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 3gyj_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 PGSVGVLPFV 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 3.602 3.960 -0.597 0.000 0.244 9 G C 0.000 174.966 174.900 0.110 0.000 0.946 9 G CA 0.000 45.149 45.100 0.082 0.000 0.502 10 Y N 0.559 120.868 120.300 0.015 0.000 2.326 10 Y HA 0.666 4.858 4.550 -0.597 0.000 0.337 10 Y C -0.395 175.520 175.900 0.025 0.000 1.023 10 Y CA -0.646 57.464 58.100 0.018 0.000 1.143 10 Y CB 1.541 40.007 38.460 0.009 0.000 1.183 10 Y HN 0.385 nan 8.280 nan 0.000 0.485 11 V N 8.918 128.369 119.914 -0.772 0.000 2.709 11 V HA 0.305 4.067 4.120 -0.597 0.000 0.308 11 V C -2.028 173.549 176.094 -0.863 0.000 1.062 11 V CA -1.938 59.969 62.300 -0.653 0.000 0.901 11 V CB 1.923 33.593 31.823 -0.255 0.000 1.003 11 V HN 0.625 nan 8.190 nan 0.000 0.425 12 P HA -0.089 nan 4.420 nan 0.000 0.214 12 P C 0.158 177.501 177.300 0.073 0.000 1.163 12 P CA 1.698 64.709 63.100 -0.149 0.000 0.889 12 P CB 0.297 32.043 31.700 0.077 0.000 0.790 13 A N -1.216 121.664 122.820 0.100 0.000 2.355 13 A HA 0.568 4.530 4.320 -0.597 0.000 0.317 13 A C -1.028 176.626 177.584 0.117 0.000 1.094 13 A CA -0.477 51.702 52.037 0.236 0.000 0.764 13 A CB 1.442 20.606 19.000 0.274 0.000 1.230 13 A HN -0.130 nan 8.150 nan 0.000 0.448 14 V N 2.251 122.271 119.914 0.177 0.000 2.555 14 V HA 0.517 4.279 4.120 -0.597 0.000 0.302 14 V C -0.519 175.681 176.094 0.177 0.000 1.038 14 V CA -0.508 61.859 62.300 0.111 0.000 0.887 14 V CB 1.792 33.657 31.823 0.069 0.000 0.991 14 V HN 0.669 nan 8.190 nan 0.000 0.434 15 V N 5.907 125.873 119.914 0.088 0.000 2.409 15 V HA 0.490 4.252 4.120 -0.597 0.000 0.291 15 V C -0.144 175.977 176.094 0.045 0.000 1.020 15 V CA -0.451 61.900 62.300 0.084 0.000 0.848 15 V CB 1.703 33.517 31.823 -0.015 0.000 0.990 15 V HN 0.665 nan 8.190 nan 0.000 0.430 16 I N 4.880 125.483 120.570 0.055 0.000 2.325 16 I HA 0.684 4.496 4.170 -0.597 0.000 0.291 16 I C 0.933 177.057 176.117 0.012 0.000 1.019 16 I CA 0.302 61.617 61.300 0.025 0.000 1.302 16 I CB 0.845 38.855 38.000 0.016 0.000 1.401 16 I HN 0.904 nan 8.210 nan 0.000 0.485 17 G N 4.340 113.140 108.800 0.000 0.000 2.707 17 G HA2 -0.124 3.478 3.960 -0.597 0.000 0.686 17 G HA3 -0.124 3.478 3.960 -0.597 0.000 0.686 17 G C -0.042 174.842 174.900 -0.027 0.000 1.315 17 G CA -0.234 44.858 45.100 -0.013 0.000 0.832 17 G HN 0.870 nan 8.290 nan 0.000 0.573 18 T N -2.050 112.479 114.554 -0.042 0.000 3.604 18 T HA 0.646 4.638 4.350 -0.597 0.000 0.305 18 T C 1.104 175.732 174.700 -0.119 0.000 0.978 18 T CA 0.929 62.988 62.100 -0.069 0.000 0.999 18 T CB 0.270 69.109 68.868 -0.048 0.000 1.204 18 T HN 1.982 nan 8.240 nan 0.000 0.476 19 G N 0.482 109.214 108.800 -0.114 0.000 2.504 19 G HA2 0.450 4.052 3.960 -0.597 0.000 0.257 19 G HA3 0.450 4.052 3.960 -0.597 0.000 0.257 19 G C 0.286 175.035 174.900 -0.253 0.000 1.451 19 G CA -0.722 44.267 45.100 -0.186 0.000 1.059 19 G HN 0.231 nan 8.290 nan 0.000 0.550 20 Y N 0.515 120.747 120.300 -0.115 0.000 2.114 20 Y HA -0.044 4.147 4.550 -0.598 0.000 0.284 20 Y C 3.054 178.837 175.900 -0.195 0.000 1.143 20 Y CA 1.740 59.734 58.100 -0.177 0.000 1.135 20 Y CB -0.619 37.773 38.460 -0.112 0.000 0.980 20 Y HN 0.448 nan 8.280 nan 0.000 0.499 21 G N -0.489 108.333 108.800 0.036 0.000 2.418 21 G HA2 -0.246 3.356 3.960 -0.597 0.000 0.217 21 G HA3 -0.246 3.356 3.960 -0.597 0.000 0.217 21 G C 1.893 176.750 174.900 -0.072 0.000 1.158 21 G CA 1.056 46.143 45.100 -0.021 0.000 0.771 21 G HN 0.482 nan 8.290 nan 0.000 0.545 22 A N 1.172 123.952 122.820 -0.066 0.000 1.877 22 A HA 0.274 4.236 4.320 -0.597 0.000 0.216 22 A C 2.828 180.328 177.584 -0.140 0.000 1.186 22 A CA 2.310 54.297 52.037 -0.083 0.000 0.620 22 A CB -0.829 18.135 19.000 -0.060 0.000 0.822 22 A HN 0.787 nan 8.150 nan 0.000 0.443 23 A N -0.587 122.126 122.820 -0.179 0.000 1.902 23 A HA 0.017 3.979 4.320 -0.597 0.000 0.217 23 A C 2.239 179.703 177.584 -0.199 0.000 1.181 23 A CA 1.763 53.691 52.037 -0.182 0.000 0.623 23 A CB -0.953 17.913 19.000 -0.224 0.000 0.818 23 A HN 0.381 nan 8.150 nan 0.000 0.443 24 V N 1.015 120.708 119.914 -0.367 0.000 2.295 24 V HA -0.269 3.493 4.120 -0.597 0.000 0.246 24 V C 3.065 179.063 176.094 -0.160 0.000 1.049 24 V CA 2.518 64.630 62.300 -0.312 0.000 1.024 24 V CB -1.039 30.573 31.823 -0.352 0.000 0.648 24 V HN 0.826 nan 8.190 nan 0.000 0.447 25 S N 1.105 116.678 115.700 -0.211 0.000 2.368 25 S HA -0.147 3.965 4.470 -0.597 0.000 0.225 25 S C 2.113 176.509 174.600 -0.340 0.000 1.030 25 S CA 1.379 59.389 58.200 -0.317 0.000 0.999 25 S CB -0.606 62.340 63.200 -0.424 0.000 0.844 25 S HN 0.575 nan 8.310 nan 0.000 0.459 26 A N 1.924 124.592 122.820 -0.254 0.000 1.902 26 A HA 0.078 4.040 4.320 -0.597 0.000 0.217 26 A C 2.242 179.748 177.584 -0.129 0.000 1.181 26 A CA 1.558 53.474 52.037 -0.201 0.000 0.623 26 A CB -0.932 17.985 19.000 -0.137 0.000 0.818 26 A HN 0.549 nan 8.150 nan 0.000 0.443 27 L N -0.318 120.868 121.223 -0.062 0.000 2.012 27 L HA -0.162 3.819 4.340 -0.597 0.000 0.210 27 L C 2.356 179.198 176.870 -0.045 0.000 1.073 27 L CA 1.994 56.828 54.840 -0.011 0.000 0.748 27 L CB -0.511 41.612 42.059 0.106 0.000 0.891 27 L HN 0.238 nan 8.230 nan 0.000 0.431 28 R N -0.367 120.093 120.500 -0.067 0.000 2.090 28 R HA -0.014 3.968 4.340 -0.597 0.000 0.228 28 R C 2.326 178.554 176.300 -0.120 0.000 1.110 28 R CA 1.365 57.418 56.100 -0.079 0.000 0.973 28 R CB -1.105 29.147 30.300 -0.080 0.000 0.869 28 R HN 0.425 nan 8.270 nan 0.000 0.440 29 L N -0.194 120.918 121.223 -0.185 0.000 2.017 29 L HA -0.112 3.870 4.340 -0.597 0.000 0.208 29 L C 2.506 179.309 176.870 -0.112 0.000 1.073 29 L CA 1.721 56.449 54.840 -0.187 0.000 0.745 29 L CB -0.937 40.957 42.059 -0.275 0.000 0.894 29 L HN 0.294 nan 8.230 nan 0.000 0.432 30 G N -0.751 107.991 108.800 -0.097 0.000 2.422 30 G HA2 -0.223 3.378 3.960 -0.597 0.000 0.218 30 G HA3 -0.223 3.378 3.960 -0.597 0.000 0.218 30 G C 1.417 176.288 174.900 -0.049 0.000 1.146 30 G CA 0.500 45.562 45.100 -0.063 0.000 0.769 30 G HN 0.411 nan 8.290 nan 0.000 0.547 31 E N 0.420 120.590 120.200 -0.050 0.000 2.204 31 E HA 0.008 4.000 4.350 -0.597 0.000 0.195 31 E C 2.640 179.219 176.600 -0.036 0.000 0.990 31 E CA 0.620 56.997 56.400 -0.039 0.000 0.821 31 E CB -0.089 29.590 29.700 -0.035 0.000 0.750 31 E HN 0.434 nan 8.360 nan 0.000 0.477 32 A N 0.166 122.958 122.820 -0.047 0.000 2.238 32 A HA 0.225 4.186 4.320 -0.597 0.000 0.208 32 A C 1.675 179.241 177.584 -0.029 0.000 1.177 32 A CA 0.813 52.824 52.037 -0.043 0.000 0.804 32 A CB -0.225 18.737 19.000 -0.063 0.000 0.823 32 A HN 0.325 nan 8.150 nan 0.000 0.482 33 G N -1.693 107.091 108.800 -0.026 0.000 2.132 33 G HA2 -0.177 3.425 3.960 -0.597 0.000 0.234 33 G HA3 -0.177 3.425 3.960 -0.597 0.000 0.234 33 G C 0.039 174.939 174.900 -0.000 0.000 0.989 33 G CA 0.073 45.166 45.100 -0.011 0.000 0.676 33 G HN 0.812 nan 8.290 nan 0.000 0.522 34 V N 1.159 121.066 119.914 -0.012 0.000 2.364 34 V HA 0.479 4.241 4.120 -0.597 0.000 0.272 34 V C 0.753 176.847 176.094 -0.000 0.000 1.036 34 V CA -0.554 61.753 62.300 0.012 0.000 0.880 34 V CB 1.544 33.367 31.823 -0.001 0.000 0.991 34 V HN 0.451 nan 8.190 nan 0.000 0.460 35 Q N 3.569 123.377 119.800 0.013 0.000 2.255 35 Q HA 0.248 4.229 4.340 -0.597 0.000 0.280 35 Q C -0.060 175.927 176.000 -0.022 0.000 1.068 35 Q CA 0.847 56.645 55.803 -0.010 0.000 0.911 35 Q CB 0.719 29.452 28.738 -0.008 0.000 1.157 35 Q HN 0.903 nan 8.270 nan 0.000 0.380 36 T N 3.985 118.515 114.554 -0.039 0.000 2.912 36 T HA 0.577 4.569 4.350 -0.597 0.000 0.299 36 T C -1.936 172.732 174.700 -0.053 0.000 1.052 36 T CA -0.855 61.219 62.100 -0.043 0.000 0.996 36 T CB 0.724 69.553 68.868 -0.066 0.000 1.070 36 T HN 0.522 nan 8.240 nan 0.000 0.465 37 L N 5.726 126.919 121.223 -0.050 0.000 2.313 37 L HA 0.703 4.685 4.340 -0.597 0.000 0.283 37 L C -0.735 176.107 176.870 -0.047 0.000 1.013 37 L CA -0.445 54.361 54.840 -0.058 0.000 0.816 37 L CB 1.179 43.198 42.059 -0.067 0.000 1.236 37 L HN 0.748 nan 8.230 nan 0.000 0.419 38 M N 6.409 125.974 119.600 -0.057 0.000 2.209 38 M HA 0.432 4.553 4.480 -0.597 0.000 0.355 38 M C -1.033 175.234 176.300 -0.055 0.000 1.171 38 M CA -0.340 54.931 55.300 -0.047 0.000 1.069 38 M CB 1.341 33.910 32.600 -0.051 0.000 1.622 38 M HN 0.440 nan 8.290 nan 0.000 0.459 39 L N 2.759 123.964 121.223 -0.029 0.000 2.298 39 L HA 0.473 4.454 4.340 -0.597 0.000 0.284 39 L C -0.395 176.486 176.870 0.017 0.000 1.013 39 L CA -0.521 54.310 54.840 -0.014 0.000 0.824 39 L CB 1.275 43.345 42.059 0.018 0.000 1.221 39 L HN 0.596 nan 8.230 nan 0.000 0.418 40 E N 3.550 123.770 120.200 0.032 0.000 2.199 40 E HA 0.290 4.282 4.350 -0.597 0.000 0.265 40 E C 0.452 177.106 176.600 0.090 0.000 0.882 40 E CA -0.678 55.747 56.400 0.042 0.000 0.759 40 E CB 1.646 31.363 29.700 0.030 0.000 1.148 40 E HN 0.600 nan 8.360 nan 0.000 0.412 41 M N 2.074 121.717 119.600 0.072 0.000 2.319 41 M HA 0.277 4.399 4.480 -0.597 0.000 0.265 41 M C 0.916 177.352 176.300 0.227 0.000 1.068 41 M CA 1.008 56.386 55.300 0.130 0.000 1.118 41 M CB 0.019 32.667 32.600 0.081 0.000 1.395 41 M HN 0.336 nan 8.290 nan 0.000 0.435 42 G N 0.754 109.640 108.800 0.143 0.000 2.531 42 G HA2 0.413 4.015 3.960 -0.597 0.000 0.281 42 G HA3 0.413 4.015 3.960 -0.597 0.000 0.281 42 G C -0.880 174.119 174.900 0.164 0.000 1.382 42 G CA -0.773 44.492 45.100 0.275 0.000 1.045 42 G HN 0.439 nan 8.290 nan 0.000 0.533 43 Q N -1.175 118.670 119.800 0.074 0.000 2.260 43 Q HA 0.359 4.341 4.340 -0.597 0.000 0.238 43 Q C -0.763 175.122 176.000 -0.191 0.000 0.948 43 Q CA -0.778 54.882 55.803 -0.238 0.000 0.895 43 Q CB 2.078 30.351 28.738 -0.776 0.000 1.218 43 Q HN 0.316 nan 8.270 nan 0.000 0.470 44 L N 1.542 122.651 121.223 -0.190 0.000 2.315 44 L HA 0.157 4.138 4.340 -0.597 0.000 0.283 44 L C -1.389 175.364 176.870 -0.194 0.000 1.089 44 L CA 0.248 55.033 54.840 -0.092 0.000 0.833 44 L CB 0.084 42.106 42.059 -0.062 0.000 1.170 44 L HN 0.489 nan 8.230 nan 0.000 0.442 45 W N 6.649 127.950 121.300 0.001 0.000 2.247 45 W HA 0.299 4.603 4.660 -0.594 0.000 0.394 45 W C 0.614 177.030 176.519 -0.171 0.000 0.939 45 W CA -0.382 56.911 57.345 -0.086 0.000 1.548 45 W CB 0.095 29.548 29.460 -0.012 0.000 1.610 45 W HN 0.775 nan 8.180 nan 0.000 0.336 46 N N -0.016 118.657 118.700 -0.044 0.000 2.142 46 N HA -0.004 4.378 4.740 -0.597 0.000 0.233 46 N C -0.398 175.066 175.510 -0.076 0.000 1.335 46 N CA -0.191 52.824 53.050 -0.058 0.000 0.837 46 N CB 0.110 38.575 38.487 -0.037 0.000 1.238 46 N HN 0.110 nan 8.380 nan 0.000 0.501 47 Q N 1.371 121.116 119.800 -0.091 0.000 2.290 47 Q HA 0.500 4.481 4.340 -0.597 0.000 0.259 47 Q C -2.632 173.333 176.000 -0.058 0.000 0.941 47 Q CA -1.757 54.002 55.803 -0.073 0.000 0.912 47 Q CB 1.934 30.623 28.738 -0.081 0.000 1.244 47 Q HN 0.156 nan 8.270 nan 0.000 0.441 48 P HA 0.016 nan 4.420 nan 0.000 0.268 48 P C 0.123 177.412 177.300 -0.019 0.000 1.204 48 P CA 0.331 63.413 63.100 -0.030 0.000 0.768 48 P CB 0.720 32.409 31.700 -0.018 0.000 0.842 49 G N 3.844 112.641 108.800 -0.006 0.000 2.543 49 G HA2 0.245 3.847 3.960 -0.597 0.000 0.267 49 G HA3 0.245 3.847 3.960 -0.597 0.000 0.267 49 G C -1.677 173.217 174.900 -0.010 0.000 1.406 49 G CA -1.038 44.058 45.100 -0.006 0.000 1.048 49 G HN 0.249 nan 8.290 nan 0.000 0.548 50 P HA 0.021 nan 4.420 nan 0.000 0.225 50 P C 0.617 177.915 177.300 -0.003 0.000 1.148 50 P CA 1.234 64.323 63.100 -0.017 0.000 0.779 50 P CB 0.177 31.857 31.700 -0.032 0.000 0.780 51 D N -2.263 118.142 120.400 0.008 0.000 2.340 51 D HA 0.144 4.426 4.640 -0.597 0.000 0.217 51 D C 1.417 177.733 176.300 0.028 0.000 1.081 51 D CA 0.249 54.261 54.000 0.021 0.000 0.842 51 D CB -0.873 39.947 40.800 0.033 0.000 0.934 51 D HN 0.151 nan 8.370 nan 0.000 0.511 52 G N -0.138 108.673 108.800 0.019 0.000 2.179 52 G HA2 -0.289 3.313 3.960 -0.597 0.000 0.260 52 G HA3 -0.289 3.313 3.960 -0.597 0.000 0.260 52 G C 0.096 175.010 174.900 0.024 0.000 0.977 52 G CA 0.016 45.129 45.100 0.021 0.000 0.641 52 G HN 0.432 nan 8.290 nan 0.000 0.533 53 N N -0.141 118.576 118.700 0.027 0.000 2.443 53 N HA 0.573 4.955 4.740 -0.597 0.000 0.293 53 N C 1.561 177.058 175.510 -0.022 0.000 1.159 53 N CA -0.734 52.327 53.050 0.018 0.000 0.904 53 N CB 1.014 39.537 38.487 0.061 0.000 1.214 53 N HN -0.124 nan 8.380 nan 0.000 0.513 54 I N 0.294 120.797 120.570 -0.111 0.000 2.202 54 I HA -0.045 3.767 4.170 -0.597 0.000 0.242 54 I C 0.504 176.470 176.117 -0.251 0.000 1.091 54 I CA 1.439 62.576 61.300 -0.271 0.000 1.368 54 I CB -0.485 37.160 38.000 -0.592 0.000 1.058 54 I HN 0.314 nan 8.210 nan 0.000 0.410 55 F N -0.539 119.455 119.950 0.074 0.000 2.538 55 F HA 0.377 4.546 4.527 -0.596 0.000 0.325 55 F C 0.666 176.492 175.800 0.044 0.000 1.066 55 F CA -1.210 56.801 58.000 0.018 0.000 0.946 55 F CB 0.697 39.660 39.000 -0.063 0.000 1.199 55 F HN -0.157 nan 8.300 nan 0.000 0.473 56 C N 1.507 120.965 119.300 0.263 0.000 2.689 56 C HA 0.557 4.659 4.460 -0.597 0.000 0.409 56 C C 1.097 176.240 174.990 0.254 0.000 1.293 56 C CA -0.473 58.663 59.018 0.197 0.000 2.136 56 C CB -0.185 27.620 27.740 0.107 0.000 2.719 56 C HN 0.958 nan 8.230 nan 0.000 0.644 57 G N 1.089 110.013 108.800 0.208 0.000 2.511 57 G HA2 0.489 4.091 3.960 -0.597 0.000 0.316 57 G HA3 0.489 4.091 3.960 -0.597 0.000 0.316 57 G C 0.352 175.415 174.900 0.272 0.000 1.210 57 G CA -0.626 44.590 45.100 0.193 0.000 0.969 57 G HN 0.656 nan 8.290 nan 0.000 0.492 58 M N -0.526 119.161 119.600 0.145 0.000 2.319 58 M HA 0.121 4.243 4.480 -0.597 0.000 0.265 58 M C 1.942 178.341 176.300 0.165 0.000 1.068 58 M CA 0.811 56.196 55.300 0.142 0.000 1.118 58 M CB -0.111 32.462 32.600 -0.045 0.000 1.395 58 M HN 0.302 nan 8.290 nan 0.000 0.435 59 L N 0.234 121.524 121.223 0.112 0.000 2.567 59 L HA 0.075 4.057 4.340 -0.597 0.000 0.225 59 L C 0.694 177.614 176.870 0.082 0.000 1.119 59 L CA 0.500 55.391 54.840 0.084 0.000 0.871 59 L CB -0.233 41.861 42.059 0.059 0.000 1.036 59 L HN 0.375 nan 8.230 nan 0.000 0.459 60 N N -1.250 117.511 118.700 0.101 0.000 2.642 60 N HA 0.213 4.595 4.740 -0.597 0.000 0.308 60 N C -2.985 172.560 175.510 0.058 0.000 1.914 60 N CA -1.527 51.565 53.050 0.070 0.000 0.893 60 N CB 0.002 38.525 38.487 0.060 0.000 1.322 60 N HN -0.023 nan 8.380 nan 0.000 0.490 61 P HA 0.146 nan 4.420 nan 0.000 0.269 61 P C -0.530 176.720 177.300 -0.083 0.000 1.209 61 P CA 0.412 63.471 63.100 -0.068 0.000 0.776 61 P CB 1.176 32.828 31.700 -0.080 0.000 0.876 62 D N 1.112 121.431 120.400 -0.133 0.000 2.958 62 D HA 0.129 4.411 4.640 -0.597 0.000 0.306 62 D C 1.061 177.283 176.300 -0.130 0.000 1.226 62 D CA -0.668 53.268 54.000 -0.107 0.000 1.032 62 D CB 0.101 40.852 40.800 -0.082 0.000 1.400 62 D HN 0.277 nan 8.370 nan 0.000 0.587 63 K N -0.093 120.220 120.400 -0.144 0.000 2.211 63 K HA -0.081 3.881 4.320 -0.597 0.000 0.204 63 K C 1.592 178.186 176.600 -0.010 0.000 1.047 63 K CA 0.817 57.020 56.287 -0.141 0.000 0.935 63 K CB -0.165 32.160 32.500 -0.292 0.000 0.728 63 K HN 0.210 nan 8.250 nan 0.000 0.452 64 R N 0.944 121.446 120.500 0.004 0.000 2.193 64 R HA 0.002 3.984 4.340 -0.597 0.000 0.229 64 R C 2.081 178.466 176.300 0.142 0.000 1.110 64 R CA 1.273 57.545 56.100 0.287 0.000 0.988 64 R CB -0.124 30.358 30.300 0.304 0.000 0.871 64 R HN 0.242 nan 8.270 nan 0.000 0.458 65 S N -0.110 115.514 115.700 -0.128 0.000 2.428 65 S HA -0.044 4.067 4.470 -0.597 0.000 0.230 65 S C 0.926 175.482 174.600 -0.073 0.000 1.014 65 S CA 0.598 58.559 58.200 -0.399 0.000 0.957 65 S CB 0.179 62.646 63.200 -1.222 0.000 0.784 65 S HN 0.212 nan 8.310 nan 0.000 0.499 66 S N 0.118 115.844 115.700 0.043 0.000 2.538 66 S HA 0.389 4.501 4.470 -0.597 0.000 0.288 66 S C -1.551 173.154 174.600 0.175 0.000 1.108 66 S CA -0.779 57.496 58.200 0.125 0.000 0.971 66 S CB 0.891 64.128 63.200 0.062 0.000 1.041 66 S HN 0.515 nan 8.310 nan 0.000 0.483 67 W N 6.835 128.165 121.300 0.049 0.000 2.507 67 W HA 0.285 4.586 4.660 -0.599 0.000 0.334 67 W C -1.104 175.472 176.519 0.094 0.000 1.165 67 W CA -0.613 56.756 57.345 0.039 0.000 1.460 67 W CB -0.554 28.999 29.460 0.155 0.000 1.404 67 W HN 0.887 nan 8.180 nan 0.000 0.435 68 F N 3.535 123.338 119.950 -0.246 0.000 2.969 68 F HA -0.335 3.834 4.527 -0.596 0.000 0.273 68 F C 0.439 176.212 175.800 -0.045 0.000 0.986 68 F CA 1.089 58.950 58.000 -0.232 0.000 0.926 68 F CB -1.113 37.636 39.000 -0.418 0.000 0.887 68 F HN 0.152 nan 8.300 nan 0.000 0.816 69 K N 0.592 121.026 120.400 0.057 0.000 2.281 69 K HA 0.458 4.420 4.320 -0.597 0.000 0.242 69 K C 0.733 177.359 176.600 0.044 0.000 0.971 69 K CA -0.634 55.697 56.287 0.074 0.000 0.834 69 K CB 1.204 33.756 32.500 0.087 0.000 1.181 69 K HN 0.116 nan 8.250 nan 0.000 0.435 70 N N 0.442 119.170 118.700 0.048 0.000 2.236 70 N HA 0.010 4.392 4.740 -0.597 0.000 0.196 70 N C -0.113 175.415 175.510 0.030 0.000 1.114 70 N CA -0.093 52.977 53.050 0.034 0.000 0.859 70 N CB 0.652 39.160 38.487 0.036 0.000 0.982 70 N HN 0.468 nan 8.380 nan 0.000 0.493 71 R N -0.128 120.396 120.500 0.039 0.000 2.594 71 R HA 0.243 4.224 4.340 -0.597 0.000 0.265 71 R C -0.988 175.342 176.300 0.051 0.000 1.070 71 R CA -0.441 55.684 56.100 0.042 0.000 0.909 71 R CB 1.053 31.387 30.300 0.056 0.000 1.243 71 R HN 0.188 nan 8.270 nan 0.000 0.455 72 T N -0.124 114.452 114.554 0.037 0.000 2.802 72 T HA 0.277 4.269 4.350 -0.597 0.000 0.305 72 T C -0.113 174.654 174.700 0.112 0.000 1.053 72 T CA -0.385 61.741 62.100 0.044 0.000 