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 2dqx_1_A DATA FIRST_RESID 5 DATA SEQUENCE SNMLLNYVPV YVMLPLGVVN VDNVFEDPDG LKEQLLQLRA AGVDGVMVDV DATA SEQUENCE RWGIIELKGP KQYDWRAYRS LFQLVQECGL TLQAIMSFHQ CGGNVGDIVN DATA SEQUENCE IPIPQWVLDI GESNHDIFYT NRSGTRNKEY LTVGVDNEPI FHGRTAIEIY DATA SEQUENCE SDYMKSFREN MSDFLESGLI IDIEVGLGPA GELRYPSYPQ SQGWEFPGIG DATA SEQUENCE EFQCYDKYLK ADFKAAVARA GHPEWELPDD AGKYNDVPES TGFFKSNGTY DATA SEQUENCE VTEKGKFFLT WYSNKLLNHG DQILDEANKA FLGCKVKLAI KVSGIHWWYK DATA SEQUENCE VENHAAELTA GYYNLNDRDG YRPIARMLSR HHAILNFTCL EMRDSEQPSD DATA SEQUENCE AKSGPQELVQ QVLSGGWRED IRVAGENALP RYDATAYNQI ILNARPQGVN DATA SEQUENCE NNGPPKLSMF GVTYLRLSDD LLQKSNFNIF KKFVLKMHAD QDYCANPQKY DATA SEQUENCE NHAITPLKPS APKIPIEVLL EATKPTLPFP WLPETDMKVD G 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.587 174.600 -0.021 0.000 1.055 5 S CA 0.000 58.188 58.200 -0.020 0.000 1.107 5 S CB 0.000 63.188 63.200 -0.019 0.000 0.593 6 N N 2.072 120.760 118.700 -0.021 0.000 2.815 6 N HA 0.274 5.014 4.740 0.000 0.000 0.253 6 N C 0.521 176.019 175.510 -0.020 0.000 1.202 6 N CA -0.561 52.475 53.050 -0.022 0.000 0.925 6 N CB 1.182 39.654 38.487 -0.026 0.000 1.622 6 N HN 0.448 nan 8.380 nan 0.000 0.497 7 M N 1.337 120.924 119.600 -0.022 0.000 2.260 7 M HA -0.178 4.302 4.480 0.000 0.000 0.261 7 M C 1.782 178.075 176.300 -0.012 0.000 1.066 7 M CA 1.364 56.651 55.300 -0.023 0.000 1.082 7 M CB -0.228 32.356 32.600 -0.027 0.000 1.388 7 M HN 0.523 nan 8.290 nan 0.000 0.419 8 L N 0.784 122.002 121.223 -0.008 0.000 2.263 8 L HA -0.174 4.166 4.340 0.000 0.000 0.216 8 L C 1.805 178.693 176.870 0.030 0.000 1.111 8 L CA 1.649 56.492 54.840 0.006 0.000 0.773 8 L CB -0.574 41.467 42.059 -0.029 0.000 0.906 8 L HN 0.301 nan 8.230 nan 0.000 0.439 9 L N -0.649 120.586 121.223 0.021 0.000 2.622 9 L HA -0.067 4.273 4.340 0.000 0.000 0.233 9 L C 1.457 178.342 176.870 0.026 0.000 1.156 9 L CA 0.335 55.199 54.840 0.040 0.000 0.866 9 L CB -0.528 41.542 42.059 0.019 0.000 0.980 9 L HN 0.386 nan 8.230 nan 0.000 0.448 10 N N -1.155 117.544 118.700 -0.002 0.000 2.236 10 N HA -0.034 4.707 4.740 0.000 0.000 0.196 10 N C 0.020 175.493 175.510 -0.062 0.000 1.114 10 N CA -0.086 52.941 53.050 -0.037 0.000 0.859 10 N CB 0.508 38.960 38.487 -0.058 0.000 0.982 10 N HN 0.170 nan 8.380 nan 0.000 0.493 11 Y N 2.216 122.368 120.300 -0.246 0.000 2.605 11 Y HA 0.051 4.601 4.550 0.000 0.000 0.336 11 Y C -0.206 175.375 175.900 -0.532 0.000 1.111 11 Y CA 0.052 57.887 58.100 -0.441 0.000 1.422 11 Y CB 0.369 38.406 38.460 -0.706 0.000 1.193 11 Y HN -0.278 nan 8.280 nan 0.000 0.526 12 V N 9.916 129.580 119.914 -0.417 0.000 2.357 12 V HA 0.315 4.435 4.120 0.000 0.000 0.284 12 V C -2.092 173.789 176.094 -0.356 0.000 1.018 12 V CA -2.093 60.029 62.300 -0.296 0.000 0.841 12 V CB 1.341 33.066 31.823 -0.164 0.000 0.991 12 V HN 0.706 nan 8.190 nan 0.000 0.437 13 P HA 0.159 nan 4.420 nan 0.000 0.268 13 P C -0.797 176.419 177.300 -0.140 0.000 1.205 13 P CA 0.113 63.137 63.100 -0.127 0.000 0.771 13 P CB 1.378 33.099 31.700 0.035 0.000 0.858 14 V N 4.745 124.477 119.914 -0.303 0.000 2.448 14 V HA 0.364 4.485 4.120 0.000 0.000 0.295 14 V C -0.385 175.500 176.094 -0.349 0.000 1.025 14 V CA -0.454 61.704 62.300 -0.237 0.000 0.859 14 V CB 0.887 32.481 31.823 -0.382 0.000 0.988 14 V HN 0.429 nan 8.190 nan 0.000 0.431 15 Y N 2.446 122.856 120.300 0.184 0.000 2.509 15 Y HA 0.753 5.303 4.550 0.000 0.000 0.341 15 Y C -0.063 176.005 175.900 0.280 0.000 1.038 15 Y CA -1.105 57.120 58.100 0.208 0.000 1.089 15 Y CB 2.235 40.798 38.460 0.173 0.000 1.241 15 Y HN 0.342 nan 8.280 nan 0.000 0.468 16 V N 3.601 123.752 119.914 0.396 0.000 2.487 16 V HA 0.339 4.459 4.120 0.000 0.000 0.298 16 V C -0.197 176.061 176.094 0.273 0.000 1.028 16 V CA -1.075 61.445 62.300 0.367 0.000 0.860 16 V CB 1.536 33.550 31.823 0.319 0.000 0.991 16 V HN 0.750 nan 8.190 nan 0.000 0.427 17 M N 4.976 124.713 119.600 0.229 0.000 2.228 17 M HA 0.354 4.835 4.480 0.000 0.000 0.351 17 M C -0.367 176.016 176.300 0.138 0.000 1.233 17 M CA 0.146 55.540 55.300 0.157 0.000 1.129 17 M CB 0.461 33.122 32.600 0.102 0.000 1.604 17 M HN 0.421 nan 8.290 nan 0.000 0.457 18 L N 4.788 126.086 121.223 0.125 0.000 2.418 18 L HA 0.395 4.735 4.340 0.000 0.000 0.265 18 L C -1.785 175.138 176.870 0.088 0.000 1.143 18 L CA -1.965 52.940 54.840 0.108 0.000 0.809 18 L CB 0.259 42.382 42.059 0.107 0.000 1.124 18 L HN 0.416 nan 8.230 nan 0.000 0.456 19 P HA 0.073 nan 4.420 nan 0.000 0.272 19 P C -0.750 176.586 177.300 0.059 0.000 1.240 19 P CA -0.530 62.607 63.100 0.061 0.000 0.791 19 P CB 0.681 32.413 31.700 0.054 0.000 0.978 20 L N 0.425 121.678 121.223 0.050 0.000 2.452 20 L HA 0.218 4.559 4.340 0.000 0.000 0.267 20 L C 1.965 178.860 176.870 0.041 0.000 1.188 20 L CA 1.482 56.350 54.840 0.047 0.000 0.821 20 L CB -0.816 41.267 42.059 0.039 0.000 1.102 20 L HN 0.927 nan 8.230 nan 0.000 0.470 21 G N 1.636 110.458 108.800 0.037 0.000 2.176 21 G HA2 -0.277 3.683 3.960 0.000 0.000 0.253 21 G HA3 -0.277 3.683 3.960 0.000 0.000 0.253 21 G C 0.950 175.872 174.900 0.036 0.000 0.979 21 G CA 0.336 45.454 45.100 0.030 0.000 0.641 21 G HN 0.415 nan 8.290 nan 0.000 0.530 22 V N -0.394 119.543 119.914 0.039 0.000 2.317 22 V HA -0.136 3.985 4.120 0.000 0.000 0.251 22 V C 1.682 177.812 176.094 0.060 0.000 1.065 22 V CA 2.145 64.487 62.300 0.071 0.000 1.049 22 V CB -0.233 31.601 31.823 0.018 0.000 0.651 22 V HN 0.451 nan 8.190 nan 0.000 0.450 23 V N 1.750 121.615 119.914 -0.082 0.000 2.378 23 V HA 0.364 4.485 4.120 0.000 0.000 0.288 23 V C -0.003 176.063 176.094 -0.047 0.000 1.016 23 V CA -1.033 61.181 62.300 -0.143 0.000 0.840 23 V CB 1.427 32.938 31.823 -0.519 0.000 0.994 23 V HN 0.693 nan 8.190 nan 0.000 0.431 24 N N 4.128 122.826 118.700 -0.002 0.000 2.322 24 N HA 0.130 4.870 4.740 0.000 0.000 0.270 24 N C 1.066 176.585 175.510 0.014 0.000 1.286 24 N CA -0.205 52.851 53.050 0.010 0.000 0.948 24 N CB 0.675 39.170 38.487 0.014 0.000 1.164 24 N HN 0.192 nan 8.380 nan 0.000 0.551 25 V N -0.619 119.303 119.914 0.014 0.000 2.568 25 V HA -0.183 3.937 4.120 0.000 0.000 0.253 25 V C 0.440 176.542 176.094 0.015 0.000 1.072 25 V CA 1.995 64.303 62.300 0.012 0.000 1.084 25 V CB -0.792 31.034 31.823 0.004 0.000 0.676 25 V HN 0.607 nan 8.190 nan 0.000 0.469 26 D N 0.353 120.761 120.400 0.015 0.000 2.319 26 D HA 0.043 4.683 4.640 0.000 0.000 0.230 26 D C 0.854 177.168 176.300 0.023 0.000 1.094 26 D CA 0.272 54.282 54.000 0.016 0.000 0.856 26 D CB -0.298 40.510 40.800 0.013 0.000 0.915 26 D HN 0.537 nan 8.370 nan 0.000 0.517 27 N N 0.468 119.184 118.700 0.027 0.000 2.758 27 N HA -0.176 4.565 4.740 0.000 0.000 0.248 27 N C -1.326 174.200 175.510 0.027 0.000 1.076 27 N CA 0.218 53.288 53.050 0.033 0.000 0.696 27 N CB -1.321 37.196 38.487 0.050 0.000 0.979 27 N HN -0.020 nan 8.380 nan 0.000 0.550 28 V N 1.908 121.837 119.914 0.025 0.000 2.495 28 V HA 0.406 4.527 4.120 0.000 0.000 0.298 28 V C 0.186 176.336 176.094 0.093 0.000 1.031 28 V CA -0.901 61.428 62.300 0.048 0.000 0.871 28 V CB 1.423 33.264 31.823 0.030 0.000 0.988 28 V HN 0.202 nan 8.190 nan 0.000 0.432 29 F N 5.585 125.486 119.950 -0.082 0.000 2.567 29 F HA 0.289 4.816 4.527 0.001 0.000 0.352 29 F C 1.567 177.334 175.800 -0.055 0.000 1.229 29 F CA -1.465 56.477 58.000 -0.096 0.000 1.228 29 F CB -0.045 38.895 39.000 -0.099 0.000 1.568 29 F HN 0.803 nan 8.300 nan 0.000 0.634 30 E N 0.514 120.731 120.200 0.029 0.000 2.204 30 E HA -0.207 4.144 4.350 0.000 0.000 0.195 30 E C -0.137 176.343 176.600 -0.200 0.000 0.990 30 E CA 1.218 57.566 56.400 -0.087 0.000 0.821 30 E CB -0.056 29.632 29.700 -0.021 0.000 0.750 30 E HN 0.435 nan 8.360 nan 0.000 0.477 31 D N 0.026 120.257 120.400 -0.282 0.000 2.621 31 D HA 0.202 4.842 4.640 0.000 0.000 0.274 31 D C -2.202 173.865 176.300 -0.387 0.000 1.215 31 D CA -2.327 51.511 54.000 -0.270 0.000 0.810 31 D CB 1.366 42.107 40.800 -0.098 0.000 1.248 31 D HN -0.209 nan 8.370 nan 0.000 0.517 32 P HA -0.047 nan 4.420 nan 0.000 0.216 32 P C 0.804 178.016 177.300 -0.146 0.000 1.153 32 P CA 0.780 63.547 63.100 -0.556 0.000 0.848 32 P CB 0.458 31.800 31.700 -0.597 0.000 0.787 33 D N -0.757 119.559 120.400 -0.139 0.000 2.097 33 D HA -0.093 4.548 4.640 0.000 0.000 0.197 33 D C 2.279 178.556 176.300 -0.038 0.000 0.984 33 D CA 1.721 55.682 54.000 -0.065 0.000 0.826 33 D CB -1.232 39.529 40.800 -0.066 0.000 0.973 33 D HN 0.133 nan 8.370 nan 0.000 0.460 34 G N 0.798 109.570 108.800 -0.047 0.000 2.418 34 G HA2 -0.213 3.747 3.960 0.000 0.000 0.217 34 G HA3 -0.213 3.747 3.960 0.000 0.000 0.217 34 G C 1.591 176.495 174.900 0.006 0.000 1.158 34 G CA 0.518 45.604 45.100 -0.024 0.000 0.771 34 G HN 0.212 nan 8.290 nan 0.000 0.545 35 L N 0.830 122.076 121.223 0.040 0.000 2.056 35 L HA 0.107 4.447 4.340 0.000 0.000 0.207 35 L C 2.674 179.592 176.870 0.081 0.000 1.078 35 L CA 2.335 57.232 54.840 0.094 0.000 0.749 35 L CB -0.586 41.601 42.059 0.214 0.000 0.901 35 L HN 0.258 nan 8.230 nan 0.000 0.433 36 K N -0.380 120.066 120.400 0.077 0.000 2.044 36 K HA -0.259 4.061 4.320 0.000 0.000 0.210 36 K C 1.938 178.558 176.600 0.033 0.000 1.049 36 K CA 2.107 58.433 56.287 0.065 0.000 0.927 36 K CB -0.209 32.322 32.500 0.053 0.000 0.713 36 K HN 0.490 nan 8.250 nan 0.000 0.443 37 E N 0.355 120.562 120.200 0.011 0.000 2.049 37 E HA -0.259 4.091 4.350 0.000 0.000 0.198 37 E C 2.311 178.897 176.600 -0.024 0.000 1.007 37 E CA 1.822 58.215 56.400 -0.011 0.000 0.809 37 E CB -0.085 29.600 29.700 -0.026 0.000 0.749 37 E HN 0.455 nan 8.360 nan 0.000 0.450 38 Q N 0.019 119.805 119.800 -0.023 0.000 2.096 38 Q HA -0.191 4.149 4.340 0.000 0.000 0.204 38 Q C 2.240 178.234 176.000 -0.010 0.000 0.982 38 Q CA 0.948 56.725 55.803 -0.042 0.000 0.850 38 Q CB -0.079 28.647 28.738 -0.021 0.000 0.901 38 Q HN 0.166 nan 8.270 nan 0.000 0.422 39 L N 0.361 121.603 121.223 0.031 0.000 2.083 39 L HA -0.163 4.177 4.340 0.000 0.000 0.209 39 L C 2.085 178.981 176.870 0.043 0.000 1.083 39 L CA 1.577 56.449 54.840 0.054 0.000 0.752 39 L CB -0.746 41.356 42.059 0.073 0.000 0.899 39 L HN 0.253 nan 8.230 nan 0.000 0.433 40 L N -1.505 119.735 121.223 0.028 0.000 2.201 40 L HA -0.210 4.131 4.340 0.000 0.000 0.212 40 L C 2.507 179.394 176.870 0.029 0.000 1.105 40 L CA 0.869 55.724 54.840 0.024 0.000 0.775 40 L CB -0.394 41.675 42.059 0.017 0.000 0.913 40 L HN 0.402 nan 8.230 nan 0.000 0.440 41 Q N -0.142 119.657 119.800 -0.002 0.000 2.119 41 Q HA -0.192 4.148 4.340 0.000 0.000 0.201 41 Q C 2.218 178.323 176.000 0.175 0.000 0.972 41 Q CA 1.053 56.844 55.803 -0.020 0.000 0.847 41 Q CB 0.148 28.724 28.738 -0.268 0.000 0.903 41 Q HN 0.306 nan 8.270 nan 0.000 0.433 42 L N 0.664 121.983 121.223 0.160 0.000 2.131 42 L HA -0.143 4.197 4.340 0.000 0.000 0.210 42 L C 2.264 179.236 176.870 0.171 0.000 1.092 42 L CA 1.533 56.539 54.840 0.276 0.000 0.759 42 L CB -0.506 41.660 42.059 0.178 0.000 0.903 42 L HN 0.138 nan 8.230 nan 0.000 0.435 43 R N -0.890 119.656 120.500 0.076 0.000 2.090 43 R HA 0.026 4.366 4.340 0.000 0.000 0.228 43 R C 2.118 178.417 176.300 -0.001 0.000 1.110 43 R CA 1.164 57.250 56.100 -0.023 0.000 0.973 43 R CB -0.708 29.574 30.300 -0.031 0.000 0.869 43 R HN 0.354 nan 8.270 nan 0.000 0.440 44 A N 0.941 123.812 122.820 0.085 0.000 2.019 44 A HA -0.063 4.257 4.320 0.000 0.000 0.219 44 A C 2.103 179.735 177.584 0.080 0.000 1.164 44 A CA 1.711 53.808 52.037 0.099 0.000 0.644 44 A CB -0.282 18.815 19.000 0.162 0.000 0.805 44 A HN 0.330 nan 8.150 nan 0.000 0.449 45 A N -1.980 120.904 122.820 0.107 0.000 2.251 45 A HA 0.423 4.744 4.320 0.000 0.000 0.209 45 A C 1.775 179.291 177.584 -0.113 0.000 1.187 45 A CA 1.130 53.131 52.037 -0.060 0.000 0.823 45 A CB -0.814 18.128 19.000 -0.097 0.000 0.846 45 A HN 1.846 nan 8.150 nan 0.000 0.486 46 G N -0.967 107.787 108.800 -0.078 0.000 2.143 46 G HA2 -0.212 3.748 3.960 0.000 0.000 0.248 46 G HA3 -0.212 3.748 3.960 0.000 0.000 0.248 46 G C 0.260 175.122 174.900 -0.064 0.000 0.991 46 G CA 0.157 45.203 45.100 -0.090 0.000 0.689 46 G HN 0.771 nan 8.290 nan 0.000 0.522 47 V N 0.444 120.308 119.914 -0.083 0.000 2.694 47 V HA 0.110 4.230 4.120 0.000 0.000 0.306 47 V C 1.619 177.673 176.094 -0.067 0.000 1.054 47 V CA 1.381 63.656 62.300 -0.042 0.000 1.161 47 V CB 0.902 32.780 31.823 0.090 0.000 0.916 47 V HN 0.449 nan 8.190 nan 0.000 0.490 48 D N 2.105 122.474 120.400 -0.052 0.000 2.162 48 D HA 0.266 4.907 4.640 0.000 0.000 0.203 48 D C 0.847 177.128 176.300 -0.032 0.000 0.967 48 D CA 1.417 55.417 54.000 0.001 0.000 0.840 48 D CB 0.140 40.857 40.800 -0.139 0.000 0.972 48 D HN 0.786 nan 8.370 nan 0.000 0.482 49 G N -1.073 107.664 108.800 -0.105 0.000 2.619 49 G HA2 0.520 4.481 3.960 0.000 0.000 0.305 49 G HA3 0.520 4.481 3.960 0.000 0.000 0.305 49 G C -1.591 173.513 174.900 0.340 0.000 1.330 49 G CA -0.281 44.964 45.100 0.242 0.000 0.789 49 G HN 0.231 nan 8.290 nan 0.000 0.487 50 V N -2.821 117.305 119.914 0.355 0.000 3.102 50 V HA 0.913 5.033 4.120 0.000 0.000 0.312 50 V C -0.441 175.791 176.094 0.230 0.000 1.135 50 V CA -1.076 61.393 62.300 0.281 0.000 1.022 50 V CB 2.002 33.941 31.823 0.192 0.000 1.056 50 V HN 1.099 nan 8.190 nan 0.000 0.436 51 M N 2.614 122.327 119.600 0.188 0.000 2.393 51 M HA 0.850 5.330 4.480 0.000 0.000 0.316 51 M C -1.991 174.389 176.300 0.133 0.000 1.087 51 M CA -0.712 54.664 55.300 0.126 0.000 0.937 51 M CB 1.984 34.648 32.600 0.107 0.000 1.668 51 M HN 0.875 nan 8.290 nan 0.000 0.438 52 V N 4.728 124.724 119.914 0.137 0.000 2.841 52 V HA 0.512 4.632 4.120 0.000 0.000 0.310 52 V C -1.570 174.626 176.094 0.170 0.000 1.090 52 V CA -0.590 61.820 62.300 0.182 0.000 0.930 52 V CB 2.459 34.447 31.823 0.274 0.000 1.014 52 V HN 0.956 nan 8.190 nan 0.000 0.425 53 D N 5.577 126.079 120.400 0.171 0.000 2.280 53 D HA 0.231 4.872 4.640 0.000 0.000 0.243 53 D