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 3gyi_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 AFADDFCYHP LGGCVLGKAT DATA SEQUENCE DDYGRVAGYK NLYVTDGSLI PGSVGVDPFV 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 3.590 3.960 -0.617 0.000 0.244 9 G C 0.000 174.981 174.900 0.135 0.000 0.946 9 G CA 0.000 45.150 45.100 0.084 0.000 0.502 10 Y N 0.656 120.966 120.300 0.016 0.000 2.391 10 Y HA 0.725 4.905 4.550 -0.616 0.000 0.341 10 Y C -1.040 174.875 175.900 0.026 0.000 0.965 10 Y CA -0.935 57.176 58.100 0.019 0.000 1.067 10 Y CB 2.170 40.636 38.460 0.010 0.000 1.199 10 Y HN 0.531 nan 8.280 nan 0.000 0.450 11 V N 8.507 127.949 119.914 -0.787 0.000 2.735 11 V HA 0.361 4.110 4.120 -0.617 0.000 0.310 11 V C -2.062 173.515 176.094 -0.863 0.000 1.061 11 V CA -2.044 59.840 62.300 -0.692 0.000 0.913 11 V CB 1.993 33.658 31.823 -0.264 0.000 1.005 11 V HN 0.652 nan 8.190 nan 0.000 0.428 12 P HA -0.103 nan 4.420 nan 0.000 0.214 12 P C 0.135 177.483 177.300 0.079 0.000 1.163 12 P CA 1.748 64.765 63.100 -0.139 0.000 0.889 12 P CB 0.281 32.026 31.700 0.075 0.000 0.790 13 A N -1.229 121.656 122.820 0.108 0.000 2.355 13 A HA 0.564 4.514 4.320 -0.617 0.000 0.317 13 A C -0.987 176.668 177.584 0.118 0.000 1.094 13 A CA -0.478 51.701 52.037 0.236 0.000 0.764 13 A CB 1.422 20.586 19.000 0.274 0.000 1.230 13 A HN -0.123 nan 8.150 nan 0.000 0.448 14 V N 2.229 122.251 119.914 0.179 0.000 2.555 14 V HA 0.524 4.274 4.120 -0.617 0.000 0.302 14 V C -0.495 175.705 176.094 0.177 0.000 1.038 14 V CA -0.495 61.871 62.300 0.109 0.000 0.887 14 V CB 1.828 33.694 31.823 0.071 0.000 0.991 14 V HN 0.670 nan 8.190 nan 0.000 0.434 15 V N 5.782 125.749 119.914 0.088 0.000 2.409 15 V HA 0.484 4.234 4.120 -0.617 0.000 0.291 15 V C -0.142 175.979 176.094 0.044 0.000 1.020 15 V CA -0.464 61.887 62.300 0.085 0.000 0.848 15 V CB 1.700 33.515 31.823 -0.013 0.000 0.990 15 V HN 0.661 nan 8.190 nan 0.000 0.430 16 I N 4.939 125.540 120.570 0.052 0.000 2.352 16 I HA 0.663 4.463 4.170 -0.617 0.000 0.290 16 I C 0.969 177.092 176.117 0.009 0.000 1.036 16 I CA 0.343 61.657 61.300 0.023 0.000 1.336 16 I CB 0.693 38.701 38.000 0.014 0.000 1.407 16 I HN 0.907 nan 8.210 nan 0.000 0.497 17 G N 4.468 113.267 108.800 -0.002 0.000 2.712 17 G HA2 -0.135 3.455 3.960 -0.617 0.000 0.683 17 G HA3 -0.135 3.455 3.960 -0.617 0.000 0.683 17 G C -0.019 174.863 174.900 -0.030 0.000 1.320 17 G CA -0.228 44.863 45.100 -0.016 0.000 0.847 17 G HN 0.871 nan 8.290 nan 0.000 0.553 18 T N -2.109 112.417 114.554 -0.046 0.000 3.604 18 T HA 0.645 4.625 4.350 -0.617 0.000 0.305 18 T C 1.111 175.736 174.700 -0.125 0.000 0.978 18 T CA 0.936 62.993 62.100 -0.072 0.000 0.999 18 T CB 0.291 69.128 68.868 -0.051 0.000 1.204 18 T HN 1.975 nan 8.240 nan 0.000 0.476 19 G N 0.480 109.209 108.800 -0.118 0.000 2.504 19 G HA2 0.444 4.034 3.960 -0.617 0.000 0.257 19 G HA3 0.444 4.034 3.960 -0.617 0.000 0.257 19 G C 0.290 175.037 174.900 -0.256 0.000 1.451 19 G CA -0.708 44.280 45.100 -0.188 0.000 1.059 19 G HN 0.232 nan 8.290 nan 0.000 0.550 20 Y N 0.514 120.743 120.300 -0.118 0.000 2.114 20 Y HA -0.050 4.129 4.550 -0.618 0.000 0.284 20 Y C 3.056 178.835 175.900 -0.202 0.000 1.143 20 Y CA 1.761 59.754 58.100 -0.178 0.000 1.135 20 Y CB -0.617 37.775 38.460 -0.114 0.000 0.980 20 Y HN 0.452 nan 8.280 nan 0.000 0.499 21 G N -0.488 108.329 108.800 0.028 0.000 2.418 21 G HA2 -0.253 3.337 3.960 -0.617 0.000 0.217 21 G HA3 -0.253 3.337 3.960 -0.617 0.000 0.217 21 G C 1.895 176.747 174.900 -0.081 0.000 1.158 21 G CA 1.073 46.154 45.100 -0.030 0.000 0.771 21 G HN 0.484 nan 8.290 nan 0.000 0.545 22 A N 1.170 123.946 122.820 -0.074 0.000 1.877 22 A HA 0.263 4.213 4.320 -0.617 0.000 0.216 22 A C 2.829 180.324 177.584 -0.148 0.000 1.186 22 A CA 2.347 54.331 52.037 -0.089 0.000 0.620 22 A CB -0.835 18.126 19.000 -0.066 0.000 0.822 22 A HN 0.795 nan 8.150 nan 0.000 0.443 23 A N -0.622 122.085 122.820 -0.188 0.000 1.898 23 A HA 0.025 3.975 4.320 -0.617 0.000 0.216 23 A C 2.240 179.690 177.584 -0.222 0.000 1.181 23 A CA 1.744 53.667 52.037 -0.190 0.000 0.620 23 A CB -0.946 17.920 19.000 -0.222 0.000 0.819 23 A HN 0.379 nan 8.150 nan 0.000 0.442 24 V N 1.058 120.726 119.914 -0.410 0.000 2.295 24 V HA -0.266 3.484 4.120 -0.617 0.000 0.246 24 V C 3.046 179.029 176.094 -0.184 0.000 1.049 24 V CA 2.512 64.587 62.300 -0.375 0.000 1.024 24 V CB -1.011 30.569 31.823 -0.405 0.000 0.648 24 V HN 0.814 nan 8.190 nan 0.000 0.447 25 S N 1.006 116.570 115.700 -0.227 0.000 2.383 25 S HA -0.122 3.978 4.470 -0.617 0.000 0.227 25 S C 2.108 176.496 174.600 -0.354 0.000 1.026 25 S CA 1.273 59.276 58.200 -0.329 0.000 0.981 25 S CB -0.570 62.357 63.200 -0.456 0.000 0.818 25 S HN 0.571 nan 8.310 nan 0.000 0.472 26 A N 2.044 124.708 122.820 -0.261 0.000 1.902 26 A HA 0.071 4.021 4.320 -0.617 0.000 0.217 26 A C 2.233 179.737 177.584 -0.133 0.000 1.181 26 A CA 1.566 53.481 52.037 -0.203 0.000 0.623 26 A CB -0.924 17.992 19.000 -0.139 0.000 0.818 26 A HN 0.533 nan 8.150 nan 0.000 0.443 27 L N -0.335 120.849 121.223 -0.065 0.000 2.012 27 L HA -0.158 3.812 4.340 -0.617 0.000 0.210 27 L C 2.346 179.189 176.870 -0.045 0.000 1.073 27 L CA 2.003 56.836 54.840 -0.010 0.000 0.748 27 L CB -0.522 41.604 42.059 0.111 0.000 0.891 27 L HN 0.236 nan 8.230 nan 0.000 0.431 28 R N -0.305 120.154 120.500 -0.068 0.000 2.092 28 R HA -0.020 3.950 4.340 -0.617 0.000 0.231 28 R C 2.330 178.556 176.300 -0.124 0.000 1.119 28 R CA 1.400 57.452 56.100 -0.080 0.000 0.970 28 R CB -1.137 29.115 30.300 -0.080 0.000 0.864 28 R HN 0.428 nan 8.270 nan 0.000 0.440 29 L N -0.171 120.937 121.223 -0.190 0.000 2.012 29 L HA -0.115 3.855 4.340 -0.617 0.000 0.210 29 L C 2.509 179.309 176.870 -0.116 0.000 1.073 29 L CA 1.734 56.458 54.840 -0.194 0.000 0.748 29 L CB -0.949 40.940 42.059 -0.284 0.000 0.891 29 L HN 0.295 nan 8.230 nan 0.000 0.431 30 G N -0.779 107.962 108.800 -0.099 0.000 2.422 30 G HA2 -0.224 3.366 3.960 -0.617 0.000 0.218 30 G HA3 -0.224 3.366 3.960 -0.617 0.000 0.218 30 G C 1.421 176.291 174.900 -0.049 0.000 1.146 30 G CA 0.514 45.575 45.100 -0.065 0.000 0.769 30 G HN 0.416 nan 8.290 nan 0.000 0.547 31 E N 0.393 120.563 120.200 -0.050 0.000 2.204 31 E HA 0.025 4.005 4.350 -0.617 0.000 0.194 31 E C 2.622 179.200 176.600 -0.037 0.000 0.989 31 E CA 0.604 56.981 56.400 -0.038 0.000 0.824 31 E CB -0.079 29.601 29.700 -0.034 0.000 0.756 31 E HN 0.429 nan 8.360 nan 0.000 0.477 32 A N 0.180 122.970 122.820 -0.049 0.000 2.238 32 A HA 0.235 4.185 4.320 -0.617 0.000 0.208 32 A C 1.661 179.227 177.584 -0.031 0.000 1.177 32 A CA 0.790 52.800 52.037 -0.045 0.000 0.804 32 A CB -0.256 18.704 19.000 -0.067 0.000 0.823 32 A HN 0.323 nan 8.150 nan 0.000 0.482 33 G N -1.664 107.120 108.800 -0.027 0.000 2.141 33 G HA2 -0.190 3.400 3.960 -0.617 0.000 0.242 33 G HA3 -0.190 3.400 3.960 -0.617 0.000 0.242 33 G C 0.079 174.978 174.900 -0.001 0.000 0.982 33 G CA 0.096 45.189 45.100 -0.011 0.000 0.662 33 G HN 0.807 nan 8.290 nan 0.000 0.527 34 V N 1.323 121.229 119.914 -0.013 0.000 2.368 34 V HA 0.451 4.201 4.120 -0.617 0.000 0.266 34 V C 0.785 176.878 176.094 -0.001 0.000 1.045 34 V CA -0.403 61.903 62.300 0.010 0.000 0.899 34 V CB 1.453 33.272 31.823 -0.007 0.000 1.006 34 V HN 0.471 nan 8.190 nan 0.000 0.470 35 Q N 3.991 123.797 119.800 0.010 0.000 2.255 35 Q HA 0.277 4.247 4.340 -0.617 0.000 0.280 35 Q C 0.059 176.044 176.000 -0.025 0.000 1.068 35 Q CA 0.628 56.423 55.803 -0.014 0.000 0.911 35 Q CB 0.773 29.503 28.738 -0.014 0.000 1.157 35 Q HN 0.957 nan 8.270 nan 0.000 0.380 36 T N 3.409 117.938 114.554 -0.041 0.000 2.916 36 T HA 0.559 4.539 4.350 -0.617 0.000 0.298 36 T C -1.742 172.925 174.700 -0.054 0.000 1.031 36 T CA -0.988 61.086 62.100 -0.044 0.000 0.993 36 T CB 0.850 69.678 68.868 -0.067 0.000 1.045 36 T HN 0.497 nan 8.240 nan 0.000 0.454 37 L N 5.344 126.537 121.223 -0.050 0.000 2.287 37 L HA 0.690 4.660 4.340 -0.617 0.000 0.287 37 L C -0.611 176.231 176.870 -0.047 0.000 1.022 37 L CA -0.598 54.208 54.840 -0.058 0.000 0.814 37 L CB 1.162 43.181 42.059 -0.067 0.000 1.217 37 L HN 0.803 nan 8.230 nan 0.000 0.420 38 M N 6.477 126.043 119.600 -0.057 0.000 2.209 38 M HA 0.422 4.532 4.480 -0.617 0.000 0.355 38 M C -1.024 175.243 176.300 -0.054 0.000 1.171 38 M CA -0.339 54.932 55.300 -0.047 0.000 1.069 38 M CB 1.321 33.890 32.600 -0.052 0.000 1.622 38 M HN 0.441 nan 8.290 nan 0.000 0.459 39 L N 2.802 124.008 121.223 -0.029 0.000 2.298 39 L HA 0.463 4.433 4.340 -0.617 0.000 0.284 39 L C -0.362 176.518 176.870 0.017 0.000 1.013 39 L CA -0.517 54.315 54.840 -0.014 0.000 0.824 39 L CB 1.242 43.312 42.059 0.019 0.000 1.221 39 L HN 0.595 nan 8.230 nan 0.000 0.418 40 E N 3.539 123.758 120.200 0.031 0.000 2.176 40 E HA 0.293 4.273 4.350 -0.617 0.000 0.267 40 E C 0.458 177.111 176.600 0.088 0.000 0.893 40 E CA -0.680 55.744 56.400 0.041 0.000 0.761 40 E CB 1.644 31.360 29.700 0.027 0.000 1.133 40 E HN 0.597 nan 8.360 nan 0.000 0.409 41 M N 2.052 121.695 119.600 0.070 0.000 2.319 41 M HA 0.286 4.396 4.480 -0.617 0.000 0.265 41 M C 0.926 177.359 176.300 0.222 0.000 1.068 41 M CA 0.947 56.324 55.300 0.129 0.000 1.118 41 M CB 0.022 32.671 32.600 0.082 0.000 1.395 41 M HN 0.336 nan 8.290 nan 0.000 0.435 42 G N 0.802 109.682 108.800 0.134 0.000 2.510 42 G HA2 0.408 3.998 3.960 -0.617 0.000 0.280 42 G HA3 0.408 3.998 3.960 -0.617 0.000 0.280 42 G C -0.866 174.132 174.900 0.163 0.000 1.386 42 G CA -0.770 44.491 45.100 0.269 0.000 1.047 42 G HN 0.440 nan 8.290 nan 0.000 0.527 43 Q N -1.172 118.672 119.800 0.074 0.000 2.260 43 Q HA 0.352 4.322 4.340 -0.617 0.000 0.238 43 Q C -0.749 175.132 176.000 -0.198 0.000 0.948 43 Q CA -0.778 54.882 55.803 -0.240 0.000 0.895 43 Q CB 2.063 30.335 28.738 -0.777 0.000 1.218 43 Q HN 0.313 nan 8.270 nan 0.000 0.470 44 L N 1.636 122.745 121.223 -0.191 0.000 2.325 44 L HA 0.149 4.119 4.340 -0.617 0.000 0.284 44 L C -1.357 175.396 176.870 -0.195 0.000 1.089 44 L CA 0.247 55.031 54.840 -0.093 0.000 0.836 44 L CB 0.053 42.074 42.059 -0.064 0.000 1.184 44 L HN 0.491 nan 8.230 nan 0.000 0.444 45 W N 6.602 127.903 121.300 0.002 0.000 2.247 45 W HA 0.281 4.573 4.660 -0.613 0.000 0.394 45 W C 0.618 177.035 176.519 -0.169 0.000 0.939 45 W CA -0.378 56.917 57.345 -0.083 0.000 1.548 45 W CB 0.047 29.511 29.460 0.007 0.000 1.610 45 W HN 0.776 nan 8.180 nan 0.000 0.336 46 N N -0.049 118.621 118.700 -0.049 0.000 2.142 46 N HA 0.022 4.392 4.740 -0.617 0.000 0.233 46 N C -0.310 175.152 175.510 -0.080 0.000 1.335 46 N CA -0.184 52.828 53.050 -0.062 0.000 0.837 46 N CB 0.096 38.559 38.487 -0.040 0.000 1.238 46 N HN 0.086 nan 8.380 nan 0.000 0.501 47 Q N 1.255 120.998 119.800 -0.095 0.000 2.306 47 Q HA 0.555 4.524 4.340 -0.617 0.000 0.265 47 Q C -2.653 173.311 176.000 -0.061 0.000 1.022 47 Q CA -1.793 53.965 55.803 -0.074 0.000 0.853 47 Q CB 2.125 30.815 28.738 -0.079 0.000 1.327 47 Q HN 0.165 nan 8.270 nan 0.000 0.449 48 P HA 0.117 nan 4.420 nan 0.000 0.271 48 P C 0.009 177.297 177.300 -0.020 0.000 1.216 48 P CA 0.043 63.125 63.100 -0.031 0.000 0.776 48 P CB 0.677 32.365 31.700 -0.019 0.000 0.881 49 G N 2.807 111.603 108.800 -0.007 0.000 2.510 49 G HA2 0.290 3.880 3.960 -0.617 0.000 0.280 49 G HA3 0.290 3.880 3.960 -0.617 0.000 0.280 49 G C -1.695 173.198 174.900 -0.012 0.000 1.386 49 G CA -1.254 43.842 45.100 -0.006 0.000 1.047 49 G HN 0.230 nan 8.290 nan 0.000 0.527 50 P HA -0.025 nan 4.420 nan 0.000 0.221 50 P C 0.704 178.001 177.300 -0.005 0.000 1.145 50 P CA 1.424 64.512 63.100 -0.020 0.000 0.795 50 P CB 0.159 31.840 31.700 -0.032 0.000 0.775 51 D N -2.840 117.563 120.400 0.006 0.000 2.363 51 D HA 0.171 4.441 4.640 -0.617 0.000 0.214 51 D C 1.390 177.705 176.300 0.025 0.000 1.093 51 D CA 0.220 54.231 54.000 0.019 0.000 0.837 51 D CB -0.766 40.052 40.800 0.030 0.000 0.948 51 D HN 0.161 nan 8.370 nan 0.000 0.507 52 G N -0.022 108.787 108.800 0.016 0.000 2.179 52 G HA2 -0.284 3.306 3.960 -0.617 0.000 0.260 52 G HA3 -0.284 3.306 3.960 -0.617 0.000 0.260 52 G C 0.030 174.942 174.900 0.021 0.000 0.977 52 G CA 0.032 45.143 45.100 0.018 0.000 0.641 52 G HN 0.428 nan 8.290 nan 0.000 0.533 53 N N -0.568 118.146 118.700 0.022 0.000 2.443 53 N HA 0.623 4.992 4.740 -0.617 0.000 0.293 53 N C 1.619 177.111 175.510 -0.029 0.000 1.159 53 N CA -0.519 52.538 53.050 0.012 0.000 0.904 53 N CB 1.371 39.890 38.487 0.053 0.000 1.214 53 N HN 0.015 nan 8.380 nan 0.000 0.513 54 I N 0.048 120.545 120.570 -0.121 0.000 2.202 54 I HA -0.106 3.694 4.170 -0.617 0.000 0.242 54 I C 0.081 176.056 176.117 -0.237 0.000 1.091 54 I CA 1.392 62.531 61.300 -0.268 0.000 1.368 54 I CB 0.021 37.682 38.000 -0.565 0.000 1.058 54 I HN 0.291 nan 8.210 nan 0.000 0.410 55 F N -0.759 119.233 119.950 0.070 0.000 2.507 55 F HA 0.357 4.514 4.527 -0.616 0.000 0.327 55 F C 0.446 176.270 175.800 0.040 0.000 1.068 55 F CA -1.393 56.616 58.000 0.016 0.000 0.965 55 F CB 0.543 39.502 39.000 -0.068 0.000 1.192 55 F HN -0.142 nan 8.300 nan 0.000 0.476 56 C N 1.484 120.939 119.300 0.258 0.000 2.700 56 C HA 0.549 4.639 4.460 -0.617 0.000 0.397 56 C C 1.088 176.230 174.990 0.253 0.000 1.301 56 C CA -0.438 58.699 59.018 0.198 0.000 2.219 56 C CB -0.182 27.642 27.740 0.140 0.000 2.699 56 C HN 0.956 nan 8.230 nan 0.000 0.669 57 G N 1.115 110.039 108.800 0.206 0.000 2.511 57 G HA2 0.498 4.088 3.960 -0.617 0.000 0.316 57 G HA3 0.498 4.088 3.960 -0.617 0.000 0.316 57 G C 0.322 175.385 174.900 0.272 0.000 1.210 57 G CA -0.617 44.597 45.100 0.190 0.000 0.969 57 G HN 0.632 nan 8.290 nan 0.000 0.492 58 M N -0.168 119.518 119.600 0.143 0.000 2.319 58 M HA 0.126 4.236 4.480 -0.617 0.000 0.265 58 M C 2.212 178.606 176.300 0.157 0.000 1.068 58 M CA 1.035 56.417 55.300 0.138 0.000 1.118 58 M CB -0.290 32.280 32.600 -0.050 0.000 1.395 58 M HN 0.391 nan 8.290 nan 0.000 0.435 59 L N 0.218 121.505 121.223 0.107 0.000 2.418 59 L HA -0.007 3.963 4.340 -0.617 0.000 0.218 59 L C 0.611 177.532 176.870 0.085 0.000 1.125 59 L CA 0.308 55.199 54.840 0.085 0.000 0.835 59 L CB -0.667 41.430 42.059 0.064 0.000 0.953 59 L HN 0.420 nan 8.230 nan 0.000 0.454 60 N N -0.807 117.955 118.700 0.103 0.000 2.642 60 N HA 0.210 4.580 4.740 -0.617 0.000 0.308 60 N C -2.891 172.656 175.510 0.061 0.000 1.914 60 N CA -1.639 51.453 53.050 0.071 0.000 0.893 60 N CB -0.053 38.469 38.487 0.060 0.000 1.322 60 N HN -0.017 nan 8.380 nan 0.000 0.490 61 P HA 0.151 nan 4.420 nan 0.000 0.271 61 P C -0.601 176.651 177.300 -0.081 0.000 1.216 61 P CA 0.391 63.455 63.100 -0.060 0.000 0.776 61 P CB 1.177 32.837 31.700 -0.066 0.000 0.881 62 D N 1.135 121.457 120.400 -0.130 0.000 2.958 62 D HA 0.139 4.409 4.640 -0.617 0.000 0.306 62 D C 1.150 177.372 176.300 -0.130 0.000 1.226 62 D CA -0.709 53.228 54.000 -0.105 0.000 1.032 62 D CB 0.144 40.895 40.800 -0.082 0.000 1.400 62 D HN 0.272 nan 8.370 nan 0.000 0.587 63 K N -0.012 120.301 120.400 -0.145 0.000 2.160 63 K HA -0.146 3.804 4.320 -0.617 0.000 0.206 63 K C 1.586 178.181 176.600 -0.008 0.000 1.047 63 K CA 0.983 57.185 56.287 -0.142 0.000 0.930 63 K CB -0.250 32.061 32.500 -0.315 0.000 0.720 63 K HN 0.226 nan 8.250 nan 0.000 0.450 64 R N 1.283 121.786 120.500 0.005 0.000 2.241 64 R HA -0.061 3.908 4.340 -0.617 0.000 0.224 64 R C 2.443 178.822 176.300 0.131 0.000 1.101 64 R CA 1.400 57.674 56.100 0.289 0.000 0.995 64 R CB -0.277 30.207 30.300 0.306 0.000 0.870 64 R HN 0.515 nan 8.270 nan 0.000 0.463 65 S N -0.864 114.755 115.700 -0.135 0.000 2.481 65 S HA -0.001 4.099 4.470 -0.617 0.000 0.231 65 S C 0.848 175.369 174.600 -0.131 0.000 0.996 65 S CA 0.098 58.024 58.200 -0.457 0.000 0.942 65 S CB 0.328 62.855 63.200 -1.122 0.000 0.768 65 S HN 0.076 nan 8.310 nan 0.000 0.520 66 S N 0.093 115.810 115.700 0.028 0.000 2.547 66 S HA 0.408 4.508 4.470 -0.617 0.000 0.281 66 S C -1.661 173.037 174.600 0.163 0.000 1.118 66 S CA -0.817 57.448 58.200 0.108 0.000 0.947 66 S CB 0.998 64.224 63.200 0.044 0.000 1.053 66 S HN 0.548 nan 8.310 nan 0.000 0.482 67 W N 6.772 128.097 121.300 0.042 0.000 2.507 67 W HA 0.298 4.587 4.660 -0.618 0.000 0.334 67 W C -1.095 175.474 176.519 0.083 0.000 1.165 67 W CA -0.552 56.811 57.345 0.031 0.000 1.460 67 W CB -0.452 29.098 29.460 0.151 0.000 1.404 67 W HN 0.880 nan 8.180 nan 0.000 0.435 68 F N 3.543 123.339 119.950 -0.256 0.000 2.891 68 F HA -0.336 3.821 4.527 -0.616 0.000 0.272 68 F C 0.362 176.131 175.800 -0.052 0.000 1.004 68 F CA 1.093 58.948 58.000 -0.243 0.000 0.938 68 F CB -1.106 37.633 39.000 -0.436 0.000 0.939 68 F HN 0.157 nan 8.300 nan 0.000 0.833 69 K N 0.571 120.997 120.400 0.044 0.000 2.350 69 K HA 0.483 4.433 4.320 -0.617 0.000 0.241 69 K C 0.718 177.341 176.600 0.037 0.000 0.994 69 K CA -0.666 55.661 56.287 0.066 0.000 0.839 69 K CB 1.112 33.657 32.500 0.076 0.000 1.244 69 K HN 0.109 nan 8.250 nan 0.000 0.443 70 N N 0.182 118.908 118.700 0.042 0.000 2.203 70 N HA 0.036 4.406 4.740 -0.617 0.000 0.207 70 N C -0.189 175.336 175.510 0.026 0.000 1.130 70 N CA -0.160 52.908 53.050 0.030 0.000 0.861 70 N CB 0.718 39.225 38.487 0.033 0.000 1.005 70 N HN 0.440 nan 8.380 nan 0.000 0.507 71 R N -0.001 120.520 120.500 0.035 0.000 2.566 71 R HA 0.260 4.230 4.340 -0.617 0.000 0.271 71 R C -0.979 175.349 176.300 0.045 0.000 1.071 71 R CA -0.441 55.682 56.100 0.038 0.000 0.915 71 R CB 1.088 31.419 30.300 0.052 0.000 1.228 71 R HN 0.190 nan 8.270 nan 0.000 0.449 72 T N -0.149 114.424 114.554 0.032 0.000 2.856 72 T HA 0.179 4.159 4.350 -0.617 0.000 0.306 72 T C 0.039 174.803 174.700 0.107 