1.058 72 T CB 0.968 69.836 68.868 0.001 0.000 0.988 72 T HN 0.527 nan 8.240 nan 0.000 0.539 73 E N -0.140 120.159 120.200 0.164 0.000 2.317 73 E HA 0.552 4.543 4.350 -0.597 0.000 0.270 73 E C -0.596 176.165 176.600 0.269 0.000 0.885 73 E CA -1.288 55.251 56.400 0.231 0.000 0.760 73 E CB 2.333 32.189 29.700 0.260 0.000 1.227 73 E HN 0.923 nan 8.360 nan 0.000 0.434 74 A N 2.872 125.857 122.820 0.274 0.000 2.407 74 A HA 0.384 4.345 4.320 -0.597 0.000 0.248 74 A C -2.276 175.441 177.584 0.222 0.000 1.082 74 A CA -1.057 51.124 52.037 0.239 0.000 0.785 74 A CB -0.359 18.784 19.000 0.239 0.000 1.020 74 A HN 0.250 nan 8.150 nan 0.000 0.489 75 P HA 0.111 nan 4.420 nan 0.000 0.266 75 P C -0.554 176.797 177.300 0.085 0.000 1.195 75 P CA 0.151 63.287 63.100 0.059 0.000 0.768 75 P CB 0.236 31.922 31.700 -0.023 0.000 0.838 76 L N 2.601 123.843 121.223 0.032 0.000 2.513 76 L HA 0.165 4.146 4.340 -0.597 0.000 0.272 76 L C 1.753 178.675 176.870 0.087 0.000 1.187 76 L CA 1.155 56.015 54.840 0.032 0.000 0.895 76 L CB -0.750 41.175 42.059 -0.224 0.000 1.147 76 L HN 0.836 nan 8.230 nan 0.000 0.483 77 G N 1.911 110.819 108.800 0.180 0.000 2.232 77 G HA2 -0.257 3.345 3.960 -0.597 0.000 0.226 77 G HA3 -0.257 3.345 3.960 -0.597 0.000 0.226 77 G C 0.748 175.712 174.900 0.107 0.000 0.996 77 G CA 0.222 45.354 45.100 0.053 0.000 0.626 77 G HN 0.549 nan 8.290 nan 0.000 0.509 78 S N -0.110 115.697 115.700 0.178 0.000 2.663 78 S HA 0.373 4.485 4.470 -0.597 0.000 0.243 78 S C 1.094 175.844 174.600 0.250 0.000 1.009 78 S CA 0.297 58.684 58.200 0.312 0.000 0.988 78 S CB 0.083 63.402 63.200 0.198 0.000 0.896 78 S HN 0.506 nan 8.310 nan 0.000 0.502 79 F N 2.754 122.722 119.950 0.030 0.000 2.115 79 F HA -0.181 3.988 4.527 -0.597 0.000 0.300 79 F C 1.546 177.251 175.800 -0.159 0.000 1.092 79 F CA 1.646 59.625 58.000 -0.034 0.000 1.245 79 F CB -0.251 38.726 39.000 -0.038 0.000 0.995 79 F HN 0.208 nan 8.300 nan 0.000 0.481 80 L N -1.277 119.762 121.223 -0.307 0.000 2.265 80 L HA -0.234 3.748 4.340 -0.597 0.000 0.215 80 L C 1.867 178.202 176.870 -0.891 0.000 1.117 80 L CA 0.918 55.295 54.840 -0.770 0.000 0.782 80 L CB -0.569 40.681 42.059 -1.348 0.000 0.914 80 L HN 0.391 nan 8.230 nan 0.000 0.441 81 W N -1.688 119.533 121.300 -0.132 0.000 2.901 81 W HA 0.220 4.717 4.660 -0.271 0.000 0.281 81 W C 1.667 178.105 176.519 -0.135 0.000 1.167 81 W CA -0.042 57.230 57.345 -0.122 0.000 1.506 81 W CB 0.291 29.691 29.460 -0.099 0.000 0.985 81 W HN 0.058 nan 8.180 nan 0.000 0.590 82 L N 0.073 121.321 121.223 0.042 0.000 2.693 82 L HA 0.065 4.046 4.340 -0.597 0.000 0.235 82 L C 1.651 178.450 176.870 -0.118 0.000 1.127 82 L CA 0.270 55.111 54.840 0.001 0.000 0.914 82 L CB -0.165 41.935 42.059 0.069 0.000 1.193 82 L HN -0.223 nan 8.230 nan 0.000 0.502 83 D N 0.500 120.685 120.400 -0.358 0.000 2.218 83 D HA -0.185 4.097 4.640 -0.597 0.000 0.204 83 D C 2.134 178.296 176.300 -0.229 0.000 0.976 83 D CA 0.869 54.593 54.000 -0.460 0.000 0.853 83 D CB 0.264 40.402 40.800 -1.103 0.000 0.939 83 D HN 0.046 nan 8.370 nan 0.000 0.481 84 V N 0.138 119.944 119.914 -0.180 0.000 2.568 84 V HA -0.162 3.600 4.120 -0.597 0.000 0.253 84 V C 2.102 178.167 176.094 -0.048 0.000 1.072 84 V CA 1.884 64.127 62.300 -0.096 0.000 1.084 84 V CB -0.133 31.648 31.823 -0.070 0.000 0.676 84 V HN 0.361 nan 8.190 nan 0.000 0.469 85 V N -1.827 118.069 119.914 -0.031 0.000 3.649 85 V HA 0.297 4.059 4.120 -0.597 0.000 0.275 85 V C 0.875 176.973 176.094 0.007 0.000 1.281 85 V CA -0.174 62.126 62.300 -0.000 0.000 1.143 85 V CB -0.925 30.912 31.823 0.024 0.000 0.892 85 V HN 0.496 nan 8.190 nan 0.000 0.441 86 N N 3.525 122.224 118.700 -0.001 0.000 2.479 86 N HA 0.357 4.739 4.740 -0.597 0.000 0.257 86 N C 0.025 175.542 175.510 0.012 0.000 1.232 86 N CA 0.213 53.274 53.050 0.019 0.000 0.920 86 N CB 0.925 39.434 38.487 0.038 0.000 1.105 86 N HN 0.797 nan 8.380 nan 0.000 0.444 87 R N -0.034 120.474 120.500 0.013 0.000 2.740 87 R HA 0.440 4.422 4.340 -0.597 0.000 0.273 87 R C -0.971 175.333 176.300 0.006 0.000 0.998 87 R CA -0.946 55.157 56.100 0.005 0.000 0.900 87 R CB 0.738 31.034 30.300 -0.006 0.000 1.223 87 R HN 0.208 nan 8.270 nan 0.000 0.466 88 N N 1.497 120.200 118.700 0.006 0.000 2.441 88 N HA 0.242 4.623 4.740 -0.597 0.000 0.251 88 N C -0.092 175.411 175.510 -0.010 0.000 1.242 88 N CA 0.156 53.209 53.050 0.005 0.000 0.898 88 N CB 0.431 38.922 38.487 0.006 0.000 1.100 88 N HN 0.597 nan 8.380 nan 0.000 0.443 89 I N -2.729 117.834 120.570 -0.012 0.000 2.994 89 I HA 0.471 4.282 4.170 -0.597 0.000 0.306 89 I C -1.032 175.072 176.117 -0.022 0.000 1.195 89 I CA -1.120 60.161 61.300 -0.032 0.000 1.001 89 I CB 2.201 40.173 38.000 -0.046 0.000 1.244 89 I HN 0.009 nan 8.210 nan 0.000 0.437 90 D N 4.194 124.573 120.400 -0.036 0.000 2.308 90 D HA 0.311 4.593 4.640 -0.597 0.000 0.251 90 D C -2.424 173.872 176.300 -0.008 0.000 1.127 90 D CA -0.987 53.005 54.000 -0.014 0.000 0.876 90 D CB 1.120 41.909 40.800 -0.018 0.000 1.176 90 D HN 0.334 nan 8.370 nan 0.000 0.446 91 P HA 0.000 nan 4.420 nan 0.000 0.261 91 P C -0.983 176.236 177.300 -0.136 0.000 1.183 91 P CA 0.454 63.555 63.100 0.001 0.000 0.761 91 P CB 0.088 31.892 31.700 0.173 0.000 0.785 92 Y N 2.115 121.922 120.300 -0.822 0.000 2.609 92 Y HA 0.532 4.724 4.550 -0.597 0.000 0.336 92 Y C -0.675 174.284 175.900 -1.568 0.000 1.129 92 Y CA -1.335 56.229 58.100 -0.892 0.000 1.040 92 Y CB 1.339 39.568 38.460 -0.386 0.000 1.310 92 Y HN 0.350 nan 8.280 nan 0.000 0.460 93 A N 3.069 124.842 122.820 -1.744 0.000 3.029 93 A HA 0.447 4.409 4.320 -0.597 0.000 0.251 93 A C 0.671 178.085 177.584 -0.284 0.000 1.749 93 A CA 0.512 51.872 52.037 -1.128 0.000 1.386 93 A CB -1.639 16.990 19.000 -0.617 0.000 1.043 93 A HN 0.954 nan 8.150 nan 0.000 0.638 94 G N -1.144 107.694 108.800 0.062 0.000 2.588 94 G HA2 0.308 3.910 3.960 -0.597 0.000 0.278 94 G HA3 0.308 3.910 3.960 -0.597 0.000 0.278 94 G C 0.922 176.217 174.900 0.658 0.000 1.307 94 G CA 0.253 45.686 45.100 0.555 0.000 1.016 94 G HN 0.522 nan 8.290 nan 0.000 0.503 95 V N -0.908 119.227 119.914 0.369 0.000 3.174 95 V HA 0.295 4.057 4.120 -0.597 0.000 0.254 95 V C 0.459 176.636 176.094 0.137 0.000 1.120 95 V CA 0.515 62.897 62.300 0.136 0.000 1.114 95 V CB -0.183 31.368 31.823 -0.454 0.000 0.756 95 V HN 0.383 nan 8.190 nan 0.000 0.467 96 L N 1.047 122.392 121.223 0.203 0.000 2.325 96 L HA 0.618 4.599 4.340 -0.597 0.000 0.281 96 L C -1.118 175.905 176.870 0.255 0.000 1.004 96 L CA -0.196 54.768 54.840 0.208 0.000 0.823 96 L CB 1.543 43.769 42.059 0.278 0.000 1.236 96 L HN 0.027 nan 8.230 nan 0.000 0.415 97 D N 4.102 124.613 120.400 0.186 0.000 2.414 97 D HA 0.253 4.535 4.640 -0.597 0.000 0.232 97 D C -0.569 175.765 176.300 0.056 0.000 1.070 97 D CA -0.351 53.748 54.000 0.165 0.000 0.839 97 D CB 1.044 41.848 40.800 0.007 0.000 1.079 97 D HN 0.520 nan 8.370 nan 0.000 0.521 98 R N 3.725 124.217 120.500 -0.014 0.000 2.248 98 R HA 0.356 4.338 4.340 -0.597 0.000 0.328 98 R C -1.115 175.062 176.300 -0.205 0.000 1.067 98 R CA -0.471 55.418 56.100 -0.351 0.000 0.924 98 R CB 0.492 30.563 30.300 -0.382 0.000 1.013 98 R HN 0.166 nan 8.270 nan 0.000 0.454 99 V N 5.829 125.599 119.914 -0.240 0.000 2.333 99 V HA 0.190 3.952 4.120 -0.597 0.000 0.274 99 V C -0.306 175.564 176.094 -0.374 0.000 1.028 99 V CA -0.842 61.305 62.300 -0.256 0.000 0.851 99 V CB 1.091 32.783 31.823 -0.219 0.000 1.000 99 V HN 0.761 nan 8.190 nan 0.000 0.456 100 N N 4.691 123.180 118.700 -0.352 0.000 2.422 100 N HA 0.450 4.832 4.740 -0.597 0.000 0.266 100 N C -0.759 174.523 175.510 -0.379 0.000 1.007 100 N CA -0.134 52.763 53.050 -0.255 0.000 0.941 100 N CB 1.426 39.847 38.487 -0.110 0.000 1.115 100 N HN 0.544 nan 8.380 nan 0.000 0.492 101 Y N -0.005 120.286 120.300 -0.014 0.000 2.618 101 Y HA 0.199 4.390 4.550 -0.597 0.000 0.326 101 Y C 1.530 177.434 175.900 0.007 0.000 1.168 101 Y CA -0.950 57.138 58.100 -0.020 0.000 1.269 101 Y CB 0.851 39.264 38.460 -0.079 0.000 1.388 101 Y HN 0.320 nan 8.280 nan 0.000 0.528 102 D N -0.391 120.126 120.400 0.195 0.000 2.144 102 D HA -0.135 4.146 4.640 -0.597 0.000 0.199 102 D C 0.389 176.761 176.300 0.121 0.000 0.984 102 D CA 1.766 55.836 54.000 0.117 0.000 0.834 102 D CB 0.082 40.933 40.800 0.084 0.000 0.955 102 D HN 0.553 nan 8.370 nan 0.000 0.465 103 Q N -1.279 118.620 119.800 0.165 0.000 2.088 103 Q HA 0.293 4.275 4.340 -0.597 0.000 0.270 103 Q C -0.753 175.407 176.000 0.268 0.000 0.854 103 Q CA -0.253 55.663 55.803 0.187 0.000 1.104 103 Q CB 1.273 30.108 28.738 0.161 0.000 1.251 103 Q HN 0.020 nan 8.270 nan 0.000 0.436 104 M N 0.186 119.923 119.600 0.227 0.000 2.365 104 M HA 0.365 4.487 4.480 -0.597 0.000 0.288 104 M C -1.888 174.523 176.300 0.186 0.000 1.152 104 M CA -0.119 55.297 55.300 0.193 0.000 0.948 104 M CB 2.387 35.030 32.600 0.072 0.000 1.729 104 M HN -0.151 nan 8.290 nan 0.000 0.487 105 S N 3.038 118.847 115.700 0.182 0.000 2.498 105 S HA 0.817 4.928 4.470 -0.597 0.000 0.317 105 S C -1.133 173.572 174.600 0.176 0.000 1.090 105 S CA -0.698 57.567 58.200 0.108 0.000 1.089 105 S CB 1.281 64.540 63.200 0.098 0.000 0.997 105 S HN 0.573 nan 8.310 nan 0.000 0.470 106 V N 4.256 124.233 119.914 0.106 0.000 2.435 106 V HA 0.432 4.194 4.120 -0.597 0.000 0.290 106 V C -1.230 174.945 176.094 0.135 0.000 1.030 106 V CA -0.708 61.747 62.300 0.258 0.000 0.881 106 V CB 0.711 32.733 31.823 0.331 0.000 0.983 106 V HN 0.780 nan 8.190 nan 0.000 0.445 107 Y N 3.889 124.373 120.300 0.306 0.000 2.331 107 Y HA 0.680 4.875 4.550 -0.593 0.000 0.338 107 Y C 0.203 176.206 175.900 0.172 0.000 0.992 107 Y CA -0.787 57.454 58.100 0.236 0.000 1.121 107 Y CB 1.967 40.591 38.460 0.273 0.000 1.184 107 Y HN 0.548 nan 8.280 nan 0.000 0.469 108 V N -0.150 119.889 119.914 0.209 0.000 3.007 108 V HA 0.986 4.748 4.120 -0.597 0.000 0.311 108 V C 0.011 176.144 176.094 0.065 0.000 1.120 108 V CA -1.094 61.286 62.300 0.132 0.000 0.980 108 V CB 1.601 33.476 31.823 0.086 0.000 1.033 108 V HN 0.873 nan 8.190 nan 0.000 0.429 109 G N 2.222 111.046 108.800 0.040 0.000 2.503 109 G HA2 0.614 4.216 3.960 -0.597 0.000 0.257 109 G HA3 0.614 4.216 3.960 -0.597 0.000 0.257 109 G C -0.404 174.467 174.900 -0.049 0.000 1.214 109 G CA -0.762 44.338 45.100 0.001 0.000 0.839 109 G HN 0.764 nan 8.290 nan 0.000 0.559 110 R N 0.868 121.353 120.500 -0.026 0.000 2.473 110 R HA 0.658 4.639 4.340 -0.597 0.000 0.303 110 R C 0.002 176.422 176.300 0.199 0.000 1.002 110 R CA -0.188 55.859 56.100 -0.088 0.000 0.884 110 R CB 1.517 31.608 30.300 -0.348 0.000 1.173 110 R HN 1.081 nan 8.270 nan 0.000 0.464 111 G N 0.349 109.260 108.800 0.186 0.000 2.356 111 G HA2 -0.028 3.574 3.960 -0.597 0.000 0.300 111 G HA3 -0.028 3.574 3.960 -0.597 0.000 0.300 111 G C -1.416 173.605 174.900 0.202 0.000 1.331 111 G CA -0.982 44.333 45.100 0.359 0.000 0.905 111 G HN 0.189 nan 8.290 nan 0.000 0.587 112 V N 1.643 121.685 119.914 0.213 0.000 2.425 112 V HA 0.457 4.219 4.120 -0.597 0.000 0.276 112 V C 1.612 177.751 176.094 0.074 0.000 1.017 112 V CA 2.187 64.548 62.300 0.103 0.000 1.062 112 V CB 0.102 31.972 31.823 0.079 0.000 0.997 112 V HN 2.592 nan 8.190 nan 0.000 0.476 113 G N 3.393 112.181 108.800 -0.020 0.000 2.211 113 G HA2 0.069 3.670 3.960 -0.597 0.000 0.201 113 G HA3 0.069 3.670 3.960 -0.597 0.000 0.201 113 G C 0.860 175.666 174.900 -0.156 0.000 0.997 113 G CA 0.101 45.132 45.100 -0.115 0.000 0.652 113 G HN 1.863 nan 8.290 nan 0.000 0.500 114 G N -0.142 108.617 108.800 -0.068 0.000 2.596 114 G HA2 0.098 3.700 3.960 -0.597 0.000 0.295 114 G HA3 0.098 3.700 3.960 -0.597 0.000 0.295 114 G C 1.758 176.631 174.900 -0.046 0.000 1.240 114 G CA 1.862 46.929 45.100 -0.055 0.000 0.985 114 G HN 1.851 nan 8.290 nan 0.000 0.555 115 G N -0.674 108.134 108.800 0.014 0.000 2.498 115 G HA2 0.076 3.678 3.960 -0.597 0.000 0.219 115 G HA3 0.076 3.678 3.960 -0.597 0.000 0.219 115 G C 2.034 176.960 174.900 0.044 0.000 1.119 115 G CA 1.864 47.007 45.100 0.071 0.000 0.766 115 G HN 1.369 nan 8.290 nan 0.000 0.552 116 S N -0.073 115.588 115.700 -0.066 0.000 2.402 116 S HA -0.066 4.046 4.470 -0.597 0.000 0.233 116 S C 2.375 176.895 174.600 -0.134 0.000 1.030 116 S CA 0.950 59.063 58.200 -0.146 0.000 1.003 116 S CB -0.218 62.735 63.200 -0.412 0.000 0.813 116 S HN 0.409 nan 8.310 nan 0.000 0.477 117 L N 0.891 122.024 121.223 -0.151 0.000 2.131 117 L HA -0.061 3.921 4.340 -0.597 0.000 0.210 117 L C 2.145 178.831 176.870 -0.306 0.000 1.092 117 L CA 1.380 56.079 54.840 -0.234 0.000 0.759 117 L CB -0.398 41.520 42.059 -0.235 0.000 0.903 117 L HN 0.428 nan 8.230 nan 0.000 0.435 118 V N -3.993 115.804 119.914 -0.195 0.000 3.605 118 V HA 0.203 3.964 4.120 -0.597 0.000 0.284 118 V C 0.647 176.669 176.094 -0.120 0.000 1.386 118 V CA -0.327 61.859 62.300 -0.191 0.000 1.053 118 V CB -0.715 31.024 31.823 -0.139 0.000 0.857 118 V HN 0.464 nan 8.190 nan 0.000 0.436 119 N N 1.603 120.284 118.700 -0.032 0.000 2.379 119 N HA 0.410 4.792 4.740 -0.597 0.000 0.260 119 N C 1.147 176.705 175.510 0.081 0.000 1.254 119 N CA 0.186 53.273 53.050 0.062 0.000 0.958 119 N CB 0.722 39.325 38.487 0.193 0.000 1.208 119 N HN 0.067 nan 8.380 nan 0.000 0.532 120 G N -2.674 106.217 108.800 0.151 0.000 3.026 120 G HA2 0.314 3.916 3.960 -0.597 0.000 0.208 120 G HA3 0.314 3.916 3.960 -0.597 0.000 0.208 120 G C 0.936 175.965 174.900 0.215 0.000 1.169 120 G CA 0.012 45.205 45.100 0.155 0.000 0.788 120 G HN 1.269 nan 8.290 nan 0.000 0.533 121 G N -0.259 108.729 108.800 0.313 0.000 2.184 121 G HA2 -0.326 3.276 3.960 -0.597 0.000 0.264 121 G HA3 -0.326 3.276 3.960 -0.597 0.000 0.264 121 G C 0.530 175.676 174.900 0.410 0.000 0.975 121 G CA 0.449 45.783 45.100 0.390 0.000 0.642 121 G HN 0.457 nan 8.290 nan 0.000 0.536 122 M N 0.949 120.698 119.600 0.249 0.000 2.188 122 M HA 0.499 4.621 4.480 -0.597 0.000 0.354 122 M C 0.483 176.600 176.300 -0.305 0.000 1.342 122 M CA 0.621 55.961 55.300 0.067 0.000 1.117 122 M CB 1.309 33.973 32.600 0.106 0.000 1.670 122 M HN 0.474 nan 8.290 nan 0.000 0.466 123 A N 4.292 126.976 122.820 -0.226 0.000 2.360 123 A HA 0.661 4.622 4.320 -0.597 0.000 0.309 123 A C -1.050 176.394 177.584 -0.232 0.000 1.311 123 A CA -0.650 51.159 52.037 -0.380 0.000 0.805 123 A CB 0.955 19.933 19.000 -0.037 0.000 1.144 123 A HN 0.691 nan 8.150 nan 0.000 0.486 124 V N 2.893 122.614 119.914 -0.322 0.000 2.733 124 V HA 0.440 4.202 4.120 -0.597 0.000 0.306 124 V C -0.556 175.355 176.094 -0.305 0.000 1.084 124 V CA -0.600 61.547 62.300 -0.255 0.000 0.905 124 V CB 1.848 33.507 31.823 -0.274 0.000 1.010 124 V HN 0.918 nan 8.190 nan 0.000 0.424 125 E N 7.926 127.936 120.200 -0.317 0.000 2.354 125 E HA 0.321 4.313 4.350 -0.597 0.000 0.269 125 E C -2.383 173.977 176.600 -0.400 0.000 1.036 125 E CA -1.543 54.561 56.400 -0.493 0.000 0.876 125 E CB 1.020 30.334 29.700 -0.643 0.000 1.009 125 E HN 0.600 nan 8.360 nan 0.000 0.416 126 P HA 0.011 nan 4.420 nan 0.000 0.274 126 P C -0.840 176.415 177.300 -0.074 0.000 1.246 126 P CA -0.210 62.789 63.100 -0.169 0.000 0.795 126 P CB 0.631 32.374 31.700 0.073 0.000 1.006 127 K N 1.267 121.623 120.400 -0.074 0.000 2.447 127 K HA -0.001 3.961 4.320 -0.597 0.000 0.281 127 K C 1.652 178.306 176.600 0.090 0.000 1.031 127 K CA 0.114 56.396 56.287 -0.008 0.000 1.019 127 K CB 0.459 32.974 32.500 0.025 0.000 0.918 127 K HN 0.412 nan 8.250 nan 0.000 0.476 128 R N 2.175 122.606 120.500 -0.115 0.000 2.091 128 R HA -0.193 3.789 4.340 -0.597 0.000 0.238 128 R C 1.980 178.296 176.300 0.028 0.000 1.136 128 R CA 2.313 58.250 56.100 -0.272 0.000 0.959 128 R CB -0.101 29.700 30.300 -0.832 0.000 0.856 128 R HN 0.785 nan 8.270 nan 0.000 0.437 129 S N -0.746 114.981 115.700 0.045 0.000 2.399 129 S HA -0.204 3.908 4.470 -0.597 0.000 0.231 129 S C 1.885 176.614 174.600 0.216 0.000 1.022 129 S CA 0.970 59.238 58.200 0.113 0.000 0.983 129 S CB -0.622 62.640 63.200 0.103 0.000 0.803 129 S HN 0.515 nan 8.310 nan 0.000 0.480 130 Y N 1.373 121.755 120.300 0.136 0.000 2.220 130 Y HA 0.101 4.293 4.550 -0.596 0.000 0.291 130 Y C 1.970 177.959 175.900 0.148 0.000 1.129 130 Y CA 0.387 58.584 58.100 0.163 0.000 1.161 130 Y CB -0.789 37.778 38.460 0.177 0.000 0.997 130 Y HN 0.292 nan 8.280 nan 0.000 0.522 131 F N 1.195 121.179 119.950 0.057 0.000 2.091 131 F HA -0.266 3.902 4.527 -0.598 0.000 0.299 131 F C 2.146 177.939 175.800 -0.012 0.000 1.103 131 F CA 2.385 60.407 58.000 0.037 0.000 1.228 131 F CB -0.287 38.871 39.000 0.263 0.000 0.984 131 F HN 0.108 nan 8.300 nan 0.000 0.477 132 E N -0.357 119.967 120.200 0.208 0.000 2.153 132 E HA -0.266 3.725 4.350 -0.597 0.000 0.194 132 E C 2.073 178.651 176.600 -0.037 0.000 0.988 132 E CA 1.277 57.742 56.400 0.109 0.000 0.811 132 E CB -0.252 29.527 29.700 0.133 0.000 0.746 132 E HN 0.609 nan 8.360 nan 0.000 0.466 133 E N 1.033 121.188 120.200 -0.076 0.000 2.072 133 E HA -0.172 3.820 4.350 -0.597 0.000 0.191 133 E C 2.156 178.620 176.600 -0.227 0.000 0.985 133 E CA 1.242 57.574 56.400 -0.113 0.000 0.801 133 E CB -0.058 29.611 29.700 -0.051 0.000 0.750 133 E HN 0.430 nan 8.360 nan 0.000 0.452 134 I N -2.026 118.300 120.570 -0.407 0.000 2.852 134 I HA 0.089 3.901 4.170 -0.597 0.000 0.264 134 I C 0.752 176.662 176.117 -0.345 0.000 1.179 134 I CA 0.523 61.579 61.300 -0.407 0.000 1.480 134 I CB 0.310 37.979 38.000 -0.551 0.000 1.111 134 I HN -0.066 nan 8.210 nan 0.000 0.441 135 L N 2.598 123.574 121.223 -0.412 0.000 2.594 135 L HA 0.400 4.381 4.340 -0.597 0.000 0.245 135 L C -1.822 174.920 