C -0.287 176.124 176.300 0.184 0.000 1.129 53 D CA -0.246 53.830 54.000 0.126 0.000 0.848 53 D CB 1.820 42.678 40.800 0.097 0.000 1.107 53 D HN 0.245 nan 8.370 nan 0.000 0.471 54 V N 4.036 123.970 119.914 0.034 0.000 2.284 54 V HA 0.108 4.228 4.120 0.000 0.000 0.260 54 V C 0.794 176.875 176.094 -0.022 0.000 1.084 54 V CA -0.778 61.421 62.300 -0.170 0.000 0.894 54 V CB -0.148 31.535 31.823 -0.234 0.000 1.119 54 V HN 0.328 nan 8.190 nan 0.000 0.484 55 R N 2.951 123.519 120.500 0.114 0.000 2.404 55 R HA -0.039 4.301 4.340 0.000 0.000 0.315 55 R C 0.902 177.307 176.300 0.175 0.000 1.032 55 R CA -0.207 55.948 56.100 0.092 0.000 0.992 55 R CB 0.396 30.761 30.300 0.109 0.000 0.959 55 R HN 0.845 nan 8.270 nan 0.000 0.428 56 W N 4.952 126.154 121.300 -0.163 0.000 2.342 56 W HA -0.089 4.573 4.660 0.003 0.000 0.297 56 W C 1.634 178.179 176.519 0.044 0.000 1.213 56 W CA 1.811 59.079 57.345 -0.128 0.000 1.251 56 W CB -0.410 28.878 29.460 -0.288 0.000 1.136 56 W HN 0.723 nan 8.180 nan 0.000 0.526 57 G N 0.356 109.114 108.800 -0.070 0.000 2.498 57 G HA2 -0.199 3.761 3.960 0.000 0.000 0.219 57 G HA3 -0.199 3.761 3.960 0.000 0.000 0.219 57 G C 1.505 176.353 174.900 -0.086 0.000 1.119 57 G CA 1.207 46.172 45.100 -0.224 0.000 0.766 57 G HN 0.385 nan 8.290 nan 0.000 0.552 58 I N 0.187 120.778 120.570 0.035 0.000 2.556 58 I HA 0.047 4.217 4.170 0.000 0.000 0.251 58 I C 2.319 178.488 176.117 0.087 0.000 1.105 58 I CA 0.015 61.363 61.300 0.080 0.000 1.436 58 I CB -0.002 38.100 38.000 0.170 0.000 1.139 58 I HN -0.011 nan 8.210 nan 0.000 0.438 59 I N 0.856 121.503 120.570 0.128 0.000 2.142 59 I HA -0.250 3.921 4.170 0.000 0.000 0.240 59 I C 1.954 178.125 176.117 0.091 0.000 1.078 59 I CA 1.694 63.005 61.300 0.019 0.000 1.343 59 I CB -1.027 36.896 38.000 -0.129 0.000 1.046 59 I HN 0.315 nan 8.210 nan 0.000 0.405 60 E N 0.905 121.269 120.200 0.274 0.000 2.411 60 E HA 0.013 4.364 4.350 0.000 0.000 0.204 60 E C 1.631 178.368 176.600 0.228 0.000 1.059 60 E CA -0.224 56.355 56.400 0.299 0.000 1.112 60 E CB 0.093 30.206 29.700 0.689 0.000 1.168 60 E HN 0.184 nan 8.360 nan 0.000 0.445 61 L N 0.966 122.247 121.223 0.097 0.000 2.017 61 L HA -0.132 4.209 4.340 0.000 0.000 0.208 61 L C 2.098 179.059 176.870 0.152 0.000 1.073 61 L CA 1.861 56.753 54.840 0.086 0.000 0.745 61 L CB -0.382 41.691 42.059 0.023 0.000 0.894 61 L HN 0.069 nan 8.230 nan 0.000 0.432 62 K N -0.144 120.291 120.400 0.059 0.000 2.034 62 K HA 0.031 4.351 4.320 0.000 0.000 0.214 62 K C 0.774 177.342 176.600 -0.052 0.000 1.051 62 K CA 1.460 57.748 56.287 0.002 0.000 0.931 62 K CB -0.589 31.881 32.500 -0.051 0.000 0.715 62 K HN 0.595 nan 8.250 nan 0.000 0.446 63 G N -2.583 106.103 108.800 -0.190 0.000 2.320 63 G HA2 0.256 4.216 3.960 0.000 0.000 0.296 63 G HA3 0.256 4.216 3.960 0.000 0.000 0.296 63 G C -2.988 171.385 174.900 -0.877 0.000 1.306 63 G CA -1.054 43.644 45.100 -0.671 0.000 0.836 63 G HN -0.147 nan 8.290 nan 0.000 0.517 64 P HA 0.218 nan 4.420 nan 0.000 0.260 64 P C 0.044 177.060 177.300 -0.475 0.000 1.185 64 P CA 0.667 63.250 63.100 -0.862 0.000 0.763 64 P CB 0.372 31.612 31.700 -0.767 0.000 0.776 65 K N 0.738 120.880 120.400 -0.431 0.000 3.274 65 K HA -0.249 4.071 4.320 0.000 0.000 0.300 65 K C -0.166 175.972 176.600 -0.770 0.000 1.230 65 K CA 0.836 56.736 56.287 -0.643 0.000 0.884 65 K CB -1.400 30.980 32.500 -0.200 0.000 1.242 65 K HN 0.630 nan 8.250 nan 0.000 0.467 66 Q N 0.910 120.318 119.800 -0.654 0.000 2.655 66 Q HA 0.191 4.532 4.340 0.000 0.000 0.228 66 Q C -1.034 174.754 176.000 -0.352 0.000 1.186 66 Q CA -0.371 55.199 55.803 -0.387 0.000 1.004 66 Q CB 0.355 28.945 28.738 -0.247 0.000 1.242 66 Q HN 0.116 nan 8.270 nan 0.000 0.558 67 Y N 0.208 120.471 120.300 -0.062 0.000 2.320 67 Y HA 0.315 4.865 4.550 0.000 0.000 0.324 67 Y C 0.357 176.089 175.900 -0.281 0.000 1.190 67 Y CA -1.150 56.793 58.100 -0.262 0.000 1.215 67 Y CB 0.921 39.153 38.460 -0.380 0.000 1.221 67 Y HN 0.295 nan 8.280 nan 0.000 0.486 68 D N 1.542 121.797 120.400 -0.241 0.000 2.402 68 D HA 0.182 4.822 4.640 0.000 0.000 0.252 68 D C -1.082 175.155 176.300 -0.104 0.000 1.294 68 D CA -0.822 53.121 54.000 -0.095 0.000 0.948 68 D CB 0.230 41.022 40.800 -0.013 0.000 1.202 68 D HN 0.584 nan 8.370 nan 0.000 0.561 69 W N 3.525 124.905 121.300 0.133 0.000 3.278 69 W HA 0.154 4.816 4.660 0.002 0.000 0.308 69 W C 2.085 178.656 176.519 0.087 0.000 1.253 69 W CA -0.555 56.854 57.345 0.105 0.000 1.759 69 W CB 0.374 29.855 29.460 0.035 0.000 1.093 69 W HN 0.248 nan 8.180 nan 0.000 0.648 70 R N 0.988 121.646 120.500 0.263 0.000 2.097 70 R HA -0.167 4.173 4.340 0.000 0.000 0.236 70 R C 2.229 178.606 176.300 0.129 0.000 1.135 70 R CA 1.654 57.862 56.100 0.180 0.000 0.934 70 R CB -1.576 28.806 30.300 0.136 0.000 0.846 70 R HN 0.213 nan 8.270 nan 0.000 0.431 71 A N 1.380 124.259 122.820 0.099 0.000 1.903 71 A HA -0.227 4.093 4.320 0.000 0.000 0.219 71 A C 2.169 179.644 177.584 -0.183 0.000 1.191 71 A CA 1.641 53.681 52.037 0.006 0.000 0.638 71 A CB -0.975 18.002 19.000 -0.037 0.000 0.823 71 A HN 0.412 nan 8.150 nan 0.000 0.451 72 Y N -0.436 119.758 120.300 -0.177 0.000 2.274 72 Y HA -0.146 4.405 4.550 0.001 0.000 0.290 72 Y C 2.693 178.146 175.900 -0.745 0.000 1.145 72 Y CA 1.712 59.509 58.100 -0.505 0.000 1.203 72 Y CB -0.206 38.020 38.460 -0.390 0.000 0.984 72 Y HN 0.237 nan 8.280 nan 0.000 0.533 73 R N -0.718 119.681 120.500 -0.168 0.000 2.081 73 R HA -0.143 4.197 4.340 0.000 0.000 0.235 73 R C 2.341 178.657 176.300 0.027 0.000 1.131 73 R CA 1.592 57.691 56.100 -0.003 0.000 0.960 73 R CB -0.440 30.003 30.300 0.238 0.000 0.856 73 R HN 0.217 nan 8.270 nan 0.000 0.436 74 S N 1.358 117.071 115.700 0.022 0.000 2.382 74 S HA -0.110 4.360 4.470 0.000 0.000 0.228 74 S C 1.861 176.444 174.600 -0.029 0.000 1.027 74 S CA 0.803 59.071 58.200 0.113 0.000 0.991 74 S CB -0.197 63.162 63.200 0.264 0.000 0.823 74 S HN 0.292 nan 8.310 nan 0.000 0.469 75 L N 0.412 121.367 121.223 -0.446 0.000 1.994 75 L HA -0.115 4.225 4.340 0.000 0.000 0.208 75 L C 2.077 178.862 176.870 -0.141 0.000 1.071 75 L CA 1.723 56.171 54.840 -0.653 0.000 0.745 75 L CB -0.406 41.153 42.059 -0.834 0.000 0.892 75 L HN 0.225 nan 8.230 nan 0.000 0.431 76 F N 0.496 120.245 119.950 -0.336 0.000 2.126 76 F HA -0.285 4.243 4.527 0.002 0.000 0.299 76 F C 2.765 178.343 175.800 -0.370 0.000 1.096 76 F CA 1.572 59.250 58.000 -0.537 0.000 1.255 76 F CB -1.323 36.910 39.000 -1.278 0.000 0.997 76 F HN 0.255 nan 8.300 nan 0.000 0.479 77 Q N 0.588 120.426 119.800 0.063 0.000 2.061 77 Q HA -0.203 4.138 4.340 0.000 0.000 0.204 77 Q C 2.157 178.283 176.000 0.209 0.000 0.984 77 Q CA 1.533 57.521 55.803 0.309 0.000 0.846 77 Q CB -0.815 28.128 28.738 0.341 0.000 0.902 77 Q HN 0.375 nan 8.270 nan 0.000 0.421 78 L N -0.658 120.669 121.223 0.173 0.000 2.046 78 L HA -0.098 4.243 4.340 0.000 0.000 0.208 78 L C 2.108 179.060 176.870 0.136 0.000 1.077 78 L CA 1.535 56.478 54.840 0.172 0.000 0.747 78 L CB -0.776 41.426 42.059 0.238 0.000 0.896 78 L HN 0.165 nan 8.230 nan 0.000 0.432 79 V N -0.146 119.836 119.914 0.113 0.000 2.287 79 V HA -0.370 3.751 4.120 0.000 0.000 0.248 79 V C 2.619 178.772 176.094 0.099 0.000 1.053 79 V CA 2.161 64.519 62.300 0.097 0.000 1.027 79 V CB -0.798 31.072 31.823 0.078 0.000 0.646 79 V HN 0.690 nan 8.190 nan 0.000 0.447 80 Q N -0.038 119.830 119.800 0.114 0.000 2.096 80 Q HA -0.283 4.057 4.340 0.000 0.000 0.204 80 Q C 2.196 178.271 176.000 0.125 0.000 0.982 80 Q CA 2.256 58.142 55.803 0.138 0.000 0.850 80 Q CB -0.149 28.723 28.738 0.222 0.000 0.901 80 Q HN 0.737 nan 8.270 nan 0.000 0.422 81 E N -0.620 119.657 120.200 0.129 0.000 2.110 81 E HA -0.176 4.175 4.350 0.000 0.000 0.193 81 E C 1.816 178.467 176.600 0.085 0.000 0.988 81 E CA 1.240 57.704 56.400 0.106 0.000 0.804 81 E CB -0.015 29.751 29.700 0.110 0.000 0.745 81 E HN 0.420 nan 8.360 nan 0.000 0.458 82 C N 0.406 119.756 119.300 0.084 0.000 2.539 82 C HA 0.191 4.652 4.460 0.000 0.000 0.271 82 C C 1.527 176.548 174.990 0.052 0.000 1.412 82 C CA 0.415 59.472 59.018 0.065 0.000 1.729 82 C CB -1.298 26.483 27.740 0.068 0.000 1.739 82 C HN 0.679 nan 8.230 nan 0.000 0.570 83 G N 0.521 109.360 108.800 0.066 0.000 2.198 83 G HA2 -0.177 3.784 3.960 0.000 0.000 0.257 83 G HA3 -0.177 3.784 3.960 0.000 0.000 0.257 83 G C -0.332 174.604 174.900 0.062 0.000 1.042 83 G CA -0.139 44.999 45.100 0.065 0.000 0.791 83 G HN 0.378 nan 8.290 nan 0.000 0.502 84 L N 0.461 121.730 121.223 0.075 0.000 2.333 84 L HA 0.751 5.092 4.340 0.000 0.000 0.269 84 L C 1.207 178.149 176.870 0.120 0.000 1.010 84 L CA 0.007 54.902 54.840 0.091 0.000 0.818 84 L CB 1.296 43.406 42.059 0.086 0.000 1.306 84 L HN 0.418 nan 8.230 nan 0.000 0.430 85 T N -0.391 114.263 114.554 0.167 0.000 2.862 85 T HA 0.742 5.092 4.350 0.000 0.000 0.276 85 T C -0.323 174.475 174.700 0.162 0.000 0.974 85 T CA -0.697 61.504 62.100 0.168 0.000 0.966 85 T CB 2.063 71.073 68.868 0.237 0.000 1.072 85 T HN 0.489 nan 8.240 nan 0.000 0.538 86 L N -0.197 121.071 121.223 0.075 0.000 2.445 86 L HA 0.494 4.834 4.340 0.000 0.000 0.262 86 L C -1.251 175.591 176.870 -0.048 0.000 0.974 86 L CA -0.763 54.088 54.840 0.018 0.000 0.822 86 L CB 2.267 44.258 42.059 -0.113 0.000 1.339 86 L HN 0.750 nan 8.230 nan 0.000 0.409 87 Q N 3.431 123.204 119.800 -0.045 0.000 2.347 87 Q HA 0.659 5.000 4.340 0.000 0.000 0.262 87 Q C -0.809 175.154 176.000 -0.062 0.000 0.980 87 Q CA -0.617 55.123 55.803 -0.106 0.000 0.867 87 Q CB 2.107 30.746 28.738 -0.165 0.000 1.242 87 Q HN 0.690 nan 8.270 nan 0.000 0.453 88 A N 4.227 126.986 122.820 -0.100 0.000 2.288 88 A HA 0.577 4.897 4.320 0.000 0.000 0.320 88 A C -0.463 177.034 177.584 -0.145 0.000 1.217 88 A CA -0.593 51.395 52.037 -0.081 0.000 0.840 88 A CB 0.410 19.360 19.000 -0.083 0.000 1.179 88 A HN 0.769 nan 8.150 nan 0.000 0.504 89 I N 3.379 123.897 120.570 -0.087 0.000 2.331 89 I HA 0.197 4.367 4.170 0.000 0.000 0.292 89 I C -0.076 175.942 176.117 -0.165 0.000 0.998 89 I CA -0.408 60.834 61.300 -0.097 0.000 1.267 89 I CB 1.448 39.439 38.000 -0.015 0.000 1.386 89 I HN 0.504 nan 8.210 nan 0.000 0.476 90 M N 5.222 124.690 119.600 -0.219 0.000 2.497 90 M HA 0.163 4.643 4.480 0.000 0.000 0.336 90 M C -0.148 175.812 176.300 -0.567 0.000 1.378 90 M CA 0.093 55.154 55.300 -0.399 0.000 1.375 90 M CB -0.316 32.122 32.600 -0.270 0.000 1.337 90 M HN 0.402 nan 8.290 nan 0.000 0.461 91 S N 3.395 118.838 115.700 -0.430 0.000 2.681 91 S HA 0.309 4.779 4.470 0.000 0.000 0.313 91 S C 0.299 174.716 174.600 -0.304 0.000 1.137 91 S CA -0.427 57.641 58.200 -0.219 0.000 1.045 91 S CB -0.543 62.558 63.200 -0.165 0.000 1.208 91 S HN 0.409 nan 8.310 nan 0.000 0.523 92 F N 3.333 123.342 119.950 0.098 0.000 2.777 92 F HA 0.188 4.715 4.527 0.000 0.000 0.291 92 F C 1.441 177.507 175.800 0.445 0.000 1.187 92 F CA -0.493 57.565 58.000 0.097 0.000 1.406 92 F CB -0.276 38.476 39.000 -0.414 0.000 0.982 92 F HN 0.582 nan 8.300 nan 0.000 0.509 93 H N -1.663 117.632 119.070 0.374 0.000 2.907 93 H HA 0.391 4.948 4.556 0.001 0.000 0.361 93 H C -0.757 174.697 175.328 0.210 0.000 1.194 93 H CA -1.241 55.022 56.048 0.357 0.000 1.152 93 H CB 0.817 30.738 29.762 0.267 0.000 1.867 93 H HN 0.163 nan 8.280 nan 0.000 0.561 94 Q N 0.421 120.341 119.800 0.201 0.000 2.394 94 Q HA 0.328 4.668 4.340 0.000 0.000 0.248 94 Q C -0.932 175.082 176.000 0.022 0.000 0.992 94 Q CA -0.382 55.460 55.803 0.065 0.000 0.888 94 Q CB 0.852 29.643 28.738 0.087 0.000 1.257 94 Q HN 0.599 nan 8.270 nan 0.000 0.462 95 C N 3.376 122.667 119.300 -0.014 0.000 2.417 95 C HA 0.808 5.268 4.460 0.000 0.000 0.324 95 C C 0.818 175.815 174.990 0.012 0.000 1.240 95 C CA 0.814 59.831 59.018 -0.002 0.000 1.632 95 C CB -0.088 27.637 27.740 -0.026 0.000 2.241 95 C HN 1.135 nan 8.230 nan 0.000 0.499 96 G N 3.682 112.495 108.800 0.023 0.000 2.582 96 G HA2 0.260 4.221 3.960 0.000 0.000 0.288 96 G HA3 0.260 4.221 3.960 0.000 0.000 0.288 96 G C 1.069 175.974 174.900 0.008 0.000 1.247 96 G CA 1.076 46.184 45.100 0.015 0.000 0.972 96 G HN 2.710 nan 8.290 nan 0.000 0.557 97 G N -1.671 107.130 108.800 0.001 0.000 2.194 97 G HA2 -0.237 3.723 3.960 0.000 0.000 0.236 97 G HA3 -0.237 3.723 3.960 0.000 0.000 0.236 97 G C 0.146 175.042 174.900 -0.007 0.000 0.987 97 G CA 1.067 46.163 45.100 -0.006 0.000 0.635 97 G HN 1.302 nan 8.290 nan 0.000 0.520 98 N N -0.194 118.505 118.700 -0.001 0.000 2.456 98 N HA 0.522 5.262 4.740 0.000 0.000 0.296 98 N C 0.360 175.870 175.510 0.000 0.000 1.102 98 N CA -0.777 52.273 53.050 -0.000 0.000 0.924 98 N CB 2.236 40.727 38.487 0.006 0.000 1.186 98 N HN 0.042 nan 8.380 nan 0.000 0.492 99 V N 1.754 121.668 119.914 -0.001 0.000 2.681 99 V HA -0.013 4.108 4.120 0.000 0.000 0.306 99 V C 1.491 177.585 176.094 0.001 0.000 1.077 99 V CA 1.694 63.993 62.300 -0.001 0.000 1.224 99 V CB -0.061 31.760 31.823 -0.002 0.000 0.879 99 V HN 1.133 nan 8.190 nan 0.000 0.494 100 G N 3.774 112.574 108.800 0.000 0.000 2.241 100 G HA2 -0.204 3.756 3.960 0.000 0.000 0.244 100 G HA3 -0.204 3.756 3.960 0.000 0.000 0.244 100 G C -0.034 174.868 174.900 0.003 0.000 0.998 100 G CA 0.071 45.172 45.100 0.001 0.000 0.621 100 G HN 0.696 nan 8.290 nan 0.000 0.519 101 D N 0.835 121.238 120.400 0.004 0.000 2.417 101 D HA 0.392 5.032 4.640 0.000 0.000 0.250 101 D C 2.040 178.343 176.300 0.005 0.000 1.166 101 D CA 0.356 54.360 54.000 0.006 0.000 0.881 101 D CB 0.691 41.495 40.800 0.007 0.000 1.164 101 D HN 0.547 nan 8.370 nan 0.000 0.467 102 I N -0.410 120.165 120.570 0.007 0.000 2.585 102 I HA 0.007 4.177 4.170 0.000 0.000 0.254 102 I C 0.505 176.626 176.117 0.007 0.000 1.129 102 I CA 0.271 61.575 61.300 0.006 0.000 1.455 102 I CB 0.160 38.164 38.000 0.007 0.000 1.111 102 I HN -0.076 nan 8.210 nan 0.000 0.433 103 V N 4.808 124.728 119.914 0.010 0.000 2.320 103 V HA 0.301 4.422 4.120 0.000 