.000 1.063 465 A CA 0.588 52.653 52.037 0.046 0.000 0.757 465 A CB -0.403 18.617 19.000 0.032 0.000 0.991 465 A HN 2.144 nan 8.150 nan 0.000 0.503 466 G N 0.713 109.490 108.800 -0.037 0.000 2.234 466 G HA2 -0.227 3.391 3.960 -0.570 0.000 0.235 466 G HA3 -0.227 3.391 3.960 -0.570 0.000 0.235 466 G C -0.031 174.581 174.900 -0.479 0.000 0.997 466 G CA 0.608 45.575 45.100 -0.222 0.000 0.623 466 G HN 0.961 nan 8.290 nan 0.000 0.514 467 Y N 0.171 120.464 120.300 -0.011 0.000 2.605 467 Y HA 0.702 4.909 4.550 -0.570 0.000 0.343 467 Y C 0.362 176.249 175.900 -0.023 0.000 1.036 467 Y CA -1.030 57.074 58.100 0.007 0.000 1.065 467 Y CB 1.576 40.061 38.460 0.042 0.000 1.288 467 Y HN -0.029 nan 8.280 nan 0.000 0.481 468 K N 0.724 121.233 120.400 0.182 0.000 2.207 468 K HA 0.366 4.344 4.320 -0.570 0.000 0.255 468 K C -0.520 176.113 176.600 0.054 0.000 0.941 468 K CA -0.806 55.525 56.287 0.073 0.000 0.825 468 K CB 1.431 33.972 32.500 0.068 0.000 1.119 468 K HN 0.834 nan 8.250 nan 0.000 0.430 469 N N 0.273 118.889 118.700 -0.140 0.000 2.782 469 N HA -0.225 4.172 4.740 -0.570 0.000 0.251 469 N C -1.156 173.891 175.510 -0.772 0.000 1.101 469 N CA 0.103 53.003 53.050 -0.251 0.000 0.764 469 N CB -0.748 37.824 38.487 0.141 0.000 1.122 469 N HN 0.223 nan 8.380 nan 0.000 0.561 470 L N 1.370 121.967 121.223 -1.043 0.000 2.343 470 L HA 0.518 4.515 4.340 -0.570 0.000 0.278 470 L C -1.179 175.097 176.870 -0.991 0.000 0.996 470 L CA -0.813 53.446 54.840 -0.969 0.000 0.831 470 L CB 0.640 42.303 42.059 -0.660 0.000 1.232 470 L HN 0.044 nan 8.230 nan 0.000 0.413 471 Y N 3.398 123.452 120.300 -0.410 0.000 2.499 471 Y HA 0.756 4.963 4.550 -0.571 0.000 0.347 471 Y C -0.384 175.414 175.900 -0.169 0.000 0.987 471 Y CA -1.260 56.654 58.100 -0.309 0.000 1.044 471 Y CB 2.084 40.240 38.460 -0.507 0.000 1.245 471 Y HN 0.203 nan 8.280 nan 0.000 0.461 472 V N 1.171 121.139 119.914 0.090 0.000 2.495 472 V HA 0.387 4.165 4.120 -0.570 0.000 0.298 472 V C 0.215 176.370 176.094 0.101 0.000 1.031 472 V CA -0.319 62.021 62.300 0.066 0.000 0.871 472 V CB 1.753 33.592 31.823 0.026 0.000 0.988 472 V HN 1.020 nan 8.190 nan 0.000 0.432 473 T N -1.551 113.063 114.554 0.100 0.000 3.058 473 T HA 0.214 4.221 4.350 -0.570 0.000 0.278 473 T C 0.105 174.832 174.700 0.045 0.000 0.974 473 T CA 0.030 62.180 62.100 0.082 0.000 0.893 473 T CB 0.051 68.988 68.868 0.114 0.000 1.138 473 T HN 0.683 nan 8.240 nan 0.000 0.529 474 D N 0.856 121.284 120.400 0.047 0.000 2.570 474 D HA 0.483 4.780 4.640 -0.570 0.000 0.266 474 D C 1.851 178.178 176.300 0.046 0.000 1.182 474 D CA -0.126 53.903 54.000 0.049 0.000 1.088 474 D CB -0.272 40.562 40.800 0.056 0.000 1.186 474 D HN -0.020 nan 8.370 nan 0.000 0.618 475 G N -1.161 107.675 108.800 0.060 0.000 2.535 475 G HA2 -0.204 3.414 3.960 -0.570 0.000 0.218 475 G HA3 -0.204 3.414 3.960 -0.570 0.000 0.218 475 G C 1.300 176.234 174.900 0.056 0.000 