176.870 -0.213 0.000 1.460 135 L CA -1.087 53.533 54.840 -0.366 0.000 0.865 135 L CB 1.126 42.821 42.059 -0.608 0.000 1.131 135 L HN -0.085 nan 8.230 nan 0.000 0.506 136 P HA -0.090 nan 4.420 nan 0.000 0.226 136 P C 1.081 178.368 177.300 -0.022 0.000 1.153 136 P CA 0.933 64.002 63.100 -0.050 0.000 0.777 136 P CB 0.197 31.873 31.700 -0.040 0.000 0.794 137 R N -0.561 119.914 120.500 -0.042 0.000 2.299 137 R HA 0.141 4.123 4.340 -0.597 0.000 0.197 137 R C 0.498 176.788 176.300 -0.016 0.000 0.971 137 R CA 0.053 56.138 56.100 -0.024 0.000 1.030 137 R CB -0.010 30.266 30.300 -0.041 0.000 0.932 137 R HN 0.077 nan 8.270 nan 0.000 0.477 138 V N 1.763 121.676 119.914 -0.003 0.000 2.546 138 V HA 0.016 3.778 4.120 -0.597 0.000 0.284 138 V C -0.157 176.026 176.094 0.148 0.000 1.050 138 V CA -0.744 61.587 62.300 0.051 0.000 0.981 138 V CB 1.479 33.365 31.823 0.105 0.000 0.990 138 V HN 0.064 nan 8.190 nan 0.000 0.474 139 D N 2.840 123.324 120.400 0.140 0.000 2.338 139 D HA 0.110 4.392 4.640 -0.597 0.000 0.255 139 D C 1.332 177.755 176.300 0.207 0.000 1.237 139 D CA 0.463 54.558 54.000 0.159 0.000 0.883 139 D CB 1.125 42.011 40.800 0.142 0.000 1.087 139 D HN 0.633 nan 8.370 nan 0.000 0.485 140 S N 1.660 117.501 115.700 0.235 0.000 2.428 140 S HA -0.129 3.983 4.470 -0.597 0.000 0.230 140 S C 1.844 176.584 174.600 0.234 0.000 1.014 140 S CA 0.486 58.850 58.200 0.273 0.000 0.957 140 S CB -0.019 63.367 63.200 0.311 0.000 0.784 140 S HN 0.343 nan 8.310 nan 0.000 0.499 141 S N 1.870 117.662 115.700 0.154 0.000 2.356 141 S HA -0.100 4.012 4.470 -0.597 0.000 0.223 141 S C 2.147 176.800 174.600 0.088 0.000 1.032 141 S CA 1.445 59.714 58.200 0.116 0.000 1.005 141 S CB -0.472 62.771 63.200 0.072 0.000 0.867 141 S HN 0.788 nan 8.310 nan 0.000 0.449 142 E N 0.968 121.214 120.200 0.075 0.000 2.150 142 E HA -0.002 3.990 4.350 -0.597 0.000 0.193 142 E C 2.166 178.733 176.600 -0.055 0.000 0.985 142 E CA 0.853 57.242 56.400 -0.018 0.000 0.814 142 E CB -0.431 29.334 29.700 0.108 0.000 0.752 142 E HN 0.471 nan 8.360 nan 0.000 0.466 143 M N -0.389 119.252 119.600 0.067 0.000 2.067 143 M HA -0.073 4.049 4.480 -0.597 0.000 0.260 143 M C 2.196 178.416 176.300 -0.133 0.000 1.069 143 M CA 1.728 56.964 55.300 -0.106 0.000 1.117 143 M CB -0.977 31.378 32.600 -0.408 0.000 1.334 143 M HN 0.348 nan 8.290 nan 0.000 0.407 144 Y N 0.564 120.904 120.300 0.067 0.000 2.337 144 Y HA -0.156 4.035 4.550 -0.597 0.000 0.293 144 Y C 2.201 178.121 175.900 0.033 0.000 1.123 144 Y CA 0.987 59.152 58.100 0.108 0.000 1.201 144 Y CB -0.366 38.106 38.460 0.020 0.000 1.011 144 Y HN 0.304 nan 8.280 nan 0.000 0.545 145 D N -0.820 119.626 120.400 0.076 0.000 2.162 145 D HA -0.058 4.224 4.640 -0.597 0.000 0.203 145 D C 2.060 178.303 176.300 -0.095 0.000 0.967 145 D CA 1.134 55.130 54.000 -0.006 0.000 0.840 145 D CB 0.072 40.852 40.800 -0.033 0.000 0.972 145 D HN 0.266 nan 8.370 nan 0.000 0.482 146 R N -1.566 118.796 120.500 -0.230 0.000 2.342 146 R HA 0.030 4.012 4.340 -0.597 0.000 0.179 146 R C 1.799 177.900 176.300 -0.331 0.000 0.989 146 R CA 0.030 55.899 56.100 -0.386 0.000 1.125 146 R CB -0.075 29.788 30.300 -0.728 0.000 1.211 146 R HN -0.001 nan 8.270 nan 0.000 0.568 147 Y N 0.007 120.240 120.300 -0.112 0.000 2.243 147 Y HA 0.034 4.225 4.550 -0.597 0.000 0.293 147 Y C 1.916 177.686 175.900 -0.215 0.000 1.124 147 Y CA 0.844 58.830 58.100 -0.190 0.000 1.159 147 Y CB -0.506 37.776 38.460 -0.298 0.000 1.008 147 Y HN 0.013 nan 8.280 nan 0.000 0.527 148 F N 0.100 120.005 119.950 -0.075 0.000 2.095 148 F HA -0.111 4.058 4.527 -0.597 0.000 0.298 148 F C -0.440 175.329 175.800 -0.052 0.000 1.104 148 F CA 1.210 59.129 58.000 -0.135 0.000 1.232 148 F CB -2.090 36.710 39.000 -0.334 0.000 0.987 148 F HN 0.051 nan 8.300 nan 0.000 0.475 149 P HA -0.179 nan 4.420 nan 0.000 0.216 149 P C 1.629 178.977 177.300 0.080 0.000 1.150 149 P CA 1.664 64.815 63.100 0.086 0.000 0.837 149 P CB -0.140 31.585 31.700 0.041 0.000 0.786 150 R N -0.068 120.475 120.500 0.072 0.000 2.073 150 R HA -0.128 3.854 4.340 -0.597 0.000 0.234 150 R C 2.110 178.485 176.300 0.126 0.000 1.134 150 R CA 1.813 57.963 56.100 0.084 0.000 0.952 150 R CB -0.930 29.434 30.300 0.105 0.000 0.850 150 R HN 0.050 nan 8.270 nan 0.000 0.433 151 A N 1.441 124.358 122.820 0.162 0.000 1.883 151 A HA -0.205 3.757 4.320 -0.597 0.000 0.217 151 A C 1.844 179.557 177.584 0.216 0.000 1.186 151 A CA 1.787 53.962 52.037 0.230 0.000 0.624 151 A CB -0.702 18.412 19.000 0.191 0.000 0.822 151 A HN 0.438 nan 8.150 nan 0.000 0.444 152 N N 0.178 118.981 118.700 0.172 0.000 2.223 152 N HA -0.090 4.292 4.740 -0.597 0.000 0.185 152 N C 1.982 177.556 175.510 0.107 0.000 1.016 152 N CA 1.486 54.623 53.050 0.146 0.000 0.863 152 N CB -0.373 38.187 38.487 0.121 0.000 0.983 152 N HN 0.470 nan 8.380 nan 0.000 0.429 153 S N 0.979 116.727 115.700 0.080 0.000 2.345 153 S HA 0.007 4.119 4.470 -0.597 0.000 0.220 153 S C 2.004 176.602 174.600 -0.003 0.000 1.031 153 S CA 0.854 59.075 58.200 0.036 0.000 0.996 153 S CB -0.056 63.155 63.200 0.018 0.000 0.882 153 S HN 0.252 nan 8.310 nan 0.000 0.445 154 M N 0.987 120.569 119.600 -0.029 0.000 2.159 154 M HA 0.027 4.148 4.480 -0.597 0.000 0.263 154 M C 1.951 178.170 176.300 -0.136 0.000 1.063 154 M CA 1.215 56.389 55.300 -0.209 0.000 1.110 154 M CB -1.343 30.964 32.600 -0.488 0.000 1.374 154 M HN 0.276 nan 8.290 nan 0.000 0.411 155 L N -0.448 120.835 121.223 0.102 0.000 2.465 155 L HA -0.074 3.908 4.340 -0.597 0.000 0.224 155 L C 0.541 177.464 176.870 0.088 0.000 1.145 155 L CA 0.294 55.245 54.840 0.186 0.000 0.834 155 L CB -0.264 41.987 42.059 0.319 0.000 0.944 155 L HN 0.387 nan 8.230 nan 0.000 0.451 156 R N -1.155 119.370 120.500 0.041 0.000 3.418 156 R HA -0.118 3.864 4.340 -0.597 0.000 0.274 156 R C -0.297 176.021 176.300 0.029 0.000 1.108 156 R CA -0.134 55.975 56.100 0.015 0.000 0.741 156 R CB -2.554 27.735 30.300 -0.019 0.000 1.223 156 R HN 0.064 nan 8.270 nan 0.000 0.434 157 V N 1.660 121.606 119.914 0.052 0.000 2.673 157 V HA 0.038 3.800 4.120 -0.597 0.000 0.303 157 V C 0.986 177.042 176.094 -0.063 0.000 1.046 157 V CA 0.893 63.202 62.300 0.015 0.000 1.126 157 V CB 0.882 32.721 31.823 0.026 0.000 0.934 157 V HN 0.605 nan 8.190 nan 0.000 0.487 158 N N 2.097 120.727 118.700 -0.117 0.000 2.774 158 N HA 0.518 4.899 4.740 -0.597 0.000 0.264 158 N C -1.373 174.021 175.510 -0.193 0.000 1.415 158 N CA -1.054 51.931 53.050 -0.108 0.000 0.815 158 N CB 1.833 40.370 38.487 0.084 0.000 1.514 158 N HN 0.590 nan 8.380 nan 0.000 0.523 159 H N -0.065 119.151 119.070 0.244 0.000 2.600 159 H HA 0.382 4.579 4.556 -0.597 0.000 0.357 159 H C -0.644 174.590 175.328 -0.157 0.000 1.106 159 H CA -0.644 55.442 56.048 0.064 0.000 1.193 159 H CB 2.046 31.779 29.762 -0.049 0.000 1.594 159 H HN 0.524 nan 8.280 nan 0.000 0.526 160 I N 1.707 121.901 120.570 -0.626 0.000 2.696 160 I HA -0.085 3.726 4.170 -0.597 0.000 0.284 160 I C 0.310 176.179 176.117 -0.413 0.000 1.129 160 I CA 0.060 60.810 61.300 -0.917 0.000 1.410 160 I CB 0.446 37.697 38.000 -1.249 0.000 1.399 160 I HN 0.612 nan 8.210 nan 0.000 0.579 161 D N 3.678 123.978 120.400 -0.167 0.000 2.390 161 D HA 0.017 4.299 4.640 -0.597 0.000 0.249 161 D C 1.234 177.508 176.300 -0.042 0.000 1.144 161 D CA 0.165 54.127 54.000 -0.063 0.000 0.880 161 D CB 1.171 42.008 40.800 0.062 0.000 1.182 161 D HN 0.647 nan 8.370 nan 0.000 0.451 162 T N 0.274 114.741 114.554 -0.145 0.000 2.857 162 T HA -0.169 3.823 4.350 -0.597 0.000 0.266 162 T C 1.893 176.670 174.700 0.129 0.000 1.048 162 T CA 0.947 62.981 62.100 -0.110 0.000 1.139 162 T CB -0.185 68.594 68.868 -0.149 0.000 0.874 162 T HN 0.222 nan 8.240 nan 0.000 0.455 163 K N 0.013 120.482 120.400 0.115 0.000 2.057 163 K HA -0.074 3.888 4.320 -0.597 0.000 0.206 163 K C 1.888 178.596 176.600 0.179 0.000 1.050 163 K CA 1.301 57.668 56.287 0.134 0.000 0.935 163 K CB -1.306 31.260 32.500 0.111 0.000 0.715 163 K HN 0.781 nan 8.250 nan 0.000 0.439 164 W N 0.249 121.591 121.300 0.069 0.000 2.355 164 W HA -0.112 4.192 4.660 -0.593 0.000 0.309 164 W C 1.855 178.459 176.519 0.142 0.000 1.206 164 W CA 1.742 59.147 57.345 0.099 0.000 1.284 164 W CB -0.742 28.777 29.460 0.098 0.000 1.145 164 W HN 0.352 nan 8.180 nan 0.000 0.502 165 F N 1.778 121.752 119.950 0.041 0.000 2.120 165 F HA -0.284 3.886 4.527 -0.595 0.000 0.300 165 F C 2.238 177.963 175.800 -0.124 0.000 1.095 165 F CA 2.466 60.394 58.000 -0.120 0.000 1.249 165 F CB -0.453 38.522 39.000 -0.043 0.000 0.995 165 F HN -0.187 nan 8.300 nan 0.000 0.480 166 E N 0.201 120.381 120.200 -0.033 0.000 2.150 166 E HA -0.166 3.826 4.350 -0.597 0.000 0.193 166 E C 1.708 178.182 176.600 -0.211 0.000 0.985 166 E CA 1.355 57.691 56.400 -0.107 0.000 0.814 166 E CB -0.404 29.341 29.700 0.074 0.000 0.752 166 E HN 0.555 nan 8.360 nan 0.000 0.466 167 D N -0.199 120.075 120.400 -0.209 0.000 2.301 167 D HA -0.028 4.254 4.640 -0.597 0.000 0.206 167 D C 0.784 176.918 176.300 -0.276 0.000 0.979 167 D CA 0.439 54.326 54.000 -0.188 0.000 0.874 167 D CB 0.034 40.773 40.800 -0.101 0.000 0.968 167 D HN -0.011 nan 8.370 nan 0.000 0.510 168 T N 0.652 114.928 114.554 -0.464 0.000 2.897 168 T HA 0.058 4.050 4.350 -0.597 0.000 0.294 168 T C 1.394 175.911 174.700 -0.305 0.000 1.004 168 T CA -0.393 61.441 62.100 -0.443 0.000 1.106 168 T CB 1.265 69.591 68.868 -0.903 0.000 0.949 168 T HN 0.141 nan 8.240 nan 0.000 0.520 169 E N 2.921 122.965 120.200 -0.260 0.000 2.204 169 E HA -0.167 3.825 4.350 -0.597 0.000 0.195 169 E C 1.093 177.487 176.600 -0.344 0.000 0.990 169 E CA 1.157 57.360 56.400 -0.329 0.000 0.821 169 E CB -0.300 29.148 29.700 -0.419 0.000 0.750 169 E HN 0.853 nan 8.360 nan 0.000 0.477 170 W N -0.306 120.879 121.300 -0.192 0.000 2.611 170 W HA 0.018 4.327 4.660 -0.585 0.000 0.251 170 W C 0.749 177.056 176.519 -0.352 0.000 1.265 170 W CA 0.322 57.539 57.345 -0.213 0.000 1.295 170 W CB 0.006 29.356 29.460 -0.183 0.000 1.129 170 W HN 0.116 nan 8.180 nan 0.000 0.630 171 Y N -0.577 119.707 120.300 -0.028 0.000 2.682 171 Y HA 0.174 4.371 4.550 -0.589 0.000 0.251 171 Y C 1.981 177.604 175.900 -0.462 0.000 1.172 171 Y CA -0.379 57.556 58.100 -0.276 0.000 1.186 171 Y CB -0.137 38.021 38.460 -0.504 0.000 1.216 171 Y HN -0.200 nan 8.280 nan 0.000 0.540 172 K N 1.112 121.405 120.400 -0.178 0.000 2.113 172 K HA -0.242 3.720 4.320 -0.597 0.000 0.208 172 K C 1.780 178.298 176.600 -0.137 0.000 1.047 172 K CA 2.397 58.578 56.287 -0.176 0.000 0.928 172 K CB -0.370 32.042 32.500 -0.146 0.000 0.716 172 K HN 0.487 nan 8.250 nan 0.000 0.446 173 F N -0.332 119.554 119.950 -0.107 0.000 2.161 173 F HA -0.094 4.077 4.527 -0.592 0.000 0.300 173 F C 1.949 177.748 175.800 -0.001 0.000 1.089 173 F CA 0.916 58.863 58.000 -0.088 0.000 1.282 173 F CB -0.826 38.102 39.000 -0.119 0.000 1.010 173 F HN -0.023 nan 8.300 nan 0.000 0.485 174 A N 1.188 123.436 122.820 -0.953 0.000 1.897 174 A HA -0.046 3.916 4.320 -0.597 0.000 0.215 174 A C 2.365 179.861 177.584 -0.147 0.000 1.181 174 A CA 1.192 52.903 52.037 -0.544 0.000 0.620 174 A CB -0.702 18.048 19.000 -0.417 0.000 0.821 174 A HN 0.459 nan 8.150 nan 0.000 0.443 175 R N -0.530 119.868 120.500 -0.170 0.000 2.115 175 R HA -0.062 3.920 4.340 -0.597 0.000 0.230 175 R C 1.986 178.268 176.300 -0.030 0.000 1.111 175 R CA 1.312 57.368 56.100 -0.073 0.000 0.976 175 R CB -0.537 29.671 30.300 -0.154 0.000 0.870 175 R HN 0.392 nan 8.270 nan 0.000 0.445 176 V N 0.372 120.265 119.914 -0.035 0.000 2.295 176 V HA -0.241 3.521 4.120 -0.597 0.000 0.246 176 V C 2.175 178.302 176.094 0.054 0.000 1.049 176 V CA 1.958 64.267 62.300 0.015 0.000 1.024 176 V CB -0.351 31.477 31.823 0.009 0.000 0.648 176 V HN 0.276 nan 8.190 nan 0.000 0.447 177 S N -0.985 114.758 115.700 0.071 0.000 2.402 177 S HA -0.174 3.937 4.470 -0.597 0.000 0.229 177 S C 2.098 176.767 174.600 0.115 0.000 1.021 177 S CA 1.453 59.748 58.200 0.158 0.000 0.974 177 S CB -0.345 63.014 63.200 0.265 0.000 0.800 177 S HN 0.522 nan 8.310 nan 0.000 0.484 178 R N 1.453 121.989 120.500 0.060 0.000 2.083 178 R HA -0.128 3.854 4.340 -0.597 0.000 0.237 178 R C 2.340 178.659 176.300 0.032 0.000 1.137 178 R CA 1.623 57.739 56.100 0.027 0.000 0.951 178 R CB -0.281 30.021 30.300 0.004 0.000 0.851 178 R HN 0.336 nan 8.270 nan 0.000 0.434 179 E N 0.270 120.497 120.200 0.044 0.000 2.051 179 E HA -0.220 3.772 4.350 -0.597 0.000 0.192 179 E C 1.868 178.505 176.600 0.062 0.000 0.991 179 E CA 1.361 57.793 56.400 0.052 0.000 0.799 179 E CB 0.011 29.750 29.700 0.065 0.000 0.748 179 E HN 0.429 nan 8.360 nan 0.000 0.449 180 Q N 0.058 119.903 119.800 0.076 0.000 2.061 180 Q HA -0.138 3.844 4.340 -0.597 0.000 0.204 180 Q C 2.165 178.195 176.000 0.050 0.000 0.984 180 Q CA 1.443 57.293 55.803 0.077 0.000 0.846 180 Q CB -0.450 28.341 28.738 0.088 0.000 0.902 180 Q HN 0.343 nan 8.270 nan 0.000 0.421 181 A N 1.012 123.857 122.820 0.042 0.000 1.902 181 A HA -0.101 3.861 4.320 -0.597 0.000 0.217 181 A C 2.389 179.968 177.584 -0.009 0.000 1.181 181 A CA 1.802 53.838 52.037 -0.002 0.000 0.623 181 A CB -1.167 17.825 19.000 -0.013 0.000 0.818 181 A HN 0.469 nan 8.150 nan 0.000 0.443 182 G N -0.627 108.177 108.800 0.006 0.000 2.450 182 G HA2 -0.230 3.372 3.960 -0.597 0.000 0.220 182 G HA3 -0.230 3.372 3.960 -0.597 0.000 0.220 182 G C 1.694 176.600 174.900 0.009 0.000 1.130 182 G CA 1.346 46.448 45.100 0.004 0.000 0.760 182 G HN 0.470 nan 8.290 nan 0.000 0.557 183 K N 0.366 120.779 120.400 0.022 0.000 2.362 183 K HA 0.255 4.217 4.320 -0.597 0.000 0.200 183 K C 2.549 179.156 176.600 0.012 0.000 1.046 183 K CA 0.894 57.197 56.287 0.027 0.000 0.952 183 K CB -0.195 32.336 32.500 0.051 0.000 0.753 183 K HN 0.494 nan 8.250 nan 0.000 0.466 184 A N -0.628 122.189 122.820 -0.004 0.000 2.275 184 A HA 0.498 4.460 4.320 -0.597 0.000 0.212 184 A C 1.575 179.141 177.584 -0.029 0.000 1.201 184 A CA 0.614 52.639 52.037 -0.021 0.000 0.843 184 A CB -0.326 18.647 19.000 -0.045 0.000 0.873 184 A HN 0.640 nan 8.150 nan 0.000 0.492 185 G N -1.164 107.623 108.800 -0.021 0.000 2.141 185 G HA2 -0.195 3.407 3.960 -0.597 0.000 0.242 185 G HA3 -0.195 3.407 3.960 -0.597 0.000 0.242 185 G C -0.055 174.825 174.900 -0.032 0.000 0.982 185 G CA 0.325 45.411 45.100 -0.023 0.000 0.662 185 G HN 0.459 nan 8.290 nan 0.000 0.527 186 L N 0.554 121.752 121.223 -0.042 0.000 2.317 186 L HA 0.750 4.731 4.340 -0.597 0.000 0.281 186 L C 0.974 177.820 176.870 -0.039 0.000 1.024 186 L CA -0.550 54.258 54.840 -0.054 0.000 0.810 186 L CB 1.893 43.894 42.059 -0.095 0.000 1.240 186 L HN 0.173 nan 8.230 nan 0.000 0.427 187 G N 0.396 109.177 108.800 -0.030 0.000 2.410 187 G HA2 0.632 4.234 3.960 -0.597 0.000 0.330 187 G HA3 0.632 4.234 3.960 -0.597 0.000 0.330 187 G C -0.394 174.487 174.900 -0.033 0.000 1.142 187 G CA -0.278 44.806 45.100 -0.026 0.000 0.902 187 G HN 0.552 nan 8.290 nan 0.000 0.491 188 T N -2.312 112.205 114.554 -0.062 0.000 2.950 188 T HA 0.730 4.721 4.350 -0.597 0.000 0.288 188 T C -0.652 173.977 174.700 -0.118 0.000 1.035 188 T CA -0.764 61.278 62.100 -0.097 0.000 1.028 188 T CB 1.925 70.696 68.868 -0.161 0.000 1.109 188 T HN 0.513 nan 8.240 nan 0.000 0.514 189 V N 1.412 121.260 119.914 -0.110 0.000 2.760 189 V HA 0.444 4.206 4.120 -0.597 0.000 0.309 189 V C -0.621 175.382 176.094 -0.152 0.000 1.077 189 V CA -1.144 61.109 62.300 -0.078 0.000 0.910 189 V CB 1.622 33.495 31.823 0.083 0.000 1.008 189 V HN 0.937 nan 8.190 nan 0.000 0.424 190 F N 2.282 122.183 119.950 -0.081 0.000 2.563 190 F HA 0.279 4.447 4.527 -0.598 0.000 0.363 190 F C 0.525 176.322 175.800 -0.005 0.000 1.123 190 F CA 0.134 58.055 58.000 -0.131 0.000 1.307 190 F CB 0.815 39.694 39.000 -0.201 0.000 1.115 190 F HN 0.166 nan 8.300 nan 0.000 0.592 191 V N 4.963 125.015 119.914 0.230 0.000 2.328 191 V HA 0.266 4.027 4.120 -0.597 0.000 0.278 191 V C -2.063 174.168 176.094 0.228 0.000 1.021 191 V CA -2.005 60.424 62.300 0.215 0.000 0.838 191 V CB 1.023 32.984 31.823 0.230 0.000 0.999 191 V HN 0.517 nan 8.190 nan 0.000 0.447 192 P HA 0.190 nan 4.420 nan 0.000 0.271 192 P C -0.465 176.937 177.300 0.169 0.000 1.233 192 P CA -0.130 63.039 63.100 0.115 0.000 0.789 192 P CB 0.617 32.296 31.700 -0.035 0.000 0.951 193 N N -0.402 118.412 118.700 0.190 0.000 2.494 193 N HA 0.170 4.552 4.740 -0.597 0.000 0.270 193 N C 0.195 175.754 175.510 0.082 0.000 1.285 193 N CA -0.456 52.691 53.050 0.162 0.000 0.812 193 N CB 2.051 40.617 38.487 0.131 0.000 1.557 193 N HN 0.098 nan 8.380 nan 0.000 0.487 194 V N -0.185 119.812 119.914 0.138 0.000 3.608 194 V HA 0.271 4.033 4.120 -0.597 0.000 0.269 194 V C 0.627 176.702 176.094 -0.031 0.000 1.245 194 V CA 0.313 62.657 62.300 0.072 0.000 1.138 194 V CB -1.113 30.785 31.823 0.125 0.000 0.841 194 V HN 0.559 nan 8.190 nan 0.000 0.451 195 Y N 2.549 122.728 120.300 -0.201 0.000 2.442 195 Y HA 0.265 4.460 4.550 -0.592 0.000 0.330 195 Y C 0.678 176.327 175.900 -0.418 0.000 1.129 195 Y CA -0.475 57.450 58.100 -0.291 0.000 1.365 195 Y CB 0.355 38.626 38.460 -0.316 0.000 1.233 195 Y HN 0.276 nan 8.280 nan 0.000 0.529 196 D N 5.331 125.530 120.400 -0.336 0.000 2.363 196 D HA -0.073 4.209 4.640 -0.597 0.000 0.263 196 D C 0.379 176.716 176.300 0.062 0.000 1.258 196 D CA 0.380 54.302 54.000 -0.130 0.000 0.907 196 D CB 0.313 41.040 40.800 -0.123 0.000 1.107 196 D HN 0.603 nan 8.370 nan 0.000 0.495 197 F N 2.258 122.307 119.950 0.165 0.000 2.325 197 F HA 0.067 4.234 4.527 -0.600 0.000 0.299 197 F C 2.496 178.268 175.800 -0.047 0.000 1.090 