0.000 1.062 72 T CA -0.433 61.690 62.100 0.038 0.000 1.083 72 T CB 1.144 70.011 68.868 -0.001 0.000 0.984 72 T HN 0.650 nan 8.240 nan 0.000 0.542 73 E N 0.405 120.703 120.200 0.164 0.000 2.256 73 E HA 0.563 4.543 4.350 -0.617 0.000 0.268 73 E C -0.543 176.228 176.600 0.285 0.000 0.877 73 E CA -1.222 55.319 56.400 0.235 0.000 0.757 73 E CB 1.564 31.414 29.700 0.250 0.000 1.183 73 E HN 0.968 nan 8.360 nan 0.000 0.418 74 A N 4.958 127.947 122.820 0.282 0.000 2.498 74 A HA 0.325 4.275 4.320 -0.617 0.000 0.239 74 A C -2.208 175.525 177.584 0.247 0.000 1.068 74 A CA -0.990 51.197 52.037 0.250 0.000 0.766 74 A CB -0.349 18.796 19.000 0.241 0.000 1.003 74 A HN 0.572 nan 8.150 nan 0.000 0.497 75 P HA 0.081 nan 4.420 nan 0.000 0.265 75 P C -0.173 177.196 177.300 0.115 0.000 1.187 75 P CA -0.213 62.938 63.100 0.085 0.000 0.766 75 P CB 0.256 31.941 31.700 -0.025 0.000 0.820 76 L N 3.453 124.722 121.223 0.077 0.000 2.559 76 L HA 0.215 4.185 4.340 -0.617 0.000 0.274 76 L C 1.492 178.428 176.870 0.111 0.000 1.205 76 L CA 2.177 57.065 54.840 0.079 0.000 0.907 76 L CB -1.079 40.889 42.059 -0.152 0.000 1.153 76 L HN 0.806 nan 8.230 nan 0.000 0.490 77 G N 2.430 111.352 108.800 0.204 0.000 2.232 77 G HA2 -0.262 3.328 3.960 -0.617 0.000 0.226 77 G HA3 -0.262 3.328 3.960 -0.617 0.000 0.226 77 G C 0.805 175.787 174.900 0.138 0.000 0.996 77 G CA 0.279 45.425 45.100 0.078 0.000 0.626 77 G HN 0.658 nan 8.290 nan 0.000 0.509 78 S N -0.232 115.593 115.700 0.210 0.000 2.730 78 S HA 0.360 4.460 4.470 -0.617 0.000 0.244 78 S C 1.134 175.906 174.600 0.285 0.000 1.022 78 S CA 0.352 58.759 58.200 0.346 0.000 1.014 78 S CB 0.100 63.437 63.200 0.227 0.000 0.963 78 S HN 0.520 nan 8.310 nan 0.000 0.540 79 F N 2.878 122.865 119.950 0.062 0.000 2.111 79 F HA -0.210 3.947 4.527 -0.617 0.000 0.300 79 F C 1.552 177.271 175.800 -0.135 0.000 1.088 79 F CA 1.652 59.648 58.000 -0.007 0.000 1.243 79 F CB -0.261 38.731 39.000 -0.013 0.000 0.996 79 F HN 0.201 nan 8.300 nan 0.000 0.483 80 L N -1.306 119.767 121.223 -0.250 0.000 2.191 80 L HA -0.235 3.735 4.340 -0.617 0.000 0.212 80 L C 1.917 178.272 176.870 -0.859 0.000 1.103 80 L CA 0.957 55.358 54.840 -0.732 0.000 0.769 80 L CB -0.577 40.695 42.059 -1.311 0.000 0.908 80 L HN 0.392 nan 8.230 nan 0.000 0.438 81 W N -1.702 119.540 121.300 -0.098 0.000 2.871 81 W HA 0.208 4.702 4.660 -0.275 0.000 0.267 81 W C 1.710 178.163 176.519 -0.111 0.000 1.180 81 W CA -0.027 57.263 57.345 -0.092 0.000 1.463 81 W CB 0.312 29.729 29.460 -0.070 0.000 0.966 81 W HN 0.055 nan 8.180 nan 0.000 0.605 82 L N 0.044 121.303 121.223 0.059 0.000 2.766 82 L HA 0.056 4.026 4.340 -0.617 0.000 0.242 82 L C 1.661 178.466 176.870 -0.107 0.000 1.136 82 L CA 0.271 55.122 54.840 0.018 0.000 0.933 82 L CB -0.132 41.978 42.059 0.085 0.000 1.241 82 L HN -0.221 nan 8.230 nan 0.000 0.522 83 D N 0.496 120.686 120.400 -0.349 0.000 2.182 83 D HA -0.194 4.076 4.640 -0.617 0.000 0.201 83 D C 2.122 178.282 176.300 -0.234 0.000 0.986 83 D CA 0.946 54.663 54.000 -0.471 0.000 0.847 83 D CB 0.249 40.368 40.800 -1.135 0.000 0.942 83 D HN 0.055 nan 8.370 nan 0.000 0.467 84 V N 0.113 119.922 119.914 -0.174 0.000 2.720 84 V HA -0.154 3.596 4.120 -0.617 0.000 0.256 84 V C 2.094 178.161 176.094 -0.044 0.000 1.082 84 V CA 1.845 64.090 62.300 -0.092 0.000 1.101 84 V CB -0.125 31.660 31.823 -0.064 0.000 0.693 84 V HN 0.356 nan 8.190 nan 0.000 0.479 85 V N -1.778 118.120 119.914 -0.027 0.000 3.649 85 V HA 0.286 4.036 4.120 -0.617 0.000 0.275 85 V C 0.904 177.003 176.094 0.009 0.000 1.281 85 V CA -0.160 62.142 62.300 0.004 0.000 1.143 85 V CB -0.981 30.860 31.823 0.030 0.000 0.892 85 V HN 0.494 nan 8.190 nan 0.000 0.441 86 N N 3.387 122.086 118.700 -0.002 0.000 2.508 86 N HA 0.386 4.756 4.740 -0.617 0.000 0.264 86 N C 0.053 175.569 175.510 0.010 0.000 1.216 86 N CA 0.165 53.225 53.050 0.017 0.000 0.943 86 N CB 0.962 39.467 38.487 0.030 0.000 1.113 86 N HN 0.795 nan 8.380 nan 0.000 0.447 87 R N -0.232 120.274 120.500 0.011 0.000 2.739 87 R HA 0.437 4.407 4.340 -0.617 0.000 0.271 87 R C -1.119 175.184 176.300 0.005 0.000 1.010 87 R CA -0.946 55.157 56.100 0.004 0.000 0.897 87 R CB 0.702 30.998 30.300 -0.006 0.000 1.236 87 R HN 0.218 nan 8.270 nan 0.000 0.466 88 N N 1.194 119.896 118.700 0.004 0.000 2.518 88 N HA 0.326 4.696 4.740 -0.617 0.000 0.266 88 N C -0.165 175.337 175.510 -0.012 0.000 1.196 88 N CA -0.045 53.007 53.050 0.003 0.000 0.947 88 N CB 0.677 39.167 38.487 0.005 0.000 1.098 88 N HN 0.569 nan 8.380 nan 0.000 0.450 89 I N -2.599 117.963 120.570 -0.014 0.000 2.994 89 I HA 0.465 4.265 4.170 -0.617 0.000 0.306 89 I C -0.893 175.209 176.117 -0.025 0.000 1.195 89 I CA -1.177 60.103 61.300 -0.034 0.000 1.001 89 I CB 1.963 39.934 38.000 -0.048 0.000 1.244 89 I HN 0.025 nan 8.210 nan 0.000 0.437 90 D N 4.251 124.628 120.400 -0.038 0.000 2.458 90 D HA 0.192 4.462 4.640 -0.617 0.000 0.243 90 D C -2.390 173.904 176.300 -0.011 0.000 1.146 90 D CA -0.777 53.212 54.000 -0.018 0.000 0.877 90 D CB 0.380 41.164 40.800 -0.026 0.000 1.176 90 D HN 0.351 nan 8.370 nan 0.000 0.461 91 P HA 0.086 nan 4.420 nan 0.000 0.267 91 P C -0.978 176.240 177.300 -0.137 0.000 1.209 91 P CA 0.242 63.337 63.100 -0.007 0.000 0.763 91 P CB 0.145 31.942 31.700 0.162 0.000 0.816 92 Y N 2.241 122.048 120.300 -0.821 0.000 2.609 92 Y HA 0.548 4.728 4.550 -0.617 0.000 0.336 92 Y C -0.665 174.297 175.900 -1.564 0.000 1.129 92 Y CA -1.338 56.236 58.100 -0.878 0.000 1.040 92 Y CB 1.355 39.590 38.460 -0.374 0.000 1.310 92 Y HN 0.347 nan 8.280 nan 0.000 0.460 93 A N 3.026 124.808 122.820 -1.730 0.000 3.029 93 A HA 0.442 4.392 4.320 -0.617 0.000 0.251 93 A C 0.671 178.083 177.584 -0.286 0.000 1.749 93 A CA 0.481 51.842 52.037 -1.127 0.000 1.386 93 A CB -1.651 16.987 19.000 -0.603 0.000 1.043 93 A HN 0.959 nan 8.150 nan 0.000 0.638 94 G N -1.168 107.658 108.800 0.043 0.000 2.611 94 G HA2 0.305 3.895 3.960 -0.617 0.000 0.273 94 G HA3 0.305 3.895 3.960 -0.617 0.000 0.273 94 G C 0.944 176.229 174.900 0.642 0.000 1.305 94 G CA 0.254 45.682 45.100 0.546 0.000 1.010 94 G HN 0.511 nan 8.290 nan 0.000 0.509 95 V N -0.802 119.322 119.914 0.351 0.000 2.992 95 V HA 0.277 4.027 4.120 -0.617 0.000 0.250 95 V C 0.552 176.726 176.094 0.134 0.000 1.090 95 V CA 0.567 62.940 62.300 0.121 0.000 1.101 95 V CB -0.167 31.364 31.823 -0.487 0.000 0.743 95 V HN 0.391 nan 8.190 nan 0.000 0.468 96 L N 1.117 122.457 121.223 0.196 0.000 2.325 96 L HA 0.612 4.582 4.340 -0.617 0.000 0.281 96 L C -1.090 175.932 176.870 0.253 0.000 1.004 96 L CA -0.170 54.795 54.840 0.210 0.000 0.823 96 L CB 1.479 43.714 42.059 0.293 0.000 1.236 96 L HN 0.049 nan 8.230 nan 0.000 0.415 97 D N 4.279 124.790 120.400 0.186 0.000 2.414 97 D HA 0.254 4.524 4.640 -0.617 0.000 0.232 97 D C -0.617 175.711 176.300 0.047 0.000 1.070 97 D CA -0.328 53.771 54.000 0.165 0.000 0.839 97 D CB 1.036 41.852 40.800 0.026 0.000 1.079 97 D HN 0.473 nan 8.370 nan 0.000 0.521 98 R N 3.870 124.352 120.500 -0.031 0.000 2.210 98 R HA 0.327 4.297 4.340 -0.617 0.000 0.338 98 R C -0.987 175.221 176.300 -0.153 0.000 1.062 98 R CA -0.471 55.450 56.100 -0.299 0.000 0.902 98 R CB 0.515 30.584 30.300 -0.386 0.000 1.050 98 R HN 0.197 nan 8.270 nan 0.000 0.461 99 V N 5.858 125.666 119.914 -0.177 0.000 2.348 99 V HA 0.165 3.915 4.120 -0.617 0.000 0.270 99 V C -0.185 175.701 176.094 -0.347 0.000 1.037 99 V CA -0.793 61.370 62.300 -0.227 0.000 0.872 99 V CB 1.150 32.846 31.823 -0.213 0.000 1.002 99 V HN 0.723 nan 8.190 nan 0.000 0.464 100 N N 4.915 123.416 118.700 -0.332 0.000 2.426 100 N HA 0.412 4.782 4.740 -0.617 0.000 0.257 100 N C -0.725 174.571 175.510 -0.357 0.000 1.002 100 N CA -0.122 52.784 53.050 -0.240 0.000 0.942 100 N CB 1.260 39.686 38.487 -0.102 0.000 1.112 100 N HN 0.546 nan 8.380 nan 0.000 0.499 101 Y N -0.149 120.142 120.300 -0.014 0.000 2.565 101 Y HA 0.087 4.266 4.550 -0.617 0.000 0.325 101 Y C 1.768 177.669 175.900 0.002 0.000 1.221 101 Y CA -0.867 57.218 58.100 -0.025 0.000 1.316 101 Y CB 0.739 39.146 38.460 -0.088 0.000 1.404 101 Y HN 0.412 nan 8.280 nan 0.000 0.527 102 D N -0.302 120.209 120.400 0.185 0.000 2.104 102 D HA -0.193 4.077 4.640 -0.617 0.000 0.194 102 D C 0.581 176.952 176.300 0.117 0.000 0.994 102 D CA 1.974 56.041 54.000 0.112 0.000 0.830 102 D CB 0.165 41.013 40.800 0.080 0.000 0.959 102 D HN 0.597 nan 8.370 nan 0.000 0.452 103 Q N -1.364 118.532 119.800 0.161 0.000 2.089 103 Q HA 0.281 4.251 4.340 -0.617 0.000 0.248 103 Q C -0.915 175.244 176.000 0.266 0.000 0.828 103 Q CA -0.347 55.569 55.803 0.188 0.000 1.102 103 Q CB 1.333 30.171 28.738 0.166 0.000 1.221 103 Q HN 0.187 nan 8.270 nan 0.000 0.455 104 M N 0.186 119.917 119.600 0.217 0.000 2.365 104 M HA 0.352 4.462 4.480 -0.617 0.000 0.288 104 M C -1.872 174.528 176.300 0.166 0.000 1.152 104 M CA -0.146 55.259 55.300 0.175 0.000 0.948 104 M CB 2.405 35.033 32.600 0.045 0.000 1.729 104 M HN -0.161 nan 8.290 nan 0.000 0.487 105 S N 3.056 118.848 115.700 0.154 0.000 2.530 105 S HA 0.795 4.895 4.470 -0.617 0.000 0.322 105 S C -1.102 173.592 174.600 0.157 0.000 1.085 105 S CA -0.704 57.553 58.200 0.095 0.000 1.096 105 S CB 1.246 64.487 63.200 0.068 0.000 0.988 105 S HN 0.573 nan 8.310 nan 0.000 0.466 106 V N 4.313 124.303 119.914 0.126 0.000 2.398 106 V HA 0.375 4.125 4.120 -0.617 0.000 0.286 106 V C -1.068 175.121 176.094 0.159 0.000 1.026 106 V CA -0.711 61.743 62.300 0.257 0.000 0.868 106 V CB 0.478 32.505 31.823 0.339 0.000 0.982 106 V HN 0.772 nan 8.190 nan 0.000 0.443 107 Y N 4.145 124.634 120.300 0.315 0.000 2.313 107 Y HA 0.606 4.787 4.550 -0.614 0.000 0.332 107 Y C 0.321 176.329 175.900 0.182 0.000 1.071 107 Y CA -0.488 57.763 58.100 0.251 0.000 1.169 107 Y CB 1.740 40.367 38.460 0.277 0.000 1.192 107 Y HN 0.556 nan 8.280 nan 0.000 0.487 108 V N 0.043 120.090 119.914 0.222 0.000 3.049 108 V HA 0.963 4.713 4.120 -0.617 0.000 0.309 108 V C -0.028 176.109 176.094 0.072 0.000 1.148 108 V CA -1.106 61.278 62.300 0.140 0.000 0.990 108 V CB 1.575 33.452 31.823 0.090 0.000 1.039 108 V HN 0.859 nan 8.190 nan 0.000 0.430 109 G N 2.134 110.958 108.800 0.041 0.000 2.476 109 G HA2 0.630 4.220 3.960 -0.617 0.000 0.269 109 G HA3 0.630 4.220 3.960 -0.617 0.000 0.269 109 G C -0.445 174.424 174.900 -0.051 0.000 1.195 109 G CA -0.747 44.352 45.100 -0.001 0.000 0.843 109 G HN 0.724 nan 8.290 nan 0.000 0.545 110 R N 0.786 121.267 120.500 -0.032 0.000 2.468 110 R HA 0.671 4.641 4.340 -0.617 0.000 0.302 110 R C 0.051 176.474 176.300 0.204 0.000 1.041 110 R CA -0.236 55.809 56.100 -0.091 0.000 0.899 110 R CB 1.226 31.297 30.300 -0.380 0.000 1.167 110 R HN 1.108 nan 8.270 nan 0.000 0.483 111 G N 0.144 109.051 108.800 0.178 0.000 2.356 111 G HA2 -0.011 3.579 3.960 -0.617 0.000 0.300 111 G HA3 -0.011 3.579 3.960 -0.617 0.000 0.300 111 G C -1.471 173.549 174.900 0.200 0.000 1.331 111 G CA -0.952 44.364 45.100 0.360 0.000 0.905 111 G HN 0.164 nan 8.290 nan 0.000 0.587 112 V N 1.643 121.684 119.914 0.211 0.000 2.421 112 V HA 0.464 4.214 4.120 -0.617 0.000 0.271 112 V C 1.598 177.735 176.094 0.072 0.000 1.031 112 V CA 2.176 64.535 62.300 0.099 0.000 1.032 112 V CB 0.123 31.991 31.823 0.075 0.000 1.009 112 V HN 2.571 nan 8.190 nan 0.000 0.477 113 G N 3.422 112.208 108.800 -0.023 0.000 2.231 113 G HA2 0.062 3.652 3.960 -0.617 0.000 0.206 113 G HA3 0.062 3.652 3.960 -0.617 0.000 0.206 113 G C 0.863 175.668 174.900 -0.158 0.000 0.996 113 G CA 0.104 45.133 45.100 -0.118 0.000 0.645 113 G HN 1.854 nan 8.290 nan 0.000 0.498 114 G N -0.123 108.633 108.800 -0.073 0.000 2.614 114 G HA2 0.097 3.687 3.960 -0.617 0.000 0.303 114 G HA3 0.097 3.687 3.960 -0.617 0.000 0.303 114 G C 1.759 176.627 174.900 -0.053 0.000 1.270 114 G CA 1.875 46.939 45.100 -0.060 0.000 0.988 114 G HN 1.854 nan 8.290 nan 0.000 0.551 115 G N -0.692 108.111 108.800 0.004 0.000 2.498 115 G HA2 0.080 3.670 3.960 -0.617 0.000 0.219 115 G HA3 0.080 3.670 3.960 -0.617 0.000 0.219 115 G C 2.016 176.934 174.900 0.030 0.000 1.119 115 G CA 1.873 47.008 45.100 0.059 0.000 0.766 115 G HN 1.352 nan 8.290 nan 0.000 0.552 116 S N -0.226 115.428 115.700 -0.078 0.000 2.419 116 S HA -0.019 4.081 4.470 -0.617 0.000 0.235 116 S C 2.354 176.863 174.600 -0.152 0.000 1.019 116 S CA 0.726 58.823 58.200 -0.171 0.000 0.982 116 S CB -0.203 62.722 63.200 -0.457 0.000 0.789 116 S HN 0.412 nan 8.310 nan 0.000 0.490 117 L N 0.836 121.965 121.223 -0.157 0.000 2.046 117 L HA -0.066 3.904 4.340 -0.617 0.000 0.208 117 L C 2.198 178.884 176.870 -0.307 0.000 1.077 117 L CA 1.531 56.230 54.840 -0.235 0.000 0.747 117 L CB -0.363 41.556 42.059 -0.233 0.000 0.896 117 L HN 0.428 nan 8.230 nan 0.000 0.432 118 V N -3.788 116.002 119.914 -0.206 0.000 3.605 118 V HA 0.181 3.931 4.120 -0.617 0.000 0.284 118 V C 0.668 176.679 176.094 -0.138 0.000 1.386 118 V CA -0.291 61.887 62.300 -0.203 0.000 1.053 118 V CB -0.719 31.015 31.823 -0.147 0.000 0.857 118 V HN 0.469 nan 8.190 nan 0.000 0.436 119 N N 1.693 120.362 118.700 -0.052 0.000 2.379 119 N HA 0.389 4.759 4.740 -0.617 0.000 0.260 119 N C 1.169 176.716 175.510 0.061 0.000 1.254 119 N CA 0.254 53.326 53.050 0.038 0.000 0.958 119 N CB 0.718 39.307 38.487 0.169 0.000 1.208 119 N HN 0.074 nan 8.380 nan 0.000 0.532 120 G N -2.634 106.243 108.800 0.128 0.000 2.920 120 G HA2 0.306 3.896 3.960 -0.617 0.000 0.208 120 G HA3 0.306 3.896 3.960 -0.617 0.000 0.208 120 G C 0.944 175.964 174.900 0.201 0.000 1.159 120 G CA 0.065 45.248 45.100 0.139 0.000 0.784 120 G HN 1.284 nan 8.290 nan 0.000 0.535 121 G N -0.234 108.744 108.800 0.297 0.000 2.184 121 G HA2 -0.317 3.273 3.960 -0.617 0.000 0.264 121 G HA3 -0.317 3.273 3.960 -0.617 0.000 0.264 121 G C 0.602 175.730 174.900 0.380 0.000 0.975 121 G CA 0.325 45.650 45.100 0.375 0.000 0.642 121 G HN 0.417 nan 8.290 nan 0.000 0.536 122 M N 1.125 120.851 119.600 0.209 0.000 2.307 122 M HA 0.424 4.534 4.480 -0.617 0.000 0.346 122 M C 0.575 176.645 176.300 -0.383 0.000 1.552 122 M CA 0.855 56.159 55.300 0.007 0.000 1.116 122 M CB 0.869 33.490 32.600 0.034 0.000 1.889 122 M HN 0.520 nan 8.290 nan 0.000 0.460 123 A N 4.779 127.436 122.820 -0.272 0.000 2.328 123 A HA 0.643 4.593 4.320 -0.617 0.000 0.318 123 A C -0.971 176.450 177.584 -0.272 0.000 1.347 123 A CA -0.615 51.166 52.037 -0.427 0.000 0.842 123 A CB 0.966 19.927 19.000 -0.065 0.000 1.148 123 A HN 0.670 nan 8.150 nan 0.000 0.499 124 V N 2.819 122.515 119.914 -0.363 0.000 2.733 124 V HA 0.405 4.155 4.120 -0.617 0.000 0.306 124 V C -0.612 175.296 176.094 -0.309 0.000 1.084 124 V CA -0.599 61.542 62.300 -0.266 0.000 0.905 124 V CB 1.905 33.568 31.823 -0.267 0.000 1.010 124 V HN 0.916 nan 8.190 nan 0.000 0.424 125 E N 7.984 128.001 120.200 -0.306 0.000 2.338 125 E HA 0.308 4.288 4.350 -0.617 0.000 0.272 125 E C -2.356 174.023 176.600 -0.367 0.000 1.029 125 E CA -1.505 54.592 56.400 -0.504 0.000 0.872 125 E CB 1.130 30.451 29.700 -0.632 0.000 1.015 125 E HN 0.581 nan 8.360 nan 0.000 0.417 126 P HA -0.021 nan 4.420 nan 0.000 0.272 126 P C -0.622 176.668 177.300 -0.017 0.000 1.240 126 P CA -0.223 62.797 63.100 -0.132 0.000 0.791 126 P CB 0.621 32.368 31.700 0.078 0.000 0.978 127 K N 1.503 121.899 120.400 -0.006 0.000 2.451 127 K HA -0.039 3.911 4.320 -0.617 0.000 0.280 127 K C 1.635 178.313 176.600 0.131 0.000 1.020 127 K CA -0.052 56.267 56.287 0.053 0.000 1.008 127 K CB 0.258 32.804 32.500 0.077 0.000 0.917 127 K HN 0.309 nan 8.250 nan 0.000 0.478 128 R N 2.263 122.722 120.500 -0.068 0.000 2.091 128 R HA -0.171 3.799 4.340 -0.617 0.000 0.238 128 R C 1.875 178.203 176.300 0.048 0.000 1.136 128 R CA 2.373 58.325 56.100 -0.247 0.000 0.959 128 R CB -0.198 29.636 30.300 -0.777 0.000 0.856 128 R HN 0.834 nan 8.270 nan 0.000 0.437 129 S N -0.800 114.938 115.700 0.064 0.000 2.419 129 S HA -0.194 3.906 4.470 -0.617 0.000 0.233 129 S C 1.858 176.598 174.600 0.233 0.000 1.016 129 S CA 0.922 59.199 58.200 0.128 0.000 0.974 129 S CB -0.568 62.703 63.200 0.118 0.000 0.786 129 S HN 0.509 nan 8.310 nan 0.000 0.492 130 Y N 1.388 121.783 120.300 0.159 0.000 2.243 130 Y HA 0.104 4.285 4.550 -0.616 0.000 0.293 130 Y C 1.964 177.965 175.900 0.169 0.000 1.124 130 Y CA 0.426 58.637 58.100 0.186 0.000 1.159 130 Y CB -0.807 37.778 38.460 0.210 0.000 1.008 130 Y HN 0.287 nan 8.280 nan 0.000 0.527 131 F N 1.319 121.312 119.950 0.072 0.000 2.091 131 F HA -0.274 3.883 4.527 -0.617 0.000 0.299 131 F C 2.121 177.918 175.800 -0.005 0.000 1.103 131 F CA 2.398 60.425 58.000 0.045 0.000 1.228 131 F CB -0.246 38.919 39.000 0.275 0.000 0.984 131 F HN 0.150 nan 8.300 nan 0.000 0.477 132 E N -0.365 119.964 120.200 0.216 0.000 2.150 132 E HA -0.249 3.731 4.350 -0.617 0.000 0.193 132 E C 2.076 178.648 176.600 -0.046 0.000 0.985 132 E CA 1.146 57.609 56.400 0.104 0.000 0.814 132 E CB -0.387 29.394 29.700 0.136 0.000 0.752 132 E HN 0.623 nan 8.360 nan 0.000 0.466 133 E N 1.386 121.541 120.200 -0.075 0.000 2.077 133 E HA -0.186 3.794 4.350 -0.617 0.000 0.193 133 E C 2.284 178.746 176.600 -0.230 0.000 0.989 133 E CA 1.280 57.610 56.400 -0.116 0.000 0.800 133 E CB -0.105 29.557 29.700 -0.063 0.000 0.746 133 E HN 0.418 nan 8.360 nan 0.000 0.452 134 I N -1.851 118.470 120.570 -0.415 0.000 2.617 134 I HA 0.021 3.821 4.170 -0.617 0.000 0.256 134 I C 0.900 176.808 176.117 -0.348 0.000 1.167 134 I CA 0.706 61.759 61.300 -0.412 0.000 1.469 134 I CB 0.188 37.862 38.000 -0.544 0.000 1.098 134 I HN -0.060 nan 8.210 nan 0.000 0.436 135 L N 2.628 123.601 121.223 -0.417 0.000 2.594 135 L HA 0.388 4.358 4.340 -0.617 0.000 0.245 135 L C -1.782 174.960 176.870 -0.215 0.000 1.460 135 L CA -1.120 53.498 54.840 -0.369 0.000 0.865 135 L CB 1.024 42.715 42.059 -0.614 0.000 1.131 135 L HN -0.077 nan 8.230 nan 0.000 0.506 136 P HA -0.104 nan 4.420 nan 0.000 0.226 136 P C 1.063 178.347 177.300 -0.027 0.000 1.153 136 P CA 0.954 64.022 63.100 -0.054 0.000 0.777 136 P CB 0.194 31.868 31.700 -0.044 0.000 0.794 137 R N -0.587 119.883 120.500 -0.049 0.000 2.297 137 R HA 0.147 4.117 4.340 -0.617 0.000 0.197 137 R C 0.487 176.773 176.300 -0.024 0.000 0.943 137 R CA 0.051 56.133 56.100 -0.032 0.000 1.038 137 R CB 0.039 30.309 30.300 -0.049 0.000 0.957 137 R HN 0.078 nan 8.270 nan 0.000 0.484 138 V N 1.687 121.596 119.914 -0.009 0.000 2.509 138 V HA 0.026 3.776 4.120 -0.617 0.000 0.284 138 V C -0.209 175.972 176.094 0.145 0.000 1.047 138 V CA -0.787 61.540 62.300 0.045 0.000 0.952 138 V CB 1.526 33.406 31.823 0.094 0.000 0.988 138 V HN 0.055 nan 8.190 nan 0.000 0.469 139 D N 2.852 123.334 120.400 0.137 0.000 2.344 139 D HA 0.104 4.374 4.640 -0.617 0.000 0.253 139 D C 1.359 177.781 176.300 0.204 0.000 1.255 139 D CA 0.472 54.566 54.000 0.155 0.000 0.894 139 D CB 1.065 41.948 40.800 0.139 0.000 1.067 139 D HN 0.641 nan 8.370 nan 0.000 0.492 140 S N 1.606 117.447 115.700 0.234 0.000 2.428 140 S HA -0.138 3.962 4.470 -0.617 0.000 0.230 140 S C 1.832 176.578 174.600 0.244 0.000 1.014 140 S CA 0.538 58.906 58.200 0.279 0.000 0.957 140 S CB -0.009 63.375 63.200 0.307 0.000 0.784 140 S HN 0.340 nan 8.310 nan 0.000 0.499 141 S N 1.851 117.651 115.700 0.166 0.000 2.356 141 S HA -0.043 4.057 4.470 -0.617 0.000 0.223 141 S C 1.942 176.614 174.600 0.119 0.000 1.032 141 S CA 1.136 59.416 58.200 0.134 0.000 1.005 141 S CB -0.381 62.871 63.200 0.086 0.000 0.867 141 S HN 0.497 nan 8.310 nan 0.000 0.449 142 E N 0.793 121.059 120.200 0.111 0.000 2.150 142 E HA -0.034 3.946 4.350 -0.617 0.000 0.193 142 E C 2.034 178.661 176.600 0.045 0.000 0.985 142 E CA 0.631 57.064 56.400 0.054 0.000 0.814 142 E CB -0.226 29.563 29.700 0.148 0.000 0.752 142 E HN 0.406 nan 8.360 nan 0.000 0.466 143 M N -0.397 119.263 119.600 0.100 0.000 2.065 143 M HA -0.185 3.925 4.480 -0.617 0.000 0.259 143 M C 2.169 178.398 176.300 -0.118 0.000 1.069 143 M CA 1.561 56.797 55.300 -0.107 0.000 1.110 143 M CB -1.231 31.115 32.600 -0.424 0.000 1.328 143 M HN 0.152 nan 8.290 nan 0.000 0.405 144 Y N 0.535 120.886 120.300 0.086 0.000 2.337 144 Y HA -0.151 4.029 4.550 -0.617 0.000 0.293 144 Y C 2.221 178.155 175.900 0.058 0.000 1.123 144 Y CA 0.980 59.159 58.100 0.132 0.000 1.201 144 Y CB -0.389 38.096 38.460 0.041 0.000 1.011 144 Y HN 0.308 nan 8.280 nan 0.000 0.545 145 D N -0.788 119.676 120.400 0.106 0.000 2.162 145 D HA -0.059 4.211 4.640 -0.617 0.000 0.203 145 D C 2.064 178.323 176.300 -0.068 0.000 0.967 145 D CA 1.146 55.159 54.000 0.021 0.000 0.840 145 D CB 0.059 40.856 40.800 -0.004 0.000 0.972 145 D HN 0.263 nan 8.370 nan 0.000 0.482 146 R N -1.571 118.818 120.500 -0.184 0.000 2.342 146 R HA 0.040 4.010 4.340 -0.617 0.000 0.179 146 R C 1.827 177.911 176.300 -0.360 0.000 0.989 146 R CA 0.043 55.924 56.100 -0.366 0.000 1.125 146 R CB -0.033 29.855 30.300 -0.687 0.000 1.211 146 R HN 0.010 nan 8.270 nan 0.000 0.568 147 Y N -0.159 120.076 120.300 -0.109 0.000 2.243 147 Y HA 0.039 4.219 4.550 -0.617 0.000 0.293 147 Y C 1.866 177.642 175.900 -0.208 0.000 1.124 147 Y CA 0.848 58.838 58.100 -0.183 0.000 1.159 147 Y CB -0.370 37.919 38.460 -0.284 0.000 1.008 147 Y HN 0.011 nan 8.280 nan 0.000 0.527 148 F N 0.222 120.129 119.950 -0.072 0.000 2.102 148 F HA -0.107 4.050 4.527 -0.617 0.000 0.298 148 F C -0.441 175.329 175.800 -0.051 0.000 1.105 148 F CA 1.131 59.052 58.000 -0.131 0.000 1.239 148 F CB -2.071 36.734 39.000 -0.324 0.000 0.991 148 F HN 0.038 nan 8.300 nan 0.000 0.474 149 P HA -0.184 nan 4.420 nan 0.000 0.215 149 P C 1.601 178.947 177.300 0.076 0.000 1.153 149 P CA 1.698 64.849 63.100 0.086 0.000 0.853 149 P CB -0.165 31.561 31.700 0.044 0.000 0.788 150 R N -0.057 120.480 120.500 0.061 0.000 2.081 150 R HA -0.128 3.842 4.340 -0.617 0.000 0.235 150 R C 2.087 178.462 176.300 0.124 0.000 1.131 150 R CA 1.772 57.916 56.100 0.074 0.000 0.960 150 R CB -0.858 29.493 30.300 0.084 0.000 0.856 150 R HN 0.062 nan 8.270 nan 0.000 0.436 151 A N 1.240 124.158 122.820 0.165 0.000 1.877 151 A HA -0.176 3.774 4.320 -0.617 0.000 0.216 151 A C 1.839 179.550 177.584 0.212 0.000 1.186 151 A CA 1.639 53.816 52.037 0.234 0.000 0.620 151 A CB -0.639 18.481 19.000 0.200 0.000 0.822 151 A HN 0.406 nan 8.150 nan 0.000 0.443 152 N N 0.253 119.055 118.700 0.169 0.000 2.166 152 N HA -0.088 4.282 4.740 -0.617 0.000 0.186 152 N C 1.941 177.512 175.510 0.102 0.000 1.019 152 N CA 1.592 54.726 53.050 0.140 0.000 0.856 152 N CB -0.361 38.196 38.487 0.117 0.000 0.993 152 N HN 0.451 nan 8.380 nan 0.000 0.426 153 S N 0.611 116.355 115.700 0.073 0.000 2.387 153 S HA -0.040 4.060 4.470 -0.617 0.000 0.226 153 S C 1.836 176.426 174.600 -0.016 0.000 1.026 153 S CA 0.637 58.855 58.200 0.030 0.000 0.972 153 S CB -0.043 63.166 63.200 0.014 0.000 0.814 153 S HN 0.226 nan 8.310 nan 0.000 0.477 154 M N 1.363 120.939 119.600 -0.041 0.000 2.349 154 M HA 0.221 4.331 4.480 -0.617 0.000 0.266 154 M C 1.395 177.584 176.300 -0.184 0.000 1.076 154 M CA 1.215 56.373 55.300 -0.237 0.000 1.126 154 M CB -0.541 31.720 32.600 -0.566 0.000 1.392 154 M HN 0.187 nan 8.290 nan 0.000 0.440 155 L N -0.311 120.946 121.223 0.057 0.000 2.465 155 L HA -0.005 3.965 4.340 -0.617 0.000 0.224 155 L C 0.447 177.362 176.870 0.074 0.000 1.145 155 L CA 0.023 54.956 54.840 0.154 0.000 0.834 155 L CB -0.272 41.970 42.059 0.304 0.000 0.944 155 L HN 0.265 nan 8.230 nan 0.000 0.451 156 R N -0.382 120.137 120.500 0.032 0.000 3.332 156 R HA -0.122 3.848 4.340 -0.617 0.000 0.263 156 R C -0.473 175.852 176.300 0.041 0.000 1.053 156 R CA 0.142 56.253 56.100 0.018 0.000 0.705 156 R CB -2.770 27.520 30.300 -0.018 0.000 1.166 156 R HN 0.088 nan 8.270 nan 0.000 0.427 157 V N 1.595 121.549 119.914 0.066 0.000 2.673 157 V HA 0.039 3.789 4.120 -0.617 0.000 0.303 157 V C 1.228 177.323 176.094 0.001 0.000 1.046 157 V CA 0.733 63.058 62.300 0.041 0.000 1.126 157 V CB 0.920 32.765 31.823 0.036 0.000 0.934 157 V HN 0.660 nan 8.190 nan 0.000 0.487 158 N N 2.152 120.837 118.700 -0.025 0.000 2.774 158 N HA 0.519 4.889 4.740 -0.617 0.000 0.264 158 N C -1.349 174.150 175.510 -0.019 0.000 1.415 158 N CA -1.072 51.998 53.050 0.034 0.000 0.815 158 N CB 1.836 40.415 38.487 0.153 0.000 1.514 158 N HN 0.600 nan 8.380 nan 0.000 0.523 159 H N -0.082 119.136 119.070 0.246 0.000 2.600 159 H HA 0.370 4.556 4.556 -0.617 0.000 0.357 159 H C -0.609 174.644 175.328 -0.124 0.000 1.106 159 H CA -0.673 55.422 56.048 0.078 0.000 1.193 159 H CB 2.174 31.915 29.762 -0.035 0.000 1.594 159 H HN 0.508 nan 8.280 nan 0.000 0.526 160 I N 1.796 122.011 120.570 -0.592 0.000 2.692 160 I HA -0.113 3.687 4.170 -0.617 0.000 0.284 160 I C 0.316 176.217 176.117 -0.361 0.000 1.159 160 I CA 0.085 60.868 61.300 -0.861 0.000 1.423 160 I CB 0.369 37.636 38.000 -1.222 0.000 1.380 160 I HN 0.609 nan 8.210 nan 0.000 0.580 161 D N 4.151 124.481 120.400 -0.116 0.000 2.401 161 D HA -0.020 4.250 4.640 -0.617 0.000 0.254 161 D C 1.283 177.571 176.300 -0.021 0.000 1.192 161 D CA 0.326 54.309 54.000 -0.028 0.000 0.885 161 D CB 1.054 41.908 40.800 0.089 0.000 1.147 161 D HN 0.643 nan 8.370 nan 0.000 0.478 162 T N 0.442 114.900 114.554 -0.160 0.000 2.904 162 T HA -0.172 3.808 4.350 -0.617 0.000 0.267 162 T C 1.889 176.647 174.700 0.097 0.000 1.059 162 T CA 0.940 62.946 62.100 -0.157 0.000 1.137 162 T CB -0.153 68.545 68.868 -0.283 0.000 0.879 162 T HN 0.208 nan 8.240 nan 0.000 0.467 163 K N -0.015 120.441 120.400 0.094 0.000 2.057 163 K HA -0.067 3.883 4.320 -0.617 0.000 0.207 163 K C 1.854 178.557 176.600 0.172 0.000 1.049 163 K CA 1.312 57.672 56.287 0.122 0.000 0.931 163 K CB -1.257 31.305 32.500 0.102 0.000 0.714 163 K HN 0.800 nan 8.250 nan 0.000 0.440 164 W N 0.178 121.519 121.300 0.068 0.000 2.358 164 W HA -0.119 4.173 4.660 -0.613 0.000 0.303 164 W C 1.799 178.404 176.519 0.143 0.000 1.208 164 W CA 1.687 59.093 57.345 0.101 0.000 1.274 164 W CB -0.706 28.817 29.460 0.104 0.000 1.138 164 W HN 0.341 nan 8.180 nan 0.000 0.515 165 F N 1.839 121.773 119.950 -0.027 0.000 2.091 165 F HA -0.282 3.876 4.527 -0.615 0.000 0.299 165 F C 2.244 177.947 175.800 -0.161 0.000 1.103 165 F CA 2.497 60.385 58.000 -0.185 0.000 1.228 165 F CB -0.497 38.448 39.000 -0.092 0.000 0.984 165 F HN -0.198 nan 8.300 nan 0.000 0.477 166 E N 0.230 120.389 120.200 -0.067 0.000 2.150 166 E HA -0.165 3.815 4.350 -0.617 0.000 0.193 166 E C 1.737 178.205 176.600 -0.220 0.000 0.985 166 E CA 1.326 57.650 56.400 -0.127 0.000 0.814 166 E CB -0.418 29.323 29.700 0.069 0.000 0.752 166 E HN 0.551 nan 8.360 nan 0.000 0.466 167 D N -0.246 120.025 120.400 -0.215 0.000 2.277 167 D HA -0.031 4.239 4.640 -0.617 0.000 0.209 167 D C 0.764 176.911 176.300 -0.255 0.000 0.970 167 D CA 0.495 54.388 54.000 -0.178 0.000 0.874 167 D CB -0.017 40.732 40.800 -0.085 0.000 0.982 167 D HN -0.007 nan 8.370 nan 0.000 0.504 168 T N 1.017 115.302 114.554 -0.449 0.000 2.869 168 T HA 0.028 4.008 4.350 -0.617 0.000 0.295 168 T C 1.462 175.994 174.700 -0.281 0.000 0.987 168 T CA -0.418 61.441 62.100 -0.403 0.000 1.109 168 T CB 1.016 69.383 68.868 -0.835 0.000 0.932 168 T HN 0.120 nan 8.240 nan 0.000 0.518 169 E N 3.032 123.100 120.200 -0.220 0.000 2.147 169 E HA -0.237 3.743 4.350 -0.617 0.000 0.199 169 E C 1.144 177.544 176.600 -0.333 0.000 1.005 169 E CA 1.590 57.799 56.400 -0.318 0.000 0.810 169 E CB -0.431 29.008 29.700 -0.435 0.000 0.736 169 E HN 0.863 nan 8.360 nan 0.000 0.460 170 W N -0.346 120.848 121.300 -0.177 0.000 2.699 170 W HA 0.029 4.326 4.660 -0.604 0.000 0.249 170 W C 0.887 177.186 176.519 -0.367 0.000 1.280 170 W CA 0.268 57.483 57.345 -0.216 0.000 1.345 170 W CB -0.049 29.294 29.460 -0.195 0.000 1.128 170 W HN 0.103 nan 8.180 nan 0.000 0.642 171 Y N -0.465 119.806 120.300 -0.048 0.000 2.682 171 Y HA 0.166 4.351 4.550 -0.609 0.000 0.251 171 Y C 2.003 177.621 175.900 -0.470 0.000 1.172 171 Y CA -0.386 57.529 58.100 -0.308 0.000 1.186 171 Y CB -0.139 37.993 38.460 -0.547 0.000 1.216 171 Y HN -0.188 nan 8.280 nan 0.000 0.540 172 K N 1.199 121.492 120.400 -0.179 0.000 2.113 172 K HA -0.243 3.707 4.320 -0.617 0.000 0.208 172 K C 1.737 178.259 176.600 -0.130 0.000 1.047 172 K CA 2.408 58.590 56.287 -0.175 0.000 0.928 172 K CB -0.396 32.017 32.500 -0.145 0.000 0.716 172 K HN 0.484 nan 8.250 nan 0.000 0.446 173 F N -0.378 119.513 119.950 -0.098 0.000 2.161 173 F HA -0.057 4.104 4.527 -0.610 0.000 0.300 173 F C 1.963 177.766 175.800 0.005 0.000 1.089 173 F CA 0.821 58.775 58.000 -0.078 0.000 1.282 173 F CB -0.800 38.139 39.000 -0.103 0.000 1.010 173 F HN -0.013 nan 8.300 nan 0.000 0.485 174 A N 1.280 123.562 122.820 -0.897 0.000 1.897 174 A HA -0.052 3.898 4.320 -0.617 0.000 0.215 174 A C 2.370 179.870 177.584 -0.139 0.000 1.181 174 A CA 1.207 52.940 52.037 -0.507 0.000 0.620 174 A CB -0.710 18.059 19.000 -0.385 0.000 0.821 174 A HN 0.449 nan 8.150 nan 0.000 0.443 175 R N -0.522 119.880 120.500 -0.163 0.000 2.096 175 R HA -0.070 3.900 4.340 -0.617 0.000 0.235 175 R C 1.987 178.267 176.300 -0.034 0.000 1.127 175 R CA 1.340 57.395 56.100 -0.077 0.000 0.968 175 R CB -0.559 29.646 30.300 -0.159 0.000 0.861 175 R HN 0.392 nan 8.270 nan 0.000 0.440 176 V N 0.389 120.281 119.914 -0.036 0.000 2.295 176 V HA -0.241 3.509 4.120 -0.617 0.000 0.246 176 V C 2.186 178.310 176.094 0.049 0.000 1.049 176 V CA 1.941 64.249 62.300 0.012 0.000 1.024 176 V CB -0.351 31.477 31.823 0.009 0.000 0.648 176 V HN 0.279 nan 8.190 nan 0.000 0.447 177 S N -0.926 114.816 115.700 0.070 0.000 2.402 177 S HA -0.191 3.909 4.470 -0.617 0.000 0.229 177 S C 2.110 176.773 174.600 0.107 0.000 1.021 177 S CA 1.538 59.831 58.200 0.155 0.000 0.974 177 S CB -0.358 63.002 63.200 0.266 0.000 0.800 177 S HN 0.530 nan 8.310 nan 0.000 0.484 178 R N 1.324 121.854 120.500 0.049 0.000 2.091 178 R HA -0.092 3.878 4.340 -0.617 0.000 0.238 178 R C 2.263 178.573 176.300 0.018 0.000 1.136 178 R CA 1.512 57.619 56.100 0.011 0.000 0.959 178 R CB -0.230 30.063 30.300 -0.012 0.000 0.856 178 R HN 0.365 nan 8.270 nan 0.000 0.437 179 E N -0.139 120.080 120.200 0.032 0.000 2.106 179 E HA -0.186 3.794 4.350 -0.617 0.000 0.192 179 E C 1.877 178.509 176.600 0.053 0.000 0.984 179 E CA 1.018 57.443 56.400 0.041 0.000 0.806 179 E CB 0.206 29.936 29.700 0.050 0.000 0.750 179 E HN 0.450 nan 8.360 nan 0.000 0.458 180 Q N -0.278 119.560 119.800 0.063 0.000 2.049 180 Q HA -0.063 3.907 4.340 -0.617 0.000 0.198 180 Q C 2.147 178.170 176.000 0.039 0.000 0.971 180 Q CA 1.109 56.951 55.803 0.065 0.000 0.833 180 Q CB -0.273 28.511 28.738 0.076 0.000 0.896 180 Q HN 0.239 nan 8.270 nan 0.000 0.434 181 A N 1.169 124.007 122.820 0.031 0.000 1.902 181 A HA -0.099 3.851 4.320 -0.617 0.000 0.217 181 A C 2.346 179.915 177.584 -0.025 0.000 1.181 181 A CA 1.788 53.816 52.037 -0.016 0.000 0.623 181 A CB -1.110 17.871 19.000 -0.030 0.000 0.818 181 A HN 0.457 nan 8.150 nan 0.000 0.443 182 G N -0.422 108.372 108.800 -0.010 0.000 2.432 182 G HA2 -0.210 3.380 3.960 -0.617 0.000 0.219 182 G HA3 -0.210 3.380 3.960 -0.617 0.000 0.219 182 G C 1.570 176.468 174.900 -0.003 0.000 1.135 182 G CA 0.952 46.045 45.100 -0.012 0.000 0.767 182 G HN 0.568 nan 8.290 nan 0.000 0.550 183 K N 0.517 120.924 120.400 0.012 0.000 2.283 183 K HA 0.086 4.036 4.320 -0.617 0.000 0.202 183 K C 2.330 178.933 176.600 0.005 0.000 1.048 183 K CA 0.780 57.078 56.287 0.019 0.000 0.948 183 K CB 0.020 32.546 32.500 0.044 0.000 0.742 183 K HN 0.302 nan 8.250 nan 0.000 0.458 184 A N 0.411 123.224 122.820 -0.012 0.000 2.307 184 A HA 0.266 4.216 4.320 -0.617 0.000 0.218 184 A C 1.202 178.763 177.584 -0.039 0.000 1.228 184 A CA 0.598 52.617 52.037 -0.029 0.000 0.857 184 A CB -0.094 18.876 19.000 -0.050 0.000 0.897 184 A HN 0.354 nan 8.150 nan 0.000 0.495 185 G N -0.916 107.865 108.800 -0.032 0.000 2.136 185 G HA2 -0.203 3.387 3.960 -0.617 0.000 0.242 185 G HA3 -0.203 3.387 3.960 -0.617 0.000 0.242 185 G C -0.101 174.769 174.900 -0.051 0.000 0.989 185 G CA 0.375 45.453 45.100 -0.036 0.000 0.682 185 G HN 0.544 nan 8.290 nan 0.000 0.522 186 L N 0.780 121.966 121.223 -0.063 0.000 2.305 186 L HA 0.708 4.678 4.340 -0.617 0.000 0.284 186 L C 1.076 177.901 176.870 -0.074 0.000 1.013 186 L CA -0.563 54.227 54.840 -0.082 0.000 0.819 186 L CB 1.638 43.624 42.059 -0.121 0.000 1.227 186 L HN 0.173 nan 8.230 nan 0.000 0.417 187 G N 1.215 109.971 108.800 -0.074 0.000 2.528 187 G HA2 0.594 4.184 3.960 -0.617 0.000 0.289 187 G HA3 0.594 4.184 3.960 -0.617 0.000 0.289 187 G C -0.128 174.702 174.900 -0.116 0.000 1.192 187 G CA -0.177 44.874 45.100 -0.081 0.000 0.921 187 G HN 0.560 nan 8.290 nan 0.000 0.512 188 T N -3.116 111.351 114.554 -0.144 0.000 2.940 188 T HA 0.679 4.659 4.350 -0.617 0.000 0.288 188 T C -0.818 173.742 174.700 -0.234 0.000 1.045 188 T CA -0.936 61.039 62.100 -0.208 0.000 1.018 188 T CB 1.964 70.686 68.868 -0.243 0.000 1.151 188 T HN 0.858 nan 8.240 nan 0.000 0.529 189 V N 1.161 120.912 119.914 -0.272 0.000 2.760 189 V HA 0.568 4.318 4.120 -0.617 0.000 0.309 189 V C -1.294 174.634 176.094 -0.276 0.000 1.077 189 V CA -1.313 60.863 62.300 -0.206 0.000 0.910 189 V CB 1.497 33.287 31.823 -0.055 0.000 1.008 189 V HN 0.906 nan 8.190 nan 0.000 0.424 190 F N 4.834 124.707 119.950 -0.129 0.000 2.529 190 F HA 0.338 4.495 4.527 -0.617 0.000 0.365 190 F C 0.452 176.239 175.800 -0.023 0.000 1.102 190 F CA 0.330 58.231 58.000 -0.164 0.000 1.271 190 F CB 0.963 39.833 39.000 -0.216 0.000 1.120 190 F HN 0.190 nan 8.300 nan 0.000 0.579 191 V N 5.588 125.611 119.914 0.182 0.000 2.384 191 V HA 0.307 4.057 4.120 -0.617 0.000 0.287 191 V C -2.031 174.179 176.094 0.195 0.000 1.020 191 V CA -2.147 60.270 62.300 0.194 0.000 0.850 191 V CB 1.519 33.479 31.823 0.228 0.000 0.987 191 V HN 0.517 nan 8.190 nan 0.000 0.436 192 P HA 0.136 nan 4.420 nan 0.000 0.270 192 P C -0.554 176.827 177.300 0.135 0.000 1.227 192 P CA -0.009 63.107 63.100 0.026 0.000 0.788 192 P CB 0.547 32.140 31.700 -0.179 0.000 0.926 193 N N -0.428 118.379 118.700 0.179 0.000 2.610 193 N HA 0.181 4.551 4.740 -0.617 0.000 0.264 193 N C 0.147 175.714 175.510 0.095 0.000 1.348 193 N CA -0.466 52.681 53.050 0.162 0.000 0.819 193 N CB 2.009 40.583 38.487 0.144 0.000 1.521 193 N HN 0.095 nan 8.380 nan 0.000 0.497 194 V N -0.319 119.682 119.914 0.145 0.000 3.608 194 V HA 0.284 4.034 4.120 -0.617 0.000 0.269 194 V C 0.560 176.640 176.094 -0.024 0.000 1.245 194 V CA 0.258 62.607 62.300 0.082 0.000 1.138 194 V CB -1.117 30.785 31.823 0.133 0.000 0.841 194 V HN 0.552 nan 8.190 nan 0.000 0.451 195 Y N 2.545 122.730 120.300 -0.192 0.000 2.465 195 Y HA 0.277 4.460 4.550 -0.611 0.000 0.331 195 Y C 0.656 176.315 175.900 -0.401 0.000 1.102 195 Y CA -0.639 57.291 58.100 -0.283 0.000 1.358 195 Y CB 0.365 38.641 38.460 -0.307 0.000 1.213 195 Y HN 0.289 nan 8.280 nan 0.000 0.525 196 D N 5.257 125.465 120.400 -0.319 0.000 2.358 196 D HA -0.067 4.203 4.640 -0.617 0.000 0.258 196 D C 0.309 176.662 176.300 0.090 0.000 1.223 196 D CA 0.335 54.271 54.000 -0.107 0.000 0.886 196 D CB 0.387 41.128 40.800 -0.099 0.000 1.120 196 D HN 0.616 nan 8.370 nan 0.000 0.482 197 F N 2.201 122.268 119.950 0.195 0.000 2.456 197 F HA 0.094 4.248 4.527 -0.620 0.000 0.298 197 F C 2.480 