1.122 475 G CA 1.239 46.372 45.100 0.054 0.000 0.769 475 G HN 0.515 nan 8.290 nan 0.000 0.549 476 S N 0.069 115.808 115.700 0.066 0.000 2.481 476 S HA 0.101 4.229 4.470 -0.570 0.000 0.231 476 S C 2.146 176.777 174.600 0.052 0.000 0.996 476 S CA 0.389 58.637 58.200 0.081 0.000 0.942 476 S CB -0.192 63.048 63.200 0.066 0.000 0.768 476 S HN 0.317 nan 8.310 nan 0.000 0.520 477 L N 0.530 121.769 121.223 0.027 0.000 2.217 477 L HA 0.256 4.254 4.340 -0.570 0.000 0.211 477 L C 0.794 177.651 176.870 -0.021 0.000 1.107 477 L CA 0.502 55.344 54.840 0.004 0.000 0.783 477 L CB -0.417 41.640 42.059 -0.004 0.000 0.919 477 L HN 0.299 nan 8.230 nan 0.000 0.442 478 I N 2.264 122.820 120.570 -0.023 0.000 2.496 478 I HA 0.069 3.897 4.170 -0.570 0.000 0.285 478 I C -1.674 174.406 176.117 -0.063 0.000 1.080 478 I CA -1.680 59.587 61.300 -0.054 0.000 1.404 478 I CB 0.735 38.708 38.000 -0.045 0.000 1.403 478 I HN -0.157 nan 8.210 nan 0.000 0.539 479 P HA 0.021 nan 4.420 nan 0.000 0.238 479 P C 0.924 178.177 177.300 -0.079 0.000 1.729 479 P CA 0.342 63.399 63.100 -0.072 0.000 1.055 479 P CB -0.007 31.638 31.700 -0.092 0.000 1.980 480 G N 0.881 109.608 108.800 -0.121 0.000 2.249 480 G HA2 -0.304 3.314 3.960 -0.570 0.000 0.269 480 G HA3 -0.304 3.314 3.960 -0.570 0.000 0.269 480 G C 0.228 175.031 174.900 -0.161 0.000 0.979 480 G CA 0.702 45.676 45.100 -0.210 0.000 0.644 480 G HN 0.815 nan 8.290 nan 0.000 0.546 481 S N -2.630 113.031 115.700 -0.065 0.000 2.542 481 S HA 0.580 4.708 4.470 -0.570 0.000 0.276 481 S C -0.101 174.548 174.600 0.081 0.000 1.148 481 S CA 0.435 58.656 58.200 0.035 0.000 0.886 481 S CB 1.824 65.130 63.200 0.177 0.000 1.109 481 S HN 1.118 nan 8.310 nan 0.000 0.458 482 V N 3.362 123.331 119.914 0.092 0.000 3.380 482 V HA 0.488 4.266 4.120 -0.570 0.000 0.277 482 V C 1.418 177.488 176.094 -0.039 0.000 1.590 482 V CA 0.972 63.326 62.300 0.089 0.000 1.019 482 V CB 0.249 32.072 31.823 -0.001 0.000 0.828 482 V HN 1.870 nan 8.190 nan 0.000 0.427 483 G N 0.832 109.432 108.800 -0.333 0.000 2.205 483 G HA2 -0.206 3.411 3.960 -0.570 0.000 0.261 483 G HA3 -0.206 3.411 3.960 -0.570 0.000 0.261 483 G C 0.321 174.627 174.900 -0.989 0.000 0.980 483 G CA 0.939 45.297 45.100 -1.237 0.000 0.632 483 G HN 1.633 nan 8.290 nan 0.000 0.533 484 V N -4.349 115.207 119.914 -0.597 0.000 3.203 484 V HA 0.654 4.432 4.120 -0.570 0.000 0.305 484 V C -0.103 175.816 176.094 -0.291 0.000 1.361 484 V CA -1.380 60.554 62.300 -0.610 0.000 1.066 484 V CB 1.047 32.392 31.823 -0.798 0.000 1.085 484 V HN 0.183 nan 8.190 nan 0.000 0.456 485 N N 2.843 121.412 118.700 -0.218 0.000 2.447 485 N HA 0.164 4.562 4.740 -0.570 0.000 0.263 485 N C -1.737 173.628 175.510 -0.241 0.000 1.226 485 N CA -0.190 52.765 53.050 -0.158 0.000 0.906 485 N CB 1.285 39.679 38.487 -0.155 0.000 1.060 485 N HN 0.673 nan 8.380 nan 0.000 0.468 486 P HA -0.135 nan 4.420 nan 0.000 0.225 486 P C 