0.000 0.265 103 V C -0.846 175.252 176.094 0.008 0.000 1.048 103 V CA -0.355 61.952 62.300 0.011 0.000 0.865 103 V CB 0.002 31.836 31.823 0.017 0.000 1.043 103 V HN 0.359 nan 8.190 nan 0.000 0.474 104 N N 6.454 125.156 118.700 0.003 0.000 2.476 104 N HA 0.588 5.329 4.740 0.000 0.000 0.257 104 N C -0.824 174.681 175.510 -0.008 0.000 0.970 104 N CA -0.238 52.811 53.050 -0.002 0.000 0.938 104 N CB 2.543 41.028 38.487 -0.004 0.000 1.144 104 N HN 0.506 nan 8.380 nan 0.000 0.500 105 I N 3.292 123.854 120.570 -0.013 0.000 2.517 105 I HA 0.268 4.439 4.170 0.000 0.000 0.280 105 I C -2.307 173.786 176.117 -0.040 0.000 1.061 105 I CA -1.695 59.590 61.300 -0.025 0.000 1.091 105 I CB 2.528 40.517 38.000 -0.018 0.000 1.205 105 I HN 0.145 nan 8.210 nan 0.000 0.459 106 P HA 0.302 nan 4.420 nan 0.000 0.277 106 P C 0.016 177.245 177.300 -0.118 0.000 1.271 106 P CA -0.388 62.676 63.100 -0.059 0.000 0.795 106 P CB 1.153 32.818 31.700 -0.059 0.000 1.101 107 I N -3.255 117.235 120.570 -0.134 0.000 3.194 107 I HA 0.274 4.444 4.170 0.000 0.000 0.283 107 I C -2.306 173.499 176.117 -0.519 0.000 1.199 107 I CA -2.497 58.601 61.300 -0.336 0.000 1.328 107 I CB -1.236 36.626 38.000 -0.231 0.000 1.404 107 I HN 0.086 nan 8.210 nan 0.000 0.618 108 P HA -0.096 nan 4.420 nan 0.000 0.261 108 P C -0.028 176.923 177.300 -0.582 0.000 1.165 108 P CA 0.447 63.061 63.100 -0.810 0.000 0.759 108 P CB 0.451 31.352 31.700 -1.332 0.000 0.772 109 Q N 4.938 124.584 119.800 -0.256 0.000 2.181 109 Q HA -0.173 4.168 4.340 0.000 0.000 0.205 109 Q C 1.495 177.490 176.000 -0.008 0.000 0.980 109 Q CA 1.895 57.645 55.803 -0.089 0.000 0.862 109 Q CB -0.545 28.200 28.738 0.011 0.000 0.905 109 Q HN 0.688 nan 8.270 nan 0.000 0.429 110 W N -1.461 119.833 121.300 -0.009 0.000 2.465 110 W HA 0.023 4.682 4.660 -0.002 0.000 0.268 110 W C 1.089 177.673 176.519 0.107 0.000 1.242 110 W CA 0.745 58.130 57.345 0.068 0.000 1.248 110 W CB -0.628 28.881 29.460 0.081 0.000 1.118 110 W HN -0.013 nan 8.180 nan 0.000 0.587 111 V N 2.183 121.786 119.914 -0.519 0.000 2.446 111 V HA -0.234 3.886 4.120 0.000 0.000 0.244 111 V C 2.674 178.727 176.094 -0.068 0.000 1.039 111 V CA 1.308 63.350 62.300 -0.431 0.000 1.045 111 V CB -0.766 30.556 31.823 -0.834 0.000 0.681 111 V HN 0.080 nan 8.190 nan 0.000 0.459 112 L N -0.125 121.068 121.223 -0.050 0.000 2.131 112 L HA -0.171 4.170 4.340 0.000 0.000 0.210 112 L C 2.342 179.314 176.870 0.169 0.000 1.092 112 L CA 1.362 56.290 54.840 0.146 0.000 0.759 112 L CB -0.742 41.369 42.059 0.087 0.000 0.903 112 L HN 0.349 nan 8.230 nan 0.000 0.435 113 D N 0.466 120.948 120.400 0.136 0.000 2.117 113 D HA -0.164 4.476 4.640 0.000 0.000 0.197 113 D C 2.271 178.658 176.300 0.144 0.000 0.987 113 D CA 1.323 55.415 54.000 0.153 0.000 0.829 113 D CB -0.031 40.880 40.800 0.185 0.000 0.961 113 D HN 0.344 nan 8.370 nan 0.000 0.460 114 I N 0.846 121.501 120.570 0.142 0.000 2.315 114 I HA -0.138 4.032 4.170 0.000 0.000 0.248 114 I C 2.495 178.643 176.117 0.053 0.000 1.117 114 I CA 1.079 62.424 61.300 0.075 0.000 1.404 114 I CB -0.373 37.679 38.000 0.086 0.000 1.071 114 I HN 0.000 nan 8.210 nan 0.000 0.419 115 G N 0.416 109.279 108.800 0.105 0.000 2.448 115 G HA2 -0.212 3.748 3.960 0.000 0.000 0.219 115 G HA3 -0.212 3.748 3.960 0.000 0.000 0.219 115 G C 1.469 176.564 174.900 0.326 0.000 1.127 115 G CA 0.422 45.605 45.100 0.140 0.000 0.766 115 G HN 0.422 nan 8.290 nan 0.000 0.552 116 E N 0.580 120.944 120.200 0.273 0.000 2.204 116 E HA -0.104 4.246 4.350 0.000 0.000 0.195 116 E C 2.735 179.401 176.600 0.110 0.000 0.990 116 E CA 1.295 57.864 56.400 0.283 0.000 0.821 116 E CB 0.013 29.829 29.700 0.194 0.000 0.750 116 E HN 0.619 nan 8.360 nan 0.000 0.477 117 S N -0.367 115.339 115.700 0.010 0.000 2.486 117 S HA -0.016 4.454 4.470 0.000 0.000 0.220 117 S C 0.724 175.211 174.600 -0.189 0.000 1.011 117 S CA -0.170 57.976 58.200 -0.090 0.000 0.921 117 S CB 0.091 63.268 63.200 -0.038 0.000 0.785 117 S HN 0.119 nan 8.310 nan 0.000 0.517 118 N N 0.224 118.835 118.700 -0.148 0.000 2.690 118 N HA 0.230 4.970 4.740 0.000 0.000 0.255 118 N C -0.017 175.485 175.510 -0.015 0.000 1.195 118 N CA -0.407 52.570 53.050 -0.122 0.000 0.790 118 N CB 0.466 38.905 38.487 -0.081 0.000 1.216 118 N HN 0.079 nan 8.380 nan 0.000 0.528 119 H N 1.027 120.167 119.070 0.116 0.000 2.518 119 H HA -0.060 4.496 4.556 0.000 0.000 0.289 119 H C 0.303 175.759 175.328 0.212 0.000 1.051 119 H CA 0.822 56.998 56.048 0.215 0.000 1.280 119 H CB 0.288 30.178 29.762 0.212 0.000 1.380 119 H HN 0.642 nan 8.280 nan 0.000 0.566 120 D N 1.068 121.621 120.400 0.256 0.000 2.338 120 D HA -0.019 4.621 4.640 0.000 0.000 0.239 120 D C 1.801 178.263 176.300 0.270 0.000 1.095 120 D CA 0.192 54.363 54.000 0.286 0.000 0.888 120 D CB 0.052 40.983 40.800 0.217 0.000 0.899 120 D HN 0.595 nan 8.370 nan 0.000 0.525 121 I N -3.484 117.079 120.570 -0.011 0.000 3.728 121 I HA 0.124 4.295 4.170 0.000 0.000 0.307 121 I C -0.162 175.760 176.117 -0.326 0.000 1.276 121 I CA 0.047 61.213 61.300 -0.223 0.000 1.285 121 I CB -0.030 37.761 38.000 -0.348 0.000 1.038 121 I HN -0.338 nan 8.210 nan 0.000 0.445 122 F N 0.389 120.420 119.950 0.135 0.000 2.458 122 F HA 0.505 5.032 4.527 0.000 0.000 0.330 122 F C 0.058 175.961 175.800 0.172 0.000 1.082 122 F CA -1.145 56.921 58.000 0.110 0.000 0.995 122 F CB 0.342 39.434 39.000 0.153 0.000 1.170 122 F HN -0.225 nan 8.300 nan 0.000 0.478 123 Y N 0.848 121.407 120.300 0.432 0.000 2.597 123 Y HA 0.249 4.799 4.550 0.000 0.000 0.336 123 Y C 0.688 176.793 175.900 0.342 0.000 1.216 123 Y CA 0.101 58.419 58.100 0.365 0.000 1.463 123 Y CB 0.141 38.804 38.460 0.338 0.000 1.303 123 Y HN 0.431 nan 8.280 nan 0.000 0.576 124 T N 4.749 119.623 114.554 0.534 0.000 2.886 124 T HA 0.282 4.632 4.350 0.000 0.000 0.292 124 T C -0.405 174.531 174.700 0.393 0.000 1.012 124 T CA -1.233 61.107 62.100 0.401 0.000 0.982 124 T CB 1.022 70.107 68.868 0.362 0.000 1.018 124 T HN 0.616 nan 8.240 nan 0.000 0.451 125 N N 1.606 120.452 118.700 0.244 0.000 2.447 125 N HA 0.244 4.985 4.740 0.000 0.000 0.271 125 N C 1.074 176.415 175.510 -0.281 0.000 1.226 125 N CA -0.947 52.157 53.050 0.090 0.000 0.980 125 N CB 0.806 39.337 38.487 0.073 0.000 1.206 125 N HN 0.569 nan 8.380 nan 0.000 0.558 126 R N -0.387 119.618 120.500 -0.825 0.000 2.127 126 R HA -0.128 4.212 4.340 0.000 0.000 0.238 126 R C 1.376 177.405 176.300 -0.452 0.000 1.134 126 R CA 1.923 57.328 56.100 -1.159 0.000 0.975 126 R CB -0.336 29.352 30.300 -1.020 0.000 0.865 126 R HN 0.791 nan 8.270 nan 0.000 0.447 127 S N -1.368 114.179 115.700 -0.254 0.000 2.607 127 S HA 0.112 4.582 4.470 0.000 0.000 0.224 127 S C 1.187 175.758 174.600 -0.049 0.000 0.969 127 S CA 0.434 58.564 58.200 -0.117 0.000 0.927 127 S CB 0.499 63.662 63.200 -0.063 0.000 0.772 127 S HN 0.592 nan 8.310 nan 0.000 0.533 128 G N 0.445 109.223 108.800 -0.037 0.000 2.141 128 G HA2 -0.224 3.736 3.960 0.000 0.000 0.242 128 G HA3 -0.224 3.736 3.960 0.000 0.000 0.242 128 G C 0.071 175.015 174.900 0.073 0.000 0.982 128 G CA 0.087 45.212 45.100 0.042 0.000 0.662 128 G HN 0.592 nan 8.290 nan 0.000 0.527 129 T N 0.794 115.395 114.554 0.078 0.000 2.851 129 T HA 0.510 4.860 4.350 0.000 0.000 0.298 129 T C 0.612 175.387 174.700 0.125 0.000 0.977 129 T CA 0.028 62.180 62.100 0.087 0.000 1.126 129 T CB 1.061 69.990 68.868 0.102 0.000 0.916 129 T HN 0.320 nan 8.240 nan 0.000 0.529 130 R N 3.403 123.953 120.500 0.083 0.000 2.202 130 R HA 0.255 4.595 4.340 0.000 0.000 0.334 130 R C 0.153 176.459 176.300 0.011 0.000 1.036 130 R CA -0.423 55.740 56.100 0.106 0.000 0.878 130 R CB 0.173 30.516 30.300 0.071 0.000 1.067 130 R HN 0.423 nan 8.270 nan 0.000 0.457 131 N N 2.496 121.265 118.700 0.115 0.000 2.414 131 N HA 0.060 4.800 4.740 0.000 0.000 0.256 131 N C -0.405 175.066 175.510 -0.065 0.000 1.029 131 N CA -0.051 53.037 53.050 0.064 0.000 0.948 131 N CB 0.881 39.493 38.487 0.208 0.000 1.102 131 N HN 0.437 nan 8.380 nan 0.000 0.496 132 K N 1.971 122.184 120.400 -0.311 0.000 2.437 132 K HA 0.017 4.337 4.320 0.000 0.000 0.198 132 K C 1.001 177.582 176.600 -0.033 0.000 1.024 132 K CA 0.076 56.032 56.287 -0.551 0.000 1.148 132 K CB 0.377 32.463 32.500 -0.690 0.000 0.860 132 K HN 0.664 nan 8.250 nan 0.000 0.515 133 E N -0.264 120.008 120.200 0.120 0.000 2.435 133 E HA -0.092 4.259 4.350 0.000 0.000 0.195 133 E C -0.098 176.745 176.600 0.404 0.000 1.029 133 E CA 0.391 56.920 56.400 0.215 0.000 0.865 133 E CB 0.111 29.917 29.700 0.177 0.000 0.833 133 E HN 0.191 nan 8.360 nan 0.000 0.510 134 Y N -0.132 120.334 120.300 0.277 0.000 2.641 134 Y HA 0.292 4.843 4.550 0.000 0.000 0.333 134 Y C -1.708 174.308 175.900 0.192 0.000 1.174 134 Y CA -1.385 56.875 58.100 0.266 0.000 1.057 134 Y CB 1.203 39.808 38.460 0.241 0.000 1.322 134 Y HN -0.161 nan 8.280 nan 0.000 0.457 135 L N 3.584 124.539 121.223 -0.447 0.000 2.290 135 L HA 0.231 4.572 4.340 0.000 0.000 0.284 135 L C 0.735 177.328 176.870 -0.462 0.000 1.078 135 L CA 0.056 54.670 54.840 -0.377 0.000 0.815 135 L CB 0.631 42.440 42.059 -0.417 0.000 1.162 135 L HN 0.843 nan 8.230 nan 0.000 0.435 136 T N 1.827 116.061 114.554 -0.534 0.000 2.946 136 T HA -0.023 4.327 4.350 0.000 0.000 0.312 136 T C 1.450 175.931 174.700 -0.365 0.000 1.066 136 T CA 0.251 61.837 62.100 -0.856 0.000 1.138 136 T CB 0.654 69.293 68.868 -0.383 0.000 1.014 136 T HN 0.493 nan 8.240 nan 0.000 0.544 137 V N 4.971 124.741 119.914 -0.240 0.000 2.688 137 V HA -0.004 4.116 4.120 0.000 0.000 0.256 137 V C 2.284 178.373 176.094 -0.009 0.000 1.084 137 V CA 2.661 64.889 62.300 -0.121 0.000 1.103 137 V CB -1.206 30.490 31.823 -0.212 0.000 0.688 137 V HN 1.078 nan 8.190 nan 0.000 0.480 138 G N -0.064 108.752 108.800 0.026 0.000 2.479 138 G HA2 -0.169 3.791 3.960 0.000 0.000 0.220 138 G HA3 -0.169 3.791 3.960 0.000 0.000 0.220 138 G C 1.271 176.101 174.900 -0.117 0.000 1.115 138 G CA 1.325 46.474 45.100 0.081 0.000 0.757 138 G HN 1.098 nan 8.290 nan 0.000 0.560 139 V N -2.651 117.136 119.914 -0.212 0.000 3.177 139 V HA 0.279 4.400 4.120 0.000 0.000 0.342 139 V C 1.161 177.184 176.094 -0.119 0.000 1.379 139 V CA 0.094 62.216 62.300 -0.297 0.000 1.191 139 V CB 0.360 31.989 31.823 -0.323 0.000 1.167 139 V HN -0.077 nan 8.190 nan 0.000 0.471 140 D N 2.403 122.769 120.400 -0.056 0.000 2.123 140 D HA -0.128 4.512 4.640 0.000 0.000 0.196 140 D C 1.275 177.546 176.300 -0.049 0.000 0.992 140 D CA 1.815 55.803 54.000 -0.020 0.000 0.833 140 D CB -0.048 40.802 40.800 0.084 0.000 0.954 140 D HN 0.562 nan 8.370 nan 0.000 0.455 141 N N 0.939 119.619 118.700 -0.033 0.000 2.282 141 N HA 0.027 4.767 4.740 0.000 0.000 0.240 141 N C -0.536 174.951 175.510 -0.038 0.000 1.182 141 N CA 0.021 53.056 53.050 -0.025 0.000 0.874 141 N CB 1.040 39.529 38.487 0.003 0.000 1.126 141 N HN 0.140 nan 8.380 nan 0.000 0.516 142 E N 1.886 122.036 120.200 -0.083 0.000 2.115 142 E HA 0.186 4.537 4.350 0.000 0.000 0.282 142 E C -2.150 174.380 176.600 -0.115 0.000 0.987 142 E CA -1.712 54.612 56.400 -0.126 0.000 0.797 142 E CB 1.909 31.435 29.700 -0.290 0.000 1.086 142 E HN 0.088 nan 8.360 nan 0.000 0.397 143 P HA 0.117 nan 4.420 nan 0.000 0.220 143 P C 0.532 177.749 177.300 -0.138 0.000 1.806 143 P CA 0.149 63.213 63.100 -0.059 0.000 0.976 143 P CB -0.675 31.011 31.700 -0.023 0.000 1.952 144 I N -4.296 116.076 120.570 -0.329 0.000 4.025 144 I HA 0.354 4.525 4.170 0.000 0.000 0.336 144 I C -0.447 175.270 176.117 -0.666 0.000 1.390 144 I CA -0.465 60.532 61.300 -0.504 0.000 1.099 144 I CB -0.134 37.488 38.000 -0.630 0.000 1.049 144 I HN -0.250 nan 8.210 nan 0.000 0.394 145 F N 3.576 123.492 119.950 -0.056 0.000 2.318 145 F HA 0.471 4.998 4.527 0.000 0.000 0.356 145 F C 0.392 176.234 175.800 0.069 0.000 1.109 145 F CA -0.852 57.151 58.000 0.005 0.000 1.234 145 F CB -0.532 38.546 39.000 0.131 0.000 1.545 145 F HN 0.139 nan 8.300 nan 0.000 0.534 146 H N 1.060 120.228 119.070 0.164 0.000 2.626 146 H HA -0.202 4.354 4.556 0.000 0.000 0.317 146 H C 1.542 176.904 175.328 0.056 0.000 1.140 146 H CA 0.839 56.935 56.048 0.079 0.000 1.134 146 H CB -1.158 28.628 29.762 0.040 0.000 1.486 146 H HN 0.945 nan 8.280 nan 0.000 0.417 147 G N -0.674 108.185 108.800 0.098 0.000 2.268 147 G HA2 -0.319 3.641 3.960 0.000 0.000 0.240 147 G HA3 -0.319 3.641 3.960 0.000 0.000 0.240 147 G C 0.558 175.505 174.900 0.078 0.000 1.010 147 G CA 0.374 45.515 45.100 0.069 0.000 0.618 147 G HN 0.550 nan 8.290 nan 0.000 0.516 148 R N 1.301 121.885 120.500 0.141 0.000 2.500 148 R HA 0.577 4.918 4.340 0.000 0.000 0.277 148 R C 0.838 177.246 176.300 0.179 0.000 1.026 148 R CA 0.259 56.445 56.100 0.142 0.000 1.058 148 R CB 0.922 31.324 30.300 0.170 0.000 1.078 148 R HN 0.402 nan 8.270 nan 0.000 0.509 149 T N -1.751 112.857 114.554 0.089 0.000 2.881 149 T HA 0.323 4.673 4.350 0.000 0.000 0.278 149 T C 1.329 176.011 174.700 -0.030 0.000 0.982 149 T CA -0.364 61.778 62.100 0.070 0.000 0.989 149 T CB 1.640 70.498 68.868 -0.018 0.000 1.058 149 T HN 0.587 nan 8.240 nan 0.000 0.529 150 A N 0.869 123.616 122.820 -0.122 0.000 1.908 150 A HA 0.014 4.334 4.320 0.000 0.000 0.218 150 A C 2.290 179.263 177.584 -1.019 0.000 1.181 150 A CA 1.407 53.061 52.037 -0.640 0.000 0.627 150 A CB -1.106 17.567 19.000 -0.544 0.000 0.818 150 A HN 0.880 nan 8.150 nan 0.000 0.445 151 I N -0.463 119.785 120.570 -0.537 0.000 2.394 151 I HA -0.237 3.933 4.170 0.000 0.000 0.251 151 I C 2.354 178.292 176.117 -0.298 0.000 1.136 151 I CA 1.395 62.468 61.300 -0.378 0.000 1.425 151 I CB -0.444 37.480 38.000 -0.127 0.000 1.079 151 I HN 0.462 nan 8.210 nan 0.000 0.425 152 E N 0.914 120.983 120.200 -0.219 0.000 2.150 152 E HA -0.172 4.178 4.350 0.000 0.000 0.193 152 E C 2.280 178.819 176.600 -0.102 0.000 0.985 152 E CA 1.059 57.401 56.400 -0.098 0.000 0.814 152 E CB 0.004 29.688 29.700 -0.027 0.000 0.752 152 E HN 