178.272 175.800 -0.013 0.000 1.104 197 F CA 0.507 58.597 58.000 0.151 0.000 1.435 197 F CB -0.231 38.848 39.000 0.131 0.000 1.078 197 F HN 0.516 nan 8.300 nan 0.000 0.546 198 G N -1.033 107.861 108.800 0.157 0.000 2.418 198 G HA2 -0.337 3.253 3.960 -0.617 0.000 0.217 198 G HA3 -0.337 3.253 3.960 -0.617 0.000 0.217 198 G C 1.630 176.518 174.900 -0.020 0.000 1.158 198 G CA 0.706 45.817 45.100 0.018 0.000 0.771 198 G HN 0.385 nan 8.290 nan 0.000 0.545 199 Y N 0.551 120.825 120.300 -0.044 0.000 2.128 199 Y HA -0.152 4.027 4.550 -0.619 0.000 0.284 199 Y C 2.851 178.732 175.900 -0.031 0.000 1.154 199 Y CA 2.288 60.358 58.100 -0.050 0.000 1.149 199 Y CB -0.130 38.283 38.460 -0.077 0.000 0.976 199 Y HN 0.196 nan 8.280 nan 0.000 0.505 200 M N -0.084 119.636 119.600 0.200 0.000 2.117 200 M HA -0.304 3.806 4.480 -0.617 0.000 0.262 200 M C 2.383 178.511 176.300 -0.287 0.000 1.065 200 M CA 2.226 57.588 55.300 0.104 0.000 1.114 200 M CB -0.259 32.502 32.600 0.267 0.000 1.361 200 M HN 0.471 nan 8.290 nan 0.000 0.408 201 Q N -0.153 119.292 119.800 -0.590 0.000 2.224 201 Q HA -0.169 3.801 4.340 -0.617 0.000 0.203 201 Q C 1.862 177.600 176.000 -0.437 0.000 0.970 201 Q CA 1.264 56.467 55.803 -1.000 0.000 0.865 201 Q CB 0.076 28.047 28.738 -1.280 0.000 0.922 201 Q HN 0.521 nan 8.270 nan 0.000 0.445 202 R N 0.083 120.371 120.500 -0.353 0.000 2.090 202 R HA -0.096 3.874 4.340 -0.617 0.000 0.228 202 R C 2.089 178.209 176.300 -0.300 0.000 1.110 202 R CA 1.423 57.340 56.100 -0.304 0.000 0.973 202 R CB -0.037 30.043 30.300 -0.367 0.000 0.869 202 R HN 0.390 nan 8.270 nan 0.000 0.440 203 E N 0.628 120.613 120.200 -0.358 0.000 2.070 203 E HA -0.233 3.747 4.350 -0.617 0.000 0.197 203 E C 1.999 178.490 176.600 -0.182 0.000 1.004 203 E CA 1.485 57.714 56.400 -0.285 0.000 0.805 203 E CB -0.155 29.400 29.700 -0.242 0.000 0.744 203 E HN 0.360 nan 8.360 nan 0.000 0.451 204 A N 1.127 123.881 122.820 -0.110 0.000 1.969 204 A HA -0.022 3.928 4.320 -0.617 0.000 0.218 204 A C 2.252 179.926 177.584 0.150 0.000 1.169 204 A CA 1.423 53.516 52.037 0.094 0.000 0.635 204 A CB -0.338 18.912 19.000 0.418 0.000 0.810 204 A HN 0.274 nan 8.150 nan 0.000 0.445 205 A N -1.569 121.287 122.820 0.059 0.000 2.238 205 A HA 0.404 4.354 4.320 -0.617 0.000 0.208 205 A C 1.748 179.338 177.584 0.011 0.000 1.177 205 A CA 1.134 53.200 52.037 0.048 0.000 0.804 205 A CB -1.034 17.973 19.000 0.012 0.000 0.823 205 A HN 1.858 nan 8.150 nan 0.000 0.482 206 G N -0.566 108.224 108.800 -0.017 0.000 2.160 206 G HA2 -0.286 3.304 3.960 -0.617 0.000 0.251 206 G HA3 -0.286 3.304 3.960 -0.617 0.000 0.251 206 G C 0.428 175.291 174.900 -0.062 0.000 1.008 206 G CA 0.735 45.817 45.100 -0.030 0.000 0.724 206 G HN 0.626 nan 8.290 nan 0.000 0.514 207 E N -1.326 118.811 120.200 -0.105 0.000 2.364 207 E HA 0.340 4.320 4.350 -0.617 0.000 0.196 207 E C 1.099 177.603 176.600 -0.159 0.000 0.990 207 E CA 0.946 57.275 56.400 -0.118 0.000 0.886 207 E CB 0.673 30.298 29.700 -0.126 0.000 0.866 207 E HN 0.967 nan 8.360 nan 0.000 0.493 208 V N -2.115 117.659 119.914 -0.232 0.000 3.114 208 V HA 0.495 4.245 4.120 -0.617 0.000 0.308 208 V C -2.972 172.978 176.094 -0.240 0.000 1.168 208 V CA -3.070 59.065 62.300 -0.275 0.000 1.015 208 V CB 1.477 32.975 31.823 -0.541 0.000 1.050 208 V HN -0.222 nan 8.190 nan 0.000 0.433 209 P HA 0.229 nan 4.420 nan 0.000 0.265 209 P C -0.613 176.622 177.300 -0.109 0.000 1.193 209 P CA 0.155 63.121 63.100 -0.224 0.000 0.765 209 P CB 0.222 31.625 31.700 -0.495 0.000 0.823 210 K N 1.404 121.790 120.400 -0.023 0.000 2.237 210 K HA 0.303 4.253 4.320 -0.617 0.000 0.270 210 K C 0.851 177.564 176.600 0.189 0.000 1.015 210 K CA -0.098 56.213 56.287 0.039 0.000 0.949 210 K CB 0.804 33.267 32.500 -0.062 0.000 0.976 210 K HN 0.359 nan 8.250 nan 0.000 0.472 211 S N 0.836 116.670 115.700 0.223 0.000 4.098 211 S HA 0.103 4.203 4.470 -0.617 0.000 0.193 211 S C 1.640 176.302 174.600 0.104 0.000 1.049 211 S CA 0.451 58.794 58.200 0.239 0.000 1.034 211 S CB -0.452 62.963 63.200 0.358 0.000 1.380 211 S HN 0.610 nan 8.310 nan 0.000 0.629 212 A N 1.747 124.623 122.820 0.093 0.000 1.978 212 A HA 0.122 4.072 4.320 -0.617 0.000 0.220 212 A C 1.646 179.099 177.584 -0.218 0.000 1.170 212 A CA 1.399 53.325 52.037 -0.184 0.000 0.636 212 A CB -0.827 17.823 19.000 -0.583 0.000 0.810 212 A HN 0.579 nan 8.150 nan 0.000 0.448 213 L N -1.536 119.502 121.223 -0.308 0.000 2.653 213 L HA 0.262 4.232 4.340 -0.617 0.000 0.232 213 L C 1.258 177.907 176.870 -0.369 0.000 1.169 213 L CA 0.436 54.860 54.840 -0.693 0.000 0.951 213 L CB -0.021 41.289 42.059 -1.249 0.000 1.181 213 L HN 0.384 nan 8.230 nan 0.000 0.460 214 A N -0.900 121.845 122.820 -0.124 0.000 2.610 214 A HA 0.331 4.281 4.320 -0.617 0.000 0.290 214 A C 0.796 178.390 177.584 0.016 0.000 1.001 214 A CA -0.162 51.866 52.037 -0.014 0.000 1.004 214 A CB 0.034 19.048 19.000 0.023 0.000 1.220 214 A HN 0.241 nan 8.150 nan 0.000 0.507 215 T N 0.649 115.201 114.554 -0.004 0.000 4.056 215 T HA -0.148 3.832 4.350 -0.617 0.000 0.356 215 T C -0.325 174.364 174.700 -0.018 0.000 0.757 215 T CA 1.697 63.790 62.100 -0.011 0.000 1.949 215 T CB -1.791 67.086 68.868 0.014 0.000 1.834 215 T HN 0.776 nan 8.240 nan 0.000 0.846 216 E N -0.897 119.287 120.200 -0.026 0.000 2.222 216 E HA 0.686 4.666 4.350 -0.617 0.000 0.267 216 E C 0.411 176.959 176.600 -0.087 0.000 0.884 216 E CA -0.655 55.723 56.400 -0.035 0.000 0.764 216 E CB 2.713 32.429 29.700 0.027 0.000 1.169 216 E HN 0.110 nan 8.360 nan 0.000 0.413 217 V N 3.327 123.145 119.914 -0.161 0.000 4.496 217 V HA 0.043 3.793 4.120 -0.617 0.000 0.146 217 V C 0.657 176.589 176.094 -0.270 0.000 1.365 217 V CA 0.120 62.314 62.300 -0.175 0.000 1.001 217 V CB -0.148 31.598 31.823 -0.129 0.000 1.083 217 V HN 0.749 nan 8.190 nan 0.000 0.624 218 I N 0.390 120.734 120.570 -0.376 0.000 2.928 218 I HA -0.021 3.779 4.170 -0.617 0.000 0.266 218 I C 0.928 176.816 176.117 -0.381 0.000 1.234 218 I CA 1.293 62.336 61.300 -0.428 0.000 1.483 218 I CB 0.225 37.920 38.000 -0.510 0.000 1.097 218 I HN 0.603 nan 8.210 nan 0.000 0.455 219 Y N 0.778 120.963 120.300 -0.192 0.000 2.658 219 Y HA 0.556 4.736 4.550 -0.616 0.000 0.276 219 Y C 0.827 176.421 175.900 -0.510 0.000 1.167 219 Y CA -0.413 57.547 58.100 -0.235 0.000 1.230 219 Y CB -0.315 38.089 38.460 -0.094 0.000 1.144 219 Y HN 0.091 nan 8.280 nan 0.000 0.529 220 G N 0.772 109.207 108.800 -0.608 0.000 2.629 220 G HA2 -0.175 3.415 3.960 -0.617 0.000 0.686 220 G HA3 -0.175 3.415 3.960 -0.617 0.000 0.686 220 G C -1.180 173.315 174.900 -0.675 0.000 1.232 220 G CA -1.239 43.097 45.100 -1.273 0.000 0.803 220 G HN 0.285 nan 8.290 nan 0.000 0.638 221 N N 0.713 119.096 118.700 -0.529 0.000 2.407 221 N HA 0.408 4.778 4.740 -0.617 0.000 0.277 221 N C 1.058 176.611 175.510 0.070 0.000 0.995 221 N CA -1.003 51.985 53.050 -0.104 0.000 0.903 221 N CB 1.231 39.718 38.487 0.000 0.000 1.218 221 N HN 0.475 nan 8.380 nan 0.000 0.487 222 N N 1.085 119.840 118.700 0.091 0.000 2.459 222 N HA -0.058 4.312 4.740 -0.617 0.000 0.181 222 N C -0.441 174.660 175.510 -0.682 0.000 1.046 222 N CA 1.109 54.059 53.050 -0.166 0.000 0.904 222 N CB 0.075 38.425 38.487 -0.228 0.000 0.964 222 N HN 0.605 nan 8.380 nan 0.000 0.444 223 H N -2.929 116.129 119.070 -0.020 0.000 3.008 223 H HA 0.344 4.529 4.556 -0.618 0.000 0.354 223 H C 1.033 176.067 175.328 -0.491 0.000 1.252 223 H CA 0.047 55.942 56.048 -0.255 0.000 1.117 223 H CB 1.631 31.270 29.762 -0.205 0.000 1.857 223 H HN 0.065 nan 8.280 nan 0.000 0.547 224 G N 0.976 109.268 108.800 -0.847 0.000 2.458 224 G HA2 -0.317 3.273 3.960 -0.617 0.000 0.237 224 G HA3 -0.317 3.273 3.960 -0.617 0.000 0.237 224 G C 0.540 174.677 174.900 -1.271 0.000 1.113 224 G CA 0.733 45.042 45.100 -1.319 0.000 0.655 224 G HN 0.559 nan 8.290 nan 0.000 0.513 225 K N 1.387 121.280 120.400 -0.844 0.000 2.316 225 K HA 0.368 4.318 4.320 -0.617 0.000 0.289 225 K C 0.245 176.682 176.600 -0.271 0.000 1.070 225 K CA -0.315 55.714 56.287 -0.431 0.000 0.928 225 K CB 0.372 32.815 32.500 -0.096 0.000 1.039 225 K HN 0.093 nan 8.250 nan 0.000 0.480 226 Q N 2.805 122.479 119.800 -0.211 0.000 3.159 226 Q HA 0.021 3.991 4.340 -0.617 0.000 0.280 226 Q C -0.217 175.719 176.000 -0.107 0.000 1.403 226 Q CA 0.032 55.750 55.803 -0.142 0.000 0.957 226 Q CB -0.099 28.575 28.738 -0.107 0.000 1.729 226 Q HN 0.708 nan 8.270 nan 0.000 0.551 227 S N -1.059 114.571 115.700 -0.117 0.000 2.598 227 S HA 0.117 4.217 4.470 -0.617 0.000 0.256 227 S C 1.469 175.991 174.600 -0.130 0.000 1.350 227 S CA -0.510 57.609 58.200 -0.135 0.000 0.984 227 S CB 0.756 63.886 63.200 -0.117 0.000 0.930 227 S HN 0.545 nan 8.310 nan 0.000 0.577 228 L N 0.842 121.947 121.223 -0.197 0.000 2.201 228 L HA -0.098 3.872 4.340 -0.617 0.000 0.212 228 L C 2.303 179.125 176.870 -0.081 0.000 1.105 228 L CA 1.309 56.048 54.840 -0.167 0.000 0.775 228 L CB -0.850 41.011 42.059 -0.330 0.000 0.913 228 L HN 0.817 nan 8.230 nan 0.000 0.440 229 D N 0.264 120.624 120.400 -0.067 0.000 2.182 229 D HA -0.245 4.025 4.640 -0.617 0.000 0.201 229 D C 1.778 178.060 176.300 -0.031 0.000 0.986 229 D CA 1.395 55.379 54.000 -0.028 0.000 0.847 229 D CB -0.194 40.612 40.800 0.012 0.000 0.942 229 D HN 0.237 nan 8.370 nan 0.000 0.467 230 K N -0.483 119.890 120.400 -0.045 0.000 2.314 230 K HA 0.056 4.006 4.320 -0.617 0.000 0.198 230 K C 1.867 178.431 176.600 -0.060 0.000 1.045 230 K CA 1.206 57.461 56.287 -0.054 0.000 0.988 230 K CB 0.365 32.823 32.500 -0.071 0.000 0.783 230 K HN 0.431 nan 8.250 nan 0.000 0.484 231 T N -2.547 111.974 114.554 -0.055 0.000 3.274 231 T HA 0.036 4.016 4.350 -0.617 0.000 0.186 231 T C 1.590 176.244 174.700 -0.077 0.000 0.799 231 T CA -0.139 61.912 62.100 -0.082 0.000 1.611 231 T CB -0.850 67.978 68.868 -0.068 0.000 2.155 231 T HN -0.035 nan 8.240 nan 0.000 0.427 232 Y N 1.781 122.035 120.300 -0.077 0.000 2.165 232 Y HA 0.086 4.265 4.550 -0.617 0.000 0.286 232 Y C 2.566 178.417 175.900 -0.081 0.000 1.155 232 Y CA 1.392 59.447 58.100 -0.074 0.000 1.164 232 Y CB -0.570 37.839 38.460 -0.084 0.000 0.978 232 Y HN 0.193 nan 8.280 nan 0.000 0.513 233 L N -1.282 119.982 121.223 0.070 0.000 2.109 233 L HA -0.176 3.794 4.340 -0.617 0.000 0.207 233 L C 2.681 179.544 176.870 -0.011 0.000 1.086 233 L CA 0.850 55.694 54.840 0.007 0.000 0.760 233 L CB -0.840 41.206 42.059 -0.023 0.000 0.910 233 L HN 0.195 nan 8.230 nan 0.000 0.437 234 A N 0.362 123.170 122.820 -0.021 0.000 1.908 234 A HA -0.220 3.730 4.320 -0.617 0.000 0.218 234 A C 2.542 180.104 177.584 -0.036 0.000 1.181 234 A CA 1.951 53.969 52.037 -0.032 0.000 0.627 234 A CB -0.737 18.239 19.000 -0.040 0.000 0.818 234 A HN 0.398 nan 8.150 nan 0.000 0.445 235 A N -0.302 122.491 122.820 -0.044 0.000 1.898 235 A HA 0.193 4.143 4.320 -0.617 0.000 0.216 235 A C 2.513 180.078 177.584 -0.033 0.000 1.181 235 A CA 2.036 54.042 52.037 -0.051 0.000 0.620 235 A CB -1.022 17.926 19.000 -0.086 0.000 0.819 235 A HN 1.069 nan 8.150 nan 0.000 0.442 236 A N -0.023 122.787 122.820 -0.016 0.000 1.883 236 A HA -0.094 3.855 4.320 -0.617 0.000 0.217 236 A C 2.158 179.724 177.584 -0.032 0.000 1.186 236 A CA 1.587 53.611 52.037 -0.022 0.000 0.624 236 A CB -0.711 18.278 19.000 -0.019 0.000 0.822 236 A HN 0.479 nan 8.150 nan 0.000 0.444 237 L N -0.605 120.600 121.223 -0.030 0.000 2.079 237 L HA -0.152 3.818 4.340 -0.617 0.000 0.210 237 L C 2.728 179.580 176.870 -0.030 0.000 1.081 237 L CA 1.054 55.875 54.840 -0.032 0.000 0.752 237 L CB -0.775 41.266 42.059 -0.030 0.000 0.896 237 L HN 0.500 nan 8.230 nan 0.000 0.433 238 G N -0.573 108.208 108.800 -0.031 0.000 2.498 238 G HA2 -0.241 3.349 3.960 -0.617 0.000 0.219 238 G HA3 -0.241 3.349 3.960 -0.617 0.000 0.219 238 G C 1.646 176.529 174.900 -0.029 0.000 1.119 238 G CA 1.126 46.208 45.100 -0.030 0.000 0.766 238 G HN 0.482 nan 8.290 nan 0.000 0.552 239 T N -2.645 111.891 114.554 -0.030 0.000 2.995 239 T HA 0.280 4.260 4.350 -0.617 0.000 0.269 239 T C 2.120 176.805 174.700 -0.025 0.000 1.091 239 T CA 1.069 63.151 62.100 -0.029 0.000 1.128 239 T CB -0.183 68.666 68.868 -0.032 0.000 0.891 239 T HN 1.292 nan 8.240 nan 0.000 0.492 240 G N 1.304 110.089 108.800 -0.025 0.000 2.179 240 G HA2 -0.237 3.353 3.960 -0.617 0.000 0.260 240 G HA3 -0.237 3.353 3.960 -0.617 0.000 0.260 240 G C 0.798 175.684 174.900 -0.023 0.000 0.977 240 G CA 0.384 45.470 45.100 -0.022 0.000 0.641 240 G HN 0.522 nan 8.290 nan 0.000 0.533 241 K N -0.313 120.070 120.400 -0.028 0.000 2.413 241 K HA 0.467 4.417 4.320 -0.617 0.000 0.204 241 K C 0.165 176.742 176.600 -0.038 0.000 1.041 241 K CA 0.257 56.526 56.287 -0.029 0.000 1.082 241 K CB 1.679 34.162 32.500 -0.028 0.000 0.871 241 K HN 0.338 nan 8.250 nan 0.000 0.535 242 V N 1.317 121.207 119.914 -0.041 0.000 2.638 242 V HA 0.372 4.122 4.120 -0.617 0.000 0.306 242 V C -0.350 175.716 176.094 -0.047 0.000 1.052 242 V CA -0.711 61.560 62.300 -0.049 0.000 0.885 242 V CB 2.109 33.900 31.823 -0.054 0.000 0.999 242 V HN 0.018 nan 8.190 nan 0.000 0.424 243 T N 5.364 119.886 114.554 -0.053 0.000 2.863 243 T HA 0.730 4.710 4.350 -0.617 0.000 0.285 243 T C -0.521 174.139 174.700 -0.065 0.000 1.009 243 T CA -0.331 61.735 62.100 -0.056 0.000 0.989 243 T CB 1.660 70.492 68.868 -0.059 0.000 1.004 243 T HN 0.417 nan 8.240 nan 0.000 0.455 244 I N 2.564 123.094 120.570 -0.066 0.000 2.418 244 I HA 0.342 4.142 4.170 -0.617 0.000 0.287 244 I C -0.090 175.970 176.117 -0.096 0.000 1.008 244 I CA -0.764 60.493 61.300 -0.071 0.000 1.104 244 I CB 1.804 39.775 38.000 -0.049 0.000 1.264 244 I HN 0.407 nan 8.210 nan 0.000 0.438 245 Q N 4.536 124.248 119.800 -0.146 0.000 2.293 245 Q HA 0.470 4.440 4.340 -0.617 0.000 0.261 245 Q C -0.226 175.701 176.000 -0.122 0.000 0.960 245 Q CA -0.674 54.986 55.803 -0.239 0.000 0.882 245 Q CB 2.509 30.894 28.738 -0.588 0.000 1.275 245 Q HN 0.740 nan 8.270 nan 0.000 0.445 246 T N -1.444 113.110 114.554 0.001 0.000 2.952 246 T HA 0.509 4.489 4.350 -0.617 0.000 0.286 246 T C 0.489 175.334 174.700 0.242 0.000 1.024 246 T CA -0.794 61.363 62.100 0.094 0.000 1.029 246 T CB 0.604 69.488 68.868 0.027 0.000 1.094 246 T HN 0.712 nan 8.240 nan 0.000 0.515 247 L N -0.143 121.186 121.223 0.176 0.000 3.839 247 L HA -0.167 3.802 4.340 -0.617 0.000 0.416 247 L C -0.784 176.154 176.870 0.113 0.000 1.195 247 L CA 0.506 55.437 54.840 0.152 0.000 0.946 247 L CB -2.185 39.916 42.059 0.069 0.000 1.891 247 L HN 0.794 nan 8.230 nan 0.000 0.963 248 H N -0.211 118.887 119.070 0.048 0.000 2.708 248 H HA 0.485 4.670 4.556 -0.617 0.000 0.320 248 H C -0.014 175.337 175.328 0.038 0.000 0.991 248 H CA -0.215 55.853 56.048 0.034 0.000 1.243 248 H CB 1.338 31.110 29.762 0.017 0.000 1.446 248 H HN 0.179 nan 8.280 nan 0.000 0.502 249 Q N 3.476 123.336 119.800 0.101 0.000 2.325 249 Q HA 0.399 4.369 4.340 -0.617 0.000 0.262 249 Q C -0.876 175.158 176.000 0.057 0.000 0.968 249 Q CA -0.944 54.906 55.803 0.078 0.000 0.877 249 Q CB 1.160 29.943 28.738 0.075 0.000 1.253 249 Q HN 0.429 nan 8.270 nan 0.000 0.448 250 V N 5.341 125.284 119.914 0.048 0.000 2.572 250 V HA 0.032 3.782 4.120 -0.617 0.000 0.291 250 V C 0.740 176.844 176.094 0.017 0.000 1.039 250 V CA 0.140 62.459 62.300 0.031 0.000 1.055 250 V CB 1.036 32.871 31.823 0.019 0.000 0.969 250 V HN 0.818 nan 8.190 nan 0.000 0.482 251 K N 2.267 122.675 120.400 0.014 0.000 2.306 251 K HA 0.181 4.131 4.320 -0.617 0.000 0.200 251 K C 0.793 177.392 176.600 -0.002 0.000 1.083 251 K CA 0.831 57.125 56.287 0.011 0.000 0.959 251 K CB 0.548 33.057 32.500 0.015 0.000 0.994 251 K HN 0.846 nan 8.250 nan 0.000 0.492 252 T N -1.297 113.253 114.554 -0.007 0.000 2.903 252 T HA 0.733 4.713 4.350 -0.617 0.000 0.299 252 T C -0.453 174.232 174.700 -0.024 0.000 1.093 252 T CA -0.810 61.276 62.100 -0.024 0.000 1.002 252 T CB 1.781 70.639 68.868 -0.016 0.000 1.127 252 T HN -0.064 nan 8.240 nan 0.000 0.488 253 I N 2.150 122.692 120.570 -0.045 0.000 2.498 253 I HA 0.638 4.438 4.170 -0.617 0.000 0.290 253 I C -0.074 176.027 176.117 -0.027 0.000 1.032 253 I CA -1.069 60.208 61.300 -0.039 0.000 1.073 253 I CB 2.144 40.084 38.000 -0.100 0.000 1.251 253 I HN 0.842 nan 8.210 nan 0.000 0.426 254 R N 3.835 124.353 120.500 0.030 0.000 2.836 254 R HA 0.649 4.619 4.340 -0.617 0.000 0.269 254 R C -1.282 175.063 176.300 0.075 0.000 1.010 254 R CA -1.029 55.087 56.100 0.026 0.000 0.930 254 R CB 1.730 32.033 30.300 0.004 0.000 1.218 254 R HN 0.505 nan 8.270 nan 0.000 0.473 255 Q N 1.451 121.253 119.800 0.005 0.000 2.256 255 Q HA 0.253 4.223 4.340 -0.617 0.000 0.254 255 Q C -0.689 175.229 176.000 -0.136 0.000 0.916 255 Q CA -0.431 55.279 55.803 -0.155 0.000 0.932 255 Q CB 1.637 30.346 28.738 -0.049 0.000 1.207 255 Q HN 0.734 nan 8.270 nan 0.000 0.426 256 T N 0.784 115.208 114.554 -0.216 0.000 2.849 256 T HA 0.251 4.231 4.350 -0.617 0.000 0.284 256 T C 0.808 175.436 174.700 -0.119 0.000 1.004 256 T CA -0.659 61.363 62.100 -0.129 0.000 1.021 256 T CB 0.872 69.668 68.868 -0.120 0.000 1.013 256 T HN 0.721 nan 8.240 nan 0.000 0.527 257 K N 0.717 121.068 120.400 -0.080 0.000 2.218 257 K HA -0.136 3.814 4.320 -0.617 0.000 0.205 257 K C 1.527 178.082 176.600 -0.075 0.000 1.046 257 K CA 1.744 57.992 56.287 -0.064 0.000 0.933 257 K CB -0.144 32.326 32.500 -0.049 0.000 0.728 257 K HN 0.817 nan 8.250 nan 0.000 0.454 258 D N -1.343 119.001 120.400 -0.094 0.000 2.363 258 D HA 0.020 4.290 4.640 -0.617 0.000 0.214 258 D C 0.979 177.203 176.300 -0.127 0.000 1.093 258 D CA 0.739 54.681 54.000 -0.097 0.000 