1.414 178.637 177.300 -0.129 0.000 1.156 486 P CA 0.881 63.907 63.100 -0.124 0.000 0.787 486 P CB -0.037 31.630 31.700 -0.054 0.000 0.802 487 F N 0.234 120.031 119.950 -0.255 0.000 2.202 487 F HA -0.101 4.083 4.527 -0.572 0.000 0.301 487 F C 1.742 177.315 175.800 -0.378 0.000 1.082 487 F CA 0.619 58.296 58.000 -0.538 0.000 1.313 487 F CB -2.000 36.312 39.000 -1.147 0.000 1.024 487 F HN -0.294 nan 8.300 nan 0.000 0.495 488 V N 0.773 120.631 119.914 -0.092 0.000 2.427 488 V HA -0.251 3.527 4.120 -0.570 0.000 0.248 488 V C 2.439 178.639 176.094 0.178 0.000 1.051 488 V CA 2.386 64.746 62.300 0.101 0.000 1.048 488 V CB -1.135 30.680 31.823 -0.013 0.000 0.666 488 V HN 0.520 nan 8.190 nan 0.000 0.456 489 T N 0.247 114.890 114.554 0.148 0.000 2.777 489 T HA -0.075 3.933 4.350 -0.570 0.000 0.266 489 T C 1.821 176.559 174.700 0.063 0.000 1.040 489 T CA 1.556 63.787 62.100 0.218 0.000 1.141 489 T CB -0.230 68.761 68.868 0.204 0.000 0.868 489 T HN 0.342 nan 8.240 nan 0.000 0.444 490 I N 1.211 121.798 120.570 0.028 0.000 2.226 490 I HA -0.179 3.649 4.170 -0.570 0.000 0.245 490 I C 2.676 178.791 176.117 -0.003 0.000 1.100 490 I CA 1.128 62.433 61.300 0.009 0.000 1.374 490 I CB -0.656 37.350 38.000 0.010 0.000 1.057 490 I HN 0.249 nan 8.210 nan 0.000 0.413 491 T N 0.717 115.282 114.554 0.019 0.000 2.737 491 T HA -0.112 3.896 4.350 -0.570 0.000 0.265 491 T C 2.088 176.769 174.700 -0.032 0.000 1.038 491 T CA 1.408 63.516 62.100 0.013 0.000 1.144 491 T CB -0.318 68.624 68.868 0.124 0.000 0.866 491 T HN 0.461 nan 8.240 nan 0.000 0.434 492 A N 1.172 123.954 122.820 -0.063 0.000 1.902 492 A HA 0.012 3.990 4.320 -0.570 0.000 0.217 492 A C 2.237 179.646 177.584 -0.290 0.000 1.181 492 A CA 1.160 53.063 52.037 -0.224 0.000 0.623 492 A CB -0.826 17.782 19.000 -0.654 0.000 0.818 492 A HN 0.375 nan 8.150 nan 0.000 0.443 493 L N -0.338 120.741 121.223 -0.241 0.000 2.083 493 L HA -0.048 3.950 4.340 -0.570 0.000 0.209 493 L C 2.721 179.480 176.870 -0.185 0.000 1.083 493 L CA 1.936 56.654 54.840 -0.204 0.000 0.752 493 L CB -0.675 41.329 42.059 -0.091 0.000 0.899 493 L HN 0.359 nan 8.230 nan 0.000 0.433 494 A N -1.115 121.627 122.820 -0.130 0.000 1.933 494 A HA -0.165 3.813 4.320 -0.570 0.000 0.218 494 A C 2.157 179.658 177.584 -0.139 0.000 1.175 494 A CA 1.514 53.488 52.037 -0.105 0.000 0.628 494 A CB -0.468 18.477 19.000 -0.092 0.000 0.814 494 A HN 0.485 nan 8.150 nan 0.000 0.444 495 E N -0.366 119.743 120.200 -0.152 0.000 2.077 495 E HA -0.212 3.796 4.350 -0.570 0.000 0.193 495 E C 2.220 178.607 176.600 -0.355 0.000 0.989 495 E CA 1.285 57.615 56.400 -0.117 0.000 0.800 495 E CB -0.361 29.373 29.700 0.055 0.000 0.746 495 E HN 0.708 nan 8.360 nan 0.000 0.452 496 R N 1.072 121.112 120.500 -0.767 0.000 2.073 496 R HA -0.116 3.881 4.340 -0.570 0.000 0.234 496 R C 1.864 177.950 176.300 -0.356 0.000 1.134 496 R CA 1.835 57.245 56.100 -1.149 0.000 