0.512 nan 8.360 nan 0.000 0.466 153 I N 0.516 120.927 120.570 -0.264 0.000 2.179 153 I HA -0.284 3.887 4.170 0.000 0.000 0.242 153 I C 2.064 178.055 176.117 -0.210 0.000 1.088 153 I CA 1.145 62.323 61.300 -0.203 0.000 1.357 153 I CB -0.326 37.409 38.000 -0.441 0.000 1.051 153 I HN 0.113 nan 8.210 nan 0.000 0.409 154 Y N 0.192 120.173 120.300 -0.532 0.000 2.181 154 Y HA -0.211 4.339 4.550 -0.000 0.000 0.288 154 Y C 3.005 178.820 175.900 -0.143 0.000 1.146 154 Y CA 1.103 58.737 58.100 -0.777 0.000 1.164 154 Y CB -1.383 36.413 38.460 -1.106 0.000 0.982 154 Y HN 0.109 nan 8.280 nan 0.000 0.515 155 S N -0.167 115.560 115.700 0.046 0.000 2.356 155 S HA -0.169 4.301 4.470 0.000 0.000 0.223 155 S C 1.730 176.411 174.600 0.135 0.000 1.032 155 S CA 1.605 59.856 58.200 0.085 0.000 1.005 155 S CB -0.359 62.860 63.200 0.032 0.000 0.867 155 S HN 0.420 nan 8.310 nan 0.000 0.449 156 D N -0.299 120.201 120.400 0.166 0.000 2.144 156 D HA -0.095 4.545 4.640 0.000 0.000 0.199 156 D C 1.585 178.037 176.300 0.254 0.000 0.984 156 D CA 1.067 55.201 54.000 0.223 0.000 0.834 156 D CB -0.514 40.470 40.800 0.307 0.000 0.955 156 D HN 0.601 nan 8.370 nan 0.000 0.465 157 Y N 1.014 121.450 120.300 0.226 0.000 2.145 157 Y HA -0.187 4.363 4.550 -0.000 0.000 0.286 157 Y C 2.401 178.442 175.900 0.235 0.000 1.145 157 Y CA 1.587 59.830 58.100 0.239 0.000 1.148 157 Y CB -0.140 38.609 38.460 0.482 0.000 0.981 157 Y HN -0.142 nan 8.280 nan 0.000 0.507 158 M N -0.258 119.594 119.600 0.420 0.000 2.229 158 M HA -0.186 4.294 4.480 0.000 0.000 0.264 158 M C 1.998 178.232 176.300 -0.109 0.000 1.063 158 M CA 1.624 57.062 55.300 0.230 0.000 1.114 158 M CB -0.226 32.549 32.600 0.292 0.000 1.387 158 M HN 0.157 nan 8.290 nan 0.000 0.420 159 K N -0.305 120.046 120.400 -0.082 0.000 2.057 159 K HA -0.099 4.222 4.320 0.000 0.000 0.206 159 K C 2.265 178.774 176.600 -0.153 0.000 1.050 159 K CA 1.540 57.733 56.287 -0.157 0.000 0.935 159 K CB -0.254 32.213 32.500 -0.055 0.000 0.715 159 K HN 0.159 nan 8.250 nan 0.000 0.439 160 S N 0.595 116.226 115.700 -0.115 0.000 2.368 160 S HA -0.164 4.306 4.470 0.000 0.000 0.225 160 S C 1.781 176.170 174.600 -0.351 0.000 1.030 160 S CA 0.922 59.046 58.200 -0.126 0.000 0.999 160 S CB -0.307 62.749 63.200 -0.239 0.000 0.844 160 S HN 0.337 nan 8.310 nan 0.000 0.459 161 F N 3.177 122.759 119.950 -0.614 0.000 2.095 161 F HA -0.047 4.480 4.527 -0.000 0.000 0.298 161 F C 2.584 178.056 175.800 -0.547 0.000 1.104 161 F CA 2.045 59.445 58.000 -0.999 0.000 1.232 161 F CB -0.484 38.151 39.000 -0.609 0.000 0.987 161 F HN 0.126 nan 8.300 nan 0.000 0.475 162 R N 0.979 121.321 120.500 -0.264 0.000 2.081 162 R HA -0.183 4.158 4.340 0.000 0.000 0.235 162 R C 2.006 178.144 176.300 -0.270 0.000 1.131 162 R CA 2.246 58.202 56.100 -0.240 0.000 0.960 162 R CB -0.684 29.359 30.300 -0.429 0.000 0.856 162 R HN 0.464 nan 8.270 nan 0.000 0.436 163 E N 0.151 120.191 120.200 -0.266 0.000 2.028 163 E HA -0.123 4.227 4.350 0.000 0.000 0.191 163 E C 1.857 178.322 176.600 -0.224 0.000 0.988 163 E CA 1.088 57.372 56.400 -0.193 0.000 0.799 163 E CB -0.176 29.449 29.700 -0.125 0.000 0.755 163 E HN 0.447 nan 8.360 nan 0.000 0.447 164 N N 0.053 118.549 118.700 -0.340 0.000 2.453 164 N HA -0.060 4.680 4.740 0.000 0.000 0.183 164 N C 1.017 176.331 175.510 -0.327 0.000 1.041 164 N CA 0.791 53.646 53.050 -0.325 0.000 0.900 164 N CB 0.199 38.413 38.487 -0.456 0.000 0.961 164 N HN 0.178 nan 8.380 nan 0.000 0.443 165 M N 0.024 119.362 119.600 -0.437 0.000 2.405 165 M HA 0.132 4.612 4.480 0.000 0.000 0.292 165 M C 1.625 177.845 176.300 -0.133 0.000 1.111 165 M CA 0.084 55.236 55.300 -0.247 0.000 0.979 165 M CB -0.455 31.787 32.600 -0.598 0.000 1.426 165 M HN -0.023 nan 8.290 nan 0.000 0.509 166 S N 1.477 117.082 115.700 -0.159 0.000 2.407 166 S HA -0.211 4.259 4.470 0.000 0.000 0.235 166 S C 1.361 175.902 174.600 -0.098 0.000 1.036 166 S CA 1.948 60.087 58.200 -0.101 0.000 1.013 166 S CB -0.618 62.523 63.200 -0.098 0.000 0.820 166 S HN 0.561 nan 8.310 nan 0.000 0.476 167 D N 1.254 121.547 120.400 -0.178 0.000 2.123 167 D HA -0.092 4.549 4.640 0.000 0.000 0.200 167 D C 1.521 177.681 176.300 -0.232 0.000 0.976 167 D CA 0.783 54.631 54.000 -0.253 0.000 0.831 167 D CB -0.968 39.589 40.800 -0.406 0.000 0.974 167 D HN 0.491 nan 8.370 nan 0.000 0.469 168 F N 0.685 120.612 119.950 -0.039 0.000 2.234 168 F HA 0.126 4.653 4.527 0.000 0.000 0.299 168 F C 2.477 178.241 175.800 -0.060 0.000 1.087 168 F CA 0.474 58.448 58.000 -0.044 0.000 1.340 168 F CB -0.493 38.470 39.000 -0.061 0.000 1.031 168 F HN -0.084 nan 8.300 nan 0.000 0.500 169 L N 0.014 121.301 121.223 0.106 0.000 2.109 169 L HA -0.162 4.178 4.340 0.000 0.000 0.207 169 L C 2.449 179.347 176.870 0.045 0.000 1.086 169 L CA 1.515 56.398 54.840 0.072 0.000 0.760 169 L CB -0.655 41.456 42.059 0.085 0.000 0.910 169 L HN 0.243 nan 8.230 nan 0.000 0.437 170 E N -0.387 119.822 120.200 0.016 0.000 2.216 170 E HA -0.141 4.209 4.350 0.000 0.000 0.192 170 E C 1.958 178.561 176.600 0.006 0.000 0.988 170 E CA 1.158 57.559 56.400 0.003 0.000 0.834 170 E CB -0.196 29.491 29.700 -0.021 0.000 0.772 170 E HN 0.412 nan 8.360 nan 0.000 0.479 171 S N -0.010 115.697 115.700 0.012 0.000 2.603 171 S HA 0.227 4.697 4.470 0.000 0.000 0.220 171 S C 1.627 176.255 174.600 0.048 0.000 0.967 171 S CA 0.222 58.437 58.200 0.025 0.000 0.920 171 S CB 0.080 63.297 63.200 0.029 0.000 0.773 171 S HN 0.594 nan 8.310 nan 0.000 0.529 172 G N 0.645 109.475 108.800 0.051 0.000 2.136 172 G HA2 -0.245 3.715 3.960 0.000 0.000 0.242 172 G HA3 -0.245 3.715 3.960 0.000 0.000 0.242 172 G C 0.322 175.261 174.900 0.065 0.000 0.989 172 G CA 0.393 45.525 45.100 0.052 0.000 0.682 172 G HN 0.590 nan 8.290 nan 0.000 0.522 173 L N 0.376 121.645 121.223 0.077 0.000 2.022 173 L HA 0.466 4.807 4.340 0.000 0.000 0.204 173 L C 1.651 178.509 176.870 -0.020 0.000 1.076 173 L CA 1.216 56.089 54.840 0.054 0.000 0.749 173 L CB -0.121 41.993 42.059 0.091 0.000 0.903 173 L HN 0.331 nan 8.230 nan 0.000 0.439 174 I N 0.960 121.489 120.570 -0.068 0.000 2.421 174 I HA -0.008 4.162 4.170 0.000 0.000 0.291 174 I C 0.707 176.801 176.117 -0.038 0.000 1.089 174 I CA 0.266 61.497 61.300 -0.115 0.000 1.354 174 I CB 0.813 38.743 38.000 -0.117 0.000 1.413 174 I HN 0.291 nan 8.210 nan 0.000 0.513 175 I N 4.422 124.973 120.570 -0.032 0.000 4.181 175 I HA 0.206 4.377 4.170 0.000 0.000 0.331 175 I C 0.016 176.112 176.117 -0.036 0.000 1.312 175 I CA 0.573 61.874 61.300 0.001 0.000 1.146 175 I CB 0.330 38.371 38.000 0.068 0.000 1.074 175 I HN 0.587 nan 8.210 nan 0.000 0.402 176 D N -0.207 120.135 120.400 -0.097 0.000 2.947 176 D HA 0.383 5.024 4.640 0.000 0.000 0.224 176 D C -1.279 174.901 176.300 -0.200 0.000 1.230 176 D CA -0.370 53.553 54.000 -0.129 0.000 0.871 176 D CB 1.670 42.395 40.800 -0.123 0.000 1.671 176 D HN -0.194 nan 8.370 nan 0.000 0.507 177 I N 3.200 123.611 120.570 -0.265 0.000 2.405 177 I HA 0.245 4.415 4.170 0.000 0.000 0.280 177 I C -0.153 175.827 176.117 -0.228 0.000 1.027 177 I CA -0.515 60.566 61.300 -0.364 0.000 1.161 177 I CB 1.072 38.626 38.000 -0.742 0.000 1.300 177 I HN 0.553 nan 8.210 nan 0.000 0.463 178 E N 6.073 126.173 120.200 -0.166 0.000 2.089 178 E HA 0.344 4.695 4.350 0.000 0.000 0.284 178 E C -0.937 175.611 176.600 -0.086 0.000 1.023 178 E CA -0.479 55.860 56.400 -0.100 0.000 0.819 178 E CB 1.172 30.833 29.700 -0.066 0.000 1.076 178 E HN 0.339 nan 8.360 nan 0.000 0.396 179 V N 4.399 124.277 119.914 -0.060 0.000 2.427 179 V HA 0.246 4.366 4.120 0.000 0.000 0.268 179 V C 0.955 177.043 176.094 -0.011 0.000 1.046 179 V CA -0.388 61.904 62.300 -0.013 0.000 0.970 179 V CB 1.004 32.822 31.823 -0.008 0.000 1.001 179 V HN 0.756 nan 8.190 nan 0.000 0.476 180 G N 4.929 113.744 108.800 0.025 0.000 2.361 180 G HA2 0.395 4.355 3.960 0.000 0.000 0.260 180 G HA3 0.395 4.355 3.960 0.000 0.000 0.260 180 G C 0.265 175.176 174.900 0.017 0.000 1.261 180 G CA -0.386 44.725 45.100 0.018 0.000 0.897 180 G HN 0.554 nan 8.290 nan 0.000 0.499 181 L N 2.248 123.421 121.223 -0.083 0.000 3.014 181 L HA 0.394 4.734 4.340 0.000 0.000 0.263 181 L C 1.120 177.829 176.870 -0.268 0.000 1.207 181 L CA 0.607 55.422 54.840 -0.042 0.000 1.017 181 L CB -0.623 41.430 42.059 -0.011 0.000 1.360 181 L HN 0.813 nan 8.230 nan 0.000 0.560 182 G N -0.100 108.247 108.800 -0.754 0.000 2.335 182 G HA2 0.261 4.221 3.960 0.000 0.000 0.291 182 G HA3 0.261 4.221 3.960 0.000 0.000 0.291 182 G C -3.141 171.228 174.900 -0.886 0.000 1.261 182 G CA -0.507 43.803 45.100 -1.316 0.000 0.871 182 G HN -0.234 nan 8.290 nan 0.000 0.491 183 P HA 0.353 nan 4.420 nan 0.000 0.266 183 P C 0.725 177.788 177.300 -0.395 0.000 1.195 183 P CA 1.768 64.703 63.100 -0.275 0.000 0.768 183 P CB 1.254 32.852 31.700 -0.169 0.000 0.838 184 A N 2.726 125.312 122.820 -0.390 0.000 2.829 184 A HA -0.145 4.175 4.320 0.000 0.000 0.267 184 A C 1.458 178.616 177.584 -0.711 0.000 1.370 184 A CA 1.727 53.542 52.037 -0.370 0.000 0.900 184 A CB -2.590 16.314 19.000 -0.160 0.000 1.044 184 A HN 1.185 nan 8.150 nan 0.000 0.691 185 G N -1.985 106.030 108.800 -1.308 0.000 2.166 185 G HA2 -0.268 3.692 3.960 0.000 0.000 0.260 185 G HA3 -0.268 3.692 3.960 0.000 0.000 0.260 185 G C -0.140 174.564 174.900 -0.325 0.000 0.986 185 G CA 1.148 45.816 45.100 -0.721 0.000 0.683 185 G HN 1.198 nan 8.290 nan 0.000 0.527 186 E N -0.888 119.130 120.200 -0.303 0.000 2.248 186 E HA 0.528 4.878 4.350 0.000 0.000 0.272 186 E C 0.072 176.581 176.600 -0.151 0.000 1.008 186 E CA -1.097 55.217 56.400 -0.142 0.000 0.856 186 E CB 1.477 31.141 29.700 -0.060 0.000 1.120 186 E HN 0.162 nan 8.360 nan 0.000 0.397 187 L N 4.640 125.843 121.223 -0.035 0.000 2.448 187 L HA 0.170 4.510 4.340 0.000 0.000 0.278 187 L C -0.277 176.541 176.870 -0.087 0.000 1.201 187 L CA 0.805 55.623 54.840 -0.036 0.000 1.036 187 L CB -1.119 40.976 42.059 0.060 0.000 1.325 187 L HN 0.572 nan 8.230 nan 0.000 0.441 188 R N 1.897 122.221 120.500 -0.293 0.000 2.835 188 R HA 0.383 4.723 4.340 0.000 0.000 0.271 188 R C -1.520 174.434 176.300 -0.576 0.000 1.013 188 R CA -1.014 54.817 56.100 -0.448 0.000 0.876 188 R CB 0.452 30.578 30.300 -0.290 0.000 1.348 188 R HN 0.099 nan 8.270 nan 0.000 0.453 189 Y N 0.287 120.319 120.300 -0.446 0.000 2.419 189 Y HA 0.430 4.980 4.550 0.000 0.000 0.328 189 Y C -1.758 173.917 175.900 -0.374 0.000 1.162 189 Y CA -2.368 55.399 58.100 -0.556 0.000 1.174 189 Y CB 1.531 39.728 38.460 -0.438 0.000 1.228 189 Y HN 0.387 nan 8.280 nan 0.000 0.473 190 P HA 0.031 nan 4.420 nan 0.000 0.220 190 P C 0.197 177.455 177.300 -0.071 0.000 1.806 190 P CA 0.137 63.140 63.100 -0.162 0.000 0.976 190 P CB -0.075 31.606 31.700 -0.032 0.000 1.952 191 S N 0.339 116.034 115.700 -0.008 0.000 2.453 191 S HA -0.142 4.328 4.470 0.000 0.000 0.231 191 S C 0.796 175.517 174.600 0.203 0.000 1.005 191 S CA 0.395 58.690 58.200 0.158 0.000 0.949 191 S CB -1.042 62.269 63.200 0.184 0.000 0.774 191 S HN 0.401 nan 8.310 nan 0.000 0.510 192 Y N 0.473 120.612 120.300 -0.268 0.000 2.495 192 Y HA 0.628 5.179 4.550 0.001 0.000 0.362 192 Y C -3.161 172.393 175.900 -0.578 0.000 0.956 192 Y CA -4.342 53.291 58.100 -0.779 0.000 1.127 192 Y CB -0.384 37.078 38.460 -1.663 0.000 1.173 192 Y HN 0.010 nan 8.280 nan 0.000 0.639 193 P HA 0.091 nan 4.420 nan 0.000 0.276 193 P C 0.158 177.402 177.300 -0.095 0.000 1.253 193 P CA 0.152 63.096 63.100 -0.260 0.000 0.766 193 P CB 2.153 33.710 31.700 -0.238 0.000 0.845 194 Q N 2.867 122.677 119.800 0.016 0.000 2.124 194 Q HA -0.152 4.189 4.340 0.000 0.000 0.202 194 Q C 2.171 178.183 176.000 0.021 0.000 0.977 194 Q CA 2.434 58.305 55.803 0.114 0.000 0.850 194 Q CB -0.374 28.428 28.738 0.106 0.000 0.901 194 Q HN 0.600 nan 8.270 nan 0.000 0.429 195 S N -0.393 115.292 115.700 -0.025 0.000 2.419 195 S HA -0.184 4.286 4.470 0.000 0.000 0.233 195 S C 1.370 175.941 174.600 -0.049 0.000 1.016 195 S CA 1.080 59.261 58.200 -0.033 0.000 0.974 195 S CB -0.154 63.024 63.200 -0.037 0.000 0.786 195 S HN 0.436 nan 8.310 nan 0.000 0.492 196 Q N 0.461 120.195 119.800 -0.110 0.000 2.220 196 Q HA 0.394 4.734 4.340 0.000 0.000 0.205 196 Q C 1.129 177.069 176.000 -0.101 0.000 0.865 196 Q CA 0.218 55.947 55.803 -0.123 0.000 0.960 196 Q CB 0.570 29.179 28.738 -0.215 0.000 1.097 196 Q HN 0.760 nan 8.270 nan 0.000 0.493 197 G N 0.777 109.546 108.800 -0.051 0.000 2.195 197 G HA2 -0.258 3.702 3.960 0.000 0.000 0.224 197 G HA3 -0.258 3.702 3.960 0.000 0.000 0.224 197 G C -0.255 174.668 174.900 0.037 0.000 0.990 197 G CA -0.309 44.793 45.100 0.004 0.000 0.639 197 G HN 0.453 nan 8.290 nan 0.000 0.514 198 W N 2.209 123.406 121.300 -0.172 0.000 2.231 198 W HA 0.528 5.188 4.660 -0.000 0.000 0.341 198 W C 0.253 176.769 176.519 -0.006 0.000 1.298 198 W CA 0.767 58.077 57.345 -0.059 0.000 1.266 198 W CB 0.425 29.841 29.460 -0.073 0.000 1.172 198 W HN 0.219 nan 8.180 nan 0.000 0.568 199 E N 5.698 125.208 120.200 -1.151 0.000 2.304 199 E HA 0.099 4.449 4.350 0.000 0.000 0.277 199 E C -1.393 174.178 176.600 -1.715 0.000 0.898 199 E CA -1.220 54.477 56.400 -1.171 0.000 0.764 199 E CB 1.556 30.949 29.700 -0.511 0.000 1.216 199 E HN 0.322 nan 8.360 nan 0.000 0.419 200 F N 5.472 124.350 119.950 -1.787 0.000 2.629 200 F HA 0.077 4.604 4.527 0.000 0.000 0.377 200 F C -1.567 173.826 175.800 -0.679 0.000 1.101 200 F CA -0.915 56.383 58.000 -1.169 0.000 1.301 200 F CB 0.718 39.285 39.000 -0.722 0.000 1.062 200 F HN 0.238 nan 8.300 nan 0.000 0.583 201 P HA 0.229 nan 4.420 nan 0.000 0.239 201 P C -0.116 177.052 177.300 -0.221 0.000 1.880 201 P CA -0.217 62.087 63.100 -1.326 0.000 1.088 201 P CB 0.104 30.774 31.700 -1.718 0.000 1.721 202 G N 1.452 110.167 108.800 -0.143 0.000 2.484 202 G HA2 0.077 4.037 3.960 0.000 0.000 0.235 202 G HA3 0.077 4.037 3.960 0.000 0.000 0.235 202 G C 1.210 176.565 174.900 0.758 