0.837 258 D CB 0.639 41.383 40.800 -0.094 0.000 0.948 258 D HN 0.252 nan 8.370 nan 0.000 0.507 259 G N 0.018 108.713 108.800 -0.176 0.000 2.175 259 G HA2 -0.185 3.405 3.960 -0.617 0.000 0.244 259 G HA3 -0.185 3.405 3.960 -0.617 0.000 0.244 259 G C 0.652 175.326 174.900 -0.377 0.000 0.982 259 G CA 0.017 44.976 45.100 -0.234 0.000 0.641 259 G HN 0.744 nan 8.290 nan 0.000 0.527 260 G N -1.026 107.560 108.800 -0.356 0.000 2.510 260 G HA2 0.612 4.201 3.960 -0.617 0.000 0.280 260 G HA3 0.612 4.201 3.960 -0.617 0.000 0.280 260 G C -0.612 173.861 174.900 -0.712 0.000 1.386 260 G CA -0.786 44.074 45.100 -0.400 0.000 1.047 260 G HN 0.360 nan 8.290 nan 0.000 0.527 261 Y N -1.266 119.024 120.300 -0.016 0.000 2.499 261 Y HA 0.626 4.806 4.550 -0.616 0.000 0.347 261 Y C 0.390 176.290 175.900 -0.000 0.000 0.987 261 Y CA -0.651 57.431 58.100 -0.030 0.000 1.044 261 Y CB 2.453 40.877 38.460 -0.061 0.000 1.245 261 Y HN 0.687 nan 8.280 nan 0.000 0.461 262 A N 3.328 126.221 122.820 0.122 0.000 2.371 262 A HA 0.856 4.806 4.320 -0.617 0.000 0.311 262 A C -1.931 175.695 177.584 0.070 0.000 1.068 262 A CA -0.638 51.447 52.037 0.081 0.000 0.744 262 A CB 0.939 19.964 19.000 0.041 0.000 1.239 262 A HN 0.522 nan 8.150 nan 0.000 0.435 263 L N 1.310 122.569 121.223 0.059 0.000 2.346 263 L HA 0.628 4.598 4.340 -0.617 0.000 0.274 263 L C 0.274 177.166 176.870 0.036 0.000 1.007 263 L CA -0.172 54.693 54.840 0.041 0.000 0.818 263 L CB 1.401 43.486 42.059 0.043 0.000 1.284 263 L HN 0.690 nan 8.230 nan 0.000 0.424 264 T N 2.414 116.983 114.554 0.025 0.000 2.767 264 T HA 0.655 4.635 4.350 -0.617 0.000 0.284 264 T C -0.227 174.489 174.700 0.028 0.000 0.973 264 T CA -0.311 61.803 62.100 0.024 0.000 0.996 264 T CB 1.289 70.166 68.868 0.015 0.000 0.927 264 T HN 0.268 nan 8.240 nan 0.000 0.456 265 V N 4.050 123.985 119.914 0.035 0.000 2.483 265 V HA 0.374 4.124 4.120 -0.617 0.000 0.297 265 V C -0.098 176.000 176.094 0.006 0.000 1.027 265 V CA -0.986 61.342 62.300 0.048 0.000 0.855 265 V CB 1.832 33.720 31.823 0.108 0.000 0.995 265 V HN 0.833 nan 8.190 nan 0.000 0.424 266 E N 3.244 123.431 120.200 -0.020 0.000 2.200 266 E HA 0.359 4.339 4.350 -0.617 0.000 0.283 266 E C -0.554 175.944 176.600 -0.170 0.000 1.015 266 E CA -0.352 56.005 56.400 -0.072 0.000 0.819 266 E CB 1.934 31.607 29.700 -0.046 0.000 1.081 266 E HN 0.658 nan 8.360 nan 0.000 0.397 267 Q N 3.434 123.076 119.800 -0.264 0.000 2.290 267 Q HA 0.261 4.231 4.340 -0.617 0.000 0.259 267 Q C -1.011 174.868 176.000 -0.202 0.000 0.941 267 Q CA -0.363 55.189 55.803 -0.417 0.000 0.912 267 Q CB 0.851 29.250 28.738 -0.564 0.000 1.244 267 Q HN 0.337 nan 8.270 nan 0.000 0.441 268 K N 1.947 122.259 120.400 -0.147 0.000 2.350 268 K HA 0.298 4.248 4.320 -0.617 0.000 0.241 268 K C -1.035 175.528 176.600 -0.062 0.000 0.994 268 K CA -0.919 55.315 56.287 -0.089 0.000 0.839 268 K CB 1.224 33.675 32.500 -0.081 0.000 1.244 268 K HN 0.733 nan 8.250 nan 0.000 0.443 269 D N -1.227 119.145 120.400 -0.047 0.000 2.466 269 D HA 0.013 4.283 4.640 -0.617 0.000 0.262 269 D C 0.890 177.170 176.300 -0.033 0.000 1.177 269 D CA -0.443 53.537 54.000 -0.035 0.000 1.035 269 D CB 0.268 41.054 40.800 -0.023 0.000 1.105 269 D HN 0.564 nan 8.370 nan 0.000 0.551 270 T N -3.727 110.787 114.554 -0.066 0.000 3.072 270 T HA -0.076 3.904 4.350 -0.617 0.000 0.266 270 T C 0.589 175.231 174.700 -0.097 0.000 1.127 270 T CA 0.568 62.551 62.100 -0.194 0.000 1.107 270 T CB -0.291 68.405 68.868 -0.286 0.000 0.910 270 T HN 0.321 nan 8.240 nan 0.000 0.513 271 D N 1.309 121.742 120.400 0.055 0.000 2.340 271 D HA 0.207 4.477 4.640 -0.617 0.000 0.220 271 D C 1.730 178.158 176.300 0.214 0.000 1.039 271 D CA 0.789 54.877 54.000 0.147 0.000 0.866 271 D CB -0.100 40.755 40.800 0.091 0.000 0.913 271 D HN 0.628 nan 8.370 nan 0.000 0.523 272 G N 0.391 109.258 108.800 0.111 0.000 2.157 272 G HA2 -0.280 3.310 3.960 -0.617 0.000 0.248 272 G HA3 -0.280 3.310 3.960 -0.617 0.000 0.248 272 G C 0.621 175.431 174.900 -0.151 0.000 0.979 272 G CA 0.464 45.453 45.100 -0.187 0.000 0.650 272 G HN 0.681 nan 8.290 nan 0.000 0.529 273 K N 0.022 120.382 120.400 -0.067 0.000 2.368 273 K HA 0.729 4.679 4.320 -0.617 0.000 0.282 273 K C 0.410 176.967 176.600 -0.072 0.000 1.035 273 K CA -0.004 56.246 56.287 -0.062 0.000 0.973 273 K CB 0.873 33.353 32.500 -0.033 0.000 0.957 273 K HN 1.241 nan 8.250 nan 0.000 0.474 274 L N 3.888 125.067 121.223 -0.073 0.000 2.433 274 L HA 0.204 4.173 4.340 -0.617 0.000 0.275 274 L C 0.942 177.777 176.870 -0.058 0.000 1.128 274 L CA 0.040 54.838 54.840 -0.070 0.000 0.875 274 L CB 0.046 42.068 42.059 -0.063 0.000 1.171 274 L HN 0.783 nan 8.230 nan 0.000 0.463 275 L N 4.903 126.086 121.223 -0.067 0.000 2.253 275 L HA 0.469 4.439 4.340 -0.617 0.000 0.205 275 L C 0.729 177.568 176.870 -0.051 0.000 1.078 275 L CA 0.507 55.314 54.840 -0.056 0.000 0.805 275 L CB -0.309 41.714 42.059 -0.061 0.000 0.963 275 L HN 0.777 nan 8.230 nan 0.000 0.459 276 A N -0.884 121.896 122.820 -0.066 0.000 2.599 276 A HA 0.626 4.576 4.320 -0.617 0.000 0.294 276 A C -0.951 176.598 177.584 -0.058 0.000 1.055 276 A CA -0.379 51.628 52.037 -0.051 0.000 0.683 276 A CB 1.179 20.153 19.000 -0.043 0.000 1.278 276 A HN -0.098 nan 8.150 nan 0.000 0.412 277 T N 1.965 116.500 114.554 -0.032 0.000 2.786 277 T HA 0.533 4.513 4.350 -0.617 0.000 0.283 277 T C -0.334 174.366 174.700 -0.001 0.000 0.992 277 T CA -0.279 61.809 62.100 -0.020 0.000 0.954 277 T CB 0.962 69.822 68.868 -0.014 0.000 0.934 277 T HN 0.576 nan 8.240 nan 0.000 0.440 278 K N 1.840 122.249 120.400 0.014 0.000 2.221 278 K HA 0.596 4.546 4.320 -0.617 0.000 0.243 278 K C -0.615 176.010 176.600 0.042 0.000 0.968 278 K CA -0.903 55.407 56.287 0.038 0.000 0.846 278 K CB 1.667 34.212 32.500 0.076 0.000 1.141 278 K HN 0.351 nan 8.250 nan 0.000 0.434 279 E N 2.071 122.298 120.200 0.045 0.000 2.182 279 E HA 0.361 4.341 4.350 -0.617 0.000 0.258 279 E C -1.423 175.210 176.600 0.056 0.000 0.879 279 E CA -0.255 56.172 56.400 0.045 0.000 0.754 279 E CB 0.715 30.437 29.700 0.036 0.000 1.162 279 E HN 0.357 nan 8.360 nan 0.000 0.419 280 I N 2.965 123.570 120.570 0.060 0.000 2.465 280 I HA 0.439 4.239 4.170 -0.617 0.000 0.291 280 I C -0.311 175.852 176.117 0.076 0.000 1.014 280 I CA -0.747 60.590 61.300 0.062 0.000 1.093 280 I CB 1.921 39.951 38.000 0.050 0.000 1.267 280 I HN 0.499 nan 8.210 nan 0.000 0.431 281 S N 4.810 120.573 115.700 0.105 0.000 2.634 281 S HA 0.900 5.000 4.470 -0.617 0.000 0.296 281 S C -0.572 174.129 174.600 0.167 0.000 1.104 281 S CA -0.659 57.632 58.200 0.153 0.000 0.920 281 S CB 2.239 65.547 63.200 0.180 0.000 1.111 281 S HN 0.909 nan 8.310 nan 0.000 0.493 282 C N -0.036 119.389 119.300 0.207 0.000 3.321 282 C HA 0.702 4.792 4.460 -0.617 0.000 0.329 282 C C 0.964 176.088 174.990 0.223 0.000 1.394 282 C CA -0.784 58.318 59.018 0.140 0.000 1.291 282 C CB 0.992 28.779 27.740 0.078 0.000 1.606 282 C HN 1.197 nan 8.230 nan 0.000 0.463 283 R N -0.597 119.989 120.500 0.143 0.000 2.075 283 R HA 0.246 4.216 4.340 -0.617 0.000 0.220 283 R C -0.454 175.734 176.300 -0.188 0.000 1.118 283 R CA 0.868 56.900 56.100 -0.112 0.000 0.986 283 R CB 0.051 30.148 30.300 -0.339 0.000 0.884 283 R HN 0.771 nan 8.270 nan 0.000 0.439 284 Y N 0.567 121.017 120.300 0.250 0.000 2.335 284 Y HA 0.417 4.597 4.550 -0.617 0.000 0.338 284 Y C -0.751 175.270 175.900 0.201 0.000 0.977 284 Y CA -1.224 57.028 58.100 0.253 0.000 1.114 284 Y CB 1.771 40.470 38.460 0.398 0.000 1.182 284 Y HN -0.040 nan 8.280 nan 0.000 0.463 285 L N 4.748 126.024 121.223 0.089 0.000 2.349 285 L HA 0.640 4.610 4.340 -0.617 0.000 0.278 285 L C -1.898 174.881 176.870 -0.153 0.000 0.996 285 L CA -0.932 53.896 54.840 -0.020 0.000 0.825 285 L CB 0.406 42.299 42.059 -0.277 0.000 1.243 285 L HN 0.449 nan 8.230 nan 0.000 0.412 286 F N 5.678 125.679 119.950 0.087 0.000 2.426 286 F HA 0.515 4.672 4.527 -0.617 0.000 0.348 286 F C -0.488 175.318 175.800 0.009 0.000 1.124 286 F CA -0.738 57.320 58.000 0.096 0.000 1.008 286 F CB 1.571 40.617 39.000 0.077 0.000 1.139 286 F HN 0.187 nan 8.300 nan 0.000 0.452 287 L N 3.032 124.327 121.223 0.120 0.000 2.257 287 L HA 0.519 4.489 4.340 -0.617 0.000 0.290 287 L C 0.772 177.683 176.870 0.068 0.000 1.044 287 L CA 0.007 54.877 54.840 0.049 0.000 0.810 287 L CB 1.194 43.240 42.059 -0.021 0.000 1.193 287 L HN 0.804 nan 8.230 nan 0.000 0.425 288 G N 1.912 110.740 108.800 0.046 0.000 4.543 288 G HA2 0.394 3.984 3.960 -0.617 0.000 0.286 288 G HA3 0.394 3.984 3.960 -0.617 0.000 0.286 288 G C 0.653 175.559 174.900 0.010 0.000 1.112 288 G CA 0.414 45.531 45.100 0.029 0.000 0.870 288 G HN 0.697 nan 8.290 nan 0.000 0.540 289 A N -0.034 122.787 122.820 0.002 0.000 2.278 289 A HA 0.611 4.561 4.320 -0.617 0.000 0.212 289 A C 1.478 179.060 177.584 -0.004 0.000 1.213 289 A CA 0.929 52.959 52.037 -0.012 0.000 0.840 289 A CB -0.453 18.532 19.000 -0.025 0.000 0.866 289 A HN 1.882 nan 8.150 nan 0.000 0.489 290 G N -1.400 107.411 108.800 0.019 0.000 2.746 290 G HA2 -0.044 3.546 3.960 -0.617 0.000 0.685 290 G HA3 -0.044 3.546 3.960 -0.617 0.000 0.685 290 G C 0.745 175.673 174.900 0.047 0.000 1.350 290 G CA 0.226 45.357 45.100 0.051 0.000 0.837 290 G HN 1.012 nan 8.290 nan 0.000 0.564 291 S N -0.818 114.946 115.700 0.107 0.000 2.372 291 S HA -0.190 3.910 4.470 -0.617 0.000 0.227 291 S C 2.567 177.177 174.600 0.016 0.000 1.044 291 S CA 2.692 60.981 58.200 0.149 0.000 1.050 291 S CB -0.308 63.090 63.200 0.331 0.000 0.901 291 S HN 0.936 nan 8.310 nan 0.000 0.447 292 L N 1.088 122.335 121.223 0.039 0.000 2.023 292 L HA 0.204 4.174 4.340 -0.617 0.000 0.205 292 L C 2.836 179.592 176.870 -0.190 0.000 1.073 292 L CA 1.961 56.731 54.840 -0.117 0.000 0.745 292 L CB -1.527 40.598 42.059 0.109 0.000 0.900 292 L HN 0.453 nan 8.230 nan 0.000 0.435 293 G N -1.964 106.789 108.800 -0.078 0.000 2.394 293 G HA2 -0.171 3.419 3.960 -0.617 0.000 0.215 293 G HA3 -0.171 3.419 3.960 -0.617 0.000 0.215 293 G C 1.708 176.552 174.900 -0.095 0.000 1.165 293 G CA 0.859 45.915 45.100 -0.073 0.000 0.784 293 G HN 0.379 nan 8.290 nan 0.000 0.535 294 S N 0.464 116.111 115.700 -0.088 0.000 2.355 294 S HA -0.102 3.998 4.470 -0.617 0.000 0.222 294 S C 2.577 177.097 174.600 -0.134 0.000 1.031 294 S CA 1.703 59.851 58.200 -0.086 0.000 0.993 294 S CB -0.456 62.714 63.200 -0.050 0.000 0.859 294 S HN 0.426 nan 8.310 nan 0.000 0.453 295 T N 1.748 116.175 114.554 -0.212 0.000 2.746 295 T HA -0.132 3.848 4.350 -0.617 0.000 0.267 295 T C 1.813 176.349 174.700 -0.274 0.000 1.039 295 T CA 1.483 63.410 62.100 -0.288 0.000 1.142 295 T CB -0.312 68.220 68.868 -0.560 0.000 0.866 295 T HN 0.564 nan 8.240 nan 0.000 0.444 296 E N 0.751 120.780 120.200 -0.285 0.000 2.058 296 E HA -0.127 3.853 4.350 -0.617 0.000 0.194 296 E C 2.136 178.682 176.600 -0.090 0.000 0.997 296 E CA 0.944 57.261 56.400 -0.139 0.000 0.801 296 E CB -0.287 29.370 29.700 -0.071 0.000 0.746 296 E HN 0.424 nan 8.360 nan 0.000 0.450 297 L N 0.442 121.605 121.223 -0.100 0.000 2.042 297 L HA -0.228 3.742 4.340 -0.617 0.000 0.210 297 L C 2.552 179.343 176.870 -0.130 0.000 1.076 297 L CA 1.078 55.859 54.840 -0.099 0.000 0.749 297 L CB -0.309 41.696 42.059 -0.090 0.000 0.893 297 L HN 0.285 nan 8.230 nan 0.000 0.432 298 L N -0.903 120.242 121.223 -0.130 0.000 2.095 298 L HA -0.124 3.846 4.340 -0.617 0.000 0.204 298 L C 2.624 179.418 176.870 -0.125 0.000 1.080 298 L CA 0.898 55.660 54.840 -0.130 0.000 0.759 298 L CB -0.641 41.354 42.059 -0.107 0.000 0.914 298 L HN 0.230 nan 8.230 nan 0.000 0.439 299 V N -1.661 118.190 119.914 -0.105 0.000 2.343 299 V HA -0.267 3.483 4.120 -0.617 0.000 0.247 299 V C 2.614 178.537 176.094 -0.285 0.000 1.051 299 V CA 1.820 64.068 62.300 -0.088 0.000 1.036 299 V CB -0.921 30.923 31.823 0.035 0.000 0.654 299 V HN 0.451 nan 8.190 nan 0.000 0.451 300 R N 1.202 121.470 120.500 -0.388 0.000 2.080 300 R HA -0.135 3.835 4.340 -0.617 0.000 0.236 300 R C 2.365 178.363 176.300 -0.504 0.000 1.137 300 R CA 2.030 57.659 56.100 -0.786 0.000 0.943 300 R CB -0.774 29.288 30.300 -0.396 0.000 0.846 300 R HN 0.569 nan 8.270 nan 0.000 0.431 301 A N 1.253 123.905 122.820 -0.280 0.000 1.908 301 A HA -0.207 3.743 4.320 -0.617 0.000 0.218 301 A C 2.256 179.745 177.584 -0.160 0.000 1.181 301 A CA 1.560 53.481 52.037 -0.194 0.000 0.627 301 A CB -0.644 18.255 19.000 -0.170 0.000 0.818 301 A HN 0.469 nan 8.150 nan 0.000 0.445 302 R N -0.322 120.091 120.500 -0.145 0.000 2.070 302 R HA -0.162 3.808 4.340 -0.617 0.000 0.232 302 R C 1.288 177.539 176.300 -0.081 0.000 1.138 302 R CA 1.983 58.040 56.100 -0.073 0.000 0.936 302 R CB -0.355 29.922 30.300 -0.038 0.000 0.839 302 R HN 0.451 nan 8.270 nan 0.000 0.429 303 D N -0.530 119.781 120.400 -0.149 0.000 2.277 303 D HA -0.084 4.186 4.640 -0.617 0.000 0.208 303 D C 1.585 177.846 176.300 -0.065 0.000 0.962 303 D CA 1.604 55.563 54.000 -0.069 0.000 0.865 303 D CB -0.004 40.812 40.800 0.025 0.000 0.939 303 D HN 0.461 nan 8.370 nan 0.000 0.510 304 T N -3.124 111.334 114.554 -0.160 0.000 3.129 304 T HA 0.330 4.310 4.350 -0.617 0.000 0.251 304 T C 1.609 176.288 174.700 -0.035 0.000 1.117 304 T CA 0.552 62.613 62.100 -0.065 0.000 1.034 304 T CB 0.301 69.115 68.868 -0.090 0.000 0.968 304 T HN 0.182 nan 8.240 nan 0.000 0.526 305 G N 1.338 110.116 108.800 -0.037 0.000 2.143 305 G HA2 -0.333 3.257 3.960 -0.617 0.000 0.249 305 G HA3 -0.333 3.257 3.960 -0.617 0.000 0.249 305 G C 0.925 175.821 174.900 -0.006 0.000 0.981 305 G CA 0.912 46.007 45.100 -0.008 0.000 0.665 305 G HN 0.950 nan 8.290 nan 0.000 0.528 306 T N -2.016 112.519 114.554 -0.031 0.000 3.054 306 T HA 0.469 4.449 4.350 -0.617 0.000 0.259 306 T C 1.124 175.809 174.700 -0.025 0.000 1.092 306 T CA 0.929 63.013 62.100 -0.026 0.000 1.121 306 T CB 0.191 69.034 68.868 -0.043 0.000 0.912 306 T HN 0.541 nan 8.240 nan 0.000 0.489 307 L N 2.162 123.361 121.223 -0.039 0.000 2.594 307 L HA 0.365 4.335 4.340 -0.617 0.000 0.245 307 L C -1.964 174.983 176.870 0.129 0.000 1.460 307 L CA -1.883 52.937 54.840 -0.033 0.000 0.865 307 L CB 1.854 43.730 42.059 -0.305 0.000 1.131 307 L HN -0.044 nan 8.230 nan 0.000 0.506 308 P HA -0.075 nan 4.420 nan 0.000 0.230 308 P C 0.445 177.821 177.300 0.126 0.000 1.158 308 P CA 0.957 64.121 63.100 0.107 0.000 0.769 308 P CB 0.301 32.044 31.700 0.072 0.000 0.807 309 N N -0.386 118.443 118.700 0.215 0.000 2.268 309 N HA 0.127 4.497 4.740 -0.617 0.000 0.204 309 N C 0.598 176.193 175.510 0.142 0.000 1.124 309 N CA -0.046 53.042 53.050 0.063 0.000 0.838 309 N CB -0.177 38.179 38.487 -0.218 0.000 0.994 309 N HN 0.252 nan 8.380 nan 0.000 0.489 310 L N 1.628 123.010 121.223 0.265 0.000 2.461 310 L HA 0.036 4.006 4.340 -0.617 0.000 0.272 310 L C 0.936 177.856 176.870 0.084 0.000 1.197 310 L CA -0.419 54.527 54.840 0.176 0.000 0.836 310 L CB 0.216 42.340 42.059 0.109 0.000 1.105 310 L HN 0.198 nan 8.230 nan 0.000 0.477 311 N N -0.091 118.647 118.700 0.063 0.000 2.405 311 N HA 0.074 4.444 4.740 -0.617 0.000 0.269 311 N C 0.662 176.197 175.510 0.042 0.000 1.249 311 N CA -0.212 52.864 53.050 0.042 0.000 0.974 311 N CB 0.645 39.151 38.487 0.033 0.000 1.204 311 N HN 0.531 nan 8.380 nan 0.000 0.565 312 S N -1.732 113.990 115.700 0.037 0.000 2.481 312 S HA -0.034 4.066 4.470 -0.617 0.000 0.231 312 S C 0.850 175.478 174.600 0.048 0.000 0.996 312 S CA 0.351 58.576 58.200 0.041 0.000 0.942 312 S CB -0.345 62.876 63.200 0.035 0.000 0.768 312 S HN 0.575 nan 8.310 nan 0.000 0.520 313 E N 1.299 121.527 120.200 0.046 0.000 2.435 313 E HA 0.168 4.148 4.350 -0.617 0.000 0.195 313 E C 0.157 176.795 176.600 0.064 0.000 1.029 313 E CA 0.019 56.451 56.400 0.053 0.000 0.865 313 E CB -0.108 29.618 29.700 0.043 0.000 0.833 313 E HN 0.388 nan 8.360 nan 0.000 0.510 314 V N 1.079 121.025 119.914 0.055 0.000 2.540 314 V HA 0.200 3.950 4.120 -0.617 0.000 0.297 314 V C 1.542 177.684 176.094 0.081 0.000 1.024 314 V CA 1.294 63.625 62.300 0.052 0.000 1.105 314 V CB 0.506 32.346 31.823 0.027 0.000 0.938 314 V HN 0.519 nan 8.190 nan 0.000 0.482 315 G N 3.707 112.576 108.800 0.115 0.000 2.254 315 G HA2 -0.104 3.486 3.960 -0.617 0.000 0.225 315 G HA3 -0.104 3.486 3.960 -0.617 0.000 0.225 315 G C 0.410 175.474 174.900 0.274 0.000 1.003 315 G CA 0.203 45.431 45.100 0.213 0.000 0.622 315 G HN 1.393 nan 8.290 nan 0.000 0.507 316 A N -0.203 122.731 122.820 0.190 0.000 2.257 316 A HA 0.794 4.744 4.320 -0.617 0.000 0.289 316 A C 1.885 179.592 177.584 0.204 0.000 1.095 316 A CA 1.183 53.323 52.037 0.173 0.000 0.836 316 A CB 0.359 19.426 19.000 0.112 0.000 1.111 316 A HN 2.309 nan 8.150 nan 0.000 0.497 317 G N -1.945 106.967 108.800 0.186 0.000 2.160 317 G HA2 -0.233 3.357 3.960 -0.617 0.000 0.244 317 G HA3 -0.233 3.357 3.960 -0.617 0.000 0.244 317 G C -0.124 174.899 174.900 0.205 0.000 1.022 317 G CA 0.520 45.717 45.100 0.161 0.000 0.741 317 G HN 1.301 nan 8.290 nan 0.000 0.508 318 W N 0.724 122.073 121.300 0.082 0.000 2.315 318 W HA 0.588 4.877 4.660 -0.618 0.000 0.316 318 W C 0.543 177.062 176.519 0.001 0.000 1.211 318 W CA 0.593 57.968 57.345 0.051 0.000 1.201 318 W CB 1.287 30.731 29.460 -0.026 0.000 1.184 318 W HN 0.630 nan 8.180 nan 0.000 0.544 319 G N 5.111 113.315 108.800 -0.994 0.000 2.690 319 G HA2 0.433 4.023 3.960 -0.617 0.000 0.293 319 G HA3 0.433 4.023 3.960 -0.617 0.000 0.293 319 G C -2.783 171.123 174.900 -1.657 0.000 1.399 319 G CA -1.231 43.194 45.100 -1.125 0.000 0.890 319 G HN 0.272 nan 8.290 nan 0.000 0.485 320 P HA 0.108 nan 4.420 nan 0.000 0.249 