197 F CA 0.687 58.751 58.000 0.106 0.000 1.392 197 F CB -0.325 38.720 39.000 0.074 0.000 1.053 197 F HN 0.517 nan 8.300 nan 0.000 0.521 198 G N -1.119 107.761 108.800 0.133 0.000 2.418 198 G HA2 -0.343 3.259 3.960 -0.597 0.000 0.217 198 G HA3 -0.343 3.259 3.960 -0.597 0.000 0.217 198 G C 1.635 176.523 174.900 -0.022 0.000 1.158 198 G CA 0.757 45.860 45.100 0.005 0.000 0.771 198 G HN 0.389 nan 8.290 nan 0.000 0.545 199 Y N 0.541 120.811 120.300 -0.049 0.000 2.128 199 Y HA -0.130 4.060 4.550 -0.599 0.000 0.284 199 Y C 2.849 178.736 175.900 -0.022 0.000 1.154 199 Y CA 2.215 60.285 58.100 -0.050 0.000 1.149 199 Y CB -0.136 38.275 38.460 -0.082 0.000 0.976 199 Y HN 0.195 nan 8.280 nan 0.000 0.505 200 M N -0.106 119.617 119.600 0.206 0.000 2.108 200 M HA -0.319 3.803 4.480 -0.597 0.000 0.261 200 M C 2.362 178.514 176.300 -0.247 0.000 1.066 200 M CA 2.234 57.598 55.300 0.106 0.000 1.107 200 M CB -0.245 32.505 32.600 0.250 0.000 1.356 200 M HN 0.455 nan 8.290 nan 0.000 0.406 201 Q N -0.222 119.258 119.800 -0.534 0.000 2.224 201 Q HA -0.166 3.815 4.340 -0.597 0.000 0.203 201 Q C 1.898 177.702 176.000 -0.328 0.000 0.970 201 Q CA 1.294 56.613 55.803 -0.807 0.000 0.865 201 Q CB 0.092 28.188 28.738 -1.069 0.000 0.922 201 Q HN 0.511 nan 8.270 nan 0.000 0.445 202 R N 0.276 120.593 120.500 -0.304 0.000 2.075 202 R HA -0.150 3.832 4.340 -0.597 0.000 0.232 202 R C 2.269 178.411 176.300 -0.263 0.000 1.126 202 R CA 1.577 57.514 56.100 -0.271 0.000 0.963 202 R CB -0.139 29.949 30.300 -0.353 0.000 0.858 202 R HN 0.495 nan 8.270 nan 0.000 0.435 203 E N 0.611 120.613 120.200 -0.331 0.000 2.268 203 E HA -0.110 3.882 4.350 -0.597 0.000 0.195 203 E C 1.713 178.217 176.600 -0.161 0.000 0.995 203 E CA 1.063 57.303 56.400 -0.266 0.000 0.836 203 E CB -0.040 29.506 29.700 -0.255 0.000 0.763 203 E HN 0.275 nan 8.360 nan 0.000 0.491 204 A N 1.512 124.286 122.820 -0.077 0.000 1.968 204 A HA 0.152 4.114 4.320 -0.597 0.000 0.217 204 A C 2.365 180.039 177.584 0.151 0.000 1.169 204 A CA 1.183 53.281 52.037 0.102 0.000 0.638 204 A CB -0.427 18.821 19.000 0.413 0.000 0.812 204 A HN 0.407 nan 8.150 nan 0.000 0.446 205 A N -1.533 121.331 122.820 0.072 0.000 2.238 205 A HA 0.405 4.367 4.320 -0.597 0.000 0.208 205 A C 1.740 179.330 177.584 0.011 0.000 1.177 205 A CA 1.128 53.197 52.037 0.053 0.000 0.804 205 A CB -1.010 18.004 19.000 0.022 0.000 0.823 205 A HN 1.828 nan 8.150 nan 0.000 0.482 206 G N -0.618 108.174 108.800 -0.015 0.000 2.160 206 G HA2 -0.285 3.316 3.960 -0.597 0.000 0.251 206 G HA3 -0.285 3.316 3.960 -0.597 0.000 0.251 206 G C 0.447 175.312 174.900 -0.058 0.000 1.008 206 G CA 0.721 45.804 45.100 -0.028 0.000 0.724 206 G HN 0.621 nan 8.290 nan 0.000 0.514 207 E N -1.228 118.914 120.200 -0.097 0.000 2.364 207 E HA 0.344 4.336 4.350 -0.597 0.000 0.196 207 E C 1.102 177.613 176.600 -0.147 0.000 0.990 207 E CA 0.942 57.277 56.400 -0.109 0.000 0.886 207 E CB 0.673 30.305 29.700 -0.114 0.000 0.866 207 E HN 0.964 nan 8.360 nan 0.000 0.493 208 V N -2.355 117.429 119.914 -0.217 0.000 3.159 208 V HA 0.496 4.257 4.120 -0.597 0.000 0.308 208 V C -2.993 172.969 176.094 -0.221 0.000 1.190 208 V CA -3.143 59.002 62.300 -0.257 0.000 1.037 208 V CB 1.560 33.076 31.823 -0.511 0.000 1.060 208 V HN -0.236 nan 8.190 nan 0.000 0.437 209 P HA 0.238 nan 4.420 nan 0.000 0.264 209 P C -0.652 176.593 177.300 -0.092 0.000 1.193 209 P CA 0.164 63.137 63.100 -0.211 0.000 0.763 209 P CB 0.231 31.633 31.700 -0.496 0.000 0.810 210 K N 1.460 121.858 120.400 -0.003 0.000 2.237 210 K HA 0.323 4.285 4.320 -0.597 0.000 0.270 210 K C 0.839 177.562 176.600 0.206 0.000 1.015 210 K CA -0.116 56.209 56.287 0.063 0.000 0.949 210 K CB 0.872 33.359 32.500 -0.021 0.000 0.976 210 K HN 0.359 nan 8.250 nan 0.000 0.472 211 S N 0.827 116.672 115.700 0.242 0.000 4.098 211 S HA 0.102 4.214 4.470 -0.597 0.000 0.193 211 S C 1.641 176.317 174.600 0.127 0.000 1.049 211 S CA 0.469 58.824 58.200 0.258 0.000 1.034 211 S CB -0.468 62.952 63.200 0.366 0.000 1.380 211 S HN 0.611 nan 8.310 nan 0.000 0.629 212 A N 1.810 124.701 122.820 0.119 0.000 1.948 212 A HA 0.098 4.059 4.320 -0.597 0.000 0.220 212 A C 1.660 179.135 177.584 -0.182 0.000 1.177 212 A CA 1.512 53.453 52.037 -0.160 0.000 0.636 212 A CB -0.888 17.776 19.000 -0.560 0.000 0.815 212 A HN 0.584 nan 8.150 nan 0.000 0.449 213 L N -1.589 119.478 121.223 -0.261 0.000 2.629 213 L HA 0.277 4.259 4.340 -0.597 0.000 0.230 213 L C 1.201 177.908 176.870 -0.271 0.000 1.151 213 L CA 0.418 54.892 54.840 -0.609 0.000 0.924 213 L CB -0.054 41.285 42.059 -1.199 0.000 1.137 213 L HN 0.379 nan 8.230 nan 0.000 0.457 214 A N -0.802 121.985 122.820 -0.055 0.000 2.674 214 A HA 0.344 4.306 4.320 -0.597 0.000 0.286 214 A C 0.793 178.412 177.584 0.058 0.000 0.980 214 A CA -0.187 51.879 52.037 0.049 0.000 1.028 214 A CB -0.032 19.010 19.000 0.070 0.000 1.199 214 A HN 0.247 nan 8.150 nan 0.000 0.499 215 T N 0.422 114.997 114.554 0.036 0.000 3.970 215 T HA -0.157 3.834 4.350 -0.597 0.000 0.361 215 T C -0.299 174.400 174.700 -0.003 0.000 0.758 215 T CA 1.716 63.822 62.100 0.011 0.000 1.940 215 T CB -1.854 67.030 68.868 0.026 0.000 1.821 215 T HN 0.776 nan 8.240 nan 0.000 0.818 216 E N -0.906 119.289 120.200 -0.009 0.000 2.187 216 E HA 0.679 4.671 4.350 -0.597 0.000 0.268 216 E C 0.401 176.957 176.600 -0.073 0.000 0.896 216 E CA -0.653 55.735 56.400 -0.021 0.000 0.766 216 E CB 2.690 32.414 29.700 0.041 0.000 1.142 216 E HN 0.115 nan 8.360 nan 0.000 0.408 217 V N 3.286 123.110 119.914 -0.149 0.000 4.496 217 V HA -0.055 3.707 4.120 -0.597 0.000 0.146 217 V C 0.851 176.792 176.094 -0.256 0.000 1.365 217 V CA 0.488 62.690 62.300 -0.163 0.000 1.001 217 V CB -0.260 31.493 31.823 -0.116 0.000 1.083 217 V HN 0.701 nan 8.190 nan 0.000 0.624 218 I N -0.741 119.613 120.570 -0.359 0.000 2.830 218 I HA 0.023 3.834 4.170 -0.597 0.000 0.263 218 I C 1.553 177.446 176.117 -0.373 0.000 1.230 218 I CA 1.655 62.708 61.300 -0.411 0.000 1.480 218 I CB -0.400 37.296 38.000 -0.507 0.000 1.095 218 I HN 0.464 nan 8.210 nan 0.000 0.455 219 Y N 2.471 122.660 120.300 -0.184 0.000 2.658 219 Y HA 0.658 4.850 4.550 -0.596 0.000 0.276 219 Y C 1.105 176.706 175.900 -0.498 0.000 1.167 219 Y CA -0.855 57.108 58.100 -0.228 0.000 1.230 219 Y CB -0.318 38.087 38.460 -0.092 0.000 1.144 219 Y HN 0.308 nan 8.280 nan 0.000 0.529 220 G N 0.737 109.187 108.800 -0.582 0.000 2.629 220 G HA2 -0.164 3.438 3.960 -0.597 0.000 0.686 220 G HA3 -0.164 3.438 3.960 -0.597 0.000 0.686 220 G C -1.218 173.296 174.900 -0.643 0.000 1.232 220 G CA -1.248 43.114 45.100 -1.230 0.000 0.803 220 G HN 0.276 nan 8.290 nan 0.000 0.638 221 N N 0.645 119.032 118.700 -0.521 0.000 2.407 221 N HA 0.413 4.795 4.740 -0.597 0.000 0.277 221 N C 1.020 176.579 175.510 0.081 0.000 0.995 221 N CA -1.014 51.980 53.050 -0.094 0.000 0.903 221 N CB 1.264 39.755 38.487 0.007 0.000 1.218 221 N HN 0.468 nan 8.380 nan 0.000 0.487 222 N N 1.038 119.799 118.700 0.101 0.000 2.459 222 N HA -0.054 4.327 4.740 -0.597 0.000 0.181 222 N C -0.460 174.663 175.510 -0.645 0.000 1.046 222 N CA 1.107 54.071 53.050 -0.143 0.000 0.904 222 N CB 0.075 38.446 38.487 -0.194 0.000 0.964 222 N HN 0.602 nan 8.380 nan 0.000 0.444 223 H N -2.921 116.142 119.070 -0.012 0.000 3.008 223 H HA 0.352 4.549 4.556 -0.598 0.000 0.354 223 H C 1.020 176.063 175.328 -0.476 0.000 1.252 223 H CA 0.063 55.968 56.048 -0.238 0.000 1.117 223 H CB 1.685 31.341 29.762 -0.177 0.000 1.857 223 H HN 0.072 nan 8.280 nan 0.000 0.547 224 G N 1.054 109.359 108.800 -0.825 0.000 2.550 224 G HA2 -0.311 3.291 3.960 -0.597 0.000 0.233 224 G HA3 -0.311 3.291 3.960 -0.597 0.000 0.233 224 G C 0.529 174.673 174.900 -1.260 0.000 1.170 224 G CA 0.676 44.981 45.100 -1.325 0.000 0.693 224 G HN 0.567 nan 8.290 nan 0.000 0.512 225 K N 1.423 121.333 120.400 -0.817 0.000 2.312 225 K HA 0.383 4.345 4.320 -0.597 0.000 0.287 225 K C 0.143 176.586 176.600 -0.262 0.000 1.062 225 K CA -0.291 55.755 56.287 -0.401 0.000 0.934 225 K CB 0.386 32.846 32.500 -0.067 0.000 1.027 225 K HN 0.103 nan 8.250 nan 0.000 0.478 226 Q N 2.837 122.516 119.800 -0.201 0.000 3.026 226 Q HA 0.038 4.020 4.340 -0.597 0.000 0.258 226 Q C -0.283 175.657 176.000 -0.100 0.000 1.388 226 Q CA 0.017 55.739 55.803 -0.136 0.000 1.000 226 Q CB 0.098 28.773 28.738 -0.104 0.000 1.634 226 Q HN 0.698 nan 8.270 nan 0.000 0.571 227 S N -0.835 114.800 115.700 -0.109 0.000 2.617 227 S HA 0.217 4.329 4.470 -0.597 0.000 0.259 227 S C 1.442 175.967 174.600 -0.124 0.000 1.301 227 S CA -0.629 57.494 58.200 -0.127 0.000 0.984 227 S CB 0.815 63.947 63.200 -0.112 0.000 0.954 227 S HN 0.549 nan 8.310 nan 0.000 0.572 228 L N 0.838 121.945 121.223 -0.193 0.000 2.201 228 L HA -0.093 3.889 4.340 -0.597 0.000 0.212 228 L C 2.235 179.058 176.870 -0.078 0.000 1.105 228 L CA 1.249 55.991 54.840 -0.164 0.000 0.775 228 L CB -0.829 41.031 42.059 -0.331 0.000 0.913 228 L HN 0.806 nan 8.230 nan 0.000 0.440 229 D N 0.091 120.453 120.400 -0.064 0.000 2.221 229 D HA -0.256 4.026 4.640 -0.597 0.000 0.204 229 D C 1.906 178.189 176.300 -0.028 0.000 0.982 229 D CA 1.304 55.289 54.000 -0.025 0.000 0.857 229 D CB -0.125 40.684 40.800 0.015 0.000 0.934 229 D HN 0.176 nan 8.370 nan 0.000 0.475 230 K N -0.557 119.818 120.400 -0.042 0.000 2.314 230 K HA 0.041 4.003 4.320 -0.597 0.000 0.198 230 K C 1.813 178.380 176.600 -0.056 0.000 1.045 230 K CA 1.151 57.408 56.287 -0.050 0.000 0.988 230 K CB 0.369 32.828 32.500 -0.068 0.000 0.783 230 K HN 0.409 nan 8.250 nan 0.000 0.484 231 T N -2.853 111.672 114.554 -0.047 0.000 3.274 231 T HA 0.041 4.033 4.350 -0.597 0.000 0.186 231 T C 1.560 176.220 174.700 -0.068 0.000 0.799 231 T CA -0.076 61.983 62.100 -0.069 0.000 1.611 231 T CB -0.854 67.988 68.868 -0.043 0.000 2.155 231 T HN -0.032 nan 8.240 nan 0.000 0.427 232 Y N 1.851 122.104 120.300 -0.077 0.000 2.128 232 Y HA 0.113 4.305 4.550 -0.598 0.000 0.284 232 Y C 2.573 178.425 175.900 -0.080 0.000 1.154 232 Y CA 1.392 59.447 58.100 -0.075 0.000 1.149 232 Y CB -0.619 37.791 38.460 -0.084 0.000 0.976 232 Y HN 0.189 nan 8.280 nan 0.000 0.505 233 L N -1.217 120.048 121.223 0.069 0.000 2.093 233 L HA -0.185 3.797 4.340 -0.597 0.000 0.208 233 L C 2.682 179.546 176.870 -0.011 0.000 1.085 233 L CA 0.902 55.747 54.840 0.007 0.000 0.755 233 L CB -0.879 41.167 42.059 -0.021 0.000 0.904 233 L HN 0.198 nan 8.230 nan 0.000 0.435 234 A N 0.352 123.159 122.820 -0.020 0.000 1.883 234 A HA -0.223 3.739 4.320 -0.597 0.000 0.217 234 A C 2.543 180.105 177.584 -0.037 0.000 1.186 234 A CA 1.965 53.983 52.037 -0.031 0.000 0.624 234 A CB -0.756 18.221 19.000 -0.039 0.000 0.822 234 A HN 0.400 nan 8.150 nan 0.000 0.444 235 A N -0.323 122.469 122.820 -0.046 0.000 1.930 235 A HA 0.191 4.153 4.320 -0.597 0.000 0.217 235 A C 2.506 180.068 177.584 -0.036 0.000 1.175 235 A CA 2.031 54.036 52.037 -0.054 0.000 0.627 235 A CB -0.998 17.948 19.000 -0.092 0.000 0.815 235 A HN 1.066 nan 8.150 nan 0.000 0.443 236 A N -0.073 122.734 122.820 -0.021 0.000 1.877 236 A HA -0.077 3.885 4.320 -0.597 0.000 0.216 236 A C 2.153 179.718 177.584 -0.033 0.000 1.186 236 A CA 1.546 53.569 52.037 -0.024 0.000 0.620 236 A CB -0.676 18.312 19.000 -0.020 0.000 0.822 236 A HN 0.474 nan 8.150 nan 0.000 0.443 237 L N -0.607 120.598 121.223 -0.031 0.000 2.079 237 L HA -0.144 3.838 4.340 -0.597 0.000 0.210 237 L C 2.716 179.568 176.870 -0.030 0.000 1.081 237 L CA 1.008 55.829 54.840 -0.032 0.000 0.752 237 L CB -0.721 41.320 42.059 -0.030 0.000 0.896 237 L HN 0.503 nan 8.230 nan 0.000 0.433 238 G N -0.597 108.184 108.800 -0.031 0.000 2.498 238 G HA2 -0.242 3.360 3.960 -0.597 0.000 0.219 238 G HA3 -0.242 3.360 3.960 -0.597 0.000 0.219 238 G C 1.649 176.532 174.900 -0.029 0.000 1.119 238 G CA 1.111 46.193 45.100 -0.030 0.000 0.766 238 G HN 0.477 nan 8.290 nan 0.000 0.552 239 T N -2.563 111.972 114.554 -0.031 0.000 2.995 239 T HA 0.268 4.260 4.350 -0.597 0.000 0.269 239 T C 2.116 176.801 174.700 -0.025 0.000 1.091 239 T CA 1.089 63.171 62.100 -0.029 0.000 1.128 239 T CB -0.224 68.624 68.868 -0.033 0.000 0.891 239 T HN 1.302 nan 8.240 nan 0.000 0.492 240 G N 1.253 110.038 108.800 -0.025 0.000 2.179 240 G HA2 -0.234 3.367 3.960 -0.597 0.000 0.260 240 G HA3 -0.234 3.367 3.960 -0.597 0.000 0.260 240 G C 0.759 175.646 174.900 -0.022 0.000 0.977 240 G CA 0.388 45.475 45.100 -0.022 0.000 0.641 240 G HN 0.527 nan 8.290 nan 0.000 0.533 241 K N -0.345 120.039 120.400 -0.027 0.000 2.413 241 K HA 0.459 4.421 4.320 -0.597 0.000 0.204 241 K C 0.130 176.707 176.600 -0.037 0.000 1.041 241 K CA 0.229 56.500 56.287 -0.028 0.000 1.082 241 K CB 1.648 34.131 32.500 -0.027 0.000 0.871 241 K HN 0.324 nan 8.250 nan 0.000 0.535 242 V N 1.560 121.450 119.914 -0.040 0.000 2.638 242 V HA 0.363 4.125 4.120 -0.597 0.000 0.306 242 V C -0.098 175.969 176.094 -0.046 0.000 1.052 242 V CA -0.846 61.425 62.300 -0.048 0.000 0.885 242 V CB 1.926 33.717 31.823 -0.053 0.000 0.999 242 V HN 0.269 nan 8.190 nan 0.000 0.424 243 T N 2.083 116.606 114.554 -0.052 0.000 2.907 243 T HA 0.843 4.835 4.350 -0.597 0.000 0.292 243 T C -0.880 173.781 174.700 -0.064 0.000 1.043 243 T CA -0.684 61.383 62.100 -0.054 0.000 1.003 243 T CB 1.975 70.810 68.868 -0.055 0.000 1.084 243 T HN 0.378 nan 8.240 nan 0.000 0.483 244 I N 1.628 122.158 120.570 -0.066 0.000 2.447 244 I HA 0.340 4.152 4.170 -0.597 0.000 0.287 244 I C -0.357 175.701 176.117 -0.097 0.000 1.023 244 I CA -0.799 60.458 61.300 -0.072 0.000 1.083 244 I CB 2.124 40.094 38.000 -0.049 0.000 1.245 244 I HN 0.596 nan 8.210 nan 0.000 0.434 245 Q N 4.795 124.504 119.800 -0.152 0.000 2.325 245 Q HA 0.404 4.386 4.340 -0.597 0.000 0.262 245 Q C -0.196 175.720 176.000 -0.141 0.000 0.968 245 Q CA -0.664 54.983 55.803 -0.260 0.000 0.877 245 Q CB 2.264 30.643 28.738 -0.598 0.000 1.253 245 Q HN 0.732 nan 8.270 nan 0.000 0.448 246 T N -1.168 113.390 114.554 0.005 0.000 2.927 246 T HA 0.490 4.482 4.350 -0.597 0.000 0.281 246 T C 0.593 175.438 174.700 0.242 0.000 0.998 246 T CA -0.760 61.397 62.100 0.095 0.000 1.019 246 T CB 0.551 69.436 68.868 0.028 0.000 1.061 246 T HN 0.716 nan 8.240 nan 0.000 0.518 247 L N -0.173 121.154 121.223 0.174 0.000 3.839 247 L HA -0.167 3.815 4.340 -0.597 0.000 0.416 247 L C -0.748 176.187 176.870 0.108 0.000 1.195 247 L CA 0.486 55.416 54.840 0.149 0.000 0.946 247 L CB -2.243 39.855 42.059 0.067 0.000 1.891 247 L HN 0.794 nan 8.230 nan 0.000 0.963 248 H N -0.154 118.944 119.070 0.047 0.000 2.708 248 H HA 0.493 4.691 4.556 -0.597 0.000 0.320 248 H C -0.034 175.317 175.328 0.039 0.000 0.991 248 H CA -0.238 55.830 56.048 0.033 0.000 1.243 248 H CB 1.396 31.168 29.762 0.017 0.000 1.446 248 H HN 0.193 nan 8.280 nan 0.000 0.502 249 Q N 3.708 123.568 119.800 0.100 0.000 2.333 249 Q HA 0.408 4.390 4.340 -0.597 0.000 0.265 249 Q C -0.995 175.038 176.000 0.055 0.000 0.989 249 Q CA -0.968 54.881 55.803 0.077 0.000 0.842 249 Q CB 1.227 30.009 28.738 0.074 0.000 1.262 249 Q HN 0.434 nan 8.270 nan 0.000 0.451 250 V N 5.320 125.262 119.914 0.047 0.000 2.572 250 V HA 0.036 3.798 4.120 -0.597 0.000 0.291 250 V C 0.744 176.847 176.094 0.014 0.000 1.039 250 V CA 0.116 62.434 62.300 0.030 0.000 1.055 250 V CB 1.022 32.856 31.823 0.019 0.000 0.969 250 V HN 0.818 nan 8.190 nan 0.000 0.482 251 K N 2.255 122.661 120.400 0.011 0.000 2.306 251 K HA 0.180 4.142 4.320 -0.597 0.000 0.200 251 K C 0.801 177.396 176.600 -0.009 0.000 1.083 251 K CA 0.838 57.129 56.287 0.005 0.000 0.959 251 K CB 0.539 33.045 32.500 0.010 0.000 0.994 251 K HN 0.847 nan 8.250 nan 0.000 0.492 252 T N -1.298 113.250 114.554 -0.011 0.000 2.903 252 T HA 0.737 4.729 4.350 -0.597 0.000 0.299 252 T C -0.446 174.240 174.700 -0.024 0.000 1.093 252 T CA -0.812 61.273 62.100 -0.025 0.000 1.002 252 T CB 1.786 70.643 68.868 -0.018 0.000 1.127 252 T HN -0.061 nan 8.240 nan 0.000 0.488 253 I N 2.071 122.615 120.570 -0.043 0.000 2.533 253 I HA 0.626 4.438 4.170 -0.597 0.000 0.290 253 I C -0.131 175.971 176.117 -0.025 0.000 1.056 253 I CA -1.096 60.183 61.300 -0.035 0.000 1.057 253 I CB 2.200 40.145 38.000 -0.092 0.000 1.240 253 I HN 0.836 nan 8.210 nan 0.000 0.423 254 R N 3.743 124.258 120.500 0.024 0.000 2.808 254 R HA 0.616 4.598 4.340 -0.597 0.000 0.272 254 R C -1.216 175.115 176.300 0.052 0.000 0.995 254 R CA -1.022 55.087 56.100 0.016 0.000 0.917 254 R CB 1.763 32.063 30.300 0.000 0.000 1.217 254 R HN 0.496 nan 8.270 nan 0.000 0.471 255 Q N 1.773 121.566 119.800 -0.012 0.000 2.294 255 Q HA 0.189 4.171 4.340 -0.597 0.000 0.257 255 Q C -0.557 175.355 176.000 -0.146 0.000 0.955 255 Q CA -0.285 55.424 55.803 -0.157 0.000 0.936 255 Q CB 1.386 30.107 28.738 -0.028 0.000 1.188 255 Q HN 0.724 nan 8.270 nan 0.000 0.420 256 T N 0.916 115.337 114.554 -0.222 0.000 2.828 256 T HA 0.227 4.219 4.350 -0.597 0.000 0.290 256 T C 0.761 175.390 174.700 -0.119 0.000 1.019 256 T CA -0.532 61.489 62.100 -0.133 0.000 1.031 256 T CB 0.854 69.648 68.868 -0.123 0.000 1.001 256 T HN 0.746 nan 8.240 nan 0.000 0.531 257 K N 0.553 120.905 120.400 -0.079 0.000 2.281 257 K HA -0.107 3.855 4.320 -0.597 0.000 0.203 257 K C 1.424 177.980 176.600 -0.074 0.000 1.046 257 K CA 1.554 57.802 56.287 -0.063 0.000 0.938 257 K CB -0.098 32.374 32.500 -0.048 0.000 0.737 257 K HN 0.788 nan 8.250 nan 0.000 0.458 258 D N -1.264 119.081 120.400 -0.092 0.000 2.368 258 D HA 0.043 4.325 4.640 -0.597 0.000 0.218 258 D C 0.924 177.151 176.300 -0.122 0.000 1.112 258 D CA 0.584 54.528 54.000 -0.094 0.000 0.834 258 D CB 0.611 41.358 