0.000 1.282 202 G CA -0.571 44.701 45.100 0.286 0.000 0.857 202 G HN 0.397 nan 8.290 nan 0.000 0.571 203 I N 0.500 121.348 120.570 0.463 0.000 2.756 203 I HA 0.222 4.392 4.170 0.000 0.000 0.262 203 I C 1.288 177.533 176.117 0.213 0.000 1.225 203 I CA 0.562 61.985 61.300 0.205 0.000 1.472 203 I CB -0.917 36.900 38.000 -0.304 0.000 1.094 203 I HN 0.944 nan 8.210 nan 0.000 0.454 204 G N 1.334 110.390 108.800 0.426 0.000 2.741 204 G HA2 -0.210 3.750 3.960 0.000 0.000 0.222 204 G HA3 -0.210 3.750 3.960 0.000 0.000 0.222 204 G C -0.673 174.251 174.900 0.039 0.000 1.364 204 G CA -0.096 45.242 45.100 0.398 0.000 0.866 204 G HN 0.611 nan 8.290 nan 0.000 0.555 205 E N -1.353 118.820 120.200 -0.046 0.000 2.383 205 E HA 0.546 4.896 4.350 0.000 0.000 0.275 205 E C -0.830 175.653 176.600 -0.194 0.000 0.918 205 E CA -0.892 55.319 56.400 -0.314 0.000 0.764 205 E CB 1.493 30.806 29.700 -0.645 0.000 1.252 205 E HN 0.316 nan 8.360 nan 0.000 0.449 206 F N 1.490 121.398 119.950 -0.071 0.000 2.506 206 F HA 0.059 4.587 4.527 0.000 0.000 0.351 206 F C 1.216 177.072 175.800 0.093 0.000 1.136 206 F CA 0.193 58.134 58.000 -0.098 0.000 1.298 206 F CB 0.546 39.386 39.000 -0.267 0.000 1.145 206 F HN 0.210 nan 8.300 nan 0.000 0.593 207 Q N 2.518 122.484 119.800 0.277 0.000 2.318 207 Q HA 0.192 4.532 4.340 0.000 0.000 0.371 207 Q C -0.025 176.186 176.000 0.352 0.000 0.896 207 Q CA 0.051 56.038 55.803 0.307 0.000 1.134 207 Q CB 0.737 29.577 28.738 0.170 0.000 1.329 207 Q HN 0.808 nan 8.270 nan 0.000 0.413 208 C N -2.363 117.110 119.300 0.288 0.000 2.742 208 C HA 0.434 4.894 4.460 0.000 0.000 0.283 208 C C 0.754 175.780 174.990 0.059 0.000 1.451 208 C CA -0.622 58.552 59.018 0.260 0.000 1.785 208 C CB -1.601 26.338 27.740 0.332 0.000 2.664 208 C HN 0.326 nan 8.230 nan 0.000 0.544 209 Y N 2.153 122.599 120.300 0.244 0.000 2.461 209 Y HA 0.173 4.723 4.550 0.000 0.000 0.277 209 Y C 0.962 176.983 175.900 0.202 0.000 1.182 209 Y CA -0.429 57.775 58.100 0.172 0.000 1.276 209 Y CB -0.462 38.059 38.460 0.102 0.000 1.087 209 Y HN 0.545 nan 8.280 nan 0.000 0.519 210 D N -0.479 120.144 120.400 0.372 0.000 2.362 210 D HA 0.016 4.656 4.640 0.000 0.000 0.242 210 D C 1.316 177.754 176.300 0.231 0.000 1.132 210 D CA -0.454 53.738 54.000 0.320 0.000 0.907 210 D CB 0.937 41.962 40.800 0.375 0.000 1.195 210 D HN 0.053 nan 8.370 nan 0.000 0.429 211 K N 1.041 121.503 120.400 0.104 0.000 2.144 211 K HA -0.330 3.990 4.320 0.000 0.000 0.209 211 K C 1.119 177.648 176.600 -0.119 0.000 1.047 211 K CA 1.530 57.773 56.287 -0.072 0.000 0.927 211 K CB -0.299 32.045 32.500 -0.259 0.000 0.716 211 K HN 0.646 nan 8.250 nan 0.000 0.454 212 Y N 0.302 120.690 120.300 0.147 0.000 2.184 212 Y HA -0.148 4.402 4.550 0.000 0.000 0.290 212 Y C 2.234 178.273 175.900 0.231 0.000 1.129 212 Y CA 0.600 58.792 58.100 0.153 0.000 1.144 212 Y CB -0.097 38.434 38.460 0.118 0.000 0.995 212 Y HN -0.005 nan 8.280 nan 0.000 0.513 213 L N 0.554 122.042 121.223 0.442 0.000 2.056 213 L HA -0.186 4.154 4.340 0.000 0.000 0.207 213 L C 2.228 179.381 176.870 0.473 0.000 1.078 213 L CA 1.695 56.861 54.840 0.543 0.000 0.749 213 L CB -1.154 41.248 42.059 0.571 0.000 0.901 213 L HN 0.265 nan 8.230 nan 0.000 0.433 214 K N -0.035 120.533 120.400 0.281 0.000 2.360 214 K HA -0.117 4.203 4.320 0.000 0.000 0.201 214 K C 1.863 178.560 176.600 0.162 0.000 1.046 214 K CA 1.086 57.470 56.287 0.162 0.000 0.945 214 K CB 0.256 32.822 32.500 0.110 0.000 0.750 214 K HN 0.254 nan 8.250 nan 0.000 0.464 215 A N 0.444 123.366 122.820 0.169 0.000 1.956 215 A HA -0.072 4.248 4.320 0.000 0.000 0.212 215 A C 1.677 179.352 177.584 0.153 0.000 1.188 215 A CA 1.159 53.269 52.037 0.122 0.000 0.675 215 A CB -0.289 18.760 19.000 0.082 0.000 0.845 215 A HN 0.423 nan 8.150 nan 0.000 0.455 216 D N -1.014 119.544 120.400 0.264 0.000 2.117 216 D HA -0.174 4.466 4.640 0.000 0.000 0.197 216 D C 1.619 178.040 176.300 0.201 0.000 0.987 216 D CA 1.514 55.707 54.000 0.322 0.000 0.829 216 D CB -0.223 40.897 40.800 0.533 0.000 0.961 216 D HN 0.341 nan 8.370 nan 0.000 0.460 217 F N 1.372 121.226 119.950 -0.159 0.000 2.102 217 F HA -0.106 4.421 4.527 0.001 0.000 0.298 217 F C 1.965 177.599 175.800 -0.275 0.000 1.105 217 F CA 1.341 58.882 58.000 -0.764 0.000 1.239 217 F CB -0.111 38.166 39.000 -1.205 0.000 0.991 217 F HN -0.173 nan 8.300 nan 0.000 0.474 218 K N 0.513 120.803 120.400 -0.183 0.000 2.147 218 K HA -0.123 4.197 4.320 0.000 0.000 0.205 218 K C 2.260 178.747 176.600 -0.188 0.000 1.049 218 K CA 1.181 57.347 56.287 -0.201 0.000 0.936 218 K CB -0.796 31.694 32.500 -0.017 0.000 0.722 218 K HN 0.418 nan 8.250 nan 0.000 0.446 219 A N 1.424 124.187 122.820 -0.095 0.000 1.929 219 A HA 0.001 4.322 4.320 0.000 0.000 0.216 219 A C 2.412 179.958 177.584 -0.063 0.000 1.176 219 A CA 1.586 53.592 52.037 -0.051 0.000 0.628 219 A CB -0.433 18.581 19.000 0.023 0.000 0.816 219 A HN 0.286 nan 8.150 nan 0.000 0.444 220 A N 0.178 122.960 122.820 -0.064 0.000 1.858 220 A HA -0.057 4.264 4.320 0.000 0.000 0.216 220 A C 2.336 179.919 177.584 -0.002 0.000 1.190 220 A CA 2.428 54.497 52.037 0.053 0.000 0.617 220 A CB -1.362 17.696 19.000 0.097 0.000 0.827 220 A HN 1.152 nan 8.150 nan 0.000 0.443 221 V N -2.388 117.361 119.914 -0.274 0.000 2.515 221 V HA -0.028 4.092 4.120 0.000 0.000 0.250 221 V C 2.486 178.318 176.094 -0.436 0.000 1.058 221 V CA 1.811 63.827 62.300 -0.474 0.000 1.064 221 V CB -1.475 30.058 31.823 -0.482 0.000 0.675 221 V HN 0.530 nan 8.190 nan 0.000 0.461 222 A N 0.693 123.332 122.820 -0.301 0.000 1.930 222 A HA -0.103 4.217 4.320 0.000 0.000 0.217 222 A C 2.424 179.869 177.584 -0.231 0.000 1.175 222 A CA 1.714 53.596 52.037 -0.258 0.000 0.627 222 A CB -0.557 18.340 19.000 -0.171 0.000 0.815 222 A HN 0.555 nan 8.150 nan 0.000 0.443 223 R N -0.669 119.737 120.500 -0.156 0.000 2.189 223 R HA 0.032 4.373 4.340 0.000 0.000 0.218 223 R C 2.024 178.245 176.300 -0.131 0.000 1.074 223 R CA 0.870 56.911 56.100 -0.099 0.000 0.991 223 R CB -0.263 30.033 30.300 -0.008 0.000 0.883 223 R HN 0.494 nan 8.270 nan 0.000 0.457 224 A N -0.021 122.663 122.820 -0.225 0.000 2.208 224 A HA 0.205 4.525 4.320 0.000 0.000 0.209 224 A C 1.378 178.703 177.584 -0.432 0.000 1.161 224 A CA 0.857 52.725 52.037 -0.281 0.000 0.782 224 A CB 0.127 18.800 19.000 -0.545 0.000 0.816 224 A HN 0.415 nan 8.150 nan 0.000 0.477 225 G N -1.407 107.082 108.800 -0.518 0.000 2.144 225 G HA2 -0.166 3.794 3.960 0.000 0.000 0.218 225 G HA3 -0.166 3.794 3.960 0.000 0.000 0.218 225 G C -0.062 174.167 174.900 -1.119 0.000 0.988 225 G CA 0.204 44.887 45.100 -0.696 0.000 0.659 225 G HN 0.670 nan 8.290 nan 0.000 0.522 226 H N -0.605 117.990 119.070 -0.791 0.000 2.379 226 H HA 0.256 4.812 4.556 0.000 0.000 0.229 226 H C -2.035 172.844 175.328 -0.748 0.000 1.423 226 H CA -1.079 54.350 56.048 -1.033 0.000 1.375 226 H CB 1.442 29.839 29.762 -2.276 0.000 1.592 226 H HN 0.136 nan 8.280 nan 0.000 0.507 227 P HA -0.204 nan 4.420 nan 0.000 0.218 227 P C 1.706 178.915 177.300 -0.150 0.000 1.146 227 P CA 1.237 64.191 63.100 -0.244 0.000 0.813 227 P CB 0.431 32.017 31.700 -0.190 0.000 0.778 228 E N -1.670 118.450 120.200 -0.133 0.000 2.427 228 E HA -0.130 4.220 4.350 0.000 0.000 0.196 228 E C 0.177 176.864 176.600 0.144 0.000 1.028 228 E CA 0.260 56.656 56.400 -0.006 0.000 0.864 228 E CB -0.822 28.880 29.700 0.004 0.000 0.813 228 E HN 0.208 nan 8.360 nan 0.000 0.514 229 W N 2.439 123.712 121.300 -0.044 0.000 2.223 229 W HA 0.151 4.812 4.660 0.000 0.000 0.334 229 W C 0.806 177.389 176.519 0.105 0.000 1.334 229 W CA -0.310 57.032 57.345 -0.004 0.000 1.246 229 W CB 0.219 29.641 29.460 -0.064 0.000 1.184 229 W HN -0.061 nan 8.180 nan 0.000 0.563 230 E N 1.780 122.186 120.200 0.343 0.000 2.299 230 E HA 0.418 4.768 4.350 0.000 0.000 0.260 230 E C -0.162 176.449 176.600 0.019 0.000 0.944 230 E CA -1.219 55.327 56.400 0.243 0.000 0.815 230 E CB 1.663 31.416 29.700 0.088 0.000 1.252 230 E HN 0.203 nan 8.360 nan 0.000 0.418 231 L N 1.714 122.773 121.223 -0.273 0.000 2.473 231 L HA 0.144 4.484 4.340 0.000 0.000 0.268 231 L C -1.924 174.586 176.870 -0.601 0.000 1.215 231 L CA -1.533 52.811 54.840 -0.826 0.000 0.823 231 L CB -0.309 41.243 42.059 -0.845 0.000 1.099 231 L HN 0.143 nan 8.230 nan 0.000 0.483 232 P HA -0.076 nan 4.420 nan 0.000 0.260 232 P C -0.677 176.480 177.300 -0.238 0.000 1.172 232 P CA 0.404 63.126 63.100 -0.630 0.000 0.760 232 P CB 0.288 31.358 31.700 -1.050 0.000 0.773 233 D N 1.196 121.503 120.400 -0.155 0.000 2.582 233 D HA 0.016 4.656 4.640 0.000 0.000 0.246 233 D C -0.096 176.166 176.300 -0.064 0.000 1.334 233 D CA -0.103 53.844 54.000 -0.088 0.000 0.805 233 D CB -0.211 40.553 40.800 -0.061 0.000 1.087 233 D HN 0.275 nan 8.370 nan 0.000 0.499 234 D N -0.777 119.592 120.400 -0.050 0.000 2.594 234 D HA 0.225 4.866 4.640 0.000 0.000 0.256 234 D C 1.031 177.347 176.300 0.026 0.000 1.393 234 D CA -0.251 53.746 54.000 -0.005 0.000 0.797 234 D CB -0.163 40.646 40.800 0.015 0.000 1.110 234 D HN 0.107 nan 8.370 nan 0.000 0.495 235 A N 0.480 123.277 122.820 -0.038 0.000 2.238 235 A HA 0.598 4.918 4.320 0.000 0.000 0.208 235 A C 1.517 179.117 177.584 0.027 0.000 1.177 235 A CA 0.560 52.581 52.037 -0.027 0.000 0.804 235 A CB -0.707 18.198 19.000 -0.158 0.000 0.823 235 A HN 0.669 nan 8.150 nan 0.000 0.482 236 G N -0.291 108.500 108.800 -0.014 0.000 2.569 236 G HA2 -0.241 3.720 3.960 0.000 0.000 0.259 236 G HA3 -0.241 3.720 3.960 0.000 0.000 0.259 236 G C -0.183 174.664 174.900 -0.089 0.000 1.263 236 G CA 0.307 45.389 45.100 -0.029 0.000 0.928 236 G HN 0.625 nan 8.290 nan 0.000 0.572 237 K N -1.358 118.996 120.400 -0.076 0.000 2.346 237 K HA 0.587 4.907 4.320 0.000 0.000 0.238 237 K C 0.975 177.544 176.600 -0.052 0.000 1.039 237 K CA -0.845 55.363 56.287 -0.131 0.000 0.861 237 K CB 1.246 33.711 32.500 -0.058 0.000 1.278 237 K HN 0.381 nan 8.250 nan 0.000 0.460 238 Y N 0.953 121.313 120.300 0.100 0.000 2.073 238 Y HA -0.323 4.227 4.550 0.001 0.000 0.270 238 Y C 1.328 177.370 175.900 0.237 0.000 1.226 238 Y CA 2.049 60.285 58.100 0.227 0.000 1.117 238 Y CB -0.567 38.065 38.460 0.288 0.000 0.939 238 Y HN 0.616 nan 8.280 nan 0.000 0.504 239 N N -0.234 118.622 118.700 0.260 0.000 2.314 239 N HA -0.004 4.736 4.740 0.000 0.000 0.200 239 N C -0.520 175.027 175.510 0.061 0.000 1.135 239 N CA -0.283 52.824 53.050 0.096 0.000 0.835 239 N CB 0.150 38.639 38.487 0.004 0.000 0.989 239 N HN 0.227 nan 8.380 nan 0.000 0.478 240 D N 0.986 121.423 120.400 0.061 0.000 2.358 240 D HA 0.090 4.730 4.640 0.000 0.000 0.244 240 D C 0.349 176.635 176.300 -0.023 0.000 1.163 240 D CA -0.117 53.889 54.000 0.011 0.000 0.945 240 D CB 1.669 42.463 40.800 -0.010 0.000 1.152 240 D HN -0.126 nan 8.370 nan 0.000 0.451 241 V N -0.831 119.039 119.914 -0.073 0.000 2.713 241 V HA 0.315 4.436 4.120 0.000 0.000 0.307 241 V C -1.962 173.902 176.094 -0.383 0.000 1.052 241 V CA -1.576 60.584 62.300 -0.235 0.000 0.967 241 V CB 1.360 33.143 31.823 -0.065 0.000 1.019 241 V HN 0.287 nan 8.190 nan 0.000 0.459 242 P HA -0.225 nan 4.420 nan 0.000 0.215 242 P C 1.591 178.792 177.300 -0.165 0.000 1.163 242 P CA 2.110 64.920 63.100 -0.484 0.000 0.894 242 P CB 0.006 31.287 31.700 -0.700 0.000 0.791 243 E N 0.258 120.360 120.200 -0.162 0.000 2.331 243 E HA -0.152 4.198 4.350 0.000 0.000 0.199 243 E C 1.453 178.038 176.600 -0.025 0.000 1.008 243 E CA 1.786 58.153 56.400 -0.056 0.000 0.843 243 E CB -1.071 28.605 29.700 -0.040 0.000 0.761 243 E HN 0.357 nan 8.360 nan 0.000 0.507 244 S N 0.341 116.020 115.700 -0.036 0.000 2.593 244 S HA 0.006 4.477 4.470 0.000 0.000 0.217 244 S C 0.907 175.513 174.600 0.009 0.000 0.966 244 S CA 0.171 58.364 58.200 -0.012 0.000 0.914 244 S CB -0.401 62.788 63.200 -0.017 0.000 0.776 244 S HN 0.376 nan 8.310 nan 0.000 0.523 245 T N -2.675 111.900 114.554 0.036 0.000 2.888 245 T HA 0.689 5.039 4.350 0.000 0.000 0.284 245 T C 1.220 175.962 174.700 0.070 0.000 1.017 245 T CA -0.216 61.928 62.100 0.074 0.000 1.022 245 T CB 1.430 70.398 68.868 0.167 0.000 1.013 245 T HN 0.058 nan 8.240 nan 0.000 0.465 246 G N 0.467 109.296 108.800 0.049 0.000 2.448 246 G HA2 -0.038 3.922 3.960 0.000 0.000 0.218 246 G HA3 -0.038 3.922 3.960 0.000 0.000 0.218 246 G C 0.931 175.833 174.900 0.004 0.000 1.135 246 G CA 0.024 45.136 45.100 0.020 0.000 0.784 246 G HN 0.711 nan 8.290 nan 0.000 0.543 247 F N 0.256 120.114 119.950 -0.154 0.000 2.163 247 F HA 0.200 4.728 4.527 0.001 0.000 0.297 247 F C 1.739 177.324 175.800 -0.358 0.000 1.094 247 F CA 1.002 58.802 58.000 -0.332 0.000 1.290 247 F CB 0.201 38.850 39.000 -0.586 0.000 1.017 247 F HN 0.109 nan 8.300 nan 0.000 0.483 248 F N 0.605 120.635 119.950 0.132 0.000 2.721 248 F HA 0.163 4.690 4.527 0.000 0.000 0.301 248 F C 1.033 176.783 175.800 -0.084 0.000 1.096 248 F CA -0.421 57.514 58.000 -0.109 0.000 1.308 248 F CB -0.750 38.140 39.000 -0.183 0.000 1.086 248 F HN -0.229 nan 8.300 nan 0.000 0.587 249 K N 1.060 121.542 120.400 0.137 0.000 2.286 249 K HA 0.222 4.542 4.320 0.000 0.000 0.256 249 K C 0.551 177.243 176.600 0.154 0.000 0.999 249 K CA -0.142 56.202 56.287 0.095 0.000 0.908 249 K CB 0.252 32.782 32.500 0.051 0.000 0.981 249 K HN 0.092 nan 8.250 nan 0.000 0.500 250 S N 0.835 116.601 115.700 0.110 0.000 2.558 250 S HA -0.041 4.429 4.470 0.000 0.000 0.288 250 S C 0.502 175.135 174.600 0.055 0.000 1.318 250 S CA 0.072 58.338 58.200 0.110 0.000 1.056 250 S CB 0.212 63.450 63.200 0.063 0.000 0.853 250 S HN 1.010 nan 8.310 nan 0.000 0.505 251 N N 0.694 119.399 118.700 0.008 0.000 2.714 251 N HA -0.131 4.610 4.740 0.000 0.000 0.250 251 N C 0.289 175.752 175.510 -0.077 0.000 1.117 251 N CA 1.206 54.217 53.050 -0.065 0.000 0.719 251 N CB -1.495 36.966 38.487 -0.044 0.000 1.081 251 N HN 1.065 nan 8.380 nan 0.000 0.557 252 G N -1.937 106.844 108.800 -0.032 0.000 2.553 