320 P C 0.372 177.415 177.300 -0.428 0.000 1.544 320 P CA -0.366 62.204 63.100 -0.883 0.000 0.932 320 P CB 0.039 31.309 31.700 -0.717 0.000 1.524 321 N N 0.990 119.497 118.700 -0.322 0.000 2.708 321 N HA -0.203 4.167 4.740 -0.617 0.000 0.249 321 N C 0.946 176.439 175.510 -0.027 0.000 1.097 321 N CA 1.380 54.375 53.050 -0.092 0.000 0.710 321 N CB -1.962 36.554 38.487 0.049 0.000 1.032 321 N HN 0.390 nan 8.380 nan 0.000 0.551 322 G N -0.926 107.833 108.800 -0.069 0.000 2.203 322 G HA2 -0.380 3.210 3.960 -0.617 0.000 0.263 322 G HA3 -0.380 3.210 3.960 -0.617 0.000 0.263 322 G C -0.013 174.875 174.900 -0.020 0.000 1.012 322 G CA 0.442 45.548 45.100 0.010 0.000 0.749 322 G HN 0.784 nan 8.290 nan 0.000 0.512 323 N N 0.075 118.674 118.700 -0.168 0.000 2.468 323 N HA 0.418 4.788 4.740 -0.617 0.000 0.265 323 N C -0.088 175.287 175.510 -0.225 0.000 1.199 323 N CA -0.050 52.850 53.050 -0.251 0.000 0.928 323 N CB 0.519 38.633 38.487 -0.622 0.000 1.059 323 N HN 0.120 nan 8.380 nan 0.000 0.467 324 I N 2.594 123.196 120.570 0.052 0.000 2.656 324 I HA 0.259 4.059 4.170 -0.617 0.000 0.292 324 I C -0.500 175.812 176.117 0.324 0.000 1.144 324 I CA -0.515 60.911 61.300 0.211 0.000 1.038 324 I CB 1.875 40.006 38.000 0.219 0.000 1.244 324 I HN 0.474 nan 8.210 nan 0.000 0.420 325 M N 4.563 124.333 119.600 0.283 0.000 2.336 325 M HA 0.602 4.711 4.480 -0.617 0.000 0.342 325 M C -0.355 175.991 176.300 0.076 0.000 1.128 325 M CA 0.355 55.702 55.300 0.077 0.000 1.016 325 M CB 1.573 34.008 32.600 -0.274 0.000 1.665 325 M HN 0.728 nan 8.290 nan 0.000 0.445 326 T N 2.680 117.285 114.554 0.085 0.000 2.816 326 T HA 0.959 4.939 4.350 -0.617 0.000 0.299 326 T C -2.158 172.520 174.700 -0.036 0.000 1.230 326 T CA -0.356 61.683 62.100 -0.101 0.000 1.007 326 T CB 1.328 69.884 68.868 -0.520 0.000 1.289 326 T HN 0.916 nan 8.240 nan 0.000 0.508 327 A N 1.881 124.639 122.820 -0.102 0.000 2.549 327 A HA 0.854 4.804 4.320 -0.617 0.000 0.297 327 A C -1.165 176.438 177.584 0.030 0.000 1.061 327 A CA -0.764 51.249 52.037 -0.040 0.000 0.690 327 A CB 1.557 20.477 19.000 -0.133 0.000 1.287 327 A HN 0.787 nan 8.150 nan 0.000 0.402 328 R N 0.482 121.024 120.500 0.071 0.000 2.637 328 R HA 0.694 4.664 4.340 -0.617 0.000 0.291 328 R C -0.277 176.012 176.300 -0.018 0.000 0.963 328 R CA -0.548 55.564 56.100 0.020 0.000 0.901 328 R CB 2.269 32.611 30.300 0.070 0.000 1.160 328 R HN 0.895 nan 8.270 nan 0.000 0.457 329 A N 3.201 125.990 122.820 -0.052 0.000 2.302 329 A HA 0.236 4.186 4.320 -0.617 0.000 0.295 329 A C -0.271 177.238 177.584 -0.125 0.000 1.235 329 A CA -0.625 51.385 52.037 -0.044 0.000 0.876 329 A CB 0.142 19.123 19.000 -0.032 0.000 1.133 329 A HN 0.672 nan 8.150 nan 0.000 0.533 330 N N 1.541 120.190 118.700 -0.084 0.000 2.467 330 N HA 0.109 4.479 4.740 -0.617 0.000 0.262 330 N C -0.229 175.088 175.510 -0.321 0.000 1.234 330 N CA -0.175 52.759 53.050 -0.193 0.000 0.952 330 N CB 0.363 38.831 38.487 -0.032 0.000 1.158 330 N HN 0.650 nan 8.380 nan 0.000 0.463 331 H N 1.412 120.204 119.070 -0.464 0.000 2.852 331 H HA -0.003 4.183 4.556 -0.617 0.000 0.362 331 H C 1.519 176.384 175.328 -0.773 0.000 1.122 331 H CA 0.300 55.775 56.048 -0.954 0.000 1.419 331 H CB 0.760 29.287 29.762 -2.060 0.000 1.401 331 H HN 0.438 nan 8.280 nan 0.000 0.609 332 M N 0.945 120.192 119.600 -0.588 0.000 2.202 332 M HA -0.165 3.945 4.480 -0.617 0.000 0.262 332 M C 1.630 178.014 176.300 0.139 0.000 1.063 332 M CA 1.535 56.626 55.300 -0.348 0.000 1.097 332 M CB -0.492 31.963 32.600 -0.242 0.000 1.382 332 M HN 0.745 nan 8.290 nan 0.000 0.413 333 W N 0.101 121.490 121.300 0.149 0.000 2.961 333 W HA 0.068 4.367 4.660 -0.601 0.000 0.240 333 W C 0.033 176.657 176.519 0.174 0.000 1.305 333 W CA -0.075 57.355 57.345 0.140 0.000 1.465 333 W CB -0.826 28.673 29.460 0.065 0.000 1.135 333 W HN 0.052 nan 8.180 nan 0.000 0.688 334 N N 2.270 121.027 118.700 0.094 0.000 2.818 334 N HA 0.191 4.561 4.740 -0.617 0.000 0.301 334 N C -2.713 172.871 175.510 0.124 0.000 1.821 334 N CA -1.588 51.523 53.050 0.101 0.000 0.930 334 N CB 0.251 38.746 38.487 0.013 0.000 1.263 334 N HN -0.014 nan 8.380 nan 0.000 0.487 335 P HA 0.048 nan 4.420 nan 0.000 0.269 335 P C 0.829 178.000 177.300 -0.215 0.000 1.209 335 P CA 0.078 63.032 63.100 -0.244 0.000 0.776 335 P CB 0.953 32.467 31.700 -0.311 0.000 0.876 336 T N -1.714 112.652 114.554 -0.312 0.000 3.044 336 T HA 0.390 4.370 4.350 -0.617 0.000 0.250 336 T C 0.847 175.426 174.700 -0.201 0.000 1.081 336 T CA 0.304 62.298 62.100 -0.177 0.000 1.040 336 T CB -0.681 68.109 68.868 -0.130 0.000 0.962 336 T HN 0.857 nan 8.240 nan 0.000 0.506 337 G N 0.250 108.848 108.800 -0.336 0.000 2.697 337 G HA2 0.285 3.875 3.960 -0.617 0.000 0.686 337 G HA3 0.285 3.875 3.960 -0.617 0.000 0.686 337 G C 0.489 175.151 174.900 -0.396 0.000 1.179 337 G CA -0.487 44.406 45.100 -0.345 0.000 0.765 337 G HN 0.714 nan 8.290 nan 0.000 0.649 338 A N 1.031 123.580 122.820 -0.451 0.000 2.067 338 A HA 0.296 4.246 4.320 -0.617 0.000 0.217 338 A C 0.930 178.328 177.584 -0.310 0.000 1.156 338 A CA 1.489 53.263 52.037 -0.438 0.000 0.683 338 A CB -0.083 18.605 19.000 -0.521 0.000 0.808 338 A HN 0.917 nan 8.150 nan 0.000 0.455 339 H N 0.730 119.527 119.070 -0.454 0.000 2.623 339 H HA 0.519 4.708 4.556 -0.610 0.000 0.299 339 H C -0.761 174.319 175.328 -0.414 0.000 1.052 339 H CA -0.408 55.239 56.048 -0.669 0.000 1.231 339 H CB 0.352 29.270 29.762 -1.407 0.000 1.389 339 H HN 0.446 nan 8.280 nan 0.000 0.469 340 Q N 1.698 121.509 119.800 0.018 0.000 2.309 340 Q HA 0.262 4.232 4.340 -0.617 0.000 0.270 340 Q C -0.105 175.956 176.000 0.101 0.000 1.023 340 Q CA -0.694 55.088 55.803 -0.035 0.000 0.758 340 Q CB 2.886 31.352 28.738 -0.454 0.000 1.247 340 Q HN 0.504 nan 8.270 nan 0.000 0.455 341 S N 0.953 116.732 115.700 0.132 0.000 2.552 341 S HA -0.042 4.058 4.470 -0.617 0.000 0.289 341 S C 1.303 175.857 174.600 -0.077 0.000 1.304 341 S CA 0.408 58.586 58.200 -0.036 0.000 1.063 341 S CB 0.560 63.596 63.200 -0.274 0.000 0.848 341 S HN 0.761 nan 8.310 nan 0.000 0.499 342 S N 4.731 120.375 115.700 -0.095 0.000 2.481 342 S HA 0.091 4.191 4.470 -0.617 0.000 0.231 342 S C 0.636 175.219 174.600 -0.027 0.000 0.996 342 S CA 0.148 58.289 58.200 -0.097 0.000 0.942 342 S CB -0.235 62.898 63.200 -0.112 0.000 0.768 342 S HN 0.629 nan 8.310 nan 0.000 0.520 343 I N 3.546 124.137 120.570 0.035 0.000 2.312 343 I HA 0.453 4.253 4.170 -0.617 0.000 0.290 343 I C -2.719 173.657 176.117 0.431 0.000 1.008 343 I CA -2.936 58.450 61.300 0.143 0.000 1.226 343 I CB 0.745 38.726 38.000 -0.032 0.000 1.371 343 I HN 0.008 nan 8.210 nan 0.000 0.468 344 P HA 0.181 nan 4.420 nan 0.000 0.271 344 P C 0.108 177.694 177.300 0.478 0.000 1.216 344 P CA -0.093 63.321 63.100 0.523 0.000 0.776 344 P CB 1.153 33.083 31.700 0.382 0.000 0.881 345 A N 2.577 125.633 122.820 0.394 0.000 2.287 345 A HA 0.307 4.257 4.320 -0.617 0.000 0.214 345 A C 0.059 177.629 177.584 -0.024 0.000 1.228 345 A CA 0.506 52.622 52.037 0.132 0.000 0.939 345 A CB -0.029 18.806 19.000 -0.275 0.000 0.992 345 A HN 0.462 nan 8.150 nan 0.000 0.502 346 L N -0.937 120.286 121.223 -0.001 0.000 2.422 346 L HA 0.774 4.744 4.340 -0.617 0.000 0.264 346 L C -0.113 176.736 176.870 -0.035 0.000 0.984 346 L CA -0.087 54.657 54.840 -0.159 0.000 0.819 346 L CB 2.004 43.906 42.059 -0.263 0.000 1.330 346 L HN 0.156 nan 8.230 nan 0.000 0.410 347 G N 3.473 112.192 108.800 -0.135 0.000 2.569 347 G HA2 0.636 4.226 3.960 -0.617 0.000 0.300 347 G HA3 0.636 4.226 3.960 -0.617 0.000 0.300 347 G C -1.361 173.328 174.900 -0.351 0.000 1.269 347 G CA -0.627 44.327 45.100 -0.244 0.000 0.959 347 G HN 0.529 nan 8.290 nan 0.000 0.478 348 I N 1.327 121.682 120.570 -0.358 0.000 2.304 348 I HA 0.170 3.970 4.170 -0.617 0.000 0.291 348 I C -0.696 175.159 176.117 -0.437 0.000 1.018 348 I CA -0.510 60.611 61.300 -0.297 0.000 1.260 348 I CB 1.643 39.539 38.000 -0.173 0.000 1.390 348 I HN 0.253 nan 8.210 nan 0.000 0.475 349 D N 6.965 127.170 120.400 -0.326 0.000 2.441 349 D HA 0.393 4.663 4.640 -0.617 0.000 0.221 349 D C 0.035 176.304 176.300 -0.051 0.000 1.156 349 D CA -0.131 53.763 54.000 -0.177 0.000 0.896 349 D CB 1.285 42.052 40.800 -0.055 0.000 1.028 349 D HN 0.629 nan 8.370 nan 0.000 0.509 350 A N 5.334 128.156 122.820 0.004 0.000 2.812 350 A HA 0.144 4.094 4.320 -0.617 0.000 0.294 350 A C -0.582 177.032 177.584 0.050 0.000 1.014 350 A CA -0.785 51.246 52.037 -0.009 0.000 1.024 350 A CB -0.022 18.921 19.000 -0.094 0.000 1.162 350 A HN 0.527 nan 8.150 nan 0.000 0.511 351 W N 2.444 123.730 121.300 -0.023 0.000 2.294 351 W HA 0.422 4.711 4.660 -0.619 0.000 0.314 351 W C -0.996 175.499 176.519 -0.039 0.000 1.044 351 W CA -0.289 57.038 57.345 -0.029 0.000 1.284 351 W CB 1.441 30.909 29.460 0.013 0.000 1.231 351 W HN 0.579 nan 8.180 nan 0.000 0.419 352 D N 3.385 123.671 120.400 -0.190 0.000 2.540 352 D HA 0.011 4.281 4.640 -0.617 0.000 0.229 352 D C 0.298 176.541 176.300 -0.095 0.000 1.250 352 D CA -0.172 53.805 54.000 -0.039 0.000 0.817 352 D CB -0.218 40.553 40.800 -0.049 0.000 1.060 352 D HN 0.378 nan 8.370 nan 0.000 0.508 353 N N -0.378 118.106 118.700 -0.359 0.000 2.994 353 N HA -0.156 4.214 4.740 -0.617 0.000 0.221 353 N C 0.104 175.470 175.510 -0.239 0.000 0.900 353 N CA 1.155 54.080 53.050 -0.209 0.000 1.008 353 N CB -1.851 36.739 38.487 0.172 0.000 1.053 353 N HN 0.557 nan 8.380 nan 0.000 0.580 354 S N -0.113 115.409 115.700 -0.297 0.000 2.655 354 S HA 0.342 4.442 4.470 -0.617 0.000 0.265 354 S C 0.803 175.228 174.600 -0.292 0.000 1.240 354 S CA -0.257 57.812 58.200 -0.219 0.000 0.986 354 S CB 1.297 64.398 63.200 -0.166 0.000 0.985 354 S HN 0.022 nan 8.310 nan 0.000 0.562 355 D N 0.657 120.944 120.400 -0.188 0.000 2.371 355 D HA 0.006 4.276 4.640 -0.617 0.000 0.221 355 D C 1.656 177.831 176.300 -0.208 0.000 0.986 355 D CA 1.071 54.961 54.000 -0.183 0.000 0.899 355 D CB -0.280 40.458 40.800 -0.103 0.000 0.902 355 D HN 0.658 nan 8.370 nan 0.000 0.530 356 S N -0.932 114.638 115.700 -0.217 0.000 2.593 356 S HA 0.072 4.172 4.470 -0.617 0.000 0.217 356 S C 0.953 175.391 174.600 -0.271 0.000 0.966 356 S CA -0.467 57.614 58.200 -0.199 0.000 0.914 356 S CB 0.094 63.203 63.200 -0.150 0.000 0.776 356 S HN -0.167 nan 8.310 nan 0.000 0.523 357 S N 1.562 116.982 115.700 -0.466 0.000 2.552 357 S HA 0.377 4.477 4.470 -0.617 0.000 0.289 357 S C -0.269 174.109 174.600 -0.370 0.000 1.304 357 S CA -0.227 57.574 58.200 -0.666 0.000 1.063 357 S CB 0.773 62.933 63.200 -1.734 0.000 0.848 357 S HN 0.362 nan 8.310 nan 0.000 0.499 358 V N 4.184 124.057 119.914 -0.068 0.000 2.733 358 V HA 0.439 4.189 4.120 -0.617 0.000 0.306 358 V C -0.951 175.366 176.094 0.372 0.000 1.084 358 V CA -0.788 61.623 62.300 0.184 0.000 0.905 358 V CB 1.697 33.550 31.823 0.050 0.000 1.010 358 V HN 0.824 nan 8.190 nan 0.000 0.424 359 F N 4.121 124.285 119.950 0.357 0.000 2.426 359 F HA 0.831 4.988 4.527 -0.617 0.000 0.348 359 F C 0.169 176.094 175.800 0.207 0.000 1.124 359 F CA -0.408 57.724 58.000 0.219 0.000 1.008 359 F CB 1.222 40.292 39.000 0.116 0.000 1.139 359 F HN 0.610 nan 8.300 nan 0.000 0.452 360 A N 5.938 128.804 122.820 0.078 0.000 2.304 360 A HA 0.346 4.296 4.320 -0.617 0.000 0.314 360 A C -0.690 177.035 177.584 0.234 0.000 1.187 360 A CA -0.694 51.517 52.037 0.290 0.000 0.810 360 A CB 0.842 20.081 19.000 0.397 0.000 1.183 360 A HN 0.817 nan 8.150 nan 0.000 0.487 361 E N 2.986 123.425 120.200 0.399 0.000 2.344 361 E HA 0.233 4.213 4.350 -0.617 0.000 0.270 361 E C -0.895 175.917 176.600 0.352 0.000 1.021 361 E CA -0.184 56.432 56.400 0.360 0.000 0.887 361 E CB 0.401 30.329 29.700 0.380 0.000 0.997 361 E HN 0.578 nan 8.360 nan 0.000 0.429 362 I N 4.200 124.952 120.570 0.303 0.000 2.294 362 I HA 0.158 3.958 4.170 -0.617 0.000 0.295 362 I C 0.227 176.543 176.117 0.330 0.000 1.098 362 I CA -0.211 61.255 61.300 0.275 0.000 1.277 362 I CB 0.775 38.915 38.000 0.232 0.000 1.434 362 I HN 0.453 nan 8.210 nan 0.000 0.498 363 A N 9.766 132.686 122.820 0.167 0.000 2.309 363 A HA 0.675 4.625 4.320 -0.617 0.000 0.298 363 A C -2.391 175.154 177.584 -0.065 0.000 1.165 363 A CA -1.575 50.533 52.037 0.120 0.000 0.821 363 A CB 0.203 19.230 19.000 0.045 0.000 1.102 363 A HN 0.376 nan 8.150 nan 0.000 0.500 364 P HA 0.281 nan 4.420 nan 0.000 0.274 364 P C -0.668 176.347 177.300 -0.474 0.000 1.231 364 P CA -0.195 62.393 63.100 -0.854 0.000 0.790 364 P CB 0.792 32.005 31.700 -0.811 0.000 0.951 365 M N 4.386 123.684 119.600 -0.503 0.000 2.294 365 M HA 0.390 4.500 4.480 -0.617 0.000 0.335 365 M C -2.051 174.057 176.300 -0.320 0.000 1.079 365 M CA -2.454 52.633 55.300 -0.354 0.000 0.982 365 M CB 2.103 34.464 32.600 -0.398 0.000 1.651 365 M HN 0.099 nan 8.290 nan 0.000 0.437 366 P HA 0.110 nan 4.420 nan 0.000 0.249 366 P C 0.549 177.771 177.300 -0.130 0.000 1.229 366 P CA 0.564 63.576 63.100 -0.147 0.000 0.788 366 P CB -0.091 31.553 31.700 -0.093 0.000 1.072 367 A N 1.021 123.713 122.820 -0.213 0.000 1.978 367 A HA 0.060 4.010 4.320 -0.617 0.000 0.220 367 A C 2.042 179.532 177.584 -0.157 0.000 1.170 367 A CA 1.892 53.808 52.037 -0.202 0.000 0.636 367 A CB -1.752 16.919 19.000 -0.548 0.000 0.810 367 A HN 0.319 nan 8.150 nan 0.000 0.448 368 G N -2.315 106.378 108.800 -0.178 0.000 2.162 368 G HA2 -0.154 3.436 3.960 -0.617 0.000 0.260 368 G HA3 -0.154 3.436 3.960 -0.617 0.000 0.260 368 G C 0.117 174.928 174.900 -0.150 0.000 0.976 368 G CA 0.669 45.712 45.100 -0.094 0.000 0.655 368 G HN 1.615 nan 8.290 nan 0.000 0.533 369 L N -1.505 119.576 121.223 -0.237 0.000 2.350 369 L HA 1.005 4.975 4.340 -0.617 0.000 0.260 369 L C -0.316 176.319 176.870 -0.393 0.000 1.015 369 L CA -1.766 52.919 54.840 -0.257 0.000 0.821 369 L CB 1.209 43.178 42.059 -0.150 0.000 1.370 369 L HN 0.080 nan 8.230 nan 0.000 0.416 370 E N 0.711 120.647 120.200 -0.439 0.000 2.324 370 E HA 0.305 4.285 4.350 -0.617 0.000 0.271 370 E C 0.622 176.839 176.600 -0.639 0.000 1.028 370 E CA 0.865 56.853 56.400 -0.686 0.000 0.890 370 E CB 0.736 29.872 29.700 -0.939 0.000 1.004 370 E HN 0.811 nan 8.360 nan 0.000 0.431 371 T N 1.077 115.260 114.554 -0.619 0.000 2.975 371 T HA 0.065 4.045 4.350 -0.617 0.000 0.261 371 T C 0.464 175.222 174.700 0.097 0.000 0.984 371 T CA 0.002 61.949 62.100 -0.257 0.000 0.911 371 T CB -0.306 68.168 68.868 -0.656 0.000 1.127 371 T HN 0.658 nan 8.240 nan 0.000 0.514 372 W N 0.713 121.911 121.300 -0.170 0.000 3.207 372 W HA -0.229 4.171 4.660 -0.433 0.000 0.291 372 W C -0.648 175.783 176.519 -0.147 0.000 1.105 372 W CA -0.001 57.259 57.345 -0.142 0.000 0.612 372 W CB -2.146 27.244 29.460 -0.116 0.000 2.140 372 W HN 0.228 nan 8.180 nan 0.000 1.420 373 V N 1.257 121.136 119.914 -0.058 0.000 2.509 373 V HA 0.349 4.099 4.120 -0.617 0.000 0.284 373 V C 0.835 176.843 176.094 -0.144 0.000 1.047 373 V CA -0.015 62.236 62.300 -0.082 0.000 0.952 373 V CB 1.758 33.507 31.823 -0.123 0.000 0.988 373 V HN -0.012 nan 8.190 nan 0.000 0.469 374 S N 4.825 120.448 115.700 -0.128 0.000 2.442 374 S HA 0.652 4.752 4.470 -0.617 0.000 0.297 374 S C -0.602 173.735 174.600 -0.438 0.000 1.131 374 S CA -0.369 57.680 58.200 -0.252 0.000 1.092 374 S CB 1.221 64.329 63.200 -0.153 0.000 0.998 374 S HN 0.517 nan 8.310 nan 0.000 0.478 375 L N 4.102 124.990 121.223 -0.559 0.000 2.334 375 L HA 0.684 4.654 4.340 -0.617 0.000 0.276 375 L C -1.806 174.670 176.870 -0.657 0.000 1.014 375 L CA -0.398 54.169 54.840 -0.454 0.000 0.815 375 L CB 0.851 42.771 42.059 -0.232 0.000 1.268 375 L HN 0.626 nan 8.230 nan 0.000 0.428 376 Y N 4.325 124.603 120.300 -0.036 0.000 2.492 376 Y HA 0.580 4.768 4.550 -0.603 0.000 0.346 376 Y C -0.929 175.014 175.900 0.072 0.000 0.997 376 Y CA -0.909 57.206 58.100 0.025 0.000 1.025 376 Y CB 1.872 40.263 38.460 -0.115 0.000 1.263 376 Y HN 0.451 nan 8.280 nan 0.000 0.454 377 L N 3.240 124.649 121.223 0.311 0.000 2.295 377 L HA 0.867 4.837 4.340 -0.617 0.000 0.281 377 L C -0.371 176.711 176.870 0.353 0.000 1.018 377 L CA -0.544 54.465 54.840 0.282 0.000 0.841 377 L CB 0.290 42.497 42.059 0.246 0.000 1.218 377 L HN 0.717 nan 8.230 nan 0.000 0.424 378 A N 6.159 129.189 122.820 0.350 0.000 2.331 378 A HA 0.674 4.624 4.320 -0.617 0.000 0.283 378 A C -0.329 177.436 177.584 0.301 0.000 1.142 378 A CA -0.363 51.901 52.037 0.377 0.000 0.812 378 A CB 0.142 19.393 19.000 0.419 0.000 1.074 378 A HN 0.716 nan 8.150 nan 0.000 0.497 379 I N 2.660 123.436 120.570 0.344 0.000 2.362 379 I HA 0.393 4.193 4.170 -0.617 0.000 0.289 379 I C 0.528 176.899 176.117 0.423 0.000 0.994 379 I CA -0.182 61.303 61.300 0.309 0.000 1.158 379 I CB 1.940 40.094 38.000 0.256 0.000 1.315 379 I HN 0.829 nan 8.210 nan 0.000 0.451 380 T N 1.996 116.758 114.554 0.345 0.000 2.910 380 T HA 0.457 4.437 4.350 -0.617 0.000 0.287 380 T C -0.567 174.296 174.700 0.271 0.000 1.050 380 T CA -0.998 61.263 62.100 0.269 0.000 1.011 380 T CB 2.210 71.150 68.868 0.119 0.000 1.195 380 T HN 0.481 nan 8.240 nan 0.000 0.540 381 K N 1.595 122.005 120.400 0.017 0.000 2.354 381 K HA 0.340 4.289 4.320 -0.617 0.000 0.257 381 K C -1.019 175.599 176.600 0.030 0.000 1.062 381 K CA -0.557 55.751 56.287 0.035 0.000 0.971 381 K CB 0.129 32.484 32.500 -0.241 0.000 1.305 381 K HN 0.622 nan 8.250 nan 0.000 0.449 382 N N 5.020 123.773 118.700 0.089 0.000 2.448 382 N HA 0.268 4.638 4.740 -0.617 0.000 0.279 382 N C -1.902 173.666 175.510 0.097 0.000 1.025 382 N CA -2.070 51.027 53.050 0.078 0.000 0.898 382 N CB 1.726 40.274 38.487 0.103 0.000 1.303 382 N HN 0.330 