40.800 -0.090 0.000 0.953 258 D HN 0.238 nan 8.370 nan 0.000 0.505 259 G N -0.151 108.549 108.800 -0.167 0.000 2.175 259 G HA2 -0.195 3.407 3.960 -0.597 0.000 0.244 259 G HA3 -0.195 3.407 3.960 -0.597 0.000 0.244 259 G C 0.677 175.353 174.900 -0.373 0.000 0.982 259 G CA 0.022 44.990 45.100 -0.221 0.000 0.641 259 G HN 0.752 nan 8.290 nan 0.000 0.527 260 G N -1.005 107.587 108.800 -0.347 0.000 2.494 260 G HA2 0.587 4.189 3.960 -0.597 0.000 0.270 260 G HA3 0.587 4.189 3.960 -0.597 0.000 0.270 260 G C -0.527 173.933 174.900 -0.733 0.000 1.423 260 G CA -0.649 44.211 45.100 -0.400 0.000 1.055 260 G HN 0.379 nan 8.290 nan 0.000 0.536 261 Y N -1.401 118.887 120.300 -0.020 0.000 2.499 261 Y HA 0.620 4.812 4.550 -0.597 0.000 0.347 261 Y C 0.351 176.247 175.900 -0.006 0.000 0.987 261 Y CA -0.637 57.442 58.100 -0.035 0.000 1.044 261 Y CB 2.482 40.902 38.460 -0.066 0.000 1.245 261 Y HN 0.686 nan 8.280 nan 0.000 0.461 262 A N 3.333 126.222 122.820 0.114 0.000 2.356 262 A HA 0.843 4.805 4.320 -0.597 0.000 0.310 262 A C -1.993 175.630 177.584 0.065 0.000 1.075 262 A CA -0.642 51.440 52.037 0.074 0.000 0.746 262 A CB 0.851 19.873 19.000 0.036 0.000 1.221 262 A HN 0.512 nan 8.150 nan 0.000 0.443 263 L N 2.188 123.445 121.223 0.055 0.000 2.346 263 L HA 0.612 4.594 4.340 -0.597 0.000 0.276 263 L C 0.658 177.549 176.870 0.034 0.000 1.006 263 L CA -0.262 54.601 54.840 0.038 0.000 0.817 263 L CB 1.114 43.197 42.059 0.040 0.000 1.272 263 L HN 0.852 nan 8.230 nan 0.000 0.421 264 T N 0.019 114.587 114.554 0.023 0.000 2.806 264 T HA 0.716 4.708 4.350 -0.597 0.000 0.290 264 T C -0.153 174.562 174.700 0.026 0.000 0.966 264 T CA -0.619 61.495 62.100 0.022 0.000 1.060 264 T CB 1.244 70.120 68.868 0.013 0.000 0.927 264 T HN 0.247 nan 8.240 nan 0.000 0.485 265 V N 3.253 123.187 119.914 0.033 0.000 2.525 265 V HA 0.416 4.178 4.120 -0.597 0.000 0.299 265 V C -0.204 175.893 176.094 0.006 0.000 1.034 265 V CA -0.925 61.402 62.300 0.046 0.000 0.863 265 V CB 1.692 33.578 31.823 0.105 0.000 0.999 265 V HN 0.961 nan 8.190 nan 0.000 0.423 266 E N 3.109 123.297 120.200 -0.021 0.000 2.197 266 E HA 0.393 4.385 4.350 -0.597 0.000 0.281 266 E C -0.637 175.861 176.600 -0.170 0.000 0.995 266 E CA -0.419 55.937 56.400 -0.072 0.000 0.808 266 E CB 2.090 31.761 29.700 -0.048 0.000 1.093 266 E HN 0.656 nan 8.360 nan 0.000 0.394 267 Q N 3.513 123.154 119.800 -0.264 0.000 2.290 267 Q HA 0.262 4.243 4.340 -0.597 0.000 0.259 267 Q C -1.049 174.829 176.000 -0.204 0.000 0.941 267 Q CA -0.382 55.170 55.803 -0.418 0.000 0.912 267 Q CB 0.837 29.247 28.738 -0.546 0.000 1.244 267 Q HN 0.348 nan 8.270 nan 0.000 0.441 268 K N 2.031 122.343 120.400 -0.147 0.000 2.350 268 K HA 0.292 4.254 4.320 -0.597 0.000 0.241 268 K C -0.935 175.627 176.600 -0.063 0.000 0.994 268 K CA -0.906 55.327 56.287 -0.090 0.000 0.839 268 K CB 1.196 33.647 32.500 -0.082 0.000 1.244 268 K HN 0.731 nan 8.250 nan 0.000 0.443 269 D N -1.184 119.186 120.400 -0.049 0.000 2.466 269 D HA 0.001 4.283 4.640 -0.597 0.000 0.262 269 D C 0.895 177.174 176.300 -0.037 0.000 1.177 269 D CA -0.425 53.553 54.000 -0.037 0.000 1.035 269 D CB 0.305 41.090 40.800 -0.024 0.000 1.105 269 D HN 0.567 nan 8.370 nan 0.000 0.551 270 T N -3.700 110.811 114.554 -0.071 0.000 3.072 270 T HA -0.077 3.915 4.350 -0.597 0.000 0.266 270 T C 0.578 175.210 174.700 -0.113 0.000 1.127 270 T CA 0.595 62.574 62.100 -0.202 0.000 1.107 270 T CB -0.282 68.405 68.868 -0.301 0.000 0.910 270 T HN 0.321 nan 8.240 nan 0.000 0.513 271 D N 1.205 121.635 120.400 0.050 0.000 2.340 271 D HA 0.222 4.504 4.640 -0.597 0.000 0.220 271 D C 1.727 178.156 176.300 0.215 0.000 1.039 271 D CA 0.771 54.857 54.000 0.143 0.000 0.866 271 D CB -0.033 40.822 40.800 0.091 0.000 0.913 271 D HN 0.622 nan 8.370 nan 0.000 0.523 272 G N 1.049 109.921 108.800 0.120 0.000 2.157 272 G HA2 -0.296 3.306 3.960 -0.597 0.000 0.248 272 G HA3 -0.296 3.306 3.960 -0.597 0.000 0.248 272 G C 0.531 175.344 174.900 -0.145 0.000 0.979 272 G CA 0.380 45.380 45.100 -0.166 0.000 0.650 272 G HN 0.339 nan 8.290 nan 0.000 0.529 273 K N -0.063 120.299 120.400 -0.064 0.000 2.350 273 K HA 0.570 4.532 4.320 -0.597 0.000 0.279 273 K C 0.546 177.104 176.600 -0.071 0.000 1.027 273 K CA -0.327 55.924 56.287 -0.061 0.000 0.969 273 K CB 0.946 33.426 32.500 -0.033 0.000 0.954 273 K HN 1.067 nan 8.250 nan 0.000 0.474 274 L N 5.943 127.124 121.223 -0.071 0.000 2.418 274 L HA 0.255 4.237 4.340 -0.597 0.000 0.274 274 L C 0.847 177.682 176.870 -0.058 0.000 1.135 274 L CA 0.560 55.358 54.840 -0.070 0.000 0.870 274 L CB 0.157 42.178 42.059 -0.063 0.000 1.154 274 L HN 0.837 nan 8.230 nan 0.000 0.462 275 L N 4.905 126.087 121.223 -0.067 0.000 2.316 275 L HA 0.507 4.489 4.340 -0.597 0.000 0.207 275 L C 0.683 177.522 176.870 -0.052 0.000 1.070 275 L CA 0.479 55.285 54.840 -0.056 0.000 0.820 275 L CB -0.244 41.778 42.059 -0.062 0.000 0.992 275 L HN 0.774 nan 8.230 nan 0.000 0.466 276 A N -0.820 121.959 122.820 -0.068 0.000 2.608 276 A HA 0.653 4.615 4.320 -0.597 0.000 0.292 276 A C -0.955 176.594 177.584 -0.058 0.000 1.066 276 A CA -0.388 51.618 52.037 -0.051 0.000 0.676 276 A CB 1.214 20.189 19.000 -0.042 0.000 1.277 276 A HN -0.080 nan 8.150 nan 0.000 0.413 277 T N 1.654 116.189 114.554 -0.032 0.000 2.829 277 T HA 0.606 4.598 4.350 -0.597 0.000 0.280 277 T C -0.546 174.154 174.700 -0.000 0.000 0.999 277 T CA -0.456 61.631 62.100 -0.021 0.000 0.983 277 T CB 1.243 70.103 68.868 -0.014 0.000 0.968 277 T HN 0.562 nan 8.240 nan 0.000 0.446 278 K N 1.764 122.173 120.400 0.015 0.000 2.316 278 K HA 0.514 4.476 4.320 -0.597 0.000 0.251 278 K C -0.709 175.915 176.600 0.040 0.000 0.934 278 K CA -0.866 55.444 56.287 0.039 0.000 0.802 278 K CB 2.516 35.062 32.500 0.077 0.000 1.171 278 K HN 0.501 nan 8.250 nan 0.000 0.426 279 E N 2.714 122.937 120.200 0.040 0.000 2.156 279 E HA 0.375 4.367 4.350 -0.597 0.000 0.279 279 E C -1.239 175.392 176.600 0.052 0.000 0.965 279 E CA -0.424 56.001 56.400 0.042 0.000 0.789 279 E CB 0.829 30.550 29.700 0.035 0.000 1.098 279 E HN 0.382 nan 8.360 nan 0.000 0.397 280 I N 3.032 123.635 120.570 0.055 0.000 2.498 280 I HA 0.347 4.159 4.170 -0.597 0.000 0.290 280 I C -0.649 175.509 176.117 0.068 0.000 1.032 280 I CA -0.651 60.682 61.300 0.056 0.000 1.073 280 I CB 2.173 40.200 38.000 0.045 0.000 1.251 280 I HN 0.413 nan 8.210 nan 0.000 0.426 281 S N 4.344 120.100 115.700 0.093 0.000 2.568 281 S HA 0.797 4.909 4.470 -0.597 0.000 0.302 281 S C -0.695 173.996 174.600 0.152 0.000 1.082 281 S CA -0.661 57.624 58.200 0.142 0.000 1.009 281 S CB 2.041 65.347 63.200 0.176 0.000 1.069 281 S HN 0.831 nan 8.310 nan 0.000 0.500 282 C N 0.872 120.279 119.300 0.178 0.000 3.318 282 C HA 0.672 4.773 4.460 -0.597 0.000 0.322 282 C C 1.040 176.148 174.990 0.196 0.000 1.398 282 C CA -0.839 58.243 59.018 0.108 0.000 1.339 282 C CB 1.317 29.095 27.740 0.063 0.000 1.668 282 C HN 1.059 nan 8.230 nan 0.000 0.462 283 R N -0.581 119.990 120.500 0.119 0.000 2.075 283 R HA 0.231 4.213 4.340 -0.597 0.000 0.220 283 R C -0.449 175.735 176.300 -0.193 0.000 1.118 283 R CA 0.893 56.918 56.100 -0.124 0.000 0.986 283 R CB 0.027 30.109 30.300 -0.363 0.000 0.884 283 R HN 0.768 nan 8.270 nan 0.000 0.439 284 Y N 0.625 121.074 120.300 0.249 0.000 2.335 284 Y HA 0.416 4.607 4.550 -0.597 0.000 0.338 284 Y C -0.762 175.254 175.900 0.194 0.000 0.977 284 Y CA -1.229 57.019 58.100 0.248 0.000 1.114 284 Y CB 1.770 40.464 38.460 0.389 0.000 1.182 284 Y HN -0.027 nan 8.280 nan 0.000 0.463 285 L N 4.824 126.099 121.223 0.086 0.000 2.349 285 L HA 0.647 4.629 4.340 -0.597 0.000 0.278 285 L C -1.907 174.879 176.870 -0.140 0.000 0.996 285 L CA -0.931 53.897 54.840 -0.019 0.000 0.825 285 L CB 0.436 42.329 42.059 -0.276 0.000 1.243 285 L HN 0.440 nan 8.230 nan 0.000 0.412 286 F N 5.642 125.645 119.950 0.088 0.000 2.449 286 F HA 0.531 4.700 4.527 -0.597 0.000 0.342 286 F C -0.375 175.433 175.800 0.013 0.000 1.127 286 F CA -0.665 57.395 58.000 0.099 0.000 0.975 286 F CB 1.516 40.562 39.000 0.078 0.000 1.146 286 F HN 0.207 nan 8.300 nan 0.000 0.444 287 L N 3.502 124.801 121.223 0.127 0.000 2.262 287 L HA 0.542 4.524 4.340 -0.597 0.000 0.288 287 L C 0.691 177.601 176.870 0.067 0.000 1.035 287 L CA -0.404 54.468 54.840 0.052 0.000 0.820 287 L CB 1.031 43.077 42.059 -0.022 0.000 1.204 287 L HN 0.909 nan 8.230 nan 0.000 0.424 288 G N 1.636 110.468 108.800 0.052 0.000 4.331 288 G HA2 0.375 3.977 3.960 -0.597 0.000 0.299 288 G HA3 0.375 3.977 3.960 -0.597 0.000 0.299 288 G C 0.780 175.689 174.900 0.015 0.000 1.158 288 G CA 0.307 45.428 45.100 0.035 0.000 0.916 288 G HN 0.723 nan 8.290 nan 0.000 0.553 289 A N -0.037 122.787 122.820 0.007 0.000 2.278 289 A HA 0.608 4.570 4.320 -0.597 0.000 0.212 289 A C 1.470 179.055 177.584 0.000 0.000 1.213 289 A CA 0.874 52.907 52.037 -0.008 0.000 0.840 289 A CB -0.486 18.500 19.000 -0.022 0.000 0.866 289 A HN 1.834 nan 8.150 nan 0.000 0.489 290 G N -1.408 107.407 108.800 0.025 0.000 2.707 290 G HA2 -0.043 3.559 3.960 -0.597 0.000 0.686 290 G HA3 -0.043 3.559 3.960 -0.597 0.000 0.686 290 G C 0.753 175.686 174.900 0.054 0.000 1.315 290 G CA 0.223 45.358 45.100 0.058 0.000 0.832 290 G HN 0.996 nan 8.290 nan 0.000 0.573 291 S N -0.889 114.881 115.700 0.115 0.000 2.372 291 S HA -0.152 3.960 4.470 -0.597 0.000 0.227 291 S C 2.549 177.171 174.600 0.037 0.000 1.044 291 S CA 2.380 60.675 58.200 0.159 0.000 1.050 291 S CB -0.399 63.000 63.200 0.332 0.000 0.901 291 S HN 0.738 nan 8.310 nan 0.000 0.447 292 L N 0.264 121.520 121.223 0.054 0.000 2.005 292 L HA 0.055 4.037 4.340 -0.597 0.000 0.207 292 L C 2.975 179.738 176.870 -0.177 0.000 1.072 292 L CA 1.415 56.201 54.840 -0.090 0.000 0.744 292 L CB -1.301 40.817 42.059 0.098 0.000 0.895 292 L HN 0.508 nan 8.230 nan 0.000 0.433 293 G N -1.097 107.657 108.800 -0.076 0.000 2.403 293 G HA2 -0.246 3.356 3.960 -0.597 0.000 0.216 293 G HA3 -0.246 3.356 3.960 -0.597 0.000 0.216 293 G C 1.842 176.687 174.900 -0.093 0.000 1.154 293 G CA 0.930 45.985 45.100 -0.074 0.000 0.784 293 G HN 0.368 nan 8.290 nan 0.000 0.538 294 S N 0.825 116.475 115.700 -0.083 0.000 2.371 294 S HA -0.150 3.962 4.470 -0.597 0.000 0.224 294 S C 2.663 177.189 174.600 -0.123 0.000 1.029 294 S CA 2.294 60.447 58.200 -0.079 0.000 0.978 294 S CB -0.768 62.409 63.200 -0.039 0.000 0.833 294 S HN 0.523 nan 8.310 nan 0.000 0.466 295 T N -0.427 114.011 114.554 -0.193 0.000 2.821 295 T HA -0.064 3.928 4.350 -0.597 0.000 0.267 295 T C 1.771 176.313 174.700 -0.263 0.000 1.046 295 T CA 1.545 63.493 62.100 -0.253 0.000 1.139 295 T CB -0.742 67.843 68.868 -0.472 0.000 0.871 295 T HN 0.642 nan 8.240 nan 0.000 0.454 296 E N 0.986 121.012 120.200 -0.291 0.000 2.058 296 E HA -0.115 3.877 4.350 -0.597 0.000 0.194 296 E C 2.201 178.736 176.600 -0.110 0.000 0.997 296 E CA 1.097 57.400 56.400 -0.161 0.000 0.801 296 E CB -0.410 29.233 29.700 -0.094 0.000 0.746 296 E HN 0.566 nan 8.360 nan 0.000 0.450 297 L N 0.401 121.558 121.223 -0.109 0.000 2.042 297 L HA -0.215 3.767 4.340 -0.597 0.000 0.210 297 L C 2.543 179.335 176.870 -0.130 0.000 1.076 297 L CA 1.025 55.803 54.840 -0.104 0.000 0.749 297 L CB -0.284 41.720 42.059 -0.091 0.000 0.893 297 L HN 0.285 nan 8.230 nan 0.000 0.432 298 L N -0.842 120.305 121.223 -0.128 0.000 2.131 298 L HA -0.118 3.864 4.340 -0.597 0.000 0.206 298 L C 2.590 179.389 176.870 -0.118 0.000 1.087 298 L CA 0.836 55.602 54.840 -0.123 0.000 0.767 298 L CB -0.541 41.459 42.059 -0.099 0.000 0.917 298 L HN 0.237 nan 8.230 nan 0.000 0.441 299 V N -1.933 117.917 119.914 -0.107 0.000 2.427 299 V HA -0.234 3.528 4.120 -0.597 0.000 0.248 299 V C 2.582 178.508 176.094 -0.279 0.000 1.051 299 V CA 1.653 63.897 62.300 -0.095 0.000 1.048 299 V CB -0.868 30.965 31.823 0.016 0.000 0.666 299 V HN 0.441 nan 8.190 nan 0.000 0.456 300 R N 1.130 121.417 120.500 -0.354 0.000 2.073 300 R HA -0.086 3.895 4.340 -0.597 0.000 0.234 300 R C 2.358 178.387 176.300 -0.452 0.000 1.134 300 R CA 1.858 57.556 56.100 -0.669 0.000 0.952 300 R CB -0.716 29.369 30.300 -0.358 0.000 0.850 300 R HN 0.557 nan 8.270 nan 0.000 0.433 301 A N 1.265 123.933 122.820 -0.254 0.000 1.902 301 A HA -0.199 3.762 4.320 -0.597 0.000 0.217 301 A C 2.249 179.748 177.584 -0.142 0.000 1.181 301 A CA 1.532 53.464 52.037 -0.176 0.000 0.623 301 A CB -0.622 18.285 19.000 -0.155 0.000 0.818 301 A HN 0.446 nan 8.150 nan 0.000 0.443 302 R N -0.451 119.973 120.500 -0.128 0.000 2.070 302 R HA -0.148 3.834 4.340 -0.597 0.000 0.233 302 R C 0.992 177.252 176.300 -0.067 0.000 1.137 302 R CA 1.870 57.934 56.100 -0.060 0.000 0.945 302 R CB -0.268 30.016 30.300 -0.028 0.000 0.845 302 R HN 0.420 nan 8.270 nan 0.000 0.430 303 D N -0.748 119.568 120.400 -0.140 0.000 2.347 303 D HA -0.056 4.225 4.640 -0.597 0.000 0.213 303 D C 1.337 177.612 176.300 -0.043 0.000 0.985 303 D CA 1.332 55.295 54.000 -0.061 0.000 0.879 303 D CB 0.432 41.252 40.800 0.033 0.000 0.919 303 D HN 0.435 nan 8.370 nan 0.000 0.526 304 T N -3.579 110.891 114.554 -0.140 0.000 3.069 304 T HA 0.371 4.363 4.350 -0.597 0.000 0.252 304 T C 1.563 176.251 174.700 -0.020 0.000 1.053 304 T CA 0.445 62.521 62.100 -0.041 0.000 0.964 304 T CB 0.581 69.409 68.868 -0.067 0.000 1.005 304 T HN 0.127 nan 8.240 nan 0.000 0.532 305 G N 1.471 110.257 108.800 -0.023 0.000 2.143 305 G HA2 -0.331 3.271 3.960 -0.597 0.000 0.249 305 G HA3 -0.331 3.271 3.960 -0.597 0.000 0.249 305 G C 0.924 175.825 174.900 0.002 0.000 0.981 305 G CA 0.915 46.016 45.100 0.002 0.000 0.665 305 G HN 0.961 nan 8.290 nan 0.000 0.528 306 T N -2.009 112.532 114.554 -0.022 0.000 3.054 306 T HA 0.469 4.460 4.350 -0.597 0.000 0.259 306 T C 1.105 175.795 174.700 -0.018 0.000 1.092 306 T CA 0.910 62.998 62.100 -0.019 0.000 1.121 306 T CB 0.192 69.038 68.868 -0.037 0.000 0.912 306 T HN 0.536 nan 8.240 nan 0.000 0.489 307 L N 2.210 123.416 121.223 -0.028 0.000 2.529 307 L HA 0.375 4.357 4.340 -0.597 0.000 0.246 307 L C -1.988 174.968 176.870 0.144 0.000 1.394 307 L CA -1.972 52.862 54.840 -0.010 0.000 0.906 307 L CB 1.919 43.817 42.059 -0.269 0.000 1.170 307 L HN -0.049 nan 8.230 nan 0.000 0.501 308 P HA -0.060 nan 4.420 nan 0.000 0.226 308 P C 0.505 177.878 177.300 0.122 0.000 1.153 308 P CA 0.978 64.145 63.100 0.113 0.000 0.777 308 P CB 0.328 32.075 31.700 0.079 0.000 0.794 309 N N -0.576 118.247 118.700 0.205 0.000 2.280 309 N HA 0.116 4.498 4.740 -0.597 0.000 0.192 309 N C 0.683 176.260 175.510 0.112 0.000 1.109 309 N CA -0.084 52.998 53.050 0.052 0.000 0.855 309 N CB -0.208 38.165 38.487 -0.189 0.000 0.974 309 N HN 0.223 nan 8.380 nan 0.000 0.482 310 L N 1.949 123.320 121.223 0.248 0.000 2.529 310 L HA -0.070 3.911 4.340 -0.597 0.000 0.287 310 L C 1.014 177.933 176.870 0.082 0.000 1.241 310 L CA -0.110 54.833 54.840 0.173 0.000 0.857 310 L CB 0.042 42.172 42.059 0.117 0.000 1.113 310 L HN 0.235 nan 8.230 nan 0.000 0.504 311 N N 0.097 118.835 118.700 0.063 0.000 2.405 311 N HA 0.066 4.448 4.740 -0.597 0.000 0.269 311 N C 0.677 176.214 175.510 0.044 0.000 1.249 311 N CA -0.169 52.907 53.050 0.043 0.000 0.974 311 N CB 0.650 39.157 38.487 0.033 0.000 1.204 311 N HN 0.538 nan 8.380 nan 0.000 0.565 312 S N -1.678 114.046 115.700 0.039 0.000 2.481 312 S HA -0.036 4.075 4.470 -0.597 0.000 0.231 312 S C 0.867 175.498 174.600 0.051 0.000 0.996 312 S CA 0.330 58.556 58.200 0.043 0.000 0.942 312 S CB -0.333 62.890 63.200 0.037 0.000 0.768 312 S HN 0.574 nan 8.310 nan 0.000 0.520 313 E N 1.359 121.587 120.200 0.048 0.000 2.358 313 E HA 0.156 4.148 4.350 -0.597 0.000 0.195 313 E C 0.257 176.896 176.600 0.067 0.000 1.010 313 E CA 0.048 56.481 56.400 0.055 0.000 0.856 313 E CB -0.272 29.455 29.700 0.044 0.000 0.795 313 E HN 0.392 nan 8.360 nan 0.000 0.504 314 V N 1.115 121.065 119.914 0.059 0.000 2.540 314 V HA 0.214 3.976 4.120 -0.597 0.000 0.297 314 V C 1.543 177.689 176.094 0.087 0.000 1.024 314 V CA 1.283 63.617 62.300 0.057 0.000 1.105 314 V CB 0.458 32.300 31.823 0.033 0.000 0.938 314 V HN 0.523 nan 8.190 nan 0.000 0.482 315 G N 3.729 112.602 108.800 0.122 0.000 2.254 315 G HA2 -0.098 3.504 3.960 -0.597 0.000 0.225 315 G HA3 -0.098 3.504 3.960 -0.597 0.000 0.225 315 G C 0.393 175.461 174.900 0.279 0.000 1.003 315 G CA 0.196 45.428 45.100 0.220 0.000 0.622 315 G HN 1.389 nan 8.290 nan 0.000 0.507 316 A N -0.251 122.685 122.820 0.194 0.000 2.252 316 A HA 0.809 4.771 4.320 -0.597 0.000 0.305 316 A C 1.863 179.570 177.584 0.205 0.000 1.097 316 A CA 1.134 53.276 52.037 0.174 0.000 0.849 316 A CB 0.446 19.515 19.000 0.115 0.000 1.142 316 A HN 2.296 nan 8.150 nan 0.000 0.499 317 G N -1.934 106.978 108.800 0.187 0.000 2.160 317 G HA2 -0.234 3.368 3.960 -0.597 0.000 0.244 317 G HA3 -0.234 3.368 3.960 -0.597 0.000 0.244 317 G C -0.107 174.914 174.900 0.201 0.000 1.022 317 G CA 0.516 45.712 45.100 0.161 0.000 0.741 317 G HN 1.325 nan 8.290 nan 0.000 0.508 318 W N 0.752 122.104 121.300 0.086 0.000 2.261 318 W HA 0.587 4.888 4.660 -0.598 0.000 0.323 318 W C 0.550 177.075 176.519 0.010 0.000 1.243 318 W CA 0.598 57.978 57.345 0.058 0.000 1.210 318 W CB 1.270 30.724 29.460 -0.010 0.000 1.149 318 W HN 0.624 nan 8.180 nan 0.000 0.562 319 G N 4.915 113.120 108.800 -0.990 0.000 2.690 319 G HA2 0.444 4.046 3.960 -0.597 0.000 0.291 319 G HA3 0.444 4.046 3.960 -0.597 0.000 0.291 319 G C -2.806 171.086 174.900 -1.679 0.000 1.403 319 G CA -1.233 43.199 45.100 -1.115 0.000 0.864 319 G HN 0.272 nan 8.290 nan 0.000 0.480 320 P HA 0.119 nan 4.420 nan 0.000 0.249 320 P C 0.342 177.390 