252 G HA2 0.272 4.232 3.960 0.000 0.000 0.278 252 G HA3 0.272 4.232 3.960 0.000 0.000 0.278 252 G C 1.000 175.766 174.900 -0.223 0.000 1.349 252 G CA 0.338 45.402 45.100 -0.060 0.000 1.037 252 G HN 0.234 nan 8.290 nan 0.000 0.508 253 T N -0.239 114.114 114.554 -0.335 0.000 2.929 253 T HA -0.169 4.181 4.350 0.000 0.000 0.271 253 T C 1.906 176.168 174.700 -0.729 0.000 1.085 253 T CA 1.831 63.639 62.100 -0.486 0.000 1.125 253 T CB -0.374 68.234 68.868 -0.434 0.000 0.874 253 T HN 0.617 nan 8.240 nan 0.000 0.494 254 Y N 1.751 121.388 120.300 -1.105 0.000 2.574 254 Y HA 0.120 4.671 4.550 0.001 0.000 0.294 254 Y C 1.719 177.426 175.900 -0.321 0.000 1.142 254 Y CA -0.031 57.531 58.100 -0.898 0.000 1.314 254 Y CB -0.746 37.289 38.460 -0.708 0.000 0.991 254 Y HN 0.169 nan 8.280 nan 0.000 0.555 255 V N -3.206 116.244 119.914 -0.773 0.000 3.427 255 V HA 0.311 4.431 4.120 0.000 0.000 0.305 255 V C 0.541 176.447 176.094 -0.314 0.000 1.412 255 V CA -0.063 61.895 62.300 -0.570 0.000 1.086 255 V CB -0.674 30.753 31.823 -0.660 0.000 0.964 255 V HN 0.240 nan 8.190 nan 0.000 0.439 256 T N 0.988 115.358 114.554 -0.306 0.000 2.882 256 T HA 0.176 4.526 4.350 0.000 0.000 0.287 256 T C 1.089 175.676 174.700 -0.189 0.000 1.014 256 T CA 0.458 62.418 62.100 -0.233 0.000 1.049 256 T CB 1.850 70.556 68.868 -0.270 0.000 1.001 256 T HN 0.619 nan 8.240 nan 0.000 0.525 257 E N 1.522 121.632 120.200 -0.151 0.000 2.058 257 E HA -0.200 4.150 4.350 0.000 0.000 0.194 257 E C 2.018 178.455 176.600 -0.273 0.000 0.997 257 E CA 1.445 57.788 56.400 -0.095 0.000 0.801 257 E CB -0.009 29.695 29.700 0.007 0.000 0.746 257 E HN 0.650 nan 8.360 nan 0.000 0.450 258 K N -0.374 119.622 120.400 -0.673 0.000 2.057 258 K HA -0.069 4.251 4.320 0.000 0.000 0.207 258 K C 2.199 178.498 176.600 -0.502 0.000 1.049 258 K CA 1.462 56.937 56.287 -1.352 0.000 0.931 258 K CB -0.560 30.883 32.500 -1.761 0.000 0.714 258 K HN 0.139 nan 8.250 nan 0.000 0.440 259 G N 1.949 110.559 108.800 -0.317 0.000 2.421 259 G HA2 -0.231 3.729 3.960 0.000 0.000 0.216 259 G HA3 -0.231 3.729 3.960 0.000 0.000 0.216 259 G C 1.404 176.318 174.900 0.024 0.000 1.171 259 G CA 0.768 45.795 45.100 -0.121 0.000 0.775 259 G HN 0.300 nan 8.290 nan 0.000 0.543 260 K N -0.644 119.758 120.400 0.003 0.000 2.097 260 K HA -0.034 4.286 4.320 0.000 0.000 0.206 260 K C 2.159 178.868 176.600 0.183 0.000 1.049 260 K CA 0.978 57.343 56.287 0.130 0.000 0.933 260 K CB -0.284 32.313 32.500 0.161 0.000 0.717 260 K HN 0.338 nan 8.250 nan 0.000 0.442 261 F N 1.180 121.162 119.950 0.053 0.000 2.075 261 F HA -0.236 4.292 4.527 0.000 0.000 0.297 261 F C 2.105 178.050 175.800 0.242 0.000 1.113 261 F CA 1.312 59.411 58.000 0.166 0.000 1.218 261 F CB -0.443 38.669 39.000 0.186 0.000 0.984 261 F HN -0.034 nan 8.300 nan 0.000 0.472 262 F N 0.865 120.961 119.950 0.244 0.000 2.095 262 F HA -0.233 4.294 4.527 0.000 0.000 0.298 262 F C 1.899 177.734 175.800 0.058 0.000 1.104 262 F CA 1.898 60.012 58.000 0.190 0.000 1.232 262 F CB -0.847 38.104 39.000 -0.083 0.000 0.987 262 F HN -0.013 nan 8.300 nan 0.000 0.475 263 L N -0.442 120.542 121.223 -0.399 0.000 2.083 263 L HA -0.221 4.119 4.340 0.000 0.000 0.209 263 L C 2.349 178.960 176.870 -0.431 0.000 1.083 263 L CA 1.740 56.169 54.840 -0.684 0.000 0.752 263 L CB -1.107 40.325 42.059 -1.045 0.000 0.899 263 L HN 0.193 nan 8.230 nan 0.000 0.433 264 T N -1.448 113.021 114.554 -0.141 0.000 2.737 264 T HA -0.233 4.117 4.350 0.000 0.000 0.265 264 T C 1.339 176.028 174.700 -0.017 0.000 1.038 264 T CA 1.439 63.590 62.100 0.085 0.000 1.144 264 T CB -0.344 68.578 68.868 0.091 0.000 0.866 264 T HN 0.536 nan 8.240 nan 0.000 0.434 265 W N 0.834 121.964 121.300 -0.283 0.000 2.358 265 W HA -0.164 4.496 4.660 0.000 0.000 0.303 265 W C 2.048 178.501 176.519 -0.110 0.000 1.208 265 W CA 0.733 57.959 57.345 -0.199 0.000 1.274 265 W CB -0.622 28.749 29.460 -0.149 0.000 1.138 265 W HN 0.243 nan 8.180 nan 0.000 0.515 266 Y N 2.008 122.045 120.300 -0.439 0.000 2.097 266 Y HA -0.296 4.254 4.550 0.000 0.000 0.282 266 Y C 2.941 178.629 175.900 -0.353 0.000 1.152 266 Y CA 3.081 60.777 58.100 -0.674 0.000 1.136 266 Y CB -1.036 36.876 38.460 -0.914 0.000 0.975 266 Y HN 0.064 nan 8.280 nan 0.000 0.498 267 S N -0.359 115.244 115.700 -0.162 0.000 2.423 267 S HA -0.153 4.317 4.470 0.000 0.000 0.231 267 S C 1.774 176.294 174.600 -0.134 0.000 1.014 267 S CA 1.153 59.290 58.200 -0.106 0.000 0.965 267 S CB -0.553 62.696 63.200 0.083 0.000 0.785 267 S HN 0.454 nan 8.310 nan 0.000 0.495 268 N N 2.015 120.618 118.700 -0.161 0.000 2.166 268 N HA 0.015 4.756 4.740 0.000 0.000 0.186 268 N C 1.556 176.951 175.510 -0.192 0.000 1.019 268 N CA 0.949 53.914 53.050 -0.142 0.000 0.856 268 N CB -0.264 38.149 38.487 -0.123 0.000 0.993 268 N HN 0.340 nan 8.380 nan 0.000 0.426 269 K N 0.865 121.062 120.400 -0.338 0.000 2.103 269 K HA -0.035 4.285 4.320 0.000 0.000 0.207 269 K C 2.049 178.529 176.600 -0.201 0.000 1.048 269 K CA 0.562 56.669 56.287 -0.300 0.000 0.930 269 K CB -0.580 31.667 32.500 -0.422 0.000 0.716 269 K HN 0.302 nan 8.250 nan 0.000 0.444 270 L N 0.459 121.532 121.223 -0.251 0.000 2.093 270 L HA -0.124 4.217 4.340 0.000 0.000 0.208 270 L C 2.430 179.279 176.870 -0.035 0.000 1.085 270 L CA 0.796 55.522 54.840 -0.191 0.000 0.755 270 L CB -0.464 41.442 42.059 -0.255 0.000 0.904 270 L HN 0.085 nan 8.230 nan 0.000 0.435 271 L N -0.372 120.829 121.223 -0.036 0.000 2.046 271 L HA -0.205 4.135 4.340 0.000 0.000 0.208 271 L C 2.380 179.262 176.870 0.019 0.000 1.077 271 L CA 1.152 55.995 54.840 0.004 0.000 0.747 271 L CB -0.588 41.470 42.059 -0.001 0.000 0.896 271 L HN 0.382 nan 8.230 nan 0.000 0.432 272 N N -0.968 117.739 118.700 0.012 0.000 2.216 272 N HA -0.200 4.540 4.740 0.000 0.000 0.183 272 N C 1.822 177.365 175.510 0.055 0.000 1.017 272 N CA 1.130 54.198 53.050 0.030 0.000 0.861 272 N CB -0.245 38.254 38.487 0.020 0.000 0.986 272 N HN 0.401 nan 8.380 nan 0.000 0.428 273 H N 0.546 119.588 119.070 -0.046 0.000 2.290 273 H HA -0.053 4.503 4.556 0.000 0.000 0.298 273 H C 2.068 177.378 175.328 -0.030 0.000 1.087 273 H CA 2.331 58.358 56.048 -0.035 0.000 1.291 273 H CB -0.657 29.068 29.762 -0.062 0.000 1.369 273 H HN 0.197 nan 8.280 nan 0.000 0.492 274 G N -0.619 108.157 108.800 -0.039 0.000 2.418 274 G HA2 -0.305 3.655 3.960 0.000 0.000 0.217 274 G HA3 -0.305 3.655 3.960 0.000 0.000 0.217 274 G C 1.570 176.402 174.900 -0.114 0.000 1.158 274 G CA 0.982 46.013 45.100 -0.115 0.000 0.771 274 G HN 0.538 nan 8.290 nan 0.000 0.545 275 D N 0.165 120.555 120.400 -0.016 0.000 2.117 275 D HA -0.092 4.548 4.640 0.000 0.000 0.197 275 D C 2.615 178.939 176.300 0.041 0.000 0.987 275 D CA 1.165 55.214 54.000 0.082 0.000 0.829 275 D CB -0.138 40.733 40.800 0.119 0.000 0.961 275 D HN 0.432 nan 8.370 nan 0.000 0.460 276 Q N -0.501 119.292 119.800 -0.012 0.000 2.083 276 Q HA -0.019 4.321 4.340 0.000 0.000 0.198 276 Q C 2.466 178.425 176.000 -0.069 0.000 0.969 276 Q CA 0.855 56.648 55.803 -0.016 0.000 0.838 276 Q CB 0.078 28.810 28.738 -0.009 0.000 0.900 276 Q HN 0.415 nan 8.270 nan 0.000 0.436 277 I N 0.525 121.004 120.570 -0.152 0.000 2.394 277 I HA -0.243 3.927 4.170 0.000 0.000 0.251 277 I C 2.014 178.038 176.117 -0.156 0.000 1.136 277 I CA 0.895 62.099 61.300 -0.160 0.000 1.425 277 I CB -0.127 37.709 38.000 -0.274 0.000 1.079 277 I HN 0.206 nan 8.210 nan 0.000 0.425 278 L N 0.228 121.289 121.223 -0.271 0.000 2.201 278 L HA -0.193 4.147 4.340 0.000 0.000 0.212 278 L C 2.034 178.704 176.870 -0.334 0.000 1.105 278 L CA 0.930 55.504 54.840 -0.443 0.000 0.775 278 L CB -0.548 40.936 42.059 -0.959 0.000 0.913 278 L HN 0.268 nan 8.230 nan 0.000 0.440 279 D N -0.025 120.298 120.400 -0.127 0.000 2.117 279 D HA -0.169 4.471 4.640 0.000 0.000 0.197 279 D C 2.115 178.451 176.300 0.059 0.000 0.987 279 D CA 1.063 55.123 54.000 0.100 0.000 0.829 279 D CB 0.078 40.947 40.800 0.115 0.000 0.961 279 D HN 0.266 nan 8.370 nan 0.000 0.460 280 E N 0.710 120.922 120.200 0.021 0.000 2.150 280 E HA -0.085 4.265 4.350 0.000 0.000 0.193 280 E C 2.065 178.706 176.600 0.069 0.000 0.985 280 E CA 0.611 57.033 56.400 0.037 0.000 0.814 280 E CB -0.250 29.465 29.700 0.024 0.000 0.752 280 E HN 0.207 nan 8.360 nan 0.000 0.466 281 A N 1.526 124.394 122.820 0.080 0.000 1.902 281 A HA -0.208 4.113 4.320 0.000 0.000 0.217 281 A C 2.014 179.740 177.584 0.236 0.000 1.181 281 A CA 1.761 53.914 52.037 0.194 0.000 0.623 281 A CB -0.707 18.371 19.000 0.130 0.000 0.818 281 A HN 0.207 nan 8.150 nan 0.000 0.443 282 N N -0.280 118.515 118.700 0.158 0.000 2.120 282 N HA -0.125 4.615 4.740 0.000 0.000 0.188 282 N C 1.715 177.311 175.510 0.143 0.000 1.024 282 N CA 1.668 54.826 53.050 0.180 0.000 0.852 282 N CB -0.166 38.444 38.487 0.204 0.000 1.003 282 N HN 0.531 nan 8.380 nan 0.000 0.424 283 K N 0.232 120.692 120.400 0.100 0.000 2.026 283 K HA -0.009 4.311 4.320 0.000 0.000 0.208 283 K C 2.079 178.686 176.600 0.011 0.000 1.048 283 K CA 1.207 57.527 56.287 0.055 0.000 0.929 283 K CB -0.167 32.357 32.500 0.040 0.000 0.713 283 K HN 0.158 nan 8.250 nan 0.000 0.439 284 A N 0.725 123.529 122.820 -0.026 0.000 1.902 284 A HA -0.116 4.204 4.320 0.000 0.000 0.217 284 A C 1.488 178.848 177.584 -0.374 0.000 1.181 284 A CA 1.348 53.249 52.037 -0.225 0.000 0.623 284 A CB -0.449 18.354 19.000 -0.329 0.000 0.818 284 A HN 0.253 nan 8.150 nan 0.000 0.443 285 F N -0.484 119.498 119.950 0.055 0.000 2.639 285 F HA 0.346 4.873 4.527 -0.000 0.000 0.300 285 F C 0.595 176.418 175.800 0.037 0.000 1.109 285 F CA -0.587 57.443 58.000 0.050 0.000 1.335 285 F CB -0.028 39.006 39.000 0.056 0.000 1.014 285 F HN 0.082 nan 8.300 nan 0.000 0.537 286 L N 0.845 122.148 121.223 0.133 0.000 2.578 286 L HA 0.126 4.466 4.340 0.000 0.000 0.279 286 L C 1.392 178.307 176.870 0.074 0.000 1.227 286 L CA 1.277 56.173 54.840 0.095 0.000 0.900 286 L CB 0.313 42.406 42.059 0.057 0.000 1.144 286 L HN 0.614 nan 8.230 nan 0.000 0.496 287 G N 2.674 111.512 108.800 0.063 0.000 2.304 287 G HA2 -0.298 3.662 3.960 0.000 0.000 0.252 287 G HA3 -0.298 3.662 3.960 0.000 0.000 0.252 287 G C 0.428 175.360 174.900 0.053 0.000 1.014 287 G CA 0.130 45.256 45.100 0.043 0.000 0.619 287 G HN 0.707 nan 8.290 nan 0.000 0.525 288 C N 1.435 120.791 119.300 0.093 0.000 2.652 288 C HA 0.457 4.917 4.460 0.000 0.000 0.412 288 C C 1.293 176.325 174.990 0.071 0.000 1.294 288 C CA -0.248 58.832 59.018 0.102 0.000 2.127 288 C CB 0.832 28.690 27.740 0.196 0.000 2.691 288 C HN 0.428 nan 8.230 nan 0.000 0.615 289 K N 1.671 122.101 120.400 0.050 0.000 2.278 289 K HA 0.393 4.714 4.320 0.000 0.000 0.237 289 K C -0.474 176.143 176.600 0.028 0.000 1.229 289 K CA 0.172 56.478 56.287 0.031 0.000 1.155 289 K CB 0.111 32.626 32.500 0.023 0.000 1.590 289 K HN 0.487 nan 8.250 nan 0.000 0.290 290 V N 1.010 120.936 119.914 0.019 0.000 3.087 290 V HA 0.313 4.433 4.120 0.000 0.000 0.306 290 V C -1.337 174.739 176.094 -0.030 0.000 1.187 290 V CA -0.992 61.298 62.300 -0.017 0.000 0.999 290 V CB 2.371 34.153 31.823 -0.069 0.000 1.049 290 V HN 0.362 nan 8.190 nan 0.000 0.431 291 K N 3.083 123.461 120.400 -0.037 0.000 2.118 291 K HA 0.639 4.959 4.320 0.000 0.000 0.254 291 K C -1.456 175.096 176.600 -0.080 0.000 0.961 291 K CA -0.736 55.530 56.287 -0.035 0.000 0.876 291 K CB 1.736 34.235 32.500 -0.001 0.000 1.077 291 K HN 0.375 nan 8.250 nan 0.000 0.440 292 L N 1.369 122.560 121.223 -0.054 0.000 2.334 292 L HA 0.624 4.964 4.340 0.000 0.000 0.275 292 L C -0.588 176.252 176.870 -0.050 0.000 1.036 292 L CA 0.099 54.898 54.840 -0.069 0.000 0.807 292 L CB 1.580 43.629 42.059 -0.017 0.000 1.231 292 L HN 0.852 nan 8.230 nan 0.000 0.438 293 A N 3.485 126.269 122.820 -0.061 0.000 2.609 293 A HA 0.876 5.197 4.320 0.000 0.000 0.291 293 A C -1.292 176.269 177.584 -0.038 0.000 1.096 293 A CA -0.458 51.557 52.037 -0.037 0.000 0.684 293 A CB 1.479 20.464 19.000 -0.024 0.000 1.282 293 A HN 0.714 nan 8.150 nan 0.000 0.412 294 I N -2.131 118.429 120.570 -0.018 0.000 3.074 294 I HA 0.904 5.075 4.170 0.000 0.000 0.310 294 I C -0.943 175.181 176.117 0.011 0.000 1.153 294 I CA -1.094 60.197 61.300 -0.015 0.000 0.993 294 I CB 2.280 40.272 38.000 -0.014 0.000 1.237 294 I HN 0.500 nan 8.210 nan 0.000 0.443 295 K N 3.058 123.465 120.400 0.012 0.000 2.274 295 K HA 0.660 4.980 4.320 0.000 0.000 0.262 295 K C -1.742 174.902 176.600 0.074 0.000 0.961 295 K CA -0.543 55.765 56.287 0.036 0.000 0.833 295 K CB 1.771 34.274 32.500 0.004 0.000 1.102 295 K HN 0.592 nan 8.250 nan 0.000 0.436 296 V N 3.260 123.252 119.914 0.131 0.000 2.435 296 V HA 0.365 4.485 4.120 0.000 0.000 0.290 296 V C 0.009 176.234 176.094 0.219 0.000 1.030 296 V CA -0.831 61.583 62.300 0.190 0.000 0.881 296 V CB 1.562 33.458 31.823 0.121 0.000 0.983 296 V HN 0.895 nan 8.190 nan 0.000 0.445 297 S N 3.169 119.042 115.700 0.288 0.000 2.564 297 S HA 0.433 4.903 4.470 0.000 0.000 0.278 297 S C 0.554 175.257 174.600 0.172 0.000 1.333 297 S CA -0.064 58.278 58.200 0.237 0.000 1.048 297 S CB 0.699 64.119 63.200 0.366 0.000 0.900 297 S HN 1.065 nan 8.310 nan 0.000 0.505 298 G N 4.628 113.403 108.800 -0.042 0.000 2.741 298 G HA2 0.455 4.415 3.960 0.000 0.000 0.336 298 G HA3 0.455 4.415 3.960 0.000 0.000 0.336 298 G C -0.242 174.623 174.900 -0.058 0.000 1.022 298 G CA -0.499 44.517 45.100 -0.140 0.000 1.193 298 G HN 0.676 nan 8.290 nan 0.000 0.455 299 I N 3.975 124.459 120.570 -0.143 0.000 2.268 299 I HA 0.128 4.299 4.170 0.000 0.000 0.290 299 I C 1.034 176.849 176.117 -0.504 0.000 1.125 299 I CA -0.633 60.220 61.300 -0.746 0.000 1.236 299 I CB -0.087 37.556 38.000 -0.595 0.000 1.469 299 I HN 0.735 nan 8.210 nan 0.000 0.512 300 H N 3.203 122.154 119.070 -0.198 0.000 2.551 300 H HA 0.045 4.601 4.556 0.000 0.000 0.266 300 H C 0.171 175.616 175.328 0.195 0.000 0.964 300 H CA -0.667 55.411 56.048 0.050 0.000 1.180 300 