nan 8.380 nan 0.000 0.495 383 P HA -0.040 nan 4.420 nan 0.000 0.233 383 P C -0.235 177.116 177.300 0.084 0.000 1.167 383 P CA 0.507 63.650 63.100 0.072 0.000 0.770 383 P CB 0.424 32.150 31.700 0.043 0.000 0.837 384 Q N 1.091 120.947 119.800 0.094 0.000 2.361 384 Q HA 0.097 4.067 4.340 -0.617 0.000 0.276 384 Q C 0.409 176.563 176.000 0.258 0.000 1.022 384 Q CA 0.805 56.661 55.803 0.089 0.000 0.898 384 Q CB 0.626 29.346 28.738 -0.029 0.000 1.246 384 Q HN 0.183 nan 8.270 nan 0.000 0.410 385 R N 0.315 120.956 120.500 0.235 0.000 2.795 385 R HA 0.679 4.649 4.340 -0.617 0.000 0.275 385 R C -0.097 176.445 176.300 0.402 0.000 0.981 385 R CA -0.660 55.655 56.100 0.358 0.000 0.917 385 R CB 1.837 32.256 30.300 0.198 0.000 1.202 385 R HN 0.748 nan 8.270 nan 0.000 0.469 386 G N -0.183 108.972 108.800 0.591 0.000 2.552 386 G HA2 0.600 4.190 3.960 -0.617 0.000 0.324 386 G HA3 0.600 4.190 3.960 -0.617 0.000 0.324 386 G C -1.024 173.980 174.900 0.174 0.000 1.217 386 G CA -0.229 45.111 45.100 0.401 0.000 0.989 386 G HN 0.316 nan 8.290 nan 0.000 0.490 387 T N 0.239 114.790 114.554 -0.006 0.000 2.886 387 T HA 0.449 4.429 4.350 -0.617 0.000 0.292 387 T C -1.056 173.533 174.700 -0.185 0.000 1.012 387 T CA -0.164 61.927 62.100 -0.014 0.000 0.982 387 T CB 1.191 70.085 68.868 0.043 0.000 1.018 387 T HN 0.255 nan 8.240 nan 0.000 0.451 388 F N 1.871 121.790 119.950 -0.051 0.000 2.410 388 F HA 0.518 4.674 4.527 -0.617 0.000 0.348 388 F C 0.285 176.080 175.800 -0.009 0.000 1.106 388 F CA -0.664 57.280 58.000 -0.093 0.000 1.163 388 F CB 0.890 39.828 39.000 -0.103 0.000 1.129 388 F HN 0.136 nan 8.300 nan 0.000 0.516 389 V N 4.426 124.437 119.914 0.162 0.000 2.407 389 V HA 0.152 3.902 4.120 -0.617 0.000 0.291 389 V C -0.722 175.476 176.094 0.172 0.000 1.018 389 V CA -1.106 61.276 62.300 0.137 0.000 0.842 389 V CB 1.175 33.039 31.823 0.068 0.000 0.996 389 V HN 0.514 nan 8.190 nan 0.000 0.426 390 Y N 3.731 124.068 120.300 0.062 0.000 2.526 390 Y HA 0.236 4.416 4.550 -0.617 0.000 0.330 390 Y C 0.358 176.284 175.900 0.044 0.000 1.156 390 Y CA -0.338 57.792 58.100 0.051 0.000 1.419 390 Y CB 0.696 39.178 38.460 0.036 0.000 1.250 390 Y HN 0.770 nan 8.280 nan 0.000 0.540 391 D N 4.977 125.059 120.400 -0.529 0.000 2.443 391 D HA 0.363 4.633 4.640 -0.617 0.000 0.221 391 D C 0.538 176.322 176.300 -0.861 0.000 1.097 391 D CA 0.172 53.880 54.000 -0.487 0.000 0.865 391 D CB 0.950 41.608 40.800 -0.236 0.000 1.034 391 D HN 0.676 nan 8.370 nan 0.000 0.511 392 A N 3.737 126.150 122.820 -0.679 0.000 2.019 392 A HA 0.031 3.981 4.320 -0.617 0.000 0.219 392 A C 2.112 179.576 177.584 -0.199 0.000 1.164 392 A CA 1.566 53.355 52.037 -0.414 0.000 0.644 392 A CB -0.466 18.526 19.000 -0.012 0.000 0.805 392 A HN 0.626 nan 8.150 nan 0.000 0.449 393 A N -0.216 122.505 122.820 -0.166 0.000 1.877 393 A HA -0.108 3.842 4.320 -0.617 0.000 0.216 393 A C 2.344 179.879 177.584 -0.082 0.000 1.186 393 A CA 2.435 54.420 52.037 -0.087 0.000 0.620 393 A CB -1.114 17.846 19.000 -0.066 0.000 0.822 393 A HN 0.810 nan 8.150 nan 0.000 0.443 394 T N -4.448 110.038 114.554 -0.114 0.000 3.086 394 T HA 0.237 4.217 4.350 -0.617 0.000 0.250 394 T C 0.436 175.096 174.700 -0.066 0.000 1.074 394 T CA 0.929 62.985 62.100 -0.073 0.000 0.988 394 T CB -0.017 68.818 68.868 -0.055 0.000 0.988 394 T HN 0.467 nan 8.240 nan 0.000 0.530 395 D N 0.959 121.280 120.400 -0.132 0.000 2.723 395 D HA -0.148 4.122 4.640 -0.617 0.000 0.236 395 D C -0.714 175.628 176.300 0.070 0.000 1.138 395 D CA 0.466 54.460 54.000 -0.010 0.000 0.676 395 D CB -0.707 40.156 40.800 0.106 0.000 1.069 395 D HN 0.326 nan 8.370 nan 0.000 0.430 396 R N -0.209 120.257 120.500 -0.056 0.000 2.744 396 R HA 0.852 4.822 4.340 -0.617 0.000 0.279 396 R C -0.182 176.175 176.300 0.096 0.000 0.977 396 R CA -0.382 55.755 56.100 0.062 0.000 0.906 396 R CB 1.388 31.716 30.300 0.046 0.000 1.197 396 R HN 0.149 nan 8.270 nan 0.000 0.463 397 A N 2.589 125.539 122.820 0.216 0.000 2.401 397 A HA 0.401 4.351 4.320 -0.617 0.000 0.259 397 A C -0.229 177.513 177.584 0.263 0.000 1.103 397 A CA -0.156 52.032 52.037 0.250 0.000 0.789 397 A CB 0.339 19.474 19.000 0.225 0.000 1.035 397 A HN 0.498 nan 8.150 nan 0.000 0.491 398 K N 1.032 121.541 120.400 0.182 0.000 2.164 398 K HA 0.474 4.424 4.320 -0.617 0.000 0.258 398 K C -1.291 175.242 176.600 -0.111 0.000 0.951 398 K CA -0.757 55.596 56.287 0.110 0.000 0.844 398 K CB 1.842 34.379 32.500 0.060 0.000 1.099 398 K HN 0.500 nan 8.250 nan 0.000 0.435 399 L N 3.408 124.355 121.223 -0.460 0.000 2.262 399 L HA 0.278 4.248 4.340 -0.617 0.000 0.288 399 L C -0.979 175.649 176.870 -0.403 0.000 1.035 399 L CA -0.325 53.983 54.840 -0.887 0.000 0.820 399 L CB 0.561 41.620 42.059 -1.667 0.000 1.204 399 L HN 0.423 nan 8.230 nan 0.000 0.424 400 N N 6.396 124.929 118.700 -0.277 0.000 2.663 400 N HA 0.131 4.501 4.740 -0.617 0.000 0.250 400 N C -1.486 174.020 175.510 -0.006 0.000 1.129 400 N CA 0.056 53.047 53.050 -0.099 0.000 0.995 400 N CB 0.154 38.603 38.487 -0.062 0.000 1.324 400 N HN 0.607 nan 8.380 nan 0.000 0.512 401 W N 2.583 123.772 121.300 -0.186 0.000 2.839 401 W HA 0.322 4.612 4.660 -0.617 0.000 0.334 401 W C -0.741 175.751 176.519 -0.046 0.000 1.064 401 W CA -0.624 56.665 57.345 -0.093 0.000 1.236 401 W CB 1.691 31.090 29.460 -0.101 0.000 1.405 401 W HN 0.224 nan 8.180 nan 0.000 0.478 402 T N 2.060 116.316 114.554 -0.497 0.000 2.888 402 T HA 0.339 4.318 4.350 -0.617 0.000 0.284 402 T C 0.951 175.406 174.700 -0.408 0.000 1.017 402 T CA -0.711 61.211 62.100 -0.297 0.000 1.022 402 T CB 2.639 71.374 68.868 -0.221 0.000 1.013 402 T HN 0.649 nan 8.240 nan 0.000 0.465 403 R N 0.754 121.204 120.500 -0.083 0.000 2.105 403 R HA -0.150 3.820 4.340 -0.617 0.000 0.239 403 R C 1.685 177.950 176.300 -0.058 0.000 1.135 403 R CA 2.201 58.321 56.100 0.033 0.000 0.967 403 R CB -0.438 29.909 30.300 0.078 0.000 0.861 403 R HN 0.891 nan 8.270 nan 0.000 0.442 404 D N -0.104 120.222 120.400 -0.123 0.000 2.263 404 D HA -0.208 4.062 4.640 -0.617 0.000 0.208 404 D C 1.257 177.438 176.300 -0.199 0.000 0.971 404 D CA 1.087 55.013 54.000 -0.124 0.000 0.867 404 D CB -0.422 40.312 40.800 -0.110 0.000 0.929 404 D HN 0.394 nan 8.370 nan 0.000 0.492 405 Q N -0.524 119.032 119.800 -0.406 0.000 2.364 405 Q HA -0.019 3.951 4.340 -0.617 0.000 0.207 405 Q C 1.073 176.927 176.000 -0.243 0.000 0.970 405 Q CA 0.509 55.979 55.803 -0.555 0.000 0.888 405 Q CB -0.094 27.841 28.738 -1.339 0.000 0.951 405 Q HN 0.221 nan 8.270 nan 0.000 0.469 406 N N -0.078 118.622 118.700 0.001 0.000 2.398 406 N HA 0.079 4.449 4.740 -0.617 0.000 0.188 406 N C 1.061 176.605 175.510 0.057 0.000 1.122 406 N CA 0.345 53.507 53.050 0.187 0.000 0.866 406 N CB 0.255 38.917 38.487 0.292 0.000 0.970 406 N HN 0.206 nan 8.380 nan 0.000 0.462 407 A N 1.639 124.453 122.820 -0.010 0.000 1.908 407 A HA -0.078 3.872 4.320 -0.617 0.000 0.218 407 A C -0.302 177.259 177.584 -0.037 0.000 1.181 407 A CA 1.289 53.307 52.037 -0.032 0.000 0.627 407 A CB -1.295 17.677 19.000 -0.047 0.000 0.818 407 A HN 0.186 nan 8.150 nan 0.000 0.445 408 P HA -0.079 nan 4.420 nan 0.000 0.217 408 P C 1.698 178.984 177.300 -0.023 0.000 1.150 408 P CA 1.771 64.855 63.100 -0.027 0.000 0.832 408 P CB -0.090 31.602 31.700 -0.013 0.000 0.787 409 A N -0.502 122.326 122.820 0.013 0.000 1.873 409 A HA -0.147 3.803 4.320 -0.617 0.000 0.215 409 A C 2.335 179.908 177.584 -0.019 0.000 1.186 409 A CA 1.759 53.811 52.037 0.025 0.000 0.616 409 A CB -1.713 17.328 19.000 0.068 0.000 0.823 409 A HN 0.006 nan 8.150 nan 0.000 0.442 410 V N 1.188 121.068 119.914 -0.058 0.000 2.287 410 V HA -0.305 3.445 4.120 -0.617 0.000 0.248 410 V C 2.339 178.242 176.094 -0.319 0.000 1.053 410 V CA 2.281 64.454 62.300 -0.212 0.000 1.027 410 V CB -1.066 30.637 31.823 -0.199 0.000 0.646 410 V HN 0.561 nan 8.190 nan 0.000 0.447 411 N N 0.539 119.125 118.700 -0.190 0.000 2.104 411 N HA -0.133 4.237 4.740 -0.617 0.000 0.190 411 N C 1.861 177.291 175.510 -0.133 0.000 1.024 411 N CA 1.781 54.732 53.050 -0.165 0.000 0.853 411 N CB -0.622 37.804 38.487 -0.101 0.000 1.008 411 N HN 0.509 nan 8.380 nan 0.000 0.424 412 A N 0.892 123.656 122.820 -0.093 0.000 1.873 412 A HA 0.082 4.032 4.320 -0.617 0.000 0.215 412 A C 2.369 179.938 177.584 -0.024 0.000 1.186 412 A CA 1.916 53.913 52.037 -0.067 0.000 0.616 412 A CB -0.956 18.004 19.000 -0.066 0.000 0.823 412 A HN 0.308 nan 8.150 nan 0.000 0.442 413 A N -0.148 122.684 122.820 0.020 0.000 1.883 413 A HA -0.209 3.741 4.320 -0.617 0.000 0.217 413 A C 2.152 179.897 177.584 0.268 0.000 1.186 413 A CA 2.141 54.305 52.037 0.210 0.000 0.624 413 A CB -0.513 18.671 19.000 0.307 0.000 0.822 413 A HN 0.557 nan 8.150 nan 0.000 0.444 414 K N -0.413 119.923 120.400 -0.107 0.000 2.057 414 K HA -0.094 3.856 4.320 -0.617 0.000 0.207 414 K C 2.130 178.816 176.600 0.143 0.000 1.049 414 K CA 1.241 57.504 56.287 -0.041 0.000 0.931 414 K CB -0.330 31.884 32.500 -0.476 0.000 0.714 414 K HN 0.376 nan 8.250 nan 0.000 0.440 415 A N 1.638 124.472 122.820 0.023 0.000 1.933 415 A HA -0.147 3.803 4.320 -0.617 0.000 0.218 415 A C 2.065 179.647 177.584 -0.003 0.000 1.175 415 A CA 1.094 53.139 52.037 0.015 0.000 0.628 415 A CB -0.574 18.407 19.000 -0.032 0.000 0.814 415 A HN 0.399 nan 8.150 nan 0.000 0.444 416 L N -1.475 119.717 121.223 -0.051 0.000 2.005 416 L HA -0.083 3.887 4.340 -0.617 0.000 0.207 416 L C 2.255 178.952 176.870 -0.288 0.000 1.072 416 L CA 2.110 56.814 54.840 -0.228 0.000 0.744 416 L CB -0.954 40.877 42.059 -0.381 0.000 0.895 416 L HN 0.424 nan 8.230 nan 0.000 0.433 417 F N 0.608 120.612 119.950 0.090 0.000 2.325 417 F HA -0.127 4.033 4.527 -0.612 0.000 0.299 417 F C 2.245 178.091 175.800 0.077 0.000 1.090 417 F CA 0.791 58.842 58.000 0.085 0.000 1.392 417 F CB -0.458 38.696 39.000 0.256 0.000 1.053 417 F HN 0.181 nan 8.300 nan 0.000 0.521 418 D N 0.032 120.602 120.400 0.284 0.000 2.144 418 D HA -0.126 4.144 4.640 -0.617 0.000 0.199 418 D C 2.294 178.624 176.300 0.049 0.000 0.984 418 D CA 1.020 55.120 54.000 0.167 0.000 0.834 418 D CB -0.241 40.671 40.800 0.186 0.000 0.955 418 D HN 0.222 nan 8.370 nan 0.000 0.465 419 R N 0.061 120.566 120.500 0.007 0.000 2.081 419 R HA -0.015 3.955 4.340 -0.617 0.000 0.235 419 R C 2.487 178.766 176.300 -0.036 0.000 1.131 419 R CA 0.749 56.833 56.100 -0.028 0.000 0.960 419 R CB -0.217 30.044 30.300 -0.065 0.000 0.856 419 R HN 0.255 nan 8.270 nan 0.000 0.436 420 I N 1.033 121.569 120.570 -0.056 0.000 2.252 420 I HA -0.254 3.546 4.170 -0.617 0.000 0.245 420 I C 1.707 177.808 176.117 -0.027 0.000 1.102 420 I CA 1.002 62.278 61.300 -0.041 0.000 1.385 420 I CB -0.377 37.599 38.000 -0.041 0.000 1.064 420 I HN 0.157 nan 8.210 nan 0.000 0.414 421 N N 1.106 119.775 118.700 -0.053 0.000 2.166 421 N HA -0.199 4.171 4.740 -0.617 0.000 0.186 421 N C 1.782 177.274 175.510 -0.030 0.000 1.019 421 N CA 1.175 54.169 53.050 -0.093 0.000 0.856 421 N CB -0.264 38.102 38.487 -0.201 0.000 0.993 421 N HN 0.359 nan 8.380 nan 0.000 0.426 422 K N 0.773 121.169 120.400 -0.007 0.000 2.057 422 K HA 0.016 3.965 4.320 -0.617 0.000 0.206 422 K C 1.794 178.410 176.600 0.027 0.000 1.050 422 K CA 1.153 57.449 56.287 0.016 0.000 0.935 422 K CB -0.042 32.468 32.500 0.018 0.000 0.715 422 K HN 0.082 nan 8.250 nan 0.000 0.439 423 A N 1.130 123.962 122.820 0.020 0.000 2.015 423 A HA -0.085 3.865 4.320 -0.617 0.000 0.219 423 A C 1.470 179.094 177.584 0.065 0.000 1.163 423 A CA 1.327 53.384 52.037 0.032 0.000 0.646 423 A CB -0.200 18.811 19.000 0.018 0.000 0.806 423 A HN 0.392 nan 8.150 nan 0.000 0.448 424 N N -1.311 117.432 118.700 0.072 0.000 2.205 424 N HA 0.131 4.501 4.740 -0.617 0.000 0.201 424 N C 0.931 176.569 175.510 0.213 0.000 1.128 424 N CA 0.781 53.918 53.050 0.145 0.000 0.867 424 N CB 0.599 39.134 38.487 0.081 0.000 0.996 424 N HN 0.524 nan 8.380 nan 0.000 0.503 425 G N 2.234 111.112 108.800 0.129 0.000 2.273 425 G HA2 -0.283 3.307 3.960 -0.617 0.000 0.280 425 G HA3 -0.283 3.307 3.960 -0.617 0.000 0.280 425 G C 0.306 175.279 174.900 0.121 0.000 1.047 425 G CA 1.150 46.341 45.100 0.150 0.000 0.869 425 G HN 0.459 nan 8.290 nan 0.000 0.502 426 T N -2.015 112.515 114.554 -0.041 0.000 2.948 426 T HA 0.809 4.789 4.350 -0.617 0.000 0.285 426 T C 0.496 175.117 174.700 -0.132 0.000 1.019 426 T CA -0.470 61.531 62.100 -0.166 0.000 1.013 426 T CB 2.606 71.290 68.868 -0.306 0.000 1.117 426 T HN 1.264 nan 8.240 nan 0.000 0.533 427 I N -2.034 118.459 120.570 -0.129 0.000 2.957 427 I HA 0.670 4.470 4.170 -0.617 0.000 0.310 427 I C -0.930 175.088 176.117 -0.165 0.000 1.063 427 I CA -1.863 59.379 61.300 -0.097 0.000 1.033 427 I CB 1.246 39.288 38.000 0.069 0.000 1.230 427 I HN 0.545 nan 8.210 nan 0.000 0.447 428 Y N 1.838 122.117 120.300 -0.035 0.000 2.426 428 Y HA 0.300 4.478 4.550 -0.621 0.000 0.344 428 Y C 0.809 176.555 175.900 -0.257 0.000 1.256 428 Y CA -0.128 57.812 58.100 -0.266 0.000 1.451 428 Y CB 0.328 38.414 38.460 -0.623 0.000 1.342 428 Y HN 0.342 nan 8.280 nan 0.000 0.600 429 R N 1.189 121.627 120.500 -0.104 0.000 2.490 429 R HA 0.071 4.041 4.340 -0.617 0.000 0.280 429 R C -0.618 175.472 176.300 -0.350 0.000 1.077 429 R CA -0.092 55.943 56.100 -0.109 0.000 1.065 429 R CB 0.128 30.375 30.300 -0.089 0.000 1.003 429 R HN 0.816 nan 8.270 nan 0.000 0.470 430 Y N -0.249 120.042 120.300 -0.016 0.000 2.500 430 Y HA 0.054 4.234 4.550 -0.616 0.000 0.246 430 Y C 0.852 176.724 175.900 -0.046 0.000 1.146 430 Y CA -0.184 57.907 58.100 -0.015 0.000 1.230 430 Y CB 0.640 39.115 38.460 0.025 0.000 1.214 430 Y HN 0.549 nan 8.280 nan 0.000 0.526 431 D N -0.988 119.414 120.400 0.003 0.000 2.469 431 D HA 0.084 4.354 4.640 -0.617 0.000 0.215 431 D C 1.035 177.239 176.300 -0.161 0.000 1.154 431 D CA 0.203 54.179 54.000 -0.039 0.000 0.832 431 D CB -0.459 40.328 40.800 -0.021 0.000 1.008 431 D HN 0.313 nan 8.370 nan 0.000 0.506 432 L N -0.964 120.046 121.223 -0.356 0.000 2.509 432 L HA 0.258 4.228 4.340 -0.617 0.000 0.222 432 L C 1.013 177.577 176.870 -0.511 0.000 1.123 432 L CA 0.515 55.046 54.840 -0.514 0.000 0.856 432 L CB -0.240 41.333 42.059 -0.809 0.000 0.985 432 L HN -0.065 nan 8.230 nan 0.000 0.456 433 F N -0.308 119.619 119.950 -0.038 0.000 2.706 433 F HA 0.462 4.627 4.527 -0.603 0.000 0.313 433 F C 1.093 176.829 175.800 -0.106 0.000 1.096 433 F CA -0.161 57.803 58.000 -0.061 0.000 1.219 433 F CB 1.138 40.113 39.000 -0.043 0.000 1.051 433 F HN 0.042 nan 8.300 nan 0.000 0.568 434 G N 0.178 108.972 108.800 -0.009 0.000 2.359 434 G HA2 0.049 3.639 3.960 -0.617 0.000 0.314 434 G HA3 0.049 3.639 3.960 -0.617 0.000 0.314 434 G C 0.397 175.278 174.900 -0.031 0.000 1.364 434 G CA -0.223 44.829 45.100 -0.080 0.000 0.978 434 G HN 0.004 nan 8.290 nan 0.000 0.615 435 T N -2.670 111.860 114.554 -0.039 0.000 2.857 435 T HA 0.125 4.105 4.350 -0.617 0.000 0.266 435 T C 1.472 176.183 174.700 0.018 0.000 1.048 435 T CA 2.109 64.204 62.100 -0.010 0.000 1.139 435 T CB -0.521 68.341 68.868 -0.010 0.000 0.874 435 T HN 1.660 nan 8.240 nan 0.000 0.455 436 Q N 1.483 121.300 119.800 0.029 0.000 2.330 436 Q HA 0.408 4.378 4.340 -0.617 0.000 0.279 436 Q C 0.399 176.449 176.000 0.083 0.000 1.024 436 Q CA -0.501 55.331 55.803 0.049 0.000 0.900 436 Q CB -0.562 28.207 28.738 0.052 0.000 1.221 436 Q HN 0.654 nan 8.270 nan 0.000 0.396 437 L N 1.843 123.119 121.223 0.089 0.000 2.737 437 L HA 0.083 4.053 4.340 -0.617 0.000 0.275 437 L C 0.789 177.793 176.870 0.223 0.000 1.179 437 L CA 0.851 55.782 54.840 0.153 0.000 0.970 437 L CB -0.261 41.834 42.059 0.060 0.000 1.268 437 L HN 0.756 nan 8.230 nan 0.000 0.485 438 K N 2.738 123.311 120.400 0.287 0.000 2.690 438 K HA 0.381 4.331 4.320 -0.617 0.000 0.264 438 K C 0.064 176.788 176.600 0.207 0.000 1.040 438 K CA -0.282 56.163 56.287 0.263 0.000 0.946 438 K CB 1.413 34.050 32.500 0.230 0.000 1.268 438 K HN 0.517 nan 8.250 nan 0.000 0.473 439 A N 4.225 127.061 122.820 0.027 0.000 2.132 439 A HA 0.254 4.204 4.320 -0.617 0.000 0.213 439 A C -0.269 176.987 177.584 -0.547 0.000 1.154 439 A CA 0.531 52.286 52.037 -0.471 0.000 0.753 439 A CB 0.013 18.366 19.000 -1.077 0.000 0.826 439 A HN 0.446 nan 8.150 nan 0.000 0.469 440 F N -0.165 119.794 119.950 0.014 0.000 2.499 440 F HA 0.596 4.758 4.527 -0.608 0.000 0.333 440 F C 0.406 176.108 175.800 -0.164 0.000 1.138 440 F CA -1.022 56.949 58.000 -0.049 0.000 0.945 440 F CB 1.573 40.532 39.000 -0.068 0.000 1.181 440 F HN 0.081 nan 8.300 nan 0.000 0.435 441 A N 2.259 124.826 122.820 -0.422 0.000 2.404 441 A HA 0.422 4.372 4.320 -0.617 0.000 0.273 441 A C 0.238 177.838 177.584 0.028 0.000 1.144 441 A CA -0.280 51.437 52.037 -0.534 0.000 0.806 441 A CB -0.047 18.198 19.000 -1.258 0.000 1.080 441 A HN 0.742 nan 8.150 nan 0.000 0.509 442 D N 1.202 121.654 120.400 0.086 0.000 2.563 442 D HA 0.085 4.355 4.640 -0.617 0.000 0.237 442 D C -0.395 175.994 176.300 0.148 0.000 1.282 442 D CA 0.185 54.259 54.000 0.124 0.000 0.816 442 D CB 0.271 41.144 40.800 0.121 0.000 1.066 442 D HN 0.443 nan 8.370 nan 0.000 0.501 443 D N -0.058 120.447 120.400 0.176 0.000 2.760 443 D HA 0.155 4.425 4.640 -0.617 0.000 0.314 443 D C -0.161 176.273 176.300 0.222 0.000 1.464 443 D CA -0.665 53.448 54.000 0.188 0.000 0.797 443 D CB -0.874 40.035 40.800 0.182 0.000 1.149 443 D HN 0.228 nan 8.370 nan 0.000 0.455 444 F N 0.380 120.355 119.950 0.041 0.000 2.631 444 F HA 0.846 5.007 4.527 -0.609 0.000 0.328 444 F C -0.892 174.933 175.800 0.042 0.000 1.067 444 F CA -1.689 56.367 58.000 0.094 0.000 0.969 444 