177.300 -0.420 0.000 1.583 320 P CA -0.409 62.161 63.100 -0.884 0.000 0.988 320 P CB 0.030 31.299 31.700 -0.718 0.000 1.530 321 N N 1.128 119.644 118.700 -0.307 0.000 2.708 321 N HA -0.208 4.174 4.740 -0.597 0.000 0.249 321 N C 0.966 176.474 175.510 -0.003 0.000 1.097 321 N CA 1.390 54.399 53.050 -0.068 0.000 0.710 321 N CB -1.941 36.596 38.487 0.083 0.000 1.032 321 N HN 0.398 nan 8.380 nan 0.000 0.551 322 G N -0.981 107.787 108.800 -0.053 0.000 2.203 322 G HA2 -0.381 3.220 3.960 -0.597 0.000 0.263 322 G HA3 -0.381 3.220 3.960 -0.597 0.000 0.263 322 G C -0.001 174.893 174.900 -0.009 0.000 1.012 322 G CA 0.440 45.555 45.100 0.024 0.000 0.749 322 G HN 0.784 nan 8.290 nan 0.000 0.512 323 N N 0.111 118.717 118.700 -0.157 0.000 2.468 323 N HA 0.414 4.795 4.740 -0.597 0.000 0.265 323 N C -0.100 175.278 175.510 -0.219 0.000 1.199 323 N CA -0.021 52.883 53.050 -0.244 0.000 0.928 323 N CB 0.510 38.616 38.487 -0.635 0.000 1.059 323 N HN 0.123 nan 8.380 nan 0.000 0.467 324 I N 2.566 123.168 120.570 0.054 0.000 2.656 324 I HA 0.265 4.077 4.170 -0.597 0.000 0.292 324 I C -0.442 175.849 176.117 0.291 0.000 1.144 324 I CA -0.514 60.907 61.300 0.203 0.000 1.038 324 I CB 1.869 39.992 38.000 0.206 0.000 1.244 324 I HN 0.475 nan 8.210 nan 0.000 0.420 325 M N 4.336 124.072 119.600 0.227 0.000 2.404 325 M HA 0.646 4.768 4.480 -0.597 0.000 0.338 325 M C -0.362 175.924 176.300 -0.023 0.000 1.150 325 M CA 0.342 55.642 55.300 0.000 0.000 1.016 325 M CB 1.728 34.111 32.600 -0.362 0.000 1.672 325 M HN 0.728 nan 8.290 nan 0.000 0.448 326 T N 2.388 116.944 114.554 0.003 0.000 2.792 326 T HA 0.934 4.926 4.350 -0.597 0.000 0.303 326 T C -2.220 172.437 174.700 -0.072 0.000 1.310 326 T CA -0.314 61.683 62.100 -0.171 0.000 1.007 326 T CB 1.262 69.760 68.868 -0.616 0.000 1.335 326 T HN 0.957 nan 8.240 nan 0.000 0.504 327 A N 1.949 124.696 122.820 -0.122 0.000 2.549 327 A HA 0.872 4.834 4.320 -0.597 0.000 0.297 327 A C -1.147 176.450 177.584 0.022 0.000 1.061 327 A CA -0.760 51.249 52.037 -0.047 0.000 0.690 327 A CB 1.596 20.520 19.000 -0.127 0.000 1.287 327 A HN 0.785 nan 8.150 nan 0.000 0.402 328 R N 0.395 120.936 120.500 0.068 0.000 2.711 328 R HA 0.698 4.680 4.340 -0.597 0.000 0.284 328 R C -0.317 175.972 176.300 -0.018 0.000 0.968 328 R CA -0.566 55.547 56.100 0.022 0.000 0.924 328 R CB 2.289 32.637 30.300 0.080 0.000 1.162 328 R HN 0.895 nan 8.270 nan 0.000 0.465 329 A N 3.093 125.881 122.820 -0.054 0.000 2.269 329 A HA 0.244 4.206 4.320 -0.597 0.000 0.302 329 A C -0.290 177.216 177.584 -0.129 0.000 1.266 329 A CA -0.625 51.382 52.037 -0.051 0.000 0.894 329 A CB 0.146 19.122 19.000 -0.040 0.000 1.147 329 A HN 0.667 nan 8.150 nan 0.000 0.537 330 N N 1.545 120.193 118.700 -0.086 0.000 2.467 330 N HA 0.111 4.493 4.740 -0.597 0.000 0.262 330 N C -0.183 175.134 175.510 -0.321 0.000 1.234 330 N CA -0.189 52.748 53.050 -0.189 0.000 0.952 330 N CB 0.371 38.851 38.487 -0.011 0.000 1.158 330 N HN 0.655 nan 8.380 nan 0.000 0.463 331 H N 1.286 120.097 119.070 -0.433 0.000 2.913 331 H HA -0.003 4.195 4.556 -0.597 0.000 0.365 331 H C 1.456 176.322 175.328 -0.769 0.000 1.155 331 H CA 0.386 55.926 56.048 -0.848 0.000 1.417 331 H CB 0.739 29.433 29.762 -1.782 0.000 1.386 331 H HN 0.436 nan 8.280 nan 0.000 0.614 332 M N 0.781 120.003 119.600 -0.630 0.000 2.460 332 M HA -0.122 4.000 4.480 -0.597 0.000 0.263 332 M C 1.202 177.540 176.300 0.063 0.000 1.071 332 M CA 1.236 56.257 55.300 -0.465 0.000 1.096 332 M CB -0.324 32.053 32.600 -0.372 0.000 1.408 332 M HN 0.707 nan 8.290 nan 0.000 0.463 333 W N -0.185 121.203 121.300 0.148 0.000 3.388 333 W HA 0.238 4.550 4.660 -0.580 0.000 0.324 333 W C -0.225 176.409 176.519 0.191 0.000 1.250 333 W CA -0.403 57.033 57.345 0.152 0.000 1.809 333 W CB -0.664 28.836 29.460 0.068 0.000 1.083 333 W HN -0.017 nan 8.180 nan 0.000 0.685 334 N N 2.692 121.394 118.700 0.003 0.000 2.757 334 N HA 0.189 4.571 4.740 -0.597 0.000 0.296 334 N C -2.816 172.780 175.510 0.144 0.000 1.874 334 N CA -1.487 51.608 53.050 0.074 0.000 0.885 334 N CB 0.495 38.964 38.487 -0.030 0.000 1.242 334 N HN 0.002 nan 8.380 nan 0.000 0.488 335 P HA 0.062 nan 4.420 nan 0.000 0.269 335 P C 0.832 177.970 177.300 -0.271 0.000 1.209 335 P CA 0.062 62.947 63.100 -0.359 0.000 0.776 335 P CB 0.994 32.451 31.700 -0.406 0.000 0.876 336 T N -1.537 112.799 114.554 -0.364 0.000 3.081 336 T HA 0.382 4.373 4.350 -0.597 0.000 0.250 336 T C 0.853 175.417 174.700 -0.227 0.000 1.100 336 T CA 0.302 62.279 62.100 -0.206 0.000 1.038 336 T CB -0.712 68.063 68.868 -0.155 0.000 0.962 336 T HN 0.849 nan 8.240 nan 0.000 0.516 337 G N 0.241 108.822 108.800 -0.366 0.000 2.712 337 G HA2 0.280 3.882 3.960 -0.597 0.000 0.686 337 G HA3 0.280 3.882 3.960 -0.597 0.000 0.686 337 G C 0.479 175.107 174.900 -0.454 0.000 1.181 337 G CA -0.494 44.387 45.100 -0.365 0.000 0.762 337 G HN 0.731 nan 8.290 nan 0.000 0.641 338 A N 1.287 123.783 122.820 -0.540 0.000 2.119 338 A HA 0.286 4.248 4.320 -0.597 0.000 0.216 338 A C 0.903 178.007 177.584 -0.800 0.000 1.152 338 A CA 1.306 52.942 52.037 -0.669 0.000 0.708 338 A CB -0.088 18.457 19.000 -0.757 0.000 0.805 338 A HN 0.846 nan 8.150 nan 0.000 0.460 339 H N 0.715 119.514 119.070 -0.452 0.000 2.638 339 H HA 0.441 4.662 4.556 -0.558 0.000 0.303 339 H C -0.867 174.213 175.328 -0.412 0.000 1.034 339 H CA -0.149 55.506 56.048 -0.656 0.000 1.225 339 H CB 0.415 29.328 29.762 -1.416 0.000 1.394 339 H HN 0.469 nan 8.280 nan 0.000 0.477 340 Q N 1.664 121.459 119.800 -0.008 0.000 2.310 340 Q HA 0.229 4.211 4.340 -0.597 0.000 0.270 340 Q C -0.058 176.007 176.000 0.107 0.000 1.025 340 Q CA -0.677 55.100 55.803 -0.043 0.000 0.772 340 Q CB 2.959 31.413 28.738 -0.472 0.000 1.253 340 Q HN 0.475 nan 8.270 nan 0.000 0.450 341 S N 0.985 116.764 115.700 0.131 0.000 2.558 341 S HA -0.041 4.071 4.470 -0.597 0.000 0.293 341 S C 1.248 175.802 174.600 -0.077 0.000 1.292 341 S CA 0.312 58.496 58.200 -0.027 0.000 1.063 341 S CB 0.487 63.528 63.200 -0.266 0.000 0.831 341 S HN 0.750 nan 8.310 nan 0.000 0.499 342 S N 4.848 120.496 115.700 -0.085 0.000 2.515 342 S HA 0.094 4.205 4.470 -0.597 0.000 0.231 342 S C 0.646 175.236 174.600 -0.017 0.000 0.987 342 S CA 0.096 58.241 58.200 -0.092 0.000 0.936 342 S CB -0.236 62.905 63.200 -0.099 0.000 0.766 342 S HN 0.642 nan 8.310 nan 0.000 0.528 343 I N 3.697 124.294 120.570 0.045 0.000 2.301 343 I HA 0.428 4.240 4.170 -0.597 0.000 0.292 343 I C -2.643 173.734 176.117 0.434 0.000 1.046 343 I CA -2.946 58.444 61.300 0.149 0.000 1.282 343 I CB 0.409 38.399 38.000 -0.018 0.000 1.409 343 I HN -0.007 nan 8.210 nan 0.000 0.484 344 P HA 0.132 nan 4.420 nan 0.000 0.269 344 P C 0.134 177.729 177.300 0.491 0.000 1.209 344 P CA 0.007 63.414 63.100 0.512 0.000 0.776 344 P CB 1.084 32.996 31.700 0.353 0.000 0.876 345 A N 1.995 125.062 122.820 0.411 0.000 2.312 345 A HA 0.301 4.263 4.320 -0.597 0.000 0.215 345 A C -0.008 177.598 177.584 0.037 0.000 1.256 345 A CA 0.510 52.648 52.037 0.169 0.000 0.966 345 A CB 0.002 18.873 19.000 -0.216 0.000 1.053 345 A HN 0.449 nan 8.150 nan 0.000 0.510 346 L N -0.798 120.448 121.223 0.039 0.000 2.401 346 L HA 0.781 4.763 4.340 -0.597 0.000 0.266 346 L C -0.084 176.779 176.870 -0.011 0.000 0.991 346 L CA -0.150 54.631 54.840 -0.099 0.000 0.818 346 L CB 1.977 43.916 42.059 -0.200 0.000 1.321 346 L HN 0.157 nan 8.230 nan 0.000 0.413 347 G N 3.450 112.219 108.800 -0.052 0.000 2.533 347 G HA2 0.632 4.234 3.960 -0.597 0.000 0.304 347 G HA3 0.632 4.234 3.960 -0.597 0.000 0.304 347 G C -1.294 173.508 174.900 -0.163 0.000 1.263 347 G CA -0.609 44.372 45.100 -0.198 0.000 0.964 347 G HN 0.531 nan 8.290 nan 0.000 0.479 348 I N 1.435 121.871 120.570 -0.223 0.000 2.304 348 I HA 0.159 3.971 4.170 -0.597 0.000 0.291 348 I C -0.611 175.457 176.117 -0.082 0.000 1.018 348 I CA -0.491 60.739 61.300 -0.118 0.000 1.260 348 I CB 1.584 39.523 38.000 -0.102 0.000 1.390 348 I HN 0.261 nan 8.210 nan 0.000 0.475 349 D N 7.044 127.498 120.400 0.090 0.000 2.456 349 D HA 0.378 4.660 4.640 -0.597 0.000 0.219 349 D C 0.066 176.461 176.300 0.158 0.000 1.126 349 D CA -0.183 53.981 54.000 0.272 0.000 0.890 349 D CB 1.283 42.242 40.800 0.265 0.000 1.025 349 D HN 0.627 nan 8.370 nan 0.000 0.511 350 A N 5.314 128.234 122.820 0.166 0.000 2.855 350 A HA 0.146 4.107 4.320 -0.597 0.000 0.301 350 A C -0.512 177.131 177.584 0.099 0.000 1.076 350 A CA -0.793 51.287 52.037 0.070 0.000 1.004 350 A CB -0.056 18.923 19.000 -0.036 0.000 1.152 350 A HN 0.538 nan 8.150 nan 0.000 0.531 351 W N 2.351 123.660 121.300 0.014 0.000 2.294 351 W HA 0.407 4.708 4.660 -0.599 0.000 0.314 351 W C -0.999 175.490 176.519 -0.050 0.000 1.044 351 W CA -0.334 56.993 57.345 -0.029 0.000 1.284 351 W CB 1.435 30.875 29.460 -0.033 0.000 1.231 351 W HN 0.585 nan 8.180 nan 0.000 0.419 352 D N 2.975 123.254 120.400 -0.202 0.000 2.513 352 D HA 0.011 4.293 4.640 -0.597 0.000 0.222 352 D C 0.409 176.630 176.300 -0.131 0.000 1.210 352 D CA -0.149 53.804 54.000 -0.078 0.000 0.825 352 D CB -0.156 40.597 40.800 -0.078 0.000 1.037 352 D HN 0.359 nan 8.370 nan 0.000 0.506 353 N N -0.478 117.997 118.700 -0.375 0.000 2.965 353 N HA -0.175 4.207 4.740 -0.597 0.000 0.232 353 N C 0.122 175.490 175.510 -0.237 0.000 0.913 353 N CA 1.242 54.172 53.050 -0.201 0.000 0.981 353 N CB -1.861 36.727 38.487 0.168 0.000 1.077 353 N HN 0.572 nan 8.380 nan 0.000 0.589 354 S N -0.051 115.472 115.700 -0.296 0.000 2.655 354 S HA 0.334 4.446 4.470 -0.597 0.000 0.265 354 S C 0.882 175.304 174.600 -0.297 0.000 1.240 354 S CA -0.242 57.827 58.200 -0.220 0.000 0.986 354 S CB 1.242 64.342 63.200 -0.167 0.000 0.985 354 S HN 0.012 nan 8.310 nan 0.000 0.562 355 D N 0.744 121.031 120.400 -0.189 0.000 2.350 355 D HA -0.021 4.261 4.640 -0.597 0.000 0.216 355 D C 1.731 177.909 176.300 -0.203 0.000 0.968 355 D CA 1.349 55.244 54.000 -0.175 0.000 0.894 355 D CB -0.364 40.376 40.800 -0.101 0.000 0.909 355 D HN 0.657 nan 8.370 nan 0.000 0.520 356 S N -0.990 114.580 115.700 -0.216 0.000 2.575 356 S HA 0.105 4.217 4.470 -0.597 0.000 0.215 356 S C 0.882 175.320 174.600 -0.269 0.000 0.966 356 S CA -0.508 57.575 58.200 -0.195 0.000 0.911 356 S CB 0.133 63.246 63.200 -0.145 0.000 0.780 356 S HN -0.171 nan 8.310 nan 0.000 0.514 357 S N 1.571 116.989 115.700 -0.470 0.000 2.549 357 S HA 0.420 4.532 4.470 -0.597 0.000 0.286 357 S C -0.257 174.120 174.600 -0.371 0.000 1.314 357 S CA -0.273 57.522 58.200 -0.675 0.000 1.062 357 S CB 0.879 63.023 63.200 -1.760 0.000 0.865 357 S HN 0.363 nan 8.310 nan 0.000 0.498 358 V N 3.945 123.827 119.914 -0.053 0.000 2.733 358 V HA 0.468 4.230 4.120 -0.597 0.000 0.306 358 V C -1.139 175.195 176.094 0.399 0.000 1.084 358 V CA -0.793 61.622 62.300 0.190 0.000 0.905 358 V CB 1.775 33.629 31.823 0.052 0.000 1.010 358 V HN 0.793 nan 8.190 nan 0.000 0.424 359 F N 4.182 124.343 119.950 0.350 0.000 2.427 359 F HA 0.839 5.010 4.527 -0.593 0.000 0.348 359 F C 0.074 176.001 175.800 0.213 0.000 1.125 359 F CA -0.655 57.479 58.000 0.223 0.000 0.989 359 F CB 1.258 40.331 39.000 0.121 0.000 1.165 359 F HN 0.605 nan 8.300 nan 0.000 0.442 360 A N 5.823 128.382 122.820 -0.435 0.000 2.311 360 A HA 0.386 4.348 4.320 -0.597 0.000 0.306 360 A C -0.493 176.948 177.584 -0.239 0.000 1.189 360 A CA -0.711 51.256 52.037 -0.116 0.000 0.791 360 A CB 0.553 19.687 19.000 0.224 0.000 1.172 360 A HN 0.800 nan 8.150 nan 0.000 0.481 361 E N 3.074 123.217 120.200 -0.094 0.000 2.415 361 E HA 0.171 4.162 4.350 -0.597 0.000 0.263 361 E C -0.842 175.864 176.600 0.177 0.000 0.995 361 E CA -0.068 56.352 56.400 0.032 0.000 0.915 361 E CB 0.339 30.134 29.700 0.158 0.000 0.951 361 E HN 0.578 nan 8.360 nan 0.000 0.449 362 I N 4.328 125.008 120.570 0.182 0.000 2.308 362 I HA 0.162 3.974 4.170 -0.597 0.000 0.293 362 I C 0.237 176.516 176.117 0.271 0.000 1.078 362 I CA -0.234 61.190 61.300 0.206 0.000 1.292 362 I CB 0.773 38.891 38.000 0.197 0.000 1.423 362 I HN 0.468 nan 8.210 nan 0.000 0.493 363 A N 9.770 132.658 122.820 0.112 0.000 2.301 363 A HA 0.676 4.638 4.320 -0.597 0.000 0.298 363 A C -2.343 175.181 177.584 -0.101 0.000 1.185 363 A CA -1.504 50.575 52.037 0.070 0.000 0.830 363 A CB 0.167 19.167 19.000 -0.000 0.000 1.112 363 A HN 0.386 nan 8.150 nan 0.000 0.508 364 P HA 0.310 nan 4.420 nan 0.000 0.274 364 P C -0.683 176.318 177.300 -0.498 0.000 1.246 364 P CA -0.003 62.553 63.100 -0.907 0.000 0.795 364 P CB 0.715 31.883 31.700 -0.887 0.000 1.006 365 M N 2.036 121.316 119.600 -0.532 0.000 2.465 365 M HA 0.300 4.422 4.480 -0.597 0.000 0.316 365 M C -1.767 174.330 176.300 -0.339 0.000 1.121 365 M CA -1.955 53.120 55.300 -0.375 0.000 0.934 365 M CB 2.927 35.281 32.600 -0.411 0.000 1.692 365 M HN 0.195 nan 8.290 nan 0.000 0.444 366 P HA 0.131 nan 4.420 nan 0.000 0.255 366 P C 0.744 177.945 177.300 -0.164 0.000 1.248 366 P CA 0.408 63.406 63.100 -0.170 0.000 0.807 366 P CB 0.070 31.707 31.700 -0.106 0.000 1.150 367 A N 0.946 123.616 122.820 -0.250 0.000 1.978 367 A HA 0.123 4.084 4.320 -0.597 0.000 0.220 367 A C 2.018 179.467 177.584 -0.226 0.000 1.170 367 A CA 1.862 53.754 52.037 -0.241 0.000 0.636 367 A CB -1.646 17.028 19.000 -0.542 0.000 0.810 367 A HN 0.305 nan 8.150 nan 0.000 0.448 368 G N -2.112 106.521 108.800 -0.280 0.000 2.176 368 G HA2 -0.196 3.406 3.960 -0.597 0.000 0.253 368 G HA3 -0.196 3.406 3.960 -0.597 0.000 0.253 368 G C 0.154 174.874 174.900 -0.300 0.000 0.979 368 G CA 0.715 45.668 45.100 -0.244 0.000 0.641 368 G HN 1.615 nan 8.290 nan 0.000 0.530 369 L N -3.105 117.917 121.223 -0.336 0.000 2.359 369 L HA 1.004 4.986 4.340 -0.597 0.000 0.256 369 L C -0.165 176.444 176.870 -0.434 0.000 1.026 369 L CA -1.601 53.043 54.840 -0.327 0.000 0.828 369 L CB 1.297 43.239 42.059 -0.196 0.000 1.406 369 L HN -0.014 nan 8.230 nan 0.000 0.413 370 E N 0.410 120.342 120.200 -0.447 0.000 2.324 370 E HA 0.263 4.255 4.350 -0.597 0.000 0.271 370 E C 0.466 176.746 176.600 -0.534 0.000 1.028 370 E CA 0.735 56.744 56.400 -0.651 0.000 0.890 370 E CB 1.038 30.190 29.700 -0.914 0.000 1.004 370 E HN 0.777 nan 8.360 nan 0.000 0.431 371 T N 0.950 115.182 114.554 -0.536 0.000 2.975 371 T HA 0.058 4.050 4.350 -0.597 0.000 0.261 371 T C 0.430 175.191 174.700 0.102 0.000 0.984 371 T CA -0.083 61.880 62.100 -0.228 0.000 0.911 371 T CB -0.296 68.184 68.868 -0.646 0.000 1.127 371 T HN 0.643 nan 8.240 nan 0.000 0.514 372 W N 1.140 122.327 121.300 -0.188 0.000 3.904 372 W HA -0.223 4.165 4.660 -0.454 0.000 0.312 372 W C -0.692 175.732 176.519 -0.159 0.000 1.159 372 W CA 0.031 57.282 57.345 -0.157 0.000 0.704 372 W CB -2.134 27.248 29.460 -0.131 0.000 2.209 372 W HN 0.225 nan 8.180 nan 0.000 1.468 373 V N 1.075 120.951 119.914 -0.063 0.000 2.509 373 V HA 0.339 4.101 4.120 -0.597 0.000 0.284 373 V C 0.831 176.836 176.094 -0.148 0.000 1.047 373 V CA -0.038 62.208 62.300 -0.090 0.000 0.952 373 V CB 1.760 33.503 31.823 -0.133 0.000 0.988 373 V HN -0.016 nan 8.190 nan 0.000 0.469 374 S N 4.845 120.466 115.700 -0.131 0.000 2.437 374 S HA 0.659 4.770 4.470 -0.597 0.000 0.305 374 S C -0.627 173.706 174.600 -0.444 0.000 1.109 374 S CA -0.378 57.671 58.200 -0.253 0.000 1.099 374 S CB 1.256 64.362 63.200 -0.156 0.000 1.004 374 S HN 0.519 nan 8.310 nan 0.000 0.475 375 L N 4.068 124.949 121.223 -0.569 0.000 2.334 375 L HA 0.694 4.675 4.340 -0.597 0.000 0.276 375 L C -1.802 174.650 176.870 -0.697 0.000 1.014 375 L CA -0.406 54.157 54.840 -0.463 0.000 0.815 375 L CB 0.849 42.760 42.059 -0.246 0.000 1.268 375 L HN 0.634 nan 8.230 nan 0.000 0.428 376 Y N 4.261 124.515 120.300 -0.077 0.000 2.492 376 Y HA 0.571 4.770 4.550 -0.584 0.000 0.346 376 Y C -0.951 174.948 175.900 -0.001 0.000 0.997 376 Y CA -0.904 57.173 58.100 -0.038 0.000 1.025 376 Y CB 1.860 40.213 38.460 -0.177 0.000 1.263 376 Y HN 0.429 nan 8.280 nan 0.000 0.454 377 L N 3.248 124.604 121.223 0.222 0.000 2.301 377 L HA 0.835 4.817 4.340 -0.597 0.000 0.278 377 L C -0.345 176.674 176.870 0.249 0.000 1.022 377 L CA -0.631 54.333 54.840 0.206 0.000 0.854 377 L CB 0.113 42.291 42.059 0.197 0.000 1.226 377 L HN 0.712 nan 8.230 nan 0.000 0.429 378 A N 6.004 128.987 122.820 0.271 0.000 2.331 378 A HA 0.677 4.639 4.320 -0.597 0.000 0.283 378 A C -0.313 177.425 177.584 0.257 0.000 1.142 378 A CA -0.345 51.870 52.037 0.296 0.000 0.812 378 A CB 0.151 19.370 19.000 0.365 0.000 1.074 378 A HN 0.693 nan 8.150 nan 0.000 0.497 379 I N 2.570 123.323 120.570 0.305 0.000 2.362 379 I HA 0.413 4.225 4.170 -0.597 0.000 0.289 379 I C 0.547 176.920 176.117 0.427 0.000 0.994 379 I CA -0.159 61.338 61.300 0.327 0.000 1.158 379 I CB 2.018 40.232 38.000 0.357 0.000 1.315 379 I HN 0.833 nan 8.210 nan 0.000 0.451 380 T N 2.000 116.767 114.554 0.356 0.000 2.888 380 T HA 0.463 4.454 4.350 -0.597 0.000 0.288 380 T C -0.609 174.265 174.700 0.290 0.000 1.063 380 T CA -0.997 61.270 62.100 0.277 0.000 1.010 380 T CB 2.164 71.107 68.868 0.125 0.000 1.214 380 T HN 0.491 nan 8.240 nan 0.000 0.533 381 K N 1.582 122.008 120.400 0.044 0.000 2.414 381 K HA 0.347 4.309 4.320 -0.597 0.000 0.251 381 K C -1.022 175.604 176.600 0.043 0.000 1.037 381 K CA -0.561 55.761 56.287 0.059 0.000 0.980 381 K CB 0.131 32.502 32.500 -0.216 0.000 1.280 381 K HN 0.621 nan 8.250 nan 0.000 0.451 382 N N 4.999 123.759 118.700 0.100 0.000 2.448 382 N HA 0.264 4.645 4.740 -0.597 0.000 0.279 382 N C -1.865 173.708 175.510 0.105 0.000 1.025 382 N CA -2.077 51.026 53.050 0.087 0.000 0.898 382 N CB 1.708 40.263 38.487 0.113 0.000 1.303 382 N HN 0.336 nan 