0.952 496 R CB -0.175 29.509 30.300 -1.027 0.000 0.850 496 R HN 0.188 nan 8.270 nan 0.000 0.433 497 N N -0.239 118.358 118.700 -0.173 0.000 2.080 497 N HA -0.159 4.239 4.740 -0.570 0.000 0.189 497 N C 1.831 177.325 175.510 -0.026 0.000 1.036 497 N CA 1.168 54.234 53.050 0.028 0.000 0.846 497 N CB -0.125 38.375 38.487 0.022 0.000 1.015 497 N HN 0.025 nan 8.380 nan 0.000 0.423 498 V N 1.871 121.743 119.914 -0.069 0.000 2.407 498 V HA -0.242 3.536 4.120 -0.570 0.000 0.248 498 V C 2.221 178.259 176.094 -0.093 0.000 1.055 498 V CA 1.779 64.031 62.300 -0.081 0.000 1.049 498 V CB -0.339 31.420 31.823 -0.106 0.000 0.662 498 V HN 0.314 nan 8.190 nan 0.000 0.455 499 E N -0.278 119.877 120.200 -0.075 0.000 2.077 499 E HA -0.302 3.706 4.350 -0.570 0.000 0.193 499 E C 2.337 178.897 176.600 -0.066 0.000 0.989 499 E CA 1.541 57.919 56.400 -0.037 0.000 0.800 499 E CB -0.163 29.565 29.700 0.046 0.000 0.746 499 E HN 0.492 nan 8.360 nan 0.000 0.452 500 R N 0.516 120.954 120.500 -0.104 0.000 2.075 500 R HA -0.023 3.975 4.340 -0.570 0.000 0.232 500 R C 2.192 178.368 176.300 -0.206 0.000 1.126 500 R CA 1.319 57.294 56.100 -0.209 0.000 0.963 500 R CB -0.380 29.640 30.300 -0.467 0.000 0.858 500 R HN 0.273 nan 8.270 nan 0.000 0.435 501 I N 0.192 120.650 120.570 -0.186 0.000 2.226 501 I HA -0.257 3.570 4.170 -0.570 0.000 0.245 501 I C 1.637 177.654 176.117 -0.167 0.000 1.100 501 I CA 0.787 61.961 61.300 -0.210 0.000 1.374 501 I CB -0.218 37.554 38.000 -0.379 0.000 1.057 501 I HN 0.156 nan 8.210 nan 0.000 0.413 502 I N 0.918 121.403 120.570 -0.142 0.000 2.226 502 I HA -0.250 3.578 4.170 -0.570 0.000 0.245 502 I C 2.415 178.479 176.117 -0.089 0.000 1.100 502 I CA 1.669 62.895 61.300 -0.124 0.000 1.374 502 I CB -1.129 36.807 38.000 -0.106 0.000 1.057 502 I HN 0.257 nan 8.210 nan 0.000 0.413 503 K N 0.216 120.569 120.400 -0.078 0.000 2.025 503 K HA -0.160 3.818 4.320 -0.570 0.000 0.207 503 K C 2.151 178.722 176.600 -0.048 0.000 1.049 503 K CA 1.106 57.359 56.287 -0.056 0.000 0.933 503 K CB -0.027 32.440 32.500 -0.056 0.000 0.714 503 K HN 0.324 nan 8.250 nan 0.000 0.438 504 Q N 0.431 120.192 119.800 -0.065 0.000 2.165 504 Q HA -0.063 3.934 4.340 -0.570 0.000 0.197 504 Q C 1.300 177.304 176.000 0.007 0.000 0.952 504 Q CA 1.310 57.090 55.803 -0.039 0.000 0.848 504 Q CB 0.107 28.802 28.738 -0.072 0.000 0.931 504 Q HN 0.323 nan 8.270 nan 0.000 0.470 505 D N -0.168 120.241 120.400 0.015 0.000 2.323 505 D HA 0.046 4.344 4.640 -0.570 0.000 0.218 505 D C 0.951 177.318 176.300 0.112 0.000 0.973 505 D CA 0.200 54.263 54.000 0.104 0.000 0.890 505 D CB 0.423 41.341 40.800 0.196 0.000 1.011 505 D HN -0.073 nan 8.370 nan 0.000 0.499 506 V N 0.000 119.889 119.914 -0.042 0.000 2.409 506 V HA 0.000 3.778 4.120 -0.570 0.000 0.244 506 V CA 0.000 62.221 62.300 -0.132 0.000 1.235 506 V CB 0.000 31.612 31.823 -0.351 0.000 1.184 506 V HN 0.000 nan 8.190 nan 0.000 0.556