F CB 1.645 40.692 39.000 0.079 0.000 1.332 444 F HN 0.177 nan 8.300 nan 0.000 0.490 445 C N 0.782 120.011 119.300 -0.119 0.000 3.283 445 C HA 0.500 4.590 4.460 -0.617 0.000 0.359 445 C C -0.722 174.454 174.990 0.310 0.000 1.160 445 C CA -0.759 58.035 59.018 -0.373 0.000 1.232 445 C CB 0.336 27.894 27.740 -0.303 0.000 1.571 445 C HN 0.982 nan 8.230 nan 0.000 0.522 446 Y N -0.212 120.113 120.300 0.042 0.000 2.509 446 Y HA 0.278 4.456 4.550 -0.621 0.000 0.270 446 Y C 1.489 177.539 175.900 0.251 0.000 1.103 446 Y CA 0.621 58.807 58.100 0.145 0.000 1.278 446 Y CB -0.310 38.172 38.460 0.037 0.000 1.087 446 Y HN 0.804 nan 8.280 nan 0.000 0.542 447 H N 1.072 120.271 119.070 0.215 0.000 2.317 447 H HA 0.231 4.417 4.556 -0.617 0.000 0.231 447 H C -2.504 172.830 175.328 0.010 0.000 1.442 447 H CA -2.349 53.758 56.048 0.097 0.000 1.336 447 H CB 0.433 30.210 29.762 0.026 0.000 1.533 447 H HN -0.058 nan 8.280 nan 0.000 0.522 448 P HA 0.070 nan 4.420 nan 0.000 0.276 448 P C -0.433 176.901 177.300 0.056 0.000 1.235 448 P CA 0.090 63.313 63.100 0.205 0.000 0.772 448 P CB 1.597 33.647 31.700 0.584 0.000 0.871 449 L N 3.019 124.072 121.223 -0.284 0.000 2.438 449 L HA 0.746 4.716 4.340 -0.617 0.000 0.270 449 L C 0.633 177.388 176.870 -0.192 0.000 0.972 449 L CA -0.361 54.377 54.840 -0.170 0.000 0.831 449 L CB 2.028 43.978 42.059 -0.183 0.000 1.273 449 L HN 0.735 nan 8.230 nan 0.000 0.405 450 G N 1.282 110.115 108.800 0.055 0.000 2.483 450 G HA2 0.341 3.931 3.960 -0.617 0.000 0.521 450 G HA3 0.341 3.931 3.960 -0.617 0.000 0.521 450 G C 0.346 175.469 174.900 0.371 0.000 1.278 450 G CA -0.282 44.905 45.100 0.146 0.000 0.965 450 G HN 1.349 nan 8.290 nan 0.000 0.504 451 G N -2.884 106.122 108.800 0.343 0.000 2.339 451 G HA2 -0.005 3.585 3.960 -0.617 0.000 0.209 451 G HA3 -0.005 3.585 3.960 -0.617 0.000 0.209 451 G C 0.737 175.724 174.900 0.145 0.000 1.015 451 G CA 1.083 46.377 45.100 0.324 0.000 0.635 451 G HN 2.137 nan 8.290 nan 0.000 0.499 452 C N 2.206 121.563 119.300 0.095 0.000 3.359 452 C HA 0.632 4.722 4.460 -0.617 0.000 0.194 452 C C 0.798 175.812 174.990 0.040 0.000 1.659 452 C CA -0.814 58.233 59.018 0.049 0.000 1.338 452 C CB -0.206 27.544 27.740 0.016 0.000 2.109 452 C HN 0.458 nan 8.230 nan 0.000 0.518 453 V N 2.140 122.081 119.914 0.045 0.000 2.655 453 V HA 0.013 3.763 4.120 -0.617 0.000 0.300 453 V C 0.597 176.690 176.094 -0.001 0.000 1.044 453 V CA 0.018 62.330 62.300 0.019 0.000 1.095 453 V CB 0.728 32.563 31.823 0.021 0.000 0.952 453 V HN 0.573 nan 8.190 nan 0.000 0.485 454 L N 5.618 126.826 121.223 -0.025 0.000 2.660 454 L HA 0.396 4.366 4.340 -0.617 0.000 0.272 454 L C 1.232 178.073 176.870 -0.049 0.000 1.194 454 L CA 1.917 56.731 54.840 -0.044 0.000 0.945 454 L CB -0.142 41.869 42.059 -0.080 0.000 1.212 454 L HN 1.001 nan 8.230 nan 0.000 0.490 455 G N 2.563 111.343 108.800 -0.033 0.000 2.217 455 G HA2 -0.265 3.325 3.960 -0.617 0.000 0.246 455 G HA3 -0.265 3.325 3.960 -0.617 0.000 0.246 455 G C 1.180 176.074 174.900 -0.009 0.000 0.990 455 G CA 0.396 45.480 45.100 -0.027 0.000 0.627 455 G HN 0.545 nan 8.290 nan 0.000 0.522 456 K N -0.088 120.311 120.400 -0.001 0.000 2.290 456 K HA 0.582 4.532 4.320 -0.617 0.000 0.225 456 K C 2.710 179.322 176.600 0.021 0.000 1.060 456 K CA 1.078 57.372 56.287 0.011 0.000 0.903 456 K CB -0.977 31.533 32.500 0.016 0.000 1.158 456 K HN 0.590 nan 8.250 nan 0.000 0.460 457 A N 1.473 124.308 122.820 0.025 0.000 2.067 457 A HA -0.003 3.947 4.320 -0.617 0.000 0.217 457 A C 1.148 178.749 177.584 0.028 0.000 1.156 457 A CA 1.480 53.535 52.037 0.030 0.000 0.683 457 A CB -0.369 18.651 19.000 0.032 0.000 0.808 457 A HN 0.521 nan 8.150 nan 0.000 0.455 458 T N -2.641 111.928 114.554 0.025 0.000 2.864 458 T HA 0.508 4.488 4.350 -0.617 0.000 0.289 458 T C -0.485 174.234 174.700 0.033 0.000 1.082 458 T CA -0.248 61.872 62.100 0.032 0.000 1.009 458 T CB 1.527 70.416 68.868 0.035 0.000 1.234 458 T HN 0.222 nan 8.240 nan 0.000 0.526 459 D N -0.093 120.341 120.400 0.057 0.000 2.398 459 D HA 0.158 4.428 4.640 -0.617 0.000 0.264 459 D C 0.303 176.617 176.300 0.023 0.000 1.263 459 D CA -0.433 53.605 54.000 0.063 0.000 1.037 459 D CB -0.104 40.768 40.800 0.119 0.000 1.101 459 D HN 0.484 nan 8.370 nan 0.000 0.551 460 D N -1.723 118.666 120.400 -0.018 0.000 2.363 460 D HA -0.055 4.215 4.640 -0.617 0.000 0.226 460 D C 0.076 176.056 176.300 -0.533 0.000 1.020 460 D CA 0.597 54.448 54.000 -0.248 0.000 0.892 460 D CB -0.166 40.448 40.800 -0.310 0.000 0.900 460 D HN 0.395 nan 8.370 nan 0.000 0.531 461 Y N -0.952 119.358 120.300 0.017 0.000 2.682 461 Y HA 0.335 4.515 4.550 -0.617 0.000 0.251 461 Y C 1.668 177.588 175.900 0.033 0.000 1.172 461 Y CA -0.275 57.828 58.100 0.005 0.000 1.186 461 Y CB 1.020 39.480 38.460 0.001 0.000 1.216 461 Y HN -0.026 nan 8.280 nan 0.000 0.540 462 G N 1.008 109.880 108.800 0.120 0.000 2.159 462 G HA2 -0.286 3.304 3.960 -0.617 0.000 0.256 462 G HA3 -0.286 3.304 3.960 -0.617 0.000 0.256 462 G C 0.198 175.202 174.900 0.174 0.000 0.977 462 G CA -0.502 44.669 45.100 0.118 0.000 0.652 462 G HN 0.304 nan 8.290 nan 0.000 0.531 463 R N 0.288 120.915 120.500 0.212 0.000 2.370 463 R HA 0.369 4.338 4.340 -0.617 0.000 0.309 463 R C 0.596 176.927 176.300 0.051 0.000 1.059 463 R CA -0.384 55.814 56.100 0.163 0.000 0.981 463 R CB 1.177 31.590 30.300 0.187 0.000 0.972 463 R HN 0.107 nan 8.270 nan 0.000 0.437 464 V N 3.427 123.326 119.914 -0.026 0.000 2.529 464 V HA 0.017 3.767 4.120 -0.617 0.000 0.292 464 V C 0.937 177.064 176.094 0.055 0.000 1.028 464 V CA -0.126 62.175 62.300 0.003 0.000 1.074 464 V CB 0.797 32.592 31.823 -0.048 0.000 0.958 464 V HN 0.869 nan 8.190 nan 0.000 0.481 465 A N 4.475 127.329 122.820 0.057 0.000 2.511 465 A HA 0.525 4.475 4.320 -0.617 0.000 0.242 465 A C 1.510 179.126 177.584 0.055 0.000 1.069 465 A CA 0.538 52.601 52.037 0.044 0.000 0.763 465 A CB -0.222 18.796 19.000 0.031 0.000 1.001 465 A HN 2.108 nan 8.150 nan 0.000 0.498 466 G N 0.294 109.066 108.800 -0.047 0.000 2.194 466 G HA2 -0.217 3.373 3.960 -0.617 0.000 0.236 466 G HA3 -0.217 3.373 3.960 -0.617 0.000 0.236 466 G C -0.099 174.450 174.900 -0.584 0.000 0.987 466 G CA 0.619 45.568 45.100 -0.252 0.000 0.635 466 G HN 0.986 nan 8.290 nan 0.000 0.520 467 Y N -0.524 119.767 120.300 -0.014 0.000 2.553 467 Y HA 0.718 4.898 4.550 -0.617 0.000 0.347 467 Y C 0.072 175.956 175.900 -0.026 0.000 1.019 467 Y CA -1.198 56.905 58.100 0.004 0.000 1.032 467 Y CB 1.720 40.192 38.460 0.020 0.000 1.284 467 Y HN -0.024 nan 8.280 nan 0.000 0.466 468 K N 1.159 121.659 120.400 0.167 0.000 2.156 468 K HA 0.348 4.298 4.320 -0.617 0.000 0.271 468 K C -0.147 176.497 176.600 0.074 0.000 0.995 468 K CA -0.354 55.985 56.287 0.087 0.000 0.890 468 K CB 0.289 32.833 32.500 0.073 0.000 1.073 468 K HN 0.690 nan 8.250 nan 0.000 0.454 469 N N 0.256 118.896 118.700 -0.100 0.000 2.741 469 N HA -0.261 4.109 4.740 -0.617 0.000 0.250 469 N C -1.184 173.927 175.510 -0.665 0.000 1.115 469 N CA 0.199 53.145 53.050 -0.174 0.000 0.724 469 N CB -0.847 37.755 38.487 0.193 0.000 1.090 469 N HN 0.172 nan 8.380 nan 0.000 0.558 470 L N 1.078 121.673 121.223 -1.047 0.000 2.376 470 L HA 0.547 4.517 4.340 -0.617 0.000 0.275 470 L C -1.315 174.955 176.870 -1.001 0.000 0.987 470 L CA -0.816 53.436 54.840 -0.980 0.000 0.828 470 L CB 0.868 42.509 42.059 -0.696 0.000 1.249 470 L HN 0.052 nan 8.230 nan 0.000 0.409 471 Y N 3.462 123.532 120.300 -0.383 0.000 2.512 471 Y HA 0.736 4.916 4.550 -0.617 0.000 0.348 471 Y C -0.453 175.354 175.900 -0.156 0.000 0.990 471 Y CA -1.180 56.748 58.100 -0.286 0.000 1.033 471 Y CB 2.286 40.444 38.460 -0.503 0.000 1.259 471 Y HN 0.240 nan 8.280 nan 0.000 0.461 472 V N 1.255 121.221 119.914 0.087 0.000 2.555 472 V HA 0.381 4.131 4.120 -0.617 0.000 0.302 472 V C 0.316 176.471 176.094 0.101 0.000 1.038 472 V CA -0.274 62.065 62.300 0.065 0.000 0.887 472 V CB 1.801 33.635 31.823 0.019 0.000 0.991 472 V HN 1.012 nan 8.190 nan 0.000 0.434 473 T N -1.720 112.889 114.554 0.093 0.000 3.058 473 T HA 0.224 4.204 4.350 -0.617 0.000 0.278 473 T C 0.084 174.808 174.700 0.040 0.000 0.974 473 T CA 0.209 62.359 62.100 0.083 0.000 0.893 473 T CB 0.104 69.037 68.868 0.109 0.000 1.138 473 T HN 0.712 nan 8.240 nan 0.000 0.529 474 D N 0.296 120.720 120.400 0.040 0.000 2.723 474 D HA 0.483 4.753 4.640 -0.617 0.000 0.247 474 D C 1.728 178.054 176.300 0.042 0.000 1.134 474 D CA -0.156 53.870 54.000 0.044 0.000 1.099 474 D CB 0.058 40.888 40.800 0.050 0.000 1.287 474 D HN -0.035 nan 8.370 nan 0.000 0.634 475 G N -0.828 108.008 108.800 0.060 0.000 2.501 475 G HA2 -0.201 3.389 3.960 -0.617 0.000 0.220 475 G HA3 -0.201 3.389 3.960 -0.617 0.000 0.220 475 G C 1.196 176.135 174.900 0.064 0.000 1.114 475 G CA 0.994 46.129 45.100 0.057 0.000 0.757 475 G HN 0.372 nan 8.290 nan 0.000 0.559 476 S N 0.400 116.142 115.700 0.070 0.000 2.400 476 S HA -0.053 4.047 4.470 -0.617 0.000 0.232 476 S C 2.150 176.783 174.600 0.055 0.000 1.025 476 S CA 0.710 58.956 58.200 0.077 0.000 0.993 476 S CB -0.161 63.062 63.200 0.040 0.000 0.808 476 S HN 0.388 nan 8.310 nan 0.000 0.478 477 L N 0.835 122.075 121.223 0.029 0.000 2.217 477 L HA 0.046 4.016 4.340 -0.617 0.000 0.211 477 L C 0.326 177.187 176.870 -0.016 0.000 1.107 477 L CA 0.331 55.175 54.840 0.006 0.000 0.783 477 L CB -0.301 41.755 42.059 -0.005 0.000 0.919 477 L HN 0.247 nan 8.230 nan 0.000 0.442 478 I N 1.818 122.377 120.570 -0.018 0.000 2.496 478 I HA 0.107 3.907 4.170 -0.617 0.000 0.285 478 I C -1.855 174.229 176.117 -0.056 0.000 1.080 478 I CA -2.360 58.909 61.300 -0.052 0.000 1.404 478 I CB 0.470 38.442 38.000 -0.046 0.000 1.403 478 I HN -0.128 nan 8.210 nan 0.000 0.539 479 P HA 0.153 nan 4.420 nan 0.000 0.220 479 P C 0.874 178.134 177.300 -0.067 0.000 1.806 479 P CA 0.199 63.262 63.100 -0.062 0.000 0.976 479 P CB 0.226 31.876 31.700 -0.082 0.000 1.952 480 G N 0.236 108.974 108.800 -0.103 0.000 2.245 480 G HA2 -0.247 3.343 3.960 -0.617 0.000 0.264 480 G HA3 -0.247 3.343 3.960 -0.617 0.000 0.264 480 G C 0.138 174.957 174.900 -0.135 0.000 0.985 480 G CA 0.375 45.369 45.100 -0.176 0.000 0.625 480 G HN 0.811 nan 8.290 nan 0.000 0.536 481 S N -1.749 113.925 115.700 -0.043 0.000 2.548 481 S HA 0.565 4.665 4.470 -0.617 0.000 0.278 481 S C 0.365 175.023 174.600 0.098 0.000 1.150 481 S CA 0.601 58.838 58.200 0.062 0.000 0.907 481 S CB 1.654 64.985 63.200 0.219 0.000 1.108 481 S HN 1.675 nan 8.310 nan 0.000 0.459 482 V N 1.375 121.333 119.914 0.073 0.000 3.451 482 V HA 0.650 4.400 4.120 -0.617 0.000 0.288 482 V C 1.385 177.424 176.094 -0.092 0.000 1.502 482 V CA 0.693 63.036 62.300 0.072 0.000 1.026 482 V CB -0.108 31.704 31.823 -0.019 0.000 0.840 482 V HN 2.010 nan 8.190 nan 0.000 0.437 483 G N 0.933 109.484 108.800 -0.415 0.000 2.179 483 G HA2 -0.152 3.438 3.960 -0.617 0.000 0.260 483 G HA3 -0.152 3.438 3.960 -0.617 0.000 0.260 483 G C 0.278 174.567 174.900 -1.019 0.000 0.977 483 G CA 0.865 45.130 45.100 -1.393 0.000 0.641 483 G HN 1.952 nan 8.290 nan 0.000 0.533 484 V N -4.435 115.094 119.914 -0.642 0.000 3.226 484 V HA 0.700 4.450 4.120 -0.617 0.000 0.304 484 V C -0.419 175.366 176.094 -0.515 0.000 1.336 484 V CA -1.305 60.551 62.300 -0.741 0.000 1.066 484 V CB 1.531 32.910 31.823 -0.740 0.000 1.087 484 V HN 0.071 nan 8.190 nan 0.000 0.451 485 D N 3.313 123.385 120.400 -0.546 0.000 2.493 485 D HA 0.160 4.430 4.640 -0.617 0.000 0.240 485 D C -1.685 174.278 176.300 -0.562 0.000 1.142 485 D CA -0.174 53.496 54.000 -0.550 0.000 0.872 485 D CB 1.841 42.383 40.800 -0.429 0.000 1.173 485 D HN 0.610 nan 8.370 nan 0.000 0.467 486 P HA -0.067 nan 4.420 nan 0.000 0.239 486 P C 1.518 178.649 177.300 -0.281 0.000 1.188 486 P CA 0.291 63.186 63.100 -0.343 0.000 0.794 486 P CB -0.002 31.542 31.700 -0.260 0.000 0.937 487 F N -0.180 119.535 119.950 -0.393 0.000 2.216 487 F HA -0.067 4.089 4.527 -0.618 0.000 0.300 487 F C 1.743 177.294 175.800 -0.415 0.000 1.085 487 F CA 0.548 58.176 58.000 -0.619 0.000 1.326 487 F CB -2.037 36.224 39.000 -1.233 0.000 1.027 487 F HN -0.327 nan 8.300 nan 0.000 0.497 488 V N 0.869 120.640 119.914 -0.238 0.000 2.407 488 V HA -0.269 3.481 4.120 -0.617 0.000 0.248 488 V C 2.443 178.614 176.094 0.128 0.000 1.055 488 V CA 2.446 64.756 62.300 0.017 0.000 1.049 488 V CB -1.152 30.633 31.823 -0.062 0.000 0.662 488 V HN 0.527 nan 8.190 nan 0.000 0.455 489 T N 0.284 114.903 114.554 0.108 0.000 2.746 489 T HA -0.105 3.875 4.350 -0.617 0.000 0.267 489 T C 1.822 176.535 174.700 0.022 0.000 1.039 489 T CA 1.686 63.895 62.100 0.183 0.000 1.142 489 T CB -0.260 68.718 68.868 0.183 0.000 0.866 489 T HN 0.350 nan 8.240 nan 0.000 0.444 490 I N 1.262 121.824 120.570 -0.012 0.000 2.163 490 I HA -0.212 3.588 4.170 -0.617 0.000 0.243 490 I C 2.716 178.816 176.117 -0.029 0.000 1.085 490 I CA 1.222 62.511 61.300 -0.019 0.000 1.347 490 I CB -0.777 37.216 38.000 -0.013 0.000 1.044 490 I HN 0.254 nan 8.210 nan 0.000 0.408 491 T N 0.704 115.253 114.554 -0.008 0.000 2.708 491 T HA -0.149 3.831 4.350 -0.617 0.000 0.266 491 T C 2.064 176.719 174.700 -0.075 0.000 1.037 491 T CA 1.515 63.608 62.100 -0.012 0.000 1.146 491 T CB -0.348 68.585 68.868 0.108 0.000 0.865 491 T HN 0.484 nan 8.240 nan 0.000 0.435 492 A N 1.144 123.887 122.820 -0.129 0.000 1.898 492 A HA 0.028 3.978 4.320 -0.617 0.000 0.216 492 A C 2.236 179.616 177.584 -0.341 0.000 1.181 492 A CA 1.141 52.997 52.037 -0.302 0.000 0.620 492 A CB -0.769 17.741 19.000 -0.818 0.000 0.819 492 A HN 0.391 nan 8.150 nan 0.000 0.442 493 L N -0.221 120.836 121.223 -0.277 0.000 2.083 493 L HA -0.031 3.939 4.340 -0.617 0.000 0.209 493 L C 2.622 179.373 176.870 -0.198 0.000 1.083 493 L CA 2.083 56.793 54.840 -0.216 0.000 0.752 493 L CB -0.742 41.259 42.059 -0.097 0.000 0.899 493 L HN 0.333 nan 8.230 nan 0.000 0.433 494 A N -1.045 121.687 122.820 -0.147 0.000 1.930 494 A HA -0.153 3.797 4.320 -0.617 0.000 0.217 494 A C 2.145 179.633 177.584 -0.161 0.000 1.175 494 A CA 1.457 53.419 52.037 -0.125 0.000 0.627 494 A CB -0.491 18.443 19.000 -0.109 0.000 0.815 494 A HN 0.517 nan 8.150 nan 0.000 0.443 495 E N -0.276 119.818 120.200 -0.177 0.000 2.051 495 E HA -0.225 3.755 4.350 -0.617 0.000 0.192 495 E C 2.218 178.597 176.600 -0.369 0.000 0.991 495 E CA 1.367 57.682 56.400 -0.142 0.000 0.799 495 E CB -0.373 29.340 29.700 0.021 0.000 0.748 495 E HN 0.707 nan 8.360 nan 0.000 0.449 496 R N 0.835 120.859 120.500 -0.792 0.000 2.083 496 R HA -0.151 3.819 4.340 -0.617 0.000 0.237 496 R C 1.908 178.003 176.300 -0.341 0.000 1.137 496 R CA 1.715 57.141 56.100 -1.124 0.000 0.951 496 R CB -0.046 29.671 30.300 -0.973 0.000 0.851 496 R HN 0.074 nan 8.270 nan 0.000 0.434 497 N N 0.291 118.890 118.700 -0.168 0.000 2.080 497 N HA -0.153 4.217 4.740 -0.617 0.000 0.189 497 N C 1.709 177.198 175.510 -0.036 0.000 1.036 497 N CA 1.333 54.401 53.050 0.030 0.000 0.846 497 N CB -0.642 37.865 38.487 0.034 0.000 1.015 497 N HN 0.104 nan 8.380 nan 0.000 0.423 498 V N 1.534 121.397 119.914 -0.086 0.000 2.515 498 V HA -0.171 3.579 4.120 -0.617 0.000 0.250 498 V C 2.245 178.271 176.094 -0.114 0.000 1.058 498 V CA 1.699 63.936 62.300 -0.106 0.000 1.064 498 V CB -0.267 31.467 31.823 -0.148 0.000 0.675 498 V HN 0.317 nan 8.190 nan 0.000 0.461 499 E N -0.131 120.013 120.200 -0.094 0.000 2.051 499 E HA -0.292 3.688 4.350 -0.617 0.000 0.192 499 E C 2.358 178.906 176.600 -0.086 0.000 0.991 499 E CA 1.388 57.755 56.400 -0.056 0.000 0.799 499 E CB -0.159 29.559 29.700 0.030 0.000 0.748 499 E HN 0.442 nan 8.360 nan 0.000 0.449 500 R N 0.836 121.258 120.500 -0.129 0.000 2.075 500 R HA -0.037 3.933 4.340 -0.617 0.000 0.232 500 R C 2.109 178.272 176.300 -0.229 0.000 1.126 500 R CA 1.328 57.283 56.100 -0.241 0.000 0.963 500 R CB -0.636 29.328 30.300 -0.559 0.000 0.858 500 R HN 0.299 nan 8.270 nan 0.000 0.435 501 I N -0.122 120.326 120.570 -0.203 0.000 2.179 501 I HA -0.261 3.539 4.170 -0.617 0.000 0.242 501 I C 2.096 178.109 176.117 -0.174 0.000 1.088 501 I CA 1.323 62.496 61.300 -0.210 0.000 1.357 501 I CB -0.208 37.574 38.000 -0.364 0.000 1.051 501 I HN 0.126 nan 8.210 nan 0.000 0.409 502 I N 0.494 120.968 120.570 -0.159 0.000 2.226 502 I HA -0.304 3.496 4.170 -0.617 0.000 0.245 502 I C 2.497 178.553 176.117 -0.101 0.000 1.100 502 I CA 1.509 62.723 61.300 -0.142 0.000 1.374 502 I CB -0.350 37.572 38.000 -0.129 0.000 1.057 502 I HN 0.144 nan 8.210 nan 0.000 0.413 503 K N -0.045 120.302 120.400 -0.088 0.000 2.057 503 K HA -0.240 3.710 4.320 -0.617 0.000 0.207 503 K C 2.186 178.754 176.600 -0.053 0.000 1.049 503 K CA 1.402 57.651 56.287 -0.063 0.000 0.931 503 K CB -0.066 32.397 32.500 -0.061 0.000 0.714 503 K HN 0.133 nan 8.250 nan 0.000 0.440 504 Q N 0.567 120.325 119.800 -0.070 0.000 2.259 504 Q HA -0.058 3.912 4.340 -0.617 0.000 0.201 504 Q C 0.713 176.716 176.000 0.005 0.000 0.938 504 Q CA 1.548 57.327 55.803 -0.041 0.000 0.872 504 Q CB 0.493 29.188 28.738 -0.071 0.000 0.971 504 Q HN 0.169 nan 8.270 nan 0.000 0.494 505 D N -1.407 119.000 120.400 0.011 0.000 2.422 505 D HA 0.136 4.406 4.640 -0.617 0.000 0.218 505 D C 0.035 176.399 176.300 0.107 0.000 1.047 505 D CA 0.174 54.232 54.000 0.097 0.000 0.885 505 D CB 0.802 41.709 40.800 0.178 0.000 1.035 505 D HN 0.033 nan 8.370 nan 0.000 0.502 506 V N 0.000 119.892 119.914 -0.037 0.000 2.409 506 V HA 0.000 3.750 4.120 -0.617 0.000 0.244 506 V CA 0.000 62.219 62.300 -0.136 0.000 1.235 506 V CB 0.000 31.597 31.823 -0.376 0.000 1.184 506 V HN 0.000 nan 8.190 nan 0.000 0.556