8.380 nan 0.000 0.495 383 P HA -0.046 nan 4.420 nan 0.000 0.233 383 P C -0.247 177.107 177.300 0.090 0.000 1.167 383 P CA 0.514 63.660 63.100 0.077 0.000 0.770 383 P CB 0.425 32.153 31.700 0.047 0.000 0.837 384 Q N 1.062 120.922 119.800 0.101 0.000 2.361 384 Q HA 0.110 4.092 4.340 -0.597 0.000 0.276 384 Q C 0.428 176.587 176.000 0.266 0.000 1.022 384 Q CA 0.786 56.646 55.803 0.094 0.000 0.898 384 Q CB 0.626 29.346 28.738 -0.030 0.000 1.246 384 Q HN 0.184 nan 8.270 nan 0.000 0.410 385 R N 0.190 120.835 120.500 0.242 0.000 2.795 385 R HA 0.677 4.659 4.340 -0.597 0.000 0.275 385 R C -0.143 176.394 176.300 0.395 0.000 0.981 385 R CA -0.679 55.640 56.100 0.365 0.000 0.917 385 R CB 1.816 32.237 30.300 0.201 0.000 1.202 385 R HN 0.749 nan 8.270 nan 0.000 0.469 386 G N -0.173 108.971 108.800 0.574 0.000 2.552 386 G HA2 0.598 4.200 3.960 -0.597 0.000 0.324 386 G HA3 0.598 4.200 3.960 -0.597 0.000 0.324 386 G C -1.005 173.993 174.900 0.164 0.000 1.217 386 G CA -0.209 45.125 45.100 0.389 0.000 0.989 386 G HN 0.309 nan 8.290 nan 0.000 0.490 387 T N 0.235 114.779 114.554 -0.016 0.000 2.886 387 T HA 0.424 4.416 4.350 -0.597 0.000 0.292 387 T C -1.103 173.476 174.700 -0.201 0.000 1.012 387 T CA -0.171 61.915 62.100 -0.022 0.000 0.982 387 T CB 1.226 70.118 68.868 0.040 0.000 1.018 387 T HN 0.248 nan 8.240 nan 0.000 0.451 388 F N 2.836 122.761 119.950 -0.041 0.000 2.421 388 F HA 0.489 4.657 4.527 -0.598 0.000 0.358 388 F C 0.702 176.502 175.800 -0.000 0.000 1.115 388 F CA -0.509 57.442 58.000 -0.081 0.000 1.160 388 F CB 0.712 39.657 39.000 -0.091 0.000 1.123 388 F HN 0.289 nan 8.300 nan 0.000 0.508 389 V N 4.178 124.185 119.914 0.155 0.000 3.019 389 V HA 0.561 4.323 4.120 -0.597 0.000 0.317 389 V C -1.651 174.566 176.094 0.204 0.000 1.094 389 V CA -0.932 61.462 62.300 0.157 0.000 1.000 389 V CB 1.977 33.856 31.823 0.094 0.000 1.060 389 V HN 0.555 nan 8.190 nan 0.000 0.443 390 Y N 2.497 122.834 120.300 0.061 0.000 2.320 390 Y HA 0.633 4.824 4.550 -0.597 0.000 0.334 390 Y C -0.339 175.589 175.900 0.046 0.000 1.055 390 Y CA -0.793 57.340 58.100 0.055 0.000 1.143 390 Y CB 1.405 39.890 38.460 0.042 0.000 1.193 390 Y HN 0.937 nan 8.280 nan 0.000 0.477 391 D N 4.765 124.877 120.400 -0.480 0.000 2.443 391 D HA 0.367 4.649 4.640 -0.597 0.000 0.221 391 D C 0.503 176.257 176.300 -0.910 0.000 1.097 391 D CA 0.135 53.842 54.000 -0.488 0.000 0.865 391 D CB 1.166 41.838 40.800 -0.213 0.000 1.034 391 D HN 0.723 nan 8.370 nan 0.000 0.511 392 A N 3.734 126.046 122.820 -0.846 0.000 2.015 392 A HA 0.049 4.011 4.320 -0.597 0.000 0.219 392 A C 2.102 179.538 177.584 -0.247 0.000 1.163 392 A CA 1.512 53.201 52.037 -0.581 0.000 0.646 392 A CB -0.450 18.458 19.000 -0.152 0.000 0.806 392 A HN 0.626 nan 8.150 nan 0.000 0.448 393 A N -0.211 122.494 122.820 -0.192 0.000 1.877 393 A HA -0.100 3.862 4.320 -0.597 0.000 0.216 393 A C 2.339 179.874 177.584 -0.080 0.000 1.186 393 A CA 2.401 54.380 52.037 -0.097 0.000 0.620 393 A CB -1.073 17.883 19.000 -0.073 0.000 0.822 393 A HN 0.798 nan 8.150 nan 0.000 0.443 394 T N -4.513 109.981 114.554 -0.101 0.000 3.086 394 T HA 0.236 4.227 4.350 -0.597 0.000 0.250 394 T C 0.427 175.108 174.700 -0.031 0.000 1.074 394 T CA 0.921 62.989 62.100 -0.053 0.000 0.988 394 T CB -0.013 68.833 68.868 -0.036 0.000 0.988 394 T HN 0.453 nan 8.240 nan 0.000 0.530 395 D N 1.032 121.390 120.400 -0.070 0.000 2.723 395 D HA -0.170 4.112 4.640 -0.597 0.000 0.236 395 D C -0.389 176.006 176.300 0.160 0.000 1.138 395 D CA 0.619 54.671 54.000 0.086 0.000 0.676 395 D CB -1.171 39.710 40.800 0.135 0.000 1.069 395 D HN 0.674 nan 8.370 nan 0.000 0.430 396 R N -0.518 120.026 120.500 0.073 0.000 2.744 396 R HA 0.790 4.772 4.340 -0.597 0.000 0.279 396 R C -0.577 175.843 176.300 0.201 0.000 0.977 396 R CA -0.552 55.637 56.100 0.148 0.000 0.906 396 R CB 1.781 32.141 30.300 0.101 0.000 1.197 396 R HN 0.100 nan 8.270 nan 0.000 0.463 397 A N 2.968 125.948 122.820 0.267 0.000 2.310 397 A HA 0.258 4.220 4.320 -0.597 0.000 0.300 397 A C -0.308 177.470 177.584 0.323 0.000 1.269 397 A CA -0.361 51.850 52.037 0.290 0.000 0.909 397 A CB 0.142 19.272 19.000 0.216 0.000 1.144 397 A HN 0.545 nan 8.150 nan 0.000 0.540 398 K N 1.865 122.403 120.400 0.229 0.000 2.234 398 K HA 0.314 4.276 4.320 -0.597 0.000 0.282 398 K C -0.816 175.743 176.600 -0.070 0.000 1.039 398 K CA -0.636 55.748 56.287 0.163 0.000 0.928 398 K CB 1.488 34.046 32.500 0.097 0.000 1.039 398 K HN 0.554 nan 8.250 nan 0.000 0.470 399 L N 3.995 124.941 121.223 -0.462 0.000 2.278 399 L HA 0.171 4.153 4.340 -0.597 0.000 0.287 399 L C -0.715 175.905 176.870 -0.417 0.000 1.072 399 L CA -0.160 54.121 54.840 -0.932 0.000 0.819 399 L CB 0.272 41.257 42.059 -1.790 0.000 1.176 399 L HN 0.414 nan 8.230 nan 0.000 0.435 400 N N 6.640 125.168 118.700 -0.286 0.000 2.807 400 N HA 0.113 4.495 4.740 -0.597 0.000 0.259 400 N C -1.391 174.110 175.510 -0.015 0.000 1.149 400 N CA 0.062 53.049 53.050 -0.106 0.000 1.042 400 N CB 0.051 38.497 38.487 -0.069 0.000 1.367 400 N HN 0.622 nan 8.380 nan 0.000 0.516 401 W N 2.224 123.406 121.300 -0.197 0.000 2.785 401 W HA 0.349 4.651 4.660 -0.597 0.000 0.333 401 W C -0.600 175.891 176.519 -0.048 0.000 1.062 401 W CA -0.624 56.663 57.345 -0.097 0.000 1.233 401 W CB 1.812 31.211 29.460 -0.101 0.000 1.413 401 W HN 0.210 nan 8.180 nan 0.000 0.489 402 T N 1.651 115.883 114.554 -0.536 0.000 2.940 402 T HA 0.325 4.316 4.350 -0.597 0.000 0.288 402 T C 0.950 175.412 174.700 -0.397 0.000 1.033 402 T CA -0.694 61.214 62.100 -0.320 0.000 1.033 402 T CB 2.560 71.281 68.868 -0.244 0.000 1.079 402 T HN 0.656 nan 8.240 nan 0.000 0.496 403 R N 0.831 121.290 120.500 -0.069 0.000 2.105 403 R HA -0.156 3.826 4.340 -0.597 0.000 0.239 403 R C 1.938 178.205 176.300 -0.055 0.000 1.135 403 R CA 2.317 58.440 56.100 0.037 0.000 0.967 403 R CB -0.508 29.836 30.300 0.074 0.000 0.861 403 R HN 0.905 nan 8.270 nan 0.000 0.442 404 D N -0.147 120.179 120.400 -0.124 0.000 2.218 404 D HA -0.231 4.051 4.640 -0.597 0.000 0.204 404 D C 1.220 177.402 176.300 -0.197 0.000 0.976 404 D CA 1.126 55.050 54.000 -0.126 0.000 0.853 404 D CB -0.317 40.413 40.800 -0.116 0.000 0.939 404 D HN 0.454 nan 8.370 nan 0.000 0.481 405 Q N -0.314 119.244 119.800 -0.403 0.000 2.364 405 Q HA -0.028 3.954 4.340 -0.597 0.000 0.207 405 Q C 1.190 177.048 176.000 -0.237 0.000 0.970 405 Q CA 0.446 55.918 55.803 -0.553 0.000 0.888 405 Q CB -0.057 27.883 28.738 -1.330 0.000 0.951 405 Q HN 0.210 nan 8.270 nan 0.000 0.469 406 N N -0.059 118.645 118.700 0.007 0.000 2.398 406 N HA 0.074 4.456 4.740 -0.597 0.000 0.188 406 N C 1.049 176.596 175.510 0.062 0.000 1.122 406 N CA 0.349 53.515 53.050 0.194 0.000 0.866 406 N CB 0.243 38.911 38.487 0.301 0.000 0.970 406 N HN 0.210 nan 8.380 nan 0.000 0.462 407 A N 1.596 124.412 122.820 -0.006 0.000 1.908 407 A HA -0.073 3.889 4.320 -0.597 0.000 0.218 407 A C -0.295 177.269 177.584 -0.034 0.000 1.181 407 A CA 1.264 53.284 52.037 -0.029 0.000 0.627 407 A CB -1.282 17.690 19.000 -0.046 0.000 0.818 407 A HN 0.186 nan 8.150 nan 0.000 0.445 408 P HA -0.081 nan 4.420 nan 0.000 0.217 408 P C 1.702 178.992 177.300 -0.017 0.000 1.150 408 P CA 1.793 64.880 63.100 -0.022 0.000 0.832 408 P CB -0.088 31.607 31.700 -0.008 0.000 0.787 409 A N -0.527 122.304 122.820 0.018 0.000 1.873 409 A HA -0.141 3.821 4.320 -0.597 0.000 0.215 409 A C 2.332 179.906 177.584 -0.015 0.000 1.186 409 A CA 1.714 53.769 52.037 0.030 0.000 0.616 409 A CB -1.705 17.339 19.000 0.074 0.000 0.823 409 A HN 0.003 nan 8.150 nan 0.000 0.442 410 V N 1.217 121.098 119.914 -0.054 0.000 2.287 410 V HA -0.306 3.455 4.120 -0.597 0.000 0.248 410 V C 2.335 178.248 176.094 -0.302 0.000 1.053 410 V CA 2.278 64.455 62.300 -0.204 0.000 1.027 410 V CB -1.053 30.652 31.823 -0.197 0.000 0.646 410 V HN 0.560 nan 8.190 nan 0.000 0.447 411 N N 0.513 119.103 118.700 -0.182 0.000 2.120 411 N HA -0.128 4.254 4.740 -0.597 0.000 0.188 411 N C 1.863 177.297 175.510 -0.126 0.000 1.024 411 N CA 1.762 54.716 53.050 -0.160 0.000 0.852 411 N CB -0.599 37.829 38.487 -0.098 0.000 1.003 411 N HN 0.510 nan 8.380 nan 0.000 0.424 412 A N 0.875 123.642 122.820 -0.088 0.000 1.873 412 A HA 0.087 4.049 4.320 -0.597 0.000 0.215 412 A C 2.363 179.935 177.584 -0.021 0.000 1.186 412 A CA 1.876 53.875 52.037 -0.063 0.000 0.616 412 A CB -0.895 18.068 19.000 -0.063 0.000 0.823 412 A HN 0.309 nan 8.150 nan 0.000 0.442 413 A N -0.157 122.676 122.820 0.022 0.000 1.902 413 A HA -0.186 3.776 4.320 -0.597 0.000 0.217 413 A C 2.145 179.894 177.584 0.274 0.000 1.181 413 A CA 2.081 54.244 52.037 0.211 0.000 0.623 413 A CB -0.483 18.695 19.000 0.296 0.000 0.818 413 A HN 0.553 nan 8.150 nan 0.000 0.443 414 K N -0.358 119.985 120.400 -0.094 0.000 2.057 414 K HA -0.075 3.887 4.320 -0.597 0.000 0.207 414 K C 2.135 178.820 176.600 0.141 0.000 1.049 414 K CA 1.198 57.467 56.287 -0.030 0.000 0.931 414 K CB -0.335 31.882 32.500 -0.472 0.000 0.714 414 K HN 0.363 nan 8.250 nan 0.000 0.440 415 A N 1.186 124.020 122.820 0.024 0.000 1.908 415 A HA -0.168 3.794 4.320 -0.597 0.000 0.218 415 A C 2.051 179.635 177.584 0.000 0.000 1.181 415 A CA 1.449 53.496 52.037 0.015 0.000 0.627 415 A CB -0.601 18.381 19.000 -0.031 0.000 0.818 415 A HN 0.392 nan 8.150 nan 0.000 0.445 416 L N -1.728 119.465 121.223 -0.050 0.000 2.005 416 L HA -0.008 3.974 4.340 -0.597 0.000 0.207 416 L C 2.162 178.868 176.870 -0.273 0.000 1.072 416 L CA 1.919 56.628 54.840 -0.219 0.000 0.744 416 L CB -0.587 41.247 42.059 -0.374 0.000 0.895 416 L HN 0.339 nan 8.230 nan 0.000 0.433 417 F N -0.087 119.916 119.950 0.088 0.000 2.407 417 F HA -0.130 4.041 4.527 -0.592 0.000 0.299 417 F C 2.146 177.988 175.800 0.071 0.000 1.097 417 F CA 0.999 59.048 58.000 0.082 0.000 1.422 417 F CB -0.629 38.522 39.000 0.251 0.000 1.067 417 F HN 0.173 nan 8.300 nan 0.000 0.539 418 D N 0.017 120.580 120.400 0.273 0.000 2.178 418 D HA -0.116 4.166 4.640 -0.597 0.000 0.201 418 D C 2.257 178.583 176.300 0.044 0.000 0.980 418 D CA 0.987 55.081 54.000 0.156 0.000 0.842 418 D CB -0.233 40.674 40.800 0.179 0.000 0.948 418 D HN 0.243 nan 8.370 nan 0.000 0.472 419 R N 0.058 120.561 120.500 0.005 0.000 2.092 419 R HA 0.028 4.010 4.340 -0.597 0.000 0.231 419 R C 2.433 178.711 176.300 -0.036 0.000 1.119 419 R CA 0.637 56.721 56.100 -0.027 0.000 0.970 419 R CB -0.139 30.126 30.300 -0.059 0.000 0.864 419 R HN 0.255 nan 8.270 nan 0.000 0.440 420 I N 1.024 121.560 120.570 -0.056 0.000 2.252 420 I HA -0.236 3.576 4.170 -0.597 0.000 0.245 420 I C 1.652 177.753 176.117 -0.026 0.000 1.102 420 I CA 0.974 62.249 61.300 -0.041 0.000 1.385 420 I CB -0.371 37.599 38.000 -0.049 0.000 1.064 420 I HN 0.141 nan 8.210 nan 0.000 0.414 421 N N 1.231 119.898 118.700 -0.054 0.000 2.120 421 N HA -0.207 4.175 4.740 -0.597 0.000 0.188 421 N C 1.818 177.311 175.510 -0.029 0.000 1.024 421 N CA 1.119 54.113 53.050 -0.093 0.000 0.852 421 N CB -0.349 38.014 38.487 -0.206 0.000 1.003 421 N HN 0.340 nan 8.380 nan 0.000 0.424 422 K N 1.089 121.484 120.400 -0.008 0.000 2.057 422 K HA -0.034 3.927 4.320 -0.597 0.000 0.207 422 K C 1.675 178.291 176.600 0.026 0.000 1.049 422 K CA 1.368 57.664 56.287 0.015 0.000 0.931 422 K CB -0.093 32.417 32.500 0.016 0.000 0.714 422 K HN 0.092 nan 8.250 nan 0.000 0.440 423 A N 1.102 123.935 122.820 0.022 0.000 2.014 423 A HA -0.045 3.916 4.320 -0.597 0.000 0.218 423 A C 1.519 179.145 177.584 0.071 0.000 1.163 423 A CA 1.119 53.178 52.037 0.037 0.000 0.652 423 A CB -0.131 18.883 19.000 0.023 0.000 0.808 423 A HN 0.412 nan 8.150 nan 0.000 0.449 424 N N -1.402 117.346 118.700 0.080 0.000 2.197 424 N HA 0.133 4.515 4.740 -0.597 0.000 0.201 424 N C 0.973 176.620 175.510 0.229 0.000 1.148 424 N CA 0.834 53.979 53.050 0.159 0.000 0.883 424 N CB 0.715 39.262 38.487 0.099 0.000 1.012 424 N HN 0.529 nan 8.380 nan 0.000 0.507 425 G N 1.955 110.836 108.800 0.134 0.000 2.198 425 G HA2 -0.284 3.318 3.960 -0.597 0.000 0.260 425 G HA3 -0.284 3.318 3.960 -0.597 0.000 0.260 425 G C 0.315 175.282 174.900 0.111 0.000 1.025 425 G CA 1.096 46.288 45.100 0.153 0.000 0.769 425 G HN 0.467 nan 8.290 nan 0.000 0.507 426 T N -1.703 112.827 114.554 -0.041 0.000 2.948 426 T HA 0.808 4.800 4.350 -0.597 0.000 0.285 426 T C 0.511 175.132 174.700 -0.132 0.000 1.019 426 T CA -0.421 61.579 62.100 -0.166 0.000 1.013 426 T CB 2.584 71.272 68.868 -0.299 0.000 1.117 426 T HN 1.279 nan 8.240 nan 0.000 0.533 427 I N -2.186 118.306 120.570 -0.131 0.000 2.957 427 I HA 0.673 4.485 4.170 -0.597 0.000 0.310 427 I C -0.983 175.031 176.117 -0.172 0.000 1.063 427 I CA -1.882 59.356 61.300 -0.105 0.000 1.033 427 I CB 1.260 39.300 38.000 0.066 0.000 1.230 427 I HN 0.534 nan 8.210 nan 0.000 0.447 428 Y N 1.753 122.023 120.300 -0.050 0.000 2.426 428 Y HA 0.323 4.512 4.550 -0.601 0.000 0.344 428 Y C 0.766 176.494 175.900 -0.287 0.000 1.256 428 Y CA -0.172 57.755 58.100 -0.287 0.000 1.451 428 Y CB 0.328 38.402 38.460 -0.645 0.000 1.342 428 Y HN 0.330 nan 8.280 nan 0.000 0.600 429 R N 1.303 121.731 120.500 -0.120 0.000 2.490 429 R HA 0.075 4.057 4.340 -0.597 0.000 0.280 429 R C -0.627 175.462 176.300 -0.351 0.000 1.077 429 R CA -0.098 55.927 56.100 -0.126 0.000 1.065 429 R CB 0.121 30.364 30.300 -0.095 0.000 1.003 429 R HN 0.820 nan 8.270 nan 0.000 0.470 430 Y N -0.242 120.049 120.300 -0.015 0.000 2.500 430 Y HA 0.053 4.245 4.550 -0.596 0.000 0.246 430 Y C 0.876 176.749 175.900 -0.044 0.000 1.146 430 Y CA -0.183 57.909 58.100 -0.014 0.000 1.230 430 Y CB 0.646 39.121 38.460 0.025 0.000 1.214 430 Y HN 0.551 nan 8.280 nan 0.000 0.526 431 D N -1.004 119.401 120.400 0.008 0.000 2.469 431 D HA 0.072 4.354 4.640 -0.597 0.000 0.215 431 D C 1.152 177.348 176.300 -0.172 0.000 1.154 431 D CA 0.214 54.187 54.000 -0.044 0.000 0.832 431 D CB -0.460 40.322 40.800 -0.031 0.000 1.008 431 D HN 0.311 nan 8.370 nan 0.000 0.506 432 L N -0.943 120.061 121.223 -0.365 0.000 2.341 432 L HA 0.214 4.196 4.340 -0.597 0.000 0.214 432 L C 0.700 177.236 176.870 -0.557 0.000 1.115 432 L CA 0.635 55.137 54.840 -0.564 0.000 0.820 432 L CB -0.269 41.263 42.059 -0.879 0.000 0.944 432 L HN -0.094 nan 8.230 nan 0.000 0.452 433 F N 0.326 120.247 119.950 -0.048 0.000 2.881 433 F HA 0.546 4.723 4.527 -0.584 0.000 0.343 433 F C 0.937 176.686 175.800 -0.085 0.000 1.233 433 F CA -0.447 57.511 58.000 -0.069 0.000 1.262 433 F CB 0.685 39.653 39.000 -0.053 0.000 0.980 433 F HN 0.036 nan 8.300 nan 0.000 0.506 434 G N 0.061 108.845 108.800 -0.027 0.000 2.479 434 G HA2 0.082 3.683 3.960 -0.597 0.000 0.686 434 G HA3 0.082 3.683 3.960 -0.597 0.000 0.686 434 G C 0.600 175.482 174.900 -0.030 0.000 1.295 434 G CA -0.346 44.707 45.100 -0.079 0.000 0.922 434 G HN 0.319 nan 8.290 nan 0.000 0.582 435 T N -1.114 113.419 114.554 -0.034 0.000 2.746 435 T HA 0.469 4.461 4.350 -0.597 0.000 0.267 435 T C 1.819 176.529 174.700 0.017 0.000 1.039 435 T CA 3.488 65.584 62.100 -0.007 0.000 1.142 435 T CB -0.764 68.100 68.868 -0.007 0.000 0.866 435 T HN 2.212 nan 8.240 nan 0.000 0.444 436 Q N 0.547 120.364 119.800 0.029 0.000 2.337 436 Q HA 0.587 4.569 4.340 -0.597 0.000 0.270 436 Q C 0.110 176.157 176.000 0.078 0.000 1.002 436 Q CA -0.486 55.344 55.803 0.046 0.000 0.888 436 Q CB -0.575 28.192 28.738 0.049 0.000 1.222 436 Q HN 0.622 nan 8.270 nan 0.000 0.400 437 L N 2.160 123.430 121.223 0.079 0.000 2.584 437 L HA 0.262 4.244 4.340 -0.597 0.000 0.272 437 L C 0.643 177.637 176.870 0.208 0.000 1.195 437 L CA 0.976 55.903 54.840 0.144 0.000 0.920 437 L CB 0.270 42.359 42.059 0.050 0.000 1.173 437 L HN 0.818 nan 8.230 nan 0.000 0.489 438 K N 2.469 123.034 120.400 0.274 0.000 2.690 438 K HA 0.463 4.425 4.320 -0.597 0.000 0.264 438 K C 0.057 176.778 176.600 0.202 0.000 1.040 438 K CA -0.224 56.215 56.287 0.254 0.000 0.946 438 K CB 1.338 33.970 32.500 0.220 0.000 1.268 438 K HN 0.541 nan 8.250 nan 0.000 0.473 439 A N 4.265 127.110 122.820 0.042 0.000 2.072 439 A HA 0.240 4.202 4.320 -0.597 0.000 0.216 439 A C -0.230 177.016 177.584 -0.564 0.000 1.156 439 A CA 0.609 52.375 52.037 -0.452 0.000 0.701 439 A CB 0.011 18.388 19.000 -1.039 0.000 0.816 439 A HN 0.450 nan 8.150 nan 0.000 0.458 440 F N -0.216 119.724 119.950 -0.017 0.000 2.460 440 F HA 0.600 4.774 4.527 -0.588 0.000 0.341 440 F C 0.397 176.097 175.800 -0.166 0.000 1.130 440 F CA -1.030 56.924 58.000 -0.078 0.000 0.962 440 F CB 1.575 40.524 39.000 -0.085 0.000 1.171 440 F HN 0.087 nan 8.300 nan 0.000 0.436 441 A N 2.255 124.833 122.820 -0.404 0.000 2.404 441 A HA 0.433 4.394 4.320 -0.597 0.000 0.273 441 A C 0.220 177.819 177.584 0.025 0.000 1.144 441 A CA -0.287 51.458 52.037 -0.488 0.000 0.806 441 A CB -0.035 18.223 19.000 -1.238 0.000 1.080 441 A HN 0.744 nan 8.150 nan 0.000 0.509 442 D N 1.209 121.666 120.400 0.094 0.000 2.582 442 D HA 0.079 4.361 4.640 -0.597 0.000 0.246 442 D C -0.398 175.993 176.300 0.151 0.000 1.334 442 D CA 0.182 54.258 54.000 0.127 0.000 0.805 442 D CB 0.287 41.161 40.800 0.122 0.000 1.087 442 D HN 0.437 nan 8.370 nan 0.000 0.499 443 D N 0.064 120.574 120.400 0.183 0.000 2.760 443 D HA 0.156 4.438 4.640 -0.597 0.000 0.314 443 D C -0.223 176.221 176.300 0.240 0.000 1.464 443 D CA -0.661 53.458 54.000 0.198 0.000 0.797 443 D CB -0.907 40.009 40.800 0.193 0.000 1.149 443 D HN 0.225 nan 8.370 nan 0.000 0.455 444 F N 0.469 120.453 119.950 0.056 0.000 2.611 444 F HA 0.832 5.006 4.527 -0.590 0.000 0.324 444 F C -0.790 175.041 175.800 0.052 0.000 1.061 444 F CA -1.681 56.392 58.000 0.121 0.000 0.954 444 F CB 1.484 40.517 39.000 0.055 0.000 1.301 444 F HN 0.150 nan 8.300 nan 0.000 0.482 445 C N 0.675 119.910 119.300 -0.109 0.000 3.239 445 C HA 0.586 4.687 4.460 -0.597 0.000 0.317 445 C C -0.579 174.600 174.990 0.315 0.000 1.310 445 C CA -0.636 58.149 59.018 -0.389 0.000 1.371 445 C CB 0.856 28.416 27.740 -0.301 0.000 1.714 445 C HN 0.966 nan 8.230 nan 0.000 0.473 446 Y N -0.828 119.472 120.300 -0.000 0.000 2.462 446 Y HA 0.293 4.483 4.550 -0.601 0.000 0.253 446 Y C 1.273 177.299 175.900 0.210 0.000 1.095 446 Y CA 0.327 58.492 58.100 0.108 0.000 1.283 446 Y CB -0.361 38.111 38.460 0.020 0.000 1.138 446 Y HN 0.793 nan 8.280 nan 0.000 0.522 447 H N 1.114 120.326 119.070 0.237 0.000 2.317 447 H HA 0.241 4.439 4.556 -0.597 0.000 0.231 447 H C -2.527 172.821 175.328 0.033 0.000 1.442 447 H CA -2.316 53.808 56.048 0.127 0.000 1.336 447 H CB 0.456 30.258 29.762 0.067 0.000 1.533 447 H HN -0.068 nan 8.280 nan 0.000 0.522 448 P HA 0.072 nan 4.420 nan 0.000 0.271 448 P C -0.427 176.907 177.300 0.057 0.000 1.216 448 P CA 0.080 63.300 63.100 0.201 0.000 0.771 448 P CB 1.628 33.677 31.700 0.581 0.000 0.864 449 L N 2.796 123.857 121.223 -0.270 0.000 2.436 449 L HA 0.746 4.728 4.340 -0.597 0.000 0.268 449 L C 0.624 177.377 176.870 -0.195 0.000 0.974 449 L CA -0.390 54.352 54.840 -0.163 0.000 0.826 449 L CB 2.057 44.018 42.059 -0.164 0.000 1.291 449 L HN 0.740 nan 8.230 nan 0.000 0.406 450 G N 1.224 110.052 108.800 0.046 0.000 2.549 450 G HA2 0.339 3.941 3.960 -0.597 0.000 0.404 450 G HA3 0.339 3.941 3.960 -0.597 0.000 0.404 450 G C 0.376 175.488 174.900 0.353 0.000 1.292 450 G CA -0.278 44.904 45.100 0.136 0.000 0.935 450 G HN 1.398 nan 8.290 nan 0.000 0.512 451 G N -2.889 106.113 108.800 0.338 0.000 2.313 451 G HA2 -0.001 3.601 3.960 -0.597 0.000 0.215 451 G HA3 -0.001 3.601 3.960 -0.597 0.000 0.215 451 G C 0.701 175.693 174.900 0.155 0.000 1.023 451 G CA 1.093 46.391 45.100 0.331 0.000 0.626 451 G HN 2.163 nan 8.290 nan 0.000 0.503 452 C N 2.158 121.519 119.300 0.103 0.000 3.465 452 C HA 0.635 4.736 4.460 -0.597 0.000 0.193 452 C C 0.733 175.750 174.990 0.045 0.000 1.515 452 C CA -0.854 58.198 59.018 0.056 0.000 1.340 452 C CB -0.120 27.635 27.740 0.024 0.000 1.928 452 C HN 0.454 nan 8.230 nan 0.000 0.510 453 V N 2.190 122.133 119.914 0.049 0.000 2.655 453 V HA 0.051 3.812 4.120 -0.597 0.000 0.300 453 V C 0.580 176.676 176.094 0.003 0.000 1.044 453 V CA -0.068 62.246 62.300 0.023 0.000 1.095 453 V CB 0.867 32.703 31.823 0.023 0.000 0.952 453 V HN 0.605 nan 8.190 nan 0.000 0.485 454 L N 5.423 126.634 121.223 -0.021 0.000 2.584 454 L HA 0.408 4.390 4.340 -0.597 0.000 0.272 454 L C 1.236 178.079 176.870 -0.045 0.000 1.195 454 L CA 1.889 56.705 54.840 -0.039 0.000 0.920 454 L CB -0.087 41.928 42.059 -0.073 0.000 1.173 454 L HN 1.001 nan 8.230 nan 0.000 0.489 455 G N 2.906 111.688 108.800 -0.030 0.000 2.176 455 G HA2 -0.303 3.299 3.960 -0.597 0.000 0.253 455 G HA3 -0.303 3.299 3.960 -0.597 0.000 0.253 455 G C 1.033 175.930 174.900 -0.005 0.000 0.979 455 G CA 0.645 45.731 45.100 -0.023 0.000 0.641 455 G HN 0.649 nan 8.290 nan 0.000 0.530 456 K N -0.698 119.703 120.400 0.002 0.000 2.418 456 K HA 0.557 4.519 4.320 -0.597 0.000 0.208 456 K C 2.666 179.280 176.600 0.023 0.000 1.261 456 K CA 0.491 56.785 56.287 0.013 0.000 0.874 456 K CB -0.029 32.480 32.500 0.014 0.000 1.451 456 K HN 0.378 nan 8.250 nan 0.000 0.466 457 A N 1.676 124.513 122.820 0.028 0.000 2.119 457 A HA 0.004 3.966 4.320 -0.597 0.000 0.216 457 A C 1.147 178.750 177.584 0.031 0.000 1.152 457 A CA 1.262 53.319 52.037 0.033 0.000 0.708 457 A CB -0.290 18.732 19.000 0.037 0.000 0.805 457 A HN 0.467 nan 8.150 nan 0.000 0.460 458 T N -2.578 111.992 114.554 0.028 0.000 2.864 458 T HA 0.507 4.499 4.350 -0.597 0.000 0.289 458 T C -0.536 174.186 174.700 0.036 0.000 1.082 458 T CA -0.249 61.872 62.100 0.035 0.000 1.009 458 T CB 1.560 70.450 68.868 0.038 0.000 1.234 458 T HN 0.215 nan 8.240 nan 0.000 0.526 459 D N -0.058 120.378 120.400 0.060 0.000 2.398 459 D HA 0.162 4.444 4.640 -0.597 0.000 0.264 459 D C 0.331 176.652 176.300 0.034 0.000 1.263 459 D CA -0.436 53.606 54.000 0.071 0.000 1.037 459 D CB -0.051 40.825 40.800 0.127 0.000 1.101 459 D HN 0.486 nan 8.370 nan 0.000 0.551 460 D N -1.651 118.750 120.400 0.001 0.000 2.363 460 D HA -0.073 4.209 4.640 -0.597 0.000 0.226 460 D C 0.170 176.149 176.300 -0.535 0.000 1.020 460 D CA 0.665 54.528 54.000 -0.229 0.000 0.892 460 D CB -0.157 40.469 40.800 -0.290 0.000 0.900 460 D HN 0.403 nan 8.370 nan 0.000 0.531 461 Y N -0.781 119.533 120.300 0.022 0.000 2.660 461 Y HA 0.337 4.529 4.550 -0.597 0.000 0.254 461 Y C 1.686 177.610 175.900 0.039 0.000 1.176 461 Y CA -0.266 57.841 58.100 0.012 0.000 1.195 461 Y CB 0.917 39.383 38.460 0.010 0.000 1.190 461 Y HN -0.034 nan 8.280 nan 0.000 0.535 462 G N 1.006 109.877 108.800 0.119 0.000 2.148 462 G HA2 -0.302 3.299 3.960 -0.597 0.000 0.254 462 G HA3 -0.302 3.299 3.960 -0.597 0.000 0.254 462 G C 0.228 175.233 174.900 0.174 0.000 0.981 462 G CA -0.437 44.735 45.100 0.120 0.000 0.670 462 G HN 0.328 nan 8.290 nan 0.000 0.528 463 R N 0.216 120.843 120.500 0.211 0.000 2.370 463 R HA 0.369 4.351 4.340 -0.597 0.000 0.309 463 R C 0.575 176.904 176.300 0.047 0.000 1.059 463 R CA -0.419 55.774 56.100 0.156 0.000 0.981 463 R CB 1.192 31.600 30.300 0.179 0.000 0.972 463 R HN 0.105 nan 8.270 nan 0.000 0.437 464 V N 3.461 123.358 119.914 -0.029 0.000 2.529 464 V HA 0.018 3.780 4.120 -0.597 0.000 0.292 464 V C 0.932 177.059 176.094 0.055 0.000 1.028 464 V CA -0.143 62.160 62.300 0.004 0.000 1.074 464 V CB 0.811 32.608 31.823 -0.045 0.000 0.958 464 V HN 0.872 nan 8.190 nan 0.000 0.481 465 A N 4.502 127.356 122.820 0.057 0.000 2.511 465 A HA 0.516 4.478 4.320 -0.597 0.000 0.242 465 A C 1.511 179.124 177.584 0.049 0.000 1.069 465 A CA 0.579 52.641 52.037 0.042 0.000 0.763 465 A CB -0.263 18.756 19.000 0.031 0.000 1.001 465 A HN 2.092 nan 8.150 nan 0.000 0.498 466 G N 0.397 109.163 108.800 -0.058 0.000 2.213 466 G HA2 -0.208 3.394 3.960 -0.597 0.000 0.236 466 G HA3 -0.208 3.394 3.960 -0.597 0.000 0.236 466 G C -0.097 174.426 174.900 -0.628 0.000 0.991 466 G CA 0.524 45.459 45.100 -0.275 0.000 0.629 466 G HN 0.984 nan 8.290 nan 0.000 0.517 467 Y N -0.012 120.280 120.300 -0.013 0.000 2.524 467 Y HA 0.662 4.853 4.550 -0.597 0.000 0.347 467 Y C 0.152 176.037 175.900 -0.025 0.000 1.005 467 Y CA -0.903 57.200 58.100 0.006 0.000 1.025 467 Y CB 1.843 40.316 38.460 0.022 0.000 1.275 467 Y HN 0.149 nan 8.280 nan 0.000 0.460 468 K N 1.402 121.895 120.400 0.155 0.000 2.138 468 K HA 0.390 4.352 4.320 -0.597 0.000 0.263 468 K C -0.309 176.332 176.600 0.069 0.000 0.965 468 K CA -0.238 56.093 56.287 0.073 0.000 0.868 468 K CB 0.421 32.962 32.500 0.067 0.000 1.083 468 K HN 0.897 nan 8.250 nan 0.000 0.443 469 N N 0.616 119.255 118.700 -0.101 0.000 2.776 469 N HA -0.237 4.145 4.740 -0.597 0.000 0.250 469 N C -1.401 173.721 175.510 -0.646 0.000 1.112 469 N CA 0.360 53.318 53.050 -0.152 0.000 0.733 469 N CB -0.789 37.822 38.487 0.206 0.000 1.097 469 N HN 0.267 nan 8.380 nan 0.000 0.558 470 L N 1.151 121.749 121.223 -1.042 0.000 2.376 470 L HA 0.548 4.530 4.340 -0.597 0.000 0.275 470 L C -1.315 174.952 176.870 -1.005 0.000 0.987 470 L CA -0.814 53.435 54.840 -0.985 0.000 0.828 470 L CB 0.861 42.500 42.059 -0.700 0.000 1.249 470 L HN 0.053 nan 8.230 nan 0.000 0.409 471 Y N 3.447 123.519 120.300 -0.380 0.000 2.512 471 Y HA 0.748 4.940 4.550 -0.597 0.000 0.348 471 Y C -0.440 175.368 175.900 -0.152 0.000 0.990 471 Y CA -1.188 56.744 58.100 -0.280 0.000 1.033 471 Y CB 2.269 40.437 38.460 -0.486 0.000 1.259 471 Y HN 0.238 nan 8.280 nan 0.000 0.461 472 V N 1.207 121.175 119.914 0.091 0.000 2.555 472 V HA 0.375 4.137 4.120 -0.597 0.000 0.302 472 V C 0.296 176.454 176.094 0.105 0.000 1.038 472 V CA -0.290 62.052 62.300 0.070 0.000 0.887 472 V CB 1.813 33.651 31.823 0.025 0.000 0.991 472 V HN 1.013 nan 8.190 nan 0.000 0.434 473 T N -1.611 113.002 114.554 0.098 0.000 3.058 473 T HA 0.228 4.220 4.350 -0.597 0.000 0.278 473 T C 0.082 174.810 174.700 0.047 0.000 0.974 473 T CA 0.214 62.366 62.100 0.088 0.000 0.893 473 T CB 0.092 69.029 68.868 0.115 0.000 1.138 473 T HN 0.711 nan 8.240 nan 0.000 0.529 474 D N 0.268 120.696 120.400 0.047 0.000 2.784 474 D HA 0.478 4.760 4.640 -0.597 0.000 0.256 474 D C 1.693 178.024 176.300 0.052 0.000 1.129 474 D CA -0.174 53.857 54.000 0.052 0.000 1.102 474 D CB 0.054 40.889 40.800 0.058 0.000 1.330 474 D HN -0.038 nan 8.370 nan 0.000 0.626 475 G N -0.898 107.944 108.800 0.070 0.000 2.535 475 G HA2 -0.173 3.429 3.960 -0.597 0.000 0.218 475 G HA3 -0.173 3.429 3.960 -0.597 0.000 0.218 475 G C 1.127 176.071 174.900 0.072 0.000 1.122 475 G CA 0.869 46.010 45.100 0.069 0.000 0.769 475 G HN 0.355 nan 8.290 nan 0.000 0.549 476 S N 0.279 116.024 115.700 0.075 0.000 2.419 476 S HA -0.007 4.105 4.470 -0.597 0.000 0.233 476 S C 2.142 176.778 174.600 0.060 0.000 1.016 476 S CA 0.520 58.770 58.200 0.082 0.000 0.974 476 S CB -0.117 63.112 63.200 0.048 0.000 0.786 476 S HN 0.388 nan 8.310 nan 0.000 0.492 477 L N 0.903 122.147 121.223 0.035 0.000 2.217 477 L HA 0.055 4.037 4.340 -0.597 0.000 0.211 477 L C 0.302 177.166 176.870 -0.010 0.000 1.107 477 L CA 0.343 55.190 54.840 0.012 0.000 0.783 477 L CB -0.295 41.764 42.059 0.001 0.000 0.919 477 L HN 0.245 nan 8.230 nan 0.000 0.442 478 I N 1.696 122.260 120.570 -0.010 0.000 2.496 478 I HA 0.103 3.915 4.170 -0.597 0.000 0.285 478 I C -1.876 174.211 176.117 -0.049 0.000 1.080 478 I CA -2.312 58.962 61.300 -0.042 0.000 1.404 478 I CB 0.359 38.340 38.000 -0.032 0.000 1.403 478 I HN -0.144 nan 8.210 nan 0.000 0.539 479 P HA 0.175 nan 4.420 nan 0.000 0.225 479 P C 0.917 178.182 177.300 -0.059 0.000 1.768 479 P CA 0.241 63.309 63.100 -0.055 0.000 0.943 479 P CB 0.151 31.809 31.700 -0.070 0.000 1.936 480 G N -0.680 108.062 108.800 -0.097 0.000 2.225 480 G HA2 -0.214 3.388 3.960 -0.597 0.000 0.254 480 G HA3 -0.214 3.388 3.960 -0.597 0.000 0.254 480 G C 0.132 174.957 174.900 -0.125 0.000 0.988 480 G CA 0.218 45.216 45.100 -0.170 0.000 0.625 480 G HN 0.785 nan 8.290 nan 0.000 0.527 481 S N -2.035 113.646 115.700 -0.032 0.000 2.548 481 S HA 0.567 4.679 4.470 -0.597 0.000 0.278 481 S C -0.260 174.406 174.600 0.110 0.000 1.150 481 S CA 0.573 58.818 58.200 0.075 0.000 0.907 481 S CB 1.786 65.122 63.200 0.227 0.000 1.108 481 S HN 1.365 nan 8.310 nan 0.000 0.459 482 V N 3.972 123.941 119.914 0.090 0.000 3.382 482 V HA 0.487 4.249 4.120 -0.597 0.000 0.296 482 V C 1.396 177.442 176.094 -0.080 0.000 1.529 482 V CA 0.893 63.243 62.300 0.084 0.000 1.048 482 V CB 0.070 31.895 31.823 0.002 0.000 0.878 482 V HN 1.883 nan 8.190 nan 0.000 0.442 483 G N 0.951 109.522 108.800 -0.381 0.000 2.189 483 G HA2 -0.224 3.377 3.960 -0.597 0.000 0.267 483 G HA3 -0.224 3.377 3.960 -0.597 0.000 0.267 483 G C 0.329 174.664 174.900 -0.941 0.000 0.975 483 G CA 1.185 45.467 45.100 -1.363 0.000 0.644 483 G HN 1.658 nan 8.290 nan 0.000 0.537 484 V N -4.171 115.441 119.914 -0.504 0.000 3.203 484 V HA 0.789 4.550 4.120 -0.597 0.000 0.305 484 V C 0.439 176.380 176.094 -0.255 0.000 1.361 484 V CA -1.866 60.148 62.300 -0.476 0.000 1.066 484 V CB 1.445 32.900 31.823 -0.614 0.000 1.085 484 V HN 0.301 nan 8.190 nan 0.000 0.456 485 L N 3.034 124.119 121.223 -0.230 0.000 2.559 485 L HA 0.216 4.198 4.340 -0.597 0.000 0.274 485 L C -1.135 175.484 176.870 -0.419 0.000 1.205 485 L CA -0.459 54.173 54.840 -0.347 0.000 0.907 485 L CB 0.311 42.211 42.059 -0.265 0.000 1.153 485 L HN 0.673 nan 8.230 nan 0.000 0.490 486 P HA -0.100 nan 4.420 nan 0.000 0.235 486 P C 1.449 178.619 177.300 -0.217 0.000 1.177 486 P CA 0.575 63.522 63.100 -0.254 0.000 0.785 486 P CB 0.106 31.703 31.700 -0.172 0.000 0.885 487 F N -0.397 119.353 119.950 -0.333 0.000 2.293 487 F HA -0.041 4.127 4.527 -0.598 0.000 0.300 487 F C 1.754 177.322 175.800 -0.385 0.000 1.086 487 F CA 0.437 58.090 58.000 -0.578 0.000 1.375 487 F CB -2.025 36.255 39.000 -1.200 0.000 1.045 487 F HN -0.330 nan 8.300 nan 0.000 0.516 488 V N 0.918 120.713 119.914 -0.198 0.000 2.343 488 V HA -0.275 3.487 4.120 -0.597 0.000 0.247 488 V C 2.455 178.636 176.094 0.146 0.000 1.051 488 V CA 2.478 64.802 62.300 0.040 0.000 1.036 488 V CB -1.162 30.636 31.823 -0.043 0.000 0.654 488 V HN 0.520 nan 8.190 nan 0.000 0.451 489 T N 0.325 114.960 114.554 0.135 0.000 2.708 489 T HA -0.132 3.860 4.350 -0.597 0.000 0.266 489 T C 1.822 176.545 174.700 0.038 0.000 1.037 489 T CA 1.802 64.021 62.100 0.198 0.000 1.146 489 T CB -0.282 68.708 68.868 0.203 0.000 0.865 489 T HN 0.348 nan 8.240 nan 0.000 0.435 490 I N 1.214 121.788 120.570 0.007 0.000 2.208 490 I HA -0.211 3.601 4.170 -0.597 0.000 0.245 490 I C 2.718 178.824 176.117 -0.018 0.000 1.097 490 I CA 1.225 62.523 61.300 -0.004 0.000 1.363 490 I CB -0.770 37.232 38.000 0.003 0.000 1.051 490 I HN 0.264 nan 8.210 nan 0.000 0.413 491 T N 0.725 115.280 114.554 0.001 0.000 2.708 491 T HA -0.150 3.842 4.350 -0.597 0.000 0.266 491 T C 2.069 176.724 174.700 -0.074 0.000 1.037 491 T CA 1.512 63.606 62.100 -0.010 0.000 1.146 491 T CB -0.352 68.577 68.868 0.101 0.000 0.865 491 T HN 0.483 nan 8.240 nan 0.000 0.435 492 A N 1.160 123.904 122.820 -0.126 0.000 1.898 492 A HA 0.021 3.983 4.320 -0.597 0.000 0.216 492 A C 2.235 179.615 177.584 -0.340 0.000 1.181 492 A CA 1.182 53.036 52.037 -0.304 0.000 0.620 492 A CB -0.760 17.752 19.000 -0.814 0.000 0.819 492 A HN 0.399 nan 8.150 nan 0.000 0.442 493 L N -0.352 120.708 121.223 -0.271 0.000 2.141 493 L HA 0.011 3.993 4.340 -0.597 0.000 0.209 493 L C 2.576 179.335 176.870 -0.186 0.000 1.094 493 L CA 1.961 56.676 54.840 -0.209 0.000 0.763 493 L CB -0.677 41.329 42.059 -0.088 0.000 0.908 493 L HN 0.326 nan 8.230 nan 0.000 0.437 494 A N -0.961 121.775 122.820 -0.140 0.000 1.930 494 A HA -0.142 3.820 4.320 -0.597 0.000 0.217 494 A C 2.147 179.638 177.584 -0.154 0.000 1.175 494 A CA 1.435 53.402 52.037 -0.117 0.000 0.627 494 A CB -0.480 18.460 19.000 -0.100 0.000 0.815 494 A HN 0.502 nan 8.150 nan 0.000 0.443 495 E N -0.274 119.821 120.200 -0.175 0.000 2.051 495 E HA -0.222 3.770 4.350 -0.597 0.000 0.192 495 E C 2.205 178.588 176.600 -0.361 0.000 0.991 495 E CA 1.316 57.621 56.400 -0.159 0.000 0.799 495 E CB -0.379 29.306 29.700 -0.026 0.000 0.748 495 E HN 0.698 nan 8.360 nan 0.000 0.449 496 R N 0.861 120.928 120.500 -0.721 0.000 2.083 496 R HA -0.155 3.827 4.340 -0.597 0.000 0.237 496 R C 1.892 177.991 176.300 -0.336 0.000 1.137 496 R CA 1.747 57.221 56.100 -1.043 0.000 0.951 496 R CB -0.052 29.665 30.300 -0.973 0.000 0.851 496 R HN 0.069 nan 8.270 nan 0.000 0.434 497 N N 0.337 118.933 118.700 -0.172 0.000 2.142 497 N HA -0.140 4.242 4.740 -0.597 0.000 0.186 497 N C 1.843 177.335 175.510 -0.029 0.000 1.023 497 N CA 1.699 54.762 53.050 0.023 0.000 0.852 497 N CB -0.416 38.085 38.487 0.023 0.000 0.998 497 N HN 0.337 nan 8.380 nan 0.000 0.424 498 V N -0.492 119.372 119.914 -0.084 0.000 2.548 498 V HA -0.059 3.703 4.120 -0.597 0.000 0.249 498 V C 2.052 178.082 176.094 -0.107 0.000 1.055 498 V CA 1.634 63.874 62.300 -0.101 0.000 1.065 498 V CB -0.611 31.128 31.823 -0.139 0.000 0.681 498 V HN 0.174 nan 8.190 nan 0.000 0.462 499 E N 0.797 120.941 120.200 -0.093 0.000 2.077 499 E HA -0.289 3.702 4.350 -0.597 0.000 0.193 499 E C 2.355 178.910 176.600 -0.075 0.000 0.989 499 E CA 1.635 58.002 56.400 -0.056 0.000 0.800 499 E CB -0.108 29.597 29.700 0.009 0.000 0.746 499 E HN 0.586 nan 8.360 nan 0.000 0.452 500 R N 0.573 121.009 120.500 -0.106 0.000 2.073 500 R HA -0.013 3.969 4.340 -0.597 0.000 0.229 500 R C 2.120 178.301 176.300 -0.199 0.000 1.120 500 R CA 1.294 57.274 56.100 -0.200 0.000 0.967 500 R CB -0.457 29.576 30.300 -0.445 0.000 0.862 500 R HN 0.252 nan 8.270 nan 0.000 0.436 501 I N 0.014 120.479 120.570 -0.176 0.000 2.179 501 I HA -0.259 3.553 4.170 -0.597 0.000 0.242 501 I C 2.086 178.102 176.117 -0.169 0.000 1.088 501 I CA 1.345 62.527 61.300 -0.198 0.000 1.357 501 I CB -0.212 37.574 38.000 -0.358 0.000 1.051 501 I HN 0.158 nan 8.210 nan 0.000 0.409 502 I N 0.533 121.011 120.570 -0.153 0.000 2.226 502 I HA -0.296 3.516 4.170 -0.597 0.000 0.245 502 I C 2.487 178.545 176.117 -0.099 0.000 1.100 502 I CA 1.495 62.711 61.300 -0.139 0.000 1.374 502 I CB -0.342 37.584 38.000 -0.124 0.000 1.057 502 I HN 0.153 nan 8.210 nan 0.000 0.413 503 K N 0.010 120.360 120.400 -0.085 0.000 2.057 503 K HA -0.253 3.709 4.320 -0.597 0.000 0.207 503 K C 2.179 178.748 176.600 -0.053 0.000 1.049 503 K CA 1.488 57.738 56.287 -0.061 0.000 0.931 503 K CB -0.103 32.362 32.500 -0.059 0.000 0.714 503 K HN 0.138 nan 8.250 nan 0.000 0.440 504 Q N 0.569 120.327 119.800 -0.069 0.000 2.259 504 Q HA -0.059 3.923 4.340 -0.597 0.000 0.201 504 Q C 0.743 176.743 176.000 -0.000 0.000 0.938 504 Q CA 1.550 57.327 55.803 -0.044 0.000 0.872 504 Q CB 0.487 29.178 28.738 -0.077 0.000 0.971 504 Q HN 0.175 nan 8.270 nan 0.000 0.494 505 D N -1.379 119.023 120.400 0.004 0.000 2.422 505 D HA 0.134 4.416 4.640 -0.597 0.000 0.218 505 D C 0.048 176.400 176.300 0.086 0.000 1.047 505 D CA 0.210 54.262 54.000 0.086 0.000 0.885 505 D CB 0.768 41.667 40.800 0.166 0.000 1.035 505 D HN 0.038 nan 8.370 nan 0.000 0.502 506 V N 0.000 119.879 119.914 -0.059 0.000 2.409 506 V HA 0.000 3.762 4.120 -0.597 0.000 0.244 506 V CA 0.000 62.202 62.300 -0.164 0.000 1.235 506 V CB 0.000 31.587 31.823 -0.393 0.000 1.184 506 V HN 0.000 nan 8.190 nan 0.000 0.556