H CB -0.438 29.386 29.762 0.103 0.000 1.408 300 H HN 0.546 nan 8.280 nan 0.000 0.563 301 W N -0.451 120.752 121.300 -0.161 0.000 2.287 301 W HA 0.332 4.992 4.660 0.000 0.000 0.313 301 W C -0.480 175.968 176.519 -0.118 0.000 1.267 301 W CA -1.322 55.889 57.345 -0.223 0.000 1.201 301 W CB 0.238 29.440 29.460 -0.430 0.000 1.196 301 W HN 0.310 nan 8.180 nan 0.000 0.536 302 W N 0.601 121.985 121.300 0.140 0.000 2.046 302 W HA -0.369 4.291 4.660 0.000 0.000 0.263 302 W C 1.371 177.816 176.519 -0.123 0.000 1.048 302 W CA 0.507 57.835 57.345 -0.028 0.000 0.474 302 W CB -2.236 27.160 29.460 -0.107 0.000 2.069 302 W HN 0.695 nan 8.180 nan 0.000 1.264 303 Y N 1.328 121.640 120.300 0.020 0.000 2.352 303 Y HA -0.070 4.480 4.550 0.000 0.000 0.292 303 Y C 2.063 177.815 175.900 -0.246 0.000 1.136 303 Y CA 2.228 60.282 58.100 -0.076 0.000 1.227 303 Y CB -0.091 38.453 38.460 0.140 0.000 0.991 303 Y HN -0.043 nan 8.280 nan 0.000 0.545 304 K N 0.241 120.665 120.400 0.041 0.000 2.487 304 K HA 0.097 4.418 4.320 0.000 0.000 0.192 304 K C -0.013 176.555 176.600 -0.054 0.000 1.027 304 K CA 0.406 56.700 56.287 0.012 0.000 1.054 304 K CB 0.201 32.759 32.500 0.096 0.000 0.824 304 K HN 0.161 nan 8.250 nan 0.000 0.510 305 V N -2.018 117.835 119.914 -0.102 0.000 2.850 305 V HA 0.238 4.358 4.120 0.000 0.000 0.315 305 V C 1.161 177.160 176.094 -0.158 0.000 1.064 305 V CA -0.845 61.426 62.300 -0.048 0.000 0.979 305 V CB 1.943 33.805 31.823 0.064 0.000 1.039 305 V HN 0.063 nan 8.190 nan 0.000 0.452 306 E N 2.323 122.510 120.200 -0.021 0.000 2.160 306 E HA -0.267 4.083 4.350 0.000 0.000 0.195 306 E C 1.607 178.304 176.600 0.161 0.000 0.991 306 E CA 2.266 58.714 56.400 0.081 0.000 0.810 306 E CB 0.013 29.799 29.700 0.143 0.000 0.742 306 E HN 1.022 nan 8.360 nan 0.000 0.466 307 N N -0.967 117.739 118.700 0.010 0.000 2.463 307 N HA -0.131 4.609 4.740 0.000 0.000 0.181 307 N C -0.198 175.303 175.510 -0.016 0.000 1.078 307 N CA 0.571 53.520 53.050 -0.168 0.000 0.902 307 N CB -0.128 38.088 38.487 -0.451 0.000 0.970 307 N HN 0.150 nan 8.380 nan 0.000 0.451 308 H N -0.839 118.193 119.070 -0.063 0.000 2.484 308 H HA -0.211 4.345 4.556 0.000 0.000 0.321 308 H C 1.376 176.641 175.328 -0.106 0.000 1.065 308 H CA 0.485 56.526 56.048 -0.013 0.000 1.118 308 H CB -1.171 28.606 29.762 0.025 0.000 1.511 308 H HN 0.602 nan 8.280 nan 0.000 0.403 309 A N 0.804 123.438 122.820 -0.310 0.000 1.884 309 A HA -0.182 4.138 4.320 0.000 0.000 0.219 309 A C 2.568 179.872 177.584 -0.466 0.000 1.197 309 A CA 2.576 54.113 52.037 -0.833 0.000 0.637 309 A CB -0.852 17.280 19.000 -1.447 0.000 0.827 309 A HN 0.659 nan 8.150 nan 0.000 0.450 310 A N -0.598 122.115 122.820 -0.180 0.000 1.883 310 A HA -0.232 4.088 4.320 0.000 0.000 0.217 310 A C 1.934 179.425 177.584 -0.155 0.000 1.186 310 A CA 1.943 53.892 52.037 -0.146 0.000 0.624 310 A CB -0.672 18.080 19.000 -0.412 0.000 0.822 310 A HN 0.674 nan 8.150 nan 0.000 0.444 311 E N -0.168 120.001 120.200 -0.051 0.000 2.058 311 E HA -0.168 4.182 4.350 0.000 0.000 0.194 311 E C 2.012 178.705 176.600 0.156 0.000 0.997 311 E CA 1.284 57.762 56.400 0.130 0.000 0.801 311 E CB -0.317 29.545 29.700 0.269 0.000 0.746 311 E HN 0.627 nan 8.360 nan 0.000 0.450 312 L N 0.747 122.072 121.223 0.170 0.000 2.012 312 L HA -0.195 4.146 4.340 0.000 0.000 0.210 312 L C 2.852 179.909 176.870 0.312 0.000 1.073 312 L CA 1.810 56.831 54.840 0.302 0.000 0.748 312 L CB -1.292 41.050 42.059 0.473 0.000 0.891 312 L HN 0.366 nan 8.230 nan 0.000 0.431 313 T N -2.677 111.869 114.554 -0.012 0.000 2.962 313 T HA -0.029 4.322 4.350 0.000 0.000 0.270 313 T C 1.802 176.585 174.700 0.139 0.000 1.088 313 T CA 0.818 62.769 62.100 -0.249 0.000 1.127 313 T CB -0.200 68.344 68.868 -0.539 0.000 0.883 313 T HN 0.321 nan 8.240 nan 0.000 0.493 314 A N 0.997 123.871 122.820 0.091 0.000 2.119 314 A HA 0.545 4.865 4.320 0.000 0.000 0.216 314 A C 2.124 179.651 177.584 -0.096 0.000 1.152 314 A CA 0.847 52.892 52.037 0.015 0.000 0.708 314 A CB -0.925 18.037 19.000 -0.064 0.000 0.805 314 A HN 1.356 nan 8.150 nan 0.000 0.460 315 G N -2.981 105.850 108.800 0.051 0.000 2.168 315 G HA2 -0.191 3.769 3.960 0.000 0.000 0.197 315 G HA3 -0.191 3.769 3.960 0.000 0.000 0.197 315 G C -0.296 174.519 174.900 -0.141 0.000 0.997 315 G CA 0.030 45.085 45.100 -0.074 0.000 0.658 315 G HN 0.358 nan 8.290 nan 0.000 0.513 316 Y N 0.572 120.937 120.300 0.109 0.000 2.504 316 Y HA 0.497 5.047 4.550 0.000 0.000 0.339 316 Y C 0.316 176.239 175.900 0.039 0.000 0.974 316 Y CA -2.251 55.829 58.100 -0.032 0.000 1.232 316 Y CB 0.508 38.893 38.460 -0.125 0.000 1.108 316 Y HN 0.198 nan 8.280 nan 0.000 0.509 317 Y N 4.190 124.512 120.300 0.036 0.000 2.734 317 Y HA 0.143 4.693 4.550 0.000 0.000 0.353 317 Y C -0.333 175.520 175.900 -0.078 0.000 1.244 317 Y CA -0.989 57.134 58.100 0.039 0.000 1.950 317 Y CB -0.680 37.806 38.460 0.044 0.000 2.028 317 Y HN 0.551 nan 8.280 nan 0.000 0.421 318 N N 3.895 122.604 118.700 0.014 0.000 2.469 318 N HA 0.471 5.211 4.740 0.000 0.000 0.253 318 N C -1.501 173.793 175.510 -0.359 0.000 0.970 318 N CA -0.260 52.632 53.050 -0.264 0.000 0.940 318 N CB 0.657 38.886 38.487 -0.432 0.000 1.128 318 N HN 0.433 nan 8.380 nan 0.000 0.503 319 L N 1.833 122.869 121.223 -0.312 0.000 2.257 319 L HA 0.503 4.843 4.340 0.000 0.000 0.257 319 L C 1.024 177.773 176.870 -0.201 0.000 1.033 319 L CA -1.093 53.613 54.840 -0.224 0.000 0.835 319 L CB 1.287 43.386 42.059 0.067 0.000 1.398 319 L HN 0.443 nan 8.230 nan 0.000 0.429 320 N N 0.773 119.459 118.700 -0.024 0.000 2.453 320 N HA -0.117 4.623 4.740 0.000 0.000 0.183 320 N C 0.269 175.763 175.510 -0.026 0.000 1.041 320 N CA 0.890 53.936 53.050 -0.008 0.000 0.900 320 N CB -0.165 38.357 38.487 0.058 0.000 0.961 320 N HN 0.600 nan 8.380 nan 0.000 0.443 321 D N -1.063 119.317 120.400 -0.033 0.000 2.501 321 D HA 0.105 4.746 4.640 0.000 0.000 0.224 321 D C 0.082 176.326 176.300 -0.094 0.000 1.202 321 D CA -0.197 53.775 54.000 -0.046 0.000 0.829 321 D CB 0.252 41.038 40.800 -0.024 0.000 1.023 321 D HN 0.003 nan 8.370 nan 0.000 0.499 322 R N 0.798 121.213 120.500 -0.142 0.000 2.585 322 R HA 0.122 4.462 4.340 0.000 0.000 0.288 322 R C -1.825 174.339 176.300 -0.227 0.000 1.194 322 R CA -0.477 55.492 56.100 -0.218 0.000 1.006 322 R CB 1.025 31.097 30.300 -0.380 0.000 1.229 322 R HN -0.147 nan 8.270 nan 0.000 0.412 323 D N 2.974 123.271 120.400 -0.171 0.000 2.338 323 D HA 0.112 4.753 4.640 0.000 0.000 0.255 323 D C 0.622 176.801 176.300 -0.202 0.000 1.237 323 D CA 0.429 54.340 54.000 -0.147 0.000 0.883 323 D CB 1.401 42.154 40.800 -0.077 0.000 1.087 323 D HN 0.823 nan 8.370 nan 0.000 0.485 324 G N 2.756 111.364 108.800 -0.319 0.000 3.141 324 G HA2 -0.091 3.869 3.960 0.000 0.000 0.218 324 G HA3 -0.091 3.869 3.960 0.000 0.000 0.218 324 G C 0.502 175.101 174.900 -0.502 0.000 1.170 324 G CA 0.158 45.027 45.100 -0.385 0.000 0.769 324 G HN 0.456 nan 8.290 nan 0.000 0.546 325 Y N -0.898 119.342 120.300 -0.101 0.000 2.609 325 Y HA 0.287 4.837 4.550 0.000 0.000 0.281 325 Y C 2.506 178.329 175.900 -0.129 0.000 1.132 325 Y CA -0.294 57.710 58.100 -0.161 0.000 1.264 325 Y CB -0.086 38.214 38.460 -0.267 0.000 1.325 325 Y HN 0.070 nan 8.280 nan 0.000 0.514 326 R N 0.714 121.235 120.500 0.035 0.000 2.139 326 R HA -0.140 4.201 4.340 0.000 0.000 0.243 326 R C -1.148 175.149 176.300 -0.005 0.000 1.145 326 R CA 1.683 57.784 56.100 0.002 0.000 0.976 326 R CB -1.005 29.291 30.300 -0.006 0.000 0.866 326 R HN 0.234 nan 8.270 nan 0.000 0.449 327 P HA -0.090 nan 4.420 nan 0.000 0.217 327 P C 0.892 178.195 177.300 0.005 0.000 1.151 327 P CA 1.138 64.233 63.100 -0.010 0.000 0.828 327 P CB 0.060 31.748 31.700 -0.020 0.000 0.788 328 I N -0.504 120.076 120.570 0.016 0.000 2.179 328 I HA -0.254 3.916 4.170 0.000 0.000 0.242 328 I C 2.310 178.436 176.117 0.015 0.000 1.088 328 I CA 1.499 62.818 61.300 0.031 0.000 1.357 328 I CB -0.890 37.144 38.000 0.057 0.000 1.051 328 I HN -0.082 nan 8.210 nan 0.000 0.409 329 A N 0.855 123.675 122.820 -0.001 0.000 1.908 329 A HA -0.273 4.047 4.320 0.000 0.000 0.218 329 A C 2.381 179.963 177.584 -0.004 0.000 1.181 329 A CA 2.067 54.096 52.037 -0.012 0.000 0.627 329 A CB -0.644 18.340 19.000 -0.027 0.000 0.818 329 A HN 0.331 nan 8.150 nan 0.000 0.445 330 R N -1.067 119.432 120.500 -0.002 0.000 2.096 330 R HA -0.094 4.246 4.340 0.000 0.000 0.235 330 R C 2.214 178.504 176.300 -0.016 0.000 1.127 330 R CA 1.730 57.825 56.100 -0.008 0.000 0.968 330 R CB -0.331 29.965 30.300 -0.007 0.000 0.861 330 R HN 0.508 nan 8.270 nan 0.000 0.440 331 M N 0.343 119.944 119.600 0.003 0.000 2.159 331 M HA -0.128 4.352 4.480 0.000 0.000 0.263 331 M C 1.593 177.925 176.300 0.053 0.000 1.063 331 M CA 1.687 57.000 55.300 0.021 0.000 1.110 331 M CB -0.245 32.381 32.600 0.043 0.000 1.374 331 M HN 0.306 nan 8.290 nan 0.000 0.411 332 L N -0.796 120.454 121.223 0.045 0.000 2.201 332 L HA -0.145 4.196 4.340 0.000 0.000 0.212 332 L C 2.581 179.447 176.870 -0.008 0.000 1.105 332 L CA 0.810 55.687 54.840 0.062 0.000 0.775 332 L CB -0.847 41.228 42.059 0.026 0.000 0.913 332 L HN 0.351 nan 8.230 nan 0.000 0.440 333 S N 1.138 116.801 115.700 -0.061 0.000 2.369 333 S HA -0.275 4.195 4.470 0.000 0.000 0.225 333 S C 2.177 176.591 174.600 -0.310 0.000 1.043 333 S CA 2.159 60.280 58.200 -0.131 0.000 1.074 333 S CB -0.181 62.964 63.200 -0.093 0.000 0.962 333 S HN 0.553 nan 8.310 nan 0.000 0.433 334 R N -0.379 119.922 120.500 -0.332 0.000 2.200 334 R HA -0.085 4.255 4.340 0.000 0.000 0.234 334 R C 1.555 177.472 176.300 -0.638 0.000 1.127 334 R CA 1.864 57.669 56.100 -0.492 0.000 0.989 334 R CB -0.831 29.204 30.300 -0.441 0.000 0.869 334 R HN 0.544 nan 8.270 nan 0.000 0.459 335 H N -0.054 118.857 119.070 -0.265 0.000 2.551 335 H HA 0.081 4.637 4.556 0.001 0.000 0.271 335 H C -0.173 175.130 175.328 -0.042 0.000 0.984 335 H CA 0.590 56.571 56.048 -0.113 0.000 1.164 335 H CB 0.039 29.779 29.762 -0.036 0.000 1.437 335 H HN 0.492 nan 8.280 nan 0.000 0.550 336 H N -1.045 118.057 119.070 0.054 0.000 2.820 336 H HA -0.120 4.436 4.556 0.000 0.000 0.295 336 H C 0.486 175.808 175.328 -0.011 0.000 1.187 336 H CA 0.348 56.398 56.048 0.002 0.000 1.144 336 H CB -1.608 28.147 29.762 -0.011 0.000 1.354 336 H HN 0.482 nan 8.280 nan 0.000 0.395 337 A N 0.352 123.216 122.820 0.073 0.000 2.286 337 A HA 0.634 4.954 4.320 0.000 0.000 0.286 337 A C 0.559 178.134 177.584 -0.014 0.000 1.097 337 A CA -0.537 51.517 52.037 0.028 0.000 0.821 337 A CB 0.742 19.761 19.000 0.030 0.000 1.076 337 A HN 0.329 nan 8.150 nan 0.000 0.490 338 I N 0.939 121.491 120.570 -0.030 0.000 2.396 338 I HA 0.225 4.395 4.170 0.000 0.000 0.292 338 I C -0.084 176.036 176.117 0.005 0.000 0.999 338 I CA -0.147 61.137 61.300 -0.027 0.000 1.310 338 I CB 1.266 39.262 38.000 -0.007 0.000 1.404 338 I HN 0.551 nan 8.210 nan 0.000 0.496 339 L N 7.205 128.434 121.223 0.011 0.000 2.255 339 L HA 0.333 4.674 4.340 0.000 0.000 0.289 339 L C -0.150 176.752 176.870 0.054 0.000 1.046 339 L CA -0.110 54.736 54.840 0.009 0.000 0.816 339 L CB 0.222 42.256 42.059 -0.043 0.000 1.197 339 L HN 0.659 nan 8.230 nan 0.000 0.427 340 N N 4.183 122.928 118.700 0.075 0.000 2.439 340 N HA 0.182 4.922 4.740 0.000 0.000 0.249 340 N C -0.766 174.846 175.510 0.171 0.000 1.003 340 N CA -0.531 52.587 53.050 0.112 0.000 0.942 340 N CB 0.698 39.231 38.487 0.076 0.000 1.115 340 N HN 0.414 nan 8.380 nan 0.000 0.505 341 F N 2.101 122.034 119.950 -0.028 0.000 2.363 341 F HA 0.560 5.087 4.527 0.001 0.000 0.332 341 F C 0.790 176.572 175.800 -0.029 0.000 1.039 341 F CA -0.302 57.657 58.000 -0.067 0.000 1.127 341 F CB 1.369 40.294 39.000 -0.124 0.000 1.701 341 F HN 0.284 nan 8.300 nan 0.000 0.532 342 T N -1.885 112.163 114.554 -0.843 0.000 2.648 342 T HA 0.338 4.688 4.350 0.000 0.000 0.304 342 T C -0.688 173.640 174.700 -0.619 0.000 1.312 342 T CA 0.261 62.025 62.100 -0.559 0.000 1.023 342 T CB 0.320 68.933 68.868 -0.425 0.000 1.612 342 T HN 0.795 nan 8.240 nan 0.000 0.487 343 C N 0.514 119.607 119.300 -0.345 0.000 4.497 343 C HA -0.118 4.343 4.460 0.000 0.000 0.268 343 C C 2.053 176.956 174.990 -0.145 0.000 1.343 343 C CA 0.619 59.490 59.018 -0.244 0.000 1.742 343 C CB -2.905 24.671 27.740 -0.275 0.000 1.450 343 C HN 0.779 nan 8.230 nan 0.000 0.733 344 L N 1.205 122.376 121.223 -0.087 0.000 2.349 344 L HA -0.155 4.185 4.340 0.000 0.000 0.220 344 L C 2.578 179.453 176.870 0.008 0.000 1.130 344 L CA 2.256 57.107 54.840 0.019 0.000 0.791 344 L CB -0.368 41.744 42.059 0.087 0.000 0.918 344 L HN 0.714 nan 8.230 nan 0.000 0.444 345 E N 0.190 120.352 120.200 -0.063 0.000 2.431 345 E HA 0.005 4.355 4.350 0.000 0.000 0.200 345 E C 0.806 177.341 176.600 -0.109 0.000 0.995 345 E CA -0.038 56.308 56.400 -0.090 0.000 0.915 345 E CB 0.071 29.676 29.700 -0.159 0.000 0.930 345 E HN 0.373 nan 8.360 nan 0.000 0.496 346 M N 1.717 121.239 119.600 -0.131 0.000 2.228 346 M HA 0.279 4.760 4.480 0.000 0.000 0.351 346 M C 0.299 176.528 176.300 -0.119 0.000 1.233 346 M CA 0.311 55.516 55.300 -0.159 0.000 1.129 346 M CB 0.848 33.303 32.600 -0.243 0.000 1.604 346 M HN -0.222 nan 8.290 nan 0.000 0.457 347 R N 1.330 121.763 120.500 -0.111 0.000 2.562 347 R HA 0.211 4.551 4.340 0.000 0.000 0.298 347 R C -0.087 176.162 176.300 -0.085 0.000 0.961 347 R CA -0.886 55.169 56.100 -0.075 0.000 0.881 347 R CB 1.513 31.784 30.300 -0.047 0.000 1.159 347 R HN 0.649 nan 8.270 nan 0.000 0.450 348 D N 0.678 121.039 120.400 -0.065 0.000 2.149 348 D HA -0.201 4.439 4.640 0.000 0.000 0.194 348 D C 1.638 177.917 176.300 -0.036 0.000 1.001 348 D CA 2.136 56.107 54.000 -0.048 0.000 0.849 348 D CB -0.108 40.681 40.800 -0.019 0.000 0.939 348 D HN 0.553 nan 8.370 nan 0.000 0.449 349 S N -0.010 115.672 115.700 -0.029 0.000 2.537 349 S HA -0.138 4.332 4.470 0.000 0.000 0.240 349 S C 1.437 176.017 174.600 -0.033 0.000 0.981 349 S CA 0.680 58.867 58.200 -0.023 0.000 0.948 349 S CB -0.335 62.855 63.200 -0.017 0.000 0.759 349 S HN 0.373 nan 8.310 nan 0.000 0.531 350 E N 0.413 120.581 120.200 -0.054 0.000 2.447 350 E HA 0.104 4.454 4.350 0.000 0.000 0.195 350 E C 0.183 176.746 176.600 -0.061 0.000 1.028 350 E CA 0.113 56.474 56.400 -0.066 0.000 0.876 350 E CB 0.149 29.791 29.700 -0.097 0.000 0.885 350 E HN 0.536 nan 8.360 nan 0.000 0.500 351 Q N 1.065 120.841 119.800 -0.041 0.000 2.214 351 Q HA 0.330 4.670 4.340 0.000 0.000 0.251 351 Q C -2.321 173.701 176.000 0.037 0.000 0.936 351 Q CA -2.370 53.444 55.803 0.018 0.000 0.894 351 Q CB 0.318 29.095 28.738 0.066 0.000 1.252 351 Q HN -0.062 nan 8.270 nan 0.000 0.448 352 P HA -0.002 nan 4.420 nan 0.000 0.268 352 P C 0.562 177.852 177.300 -0.016 0.000 1.205 352 P CA 0.141 63.254 63.100 0.022 0.000 0.771 352 P CB 0.649 32.365 31.700 0.028 0.000 0.858 353 S N 1.438 117.124 115.700 -0.024 0.000 2.400 353 S HA -0.211 4.259 4.470 0.000 0.000 0.232 353 S C 1.358 175.920 174.600 -0.063 0.000 1.025 353 S CA 1.453 59.636 58.200 -0.029 0.000 0.993 353 S CB -0.857 62.335 63.200 -0.013 0.000 0.808 353 S HN 0.622 nan 8.310 nan 0.000 0.478 354 D N 1.931 122.279 120.400 -0.087 0.000 2.371 354 D HA 0.108 4.748 4.640 0.000 0.000 0.221 354 D C 1.490 177.600 176.300 -0.317 0.000 0.986 354 D CA 0.868 54.797 54.000 -0.119 0.000 0.899 354 D CB -0.261 40.485 40.800 -0.090 0.000 0.902 354 D HN 0.594 nan 8.370 nan 0.000 0.530 355 A N 0.440 123.033 122.820 -0.378 0.000 2.195 355 A HA 0.048 4.368 4.320 0.000 0.000 0.210 355 A C 0.917 178.103 177.584 -0.663 0.000 1.165 355 A CA -0.158 51.462 52.037 -0.694 0.000 0.806 355 A CB -0.141 18.577 19.000 -0.471 0.000 0.847 355 A HN 0.005 nan 8.150 nan 0.000 0.482 356 K N 0.518 120.732 120.400 -0.310 0.000 3.071 356 K HA -0.148 4.173 4.320 0.000 0.000 0.262 356 K C 0.123 176.716 176.600 -0.013 0.000 0.977 356 K CA 0.979 57.198 56.287 -0.112 0.000 0.721 356 K CB -2.277 30.214 32.500 -0.014 0.000 1.293 356 K HN 0.535 nan 8.250 nan 0.000 0.475 357 S N -0.298 115.431 115.700 0.050 0.000 2.499 357 S HA 0.464 4.934 4.470 0.000 0.000 0.275 357 S C 0.882 175.575 174.600 0.155 0.000 1.257 357 S CA 0.244 58.575 58.200 0.219 0.000 1.050 357 S CB 0.944 64.358 63.200 0.356 0.000 0.937 357 S HN 0.425 nan 8.310 nan 0.000 0.490 358 G N 5.775 114.677 108.800 0.170 0.000 4.959 358 G HA2 0.324 4.284 3.960 0.000 0.000 0.297 358 G HA3 0.324 4.284 3.960 0.000 0.000 0.297 358 G C -1.494 173.301 174.900 -0.175 0.000 1.351 358 G CA -0.921 44.205 45.100 0.043 0.000 1.016 358 G HN 0.607 nan 8.290 nan 0.000 0.592 359 P HA -0.237 nan 4.420 nan 0.000 0.216 359 P C 1.512 178.695 177.300 -0.195 0.000 1.153 359 P CA 1.175 64.174 63.100 -0.169 0.000 0.858 359 P CB 0.436 31.982 31.700 -0.257 0.000 0.789 360 Q N -0.237 119.462 119.800 -0.169 0.000 2.096 360 Q HA -0.201 4.139 4.340 0.000 0.000 0.204 360 Q C 2.203 178.043 176.000 -0.267 0.000 0.982 360 Q CA 1.668 57.368 55.803 -0.171 0.000 0.850 360 Q CB -0.361 28.308 28.738 -0.115 0.000 0.901 360 Q HN 0.300 nan 8.270 nan 0.000 0.422 361 E N 0.358 120.404 120.200 -0.257 0.000 2.152 361 E HA -0.135 4.215 4.350 0.000 0.000 0.192 361 E C 1.654 178.015 176.600 -0.398 0.000 0.983 361 E CA 0.398 56.648 56.400 -0.250 0.000 0.818 361 E CB -0.138 29.561 29.700 -0.002 0.000 0.758 361 E HN 0.155 nan 8.360 nan 0.000 0.467 362 L N 0.118 120.946 121.223 -0.658 0.000 2.017 362 L HA -0.136 4.205 4.340 0.000 0.000 0.208 362 L C 1.982 178.654 176.870 -0.330 0.000 1.073 362 L CA 1.457 55.922 54.840 -0.625 0.000 0.745 362 L CB -0.542 41.196 42.059 -0.535 0.000 0.894 362 L HN 0.010 nan 8.230 nan 0.000 0.432 363 V N 0.039 119.850 119.914 -0.172 0.000 2.255 363 V HA -0.369 3.751 4.120 0.000 0.000 0.247 363 V C 2.647 178.555 176.094 -0.310 0.000 1.051 363 V CA 2.163 64.429 62.300 -0.058 0.000 1.018 363 V CB -0.860 30.983 31.823 0.033 0.000 0.641 363 V HN 0.728 nan 8.190 nan 0.000 0.445 364 Q N -0.321 119.147 119.800 -0.554 0.000 2.152 364 Q HA -0.320 4.021 4.340 0.000 0.000 0.206 364 Q C 2.339 178.060 176.000 -0.465 0.000 0.985 364 Q CA 2.394 57.622 55.803 -0.958 0.000 0.863 364 Q CB -0.195 27.835 28.738 -1.180 0.000 0.904 364 Q HN 0.759 nan 8.270 nan 0.000 0.422 365 Q N -0.363 119.242 119.800 -0.324 0.000 2.016 365 Q HA -0.137 4.204 4.340 0.000 0.000 0.200 365 Q C 2.146 177.986 176.000 -0.265 0.000 0.978 365 Q CA 1.816 57.507 55.803 -0.187 0.000 0.833 365 Q CB 0.053 28.763 28.738 -0.047 0.000 0.895 365 Q HN 0.380 nan 8.270 nan 0.000 0.427 366 V N 1.192 120.809 119.914 -0.496 0.000 2.255 366 V HA -0.295 3.825 4.120 0.000 0.000 0.247 366 V C 2.430 178.197 176.094 -0.545 0.000 1.051 366 V CA 1.509 63.388 62.300 -0.702 0.000 1.018 366 V CB -0.645 30.301 31.823 -1.461 0.000 0.641 366 V HN 0.316 nan 8.190 nan 0.000 0.445 367 L N 0.122 121.027 121.223 -0.530 0.000 2.012 367 L HA -0.156 4.184 4.340 0.000 0.000 0.210 367 L C 2.657 179.075 176.870 -0.752 0.000 1.073 367 L CA 2.136 56.537 54.840 -0.732 0.000 0.748 367 L CB -1.090 40.593 42.059 -0.626 0.000 0.891 367 L HN 0.268 nan 8.230 nan 0.000 0.431 368 S N -0.547 115.046 115.700 -0.177 0.000 2.370 368 S HA -0.151 4.319 4.470 0.000 0.000 0.226 368 S C 2.028 176.761 174.600 0.221 0.000 1.033 368 S CA 1.158 59.571 58.200 0.355 0.000 1.011 368 S CB -0.830 62.609 63.200 0.398 0.000 0.852 368 S HN 0.617 nan 8.310 nan 0.000 0.457 369 G N 1.057 109.853 108.800 -0.008 0.000 2.422 369 G HA2 -0.035 3.925 3.960 0.000 0.000 0.218 369 G HA3 -0.035 3.925 3.960 0.000 0.000 0.218 369 G C 1.385 176.284 174.900 -0.002 0.000 1.146 369 G CA 0.926 46.024 45.100 -0.003 0.000 0.769 369 G HN 0.559 nan 8.290 nan 0.000 0.547 370 G N 0.066 108.789 108.800 -0.127 0.000 2.404 370 G HA2 -0.150 3.811 3.960 0.000 0.000 0.215 370 G HA3 -0.150 3.811 3.960 0.000 0.000 0.215 370 G C 1.563 176.514 174.900 0.084 0.000 1.174 370 G CA 0.819 45.856 45.100 -0.105 0.000 0.780 370 G HN 0.371 nan 8.290 nan 0.000 0.537 371 W N 0.886 122.254 121.300 0.112 0.000 2.374 371 W HA 0.054 4.715 4.660 0.000 0.000 0.288 371 W C 2.611 179.232 176.519 0.170 0.000 1.218 371 W CA 0.647 58.045 57.345 0.088 0.000 1.245 371 W CB -0.712 28.730 29.460 -0.030 0.000 1.126 371 W HN 0.236 nan 8.180 nan 0.000 0.545 372 R N 1.014 121.797 120.500 0.472 0.000 2.120 372 R HA -0.128 4.212 4.340 0.000 0.000 0.234 372 R C 1.604 178.021 176.300 0.194 0.000 1.123 372 R CA 1.511 57.818 56.100 0.344 0.000 0.975 372 R CB -0.284 30.153 30.300 0.227 0.000 0.866 372 R HN -0.171 nan 8.270 nan 0.000 0.446 373 E N 0.464 120.753 120.200 0.148 0.000 2.489 373 E HA -0.031 4.319 4.350 0.000 0.000 0.193 373 E C -0.336 176.315 176.600 0.086 0.000 1.057 373 E CA 0.340 56.792 56.400 0.087 0.000 0.866 373 E CB 0.051 29.779 29.700 0.048 0.000 0.916 373 E HN 0.297 nan 8.360 nan 0.000 0.500 374 D N 0.551 121.031 120.400 0.132 0.000 2.716 374 D HA -0.185 4.455 4.640 0.000 0.000 0.239 374 D C -0.381 175.969 176.300 0.083 0.000 1.125 374 D CA 0.527 54.594 54.000 0.113 0.000 0.681 374 D CB -1.485 39.360 40.800 0.075 0.000 1.070 374 D HN 0.423 nan 8.370 nan 0.000 0.432 375 I N -3.495 117.136 120.570 0.100 0.000 3.067 375 I HA 0.645 4.815 4.170 0.000 0.000 0.312 375 I C 0.239 176.407 176.117 0.086 0.000 1.073 375 I CA -1.368 59.961 61.300 0.049 0.000 1.016 375 I CB 1.630 39.640 38.000 0.017 0.000 1.227 375 I HN -0.208 nan 8.210 nan 0.000 0.456 376 R N 1.660 122.155 120.500 -0.007 0.000 2.459 376 R HA 0.712 5.053 4.340 0.000 0.000 0.281 376 R C -1.210 175.139 176.300 0.082 0.000 1.050 376 R CA -0.788 55.314 56.100 0.003 0.000 1.055 376 R CB 1.838 31.908 30.300 -0.383 0.000 1.045 376 R HN 0.477 nan 8.270 nan 0.000 0.495 377 V N 1.599 121.650 119.914 0.228 0.000 2.588 377 V HA 0.672 4.792 4.120 0.000 0.000 0.304 377 V C -0.345 175.910 176.094 0.269 0.000 1.042 377 V CA -0.719 61.673 62.300 0.154 0.000 0.877 377 V CB 1.621 33.414 31.823 -0.049 0.000 0.996 377 V HN 0.978 nan 8.190 nan 0.000 0.425 378 A N 3.029 125.982 122.820 0.222 0.000 2.437 378 A HA 1.090 5.410 4.320 0.000 0.000 0.292 378 A C -0.003 177.709 177.584 0.213 0.000 1.173 378 A CA -0.203 51.990 52.037 0.259 0.000 0.785 378 A CB 2.150 21.308 19.000 0.264 0.000 1.351 378 A HN 1.480 nan 8.150 nan 0.000 0.431 379 G N -0.947 107.977 108.800 0.207 0.000 2.559 379 G HA2 0.591 4.551 3.960 0.000 0.000 0.291 379 G HA3 0.591 4.551 3.960 0.000 0.000 0.291 379 G C -1.648 173.337 174.900 0.140 0.000 1.424 379 G CA -0.601 44.597 45.100 0.164 0.000 0.786 379 G HN 0.765 nan 8.290 nan 0.000 0.485 380 E N -0.206 120.032 120.200 0.063 0.000 2.410 380 E HA 0.373 4.723 4.350 0.000 0.000 0.269 380 E C -0.671 175.916 176.600 -0.022 0.000 0.937 380 E CA -1.194 55.237 56.400 0.051 0.000 0.793 380 E CB 1.808 31.518 29.700 0.018 0.000 1.314 380 E HN 0.604 nan 8.360 nan 0.000 0.447 381 N N 0.217 118.887 118.700 -0.050 0.000 2.530 381 N HA 0.154 4.894 4.740 0.000 0.000 0.277 381 N C 0.079 175.491 175.510 -0.164 0.000 1.168 381 N CA -0.044 52.931 53.050 -0.124 0.000 0.979 381 N CB 1.542 39.915 38.487 -0.189 0.000 1.141 381 N HN 0.550 nan 8.380 nan 0.000 0.459 382 A N 1.809 124.529 122.820 -0.167 0.000 1.935 382 A HA 0.195 4.515 4.320 0.000 0.000 0.214 382 A C 0.889 178.384 177.584 -0.149 0.000 1.178 382 A CA 0.576 52.528 52.037 -0.142 0.000 0.640 382 A CB -0.083 18.847 19.000 -0.116 0.000 0.825 382 A HN 0.655 nan 8.150 nan 0.000 0.447 383 L N -0.421 120.687 121.223 -0.193 0.000 2.371 383 L HA 0.399 4.739 4.340 0.000 0.000 0.262 383 L C -2.653 174.044 176.870 -0.287 0.000 1.006 383 L CA -2.558 52.159 54.840 -0.204 0.000 0.818 383 L CB 2.180 44.130 42.059 -0.183 0.000 1.354 383 L HN -0.081 nan 8.230 nan 0.000 0.415 384 P HA 0.131 nan 4.420 nan 0.000 0.266 384 P C -1.155 175.824 177.300 -0.535 0.000 1.215 384 P CA -0.049 62.791 63.100 -0.434 0.000 0.763 384 P CB 0.620 32.159 31.700 -0.269 0.000 0.806 385 R N 3.021 123.091 120.500 -0.716 0.000 2.725 385 R HA 0.329 4.669 4.340 0.000 0.000 0.277 385 R C -0.329 175.492 176.300 -0.798 0.000 0.987 385 R CA -0.593 55.130 56.100 -0.629 0.000 0.901 385 R CB 1.428 31.459 30.300 -0.449 0.000 1.207 385 R HN 0.448 nan 8.270 nan 0.000 0.463 386 Y N -0.829 119.390 120.300 -0.136 0.000 2.610 386 Y HA 0.092 4.642 4.550 0.000 0.000 0.254 386 Y C 0.505 176.362 175.900 -0.072 0.000 1.110 386 Y CA -0.698 57.376 58.100 -0.043 0.000 1.238 386 Y CB 0.766 39.267 38.460 0.068 0.000 1.322 386 Y HN 0.474 nan 8.280 nan 0.000 0.547 387 D N 0.209 120.549 120.400 -0.101 0.000 2.312 387 D HA 0.285 4.925 4.640 0.000 0.000 0.248 387 D C 1.178 177.426 176.300 -0.086 0.000 1.086 387 D CA 0.266 54.242 54.000 -0.040 0.000 0.948 387 D CB 2.264 43.037 40.800 -0.045 0.000 1.162 387 D HN 0.087 nan 8.370 nan 0.000 0.446 388 A N 1.891 124.760 122.820 0.081 0.000 1.972 388 A HA -0.158 4.162 4.320 0.000 0.000 0.219 388 A C 2.128 179.745 177.584 0.056 0.000 1.169 388 A CA 1.752 53.878 52.037 0.148 0.000 0.635 388 A CB -0.888 18.179 19.000 0.112 0.000 0.810 388 A HN 0.712 nan 8.150 nan 0.000 0.446 389 T N 0.215 114.761 114.554 -0.012 0.000 2.746 389 T HA -0.025 4.325 4.350 0.000 0.000 0.267 389 T C 2.245 176.902 174.700 -0.071 0.000 1.039 389 T CA 1.578 63.662 62.100 -0.028 0.000 1.142 389 T CB -0.425 68.420 68.868 -0.037 0.000 0.866 389 T HN 0.610 nan 8.240 nan 0.000 0.444 390 A N 0.601 123.314 122.820 -0.179 0.000 1.877 390 A HA -0.079 4.241 4.320 0.000 0.000 0.216 390 A C 2.061 179.507 177.584 -0.230 0.000 1.186 390 A CA 1.412 53.295 52.037 -0.257 0.000 0.620 390 A CB -1.046 17.703 19.000 -0.419 0.000 0.822 390 A HN 0.510 nan 8.150 nan 0.000 0.443 391 Y N 0.853 121.055 120.300 -0.164 0.000 2.128 391 Y HA -0.194 4.356 4.550 0.000 0.000 0.284 391 Y C 2.458 178.349 175.900 -0.015 0.000 1.154 391 Y CA 1.370 59.323 58.100 -0.244 0.000 1.149 391 Y CB -0.708 37.601 38.460 -0.251 0.000 0.976 391 Y HN 0.314 nan 8.280 nan 0.000 0.505 392 N N -0.015 118.781 118.700 0.161 0.000 2.223 392 N HA -0.186 4.554 4.740 0.000 0.000 0.185 392 N C 1.866 177.441 175.510 0.108 0.000 1.016 392 N CA 1.335 54.460 53.050 0.125 0.000 0.863 392 N CB -0.408 38.128 38.487 0.083 0.000 0.983 392 N HN 0.391 nan 8.380 nan 0.000 0.429 393 Q N 0.988 120.833 119.800 0.076 0.000 2.079 393 Q HA 0.096 4.436 4.340 0.000 0.000 0.200 393 Q C 1.954 178.028 176.000 0.125 0.000 0.974 393 Q CA 1.005 56.857 55.803 0.082 0.000 0.840 393 Q CB -0.245 28.510 28.738 0.028 0.000 0.898 393 Q HN 0.385 nan 8.270 nan 0.000 0.430 394 I N -0.152 120.495 120.570 0.129 0.000 2.179 394 I HA -0.264 3.907 4.170 0.000 0.000 0.242 394 I C 2.049 178.310 176.117 0.241 0.000 1.088 394 I CA 1.125 62.544 61.300 0.199 0.000 1.357 394 I CB -0.311 37.840 38.000 0.252 0.000 1.051 394 I HN 0.224 nan 8.210 nan 0.000 0.409 395 I N 0.196 120.915 120.570 0.249 0.000 2.286 395 I HA -0.287 3.883 4.170 0.000 0.000 0.248 395 I C 2.490 178.665 176.117 0.098 0.000 1.115 395 I CA 0.955 62.351 61.300 0.161 0.000 1.392 395 I CB -0.299 37.779 38.000 0.130 0.000 1.065 395 I HN 0.265 nan 8.210 nan 0.000 0.418 396 L N 1.253 122.545 121.223 0.114 0.000 1.994 396 L HA -0.200 4.140 4.340 0.000 0.000 0.208 396 L C 2.130 179.058 176.870 0.096 0.000 1.071 396 L CA 1.973 56.867 54.840 0.090 0.000 0.745 396 L CB -1.080 41.066 42.059 0.145 0.000 0.892 396 L HN 0.208 nan 8.230 nan 0.000 0.431 397 N N 0.137 118.975 118.700 0.230 0.000 2.289 397 N HA -0.127 4.613 4.740 0.000 0.000 0.184 397 N C 1.765 177.420 175.510 0.242 0.000 1.016 397 N CA 1.343 54.596 53.050 0.340 0.000 0.872 397 N CB -0.290 38.418 38.487 0.369 0.000 0.973 397 N HN 0.570 nan 8.380 nan 0.000 0.433 398 A N 0.787 123.708 122.820 0.169 0.000 1.930 398 A HA -0.006 4.314 4.320 0.000 0.000 0.217 398 A C 1.184 178.805 177.584 0.062 0.000 1.175 398 A CA 1.082 53.203 52.037 0.140 0.000 0.627 398 A CB 0.085 19.137 19.000 0.085 0.000 0.815 398 A HN 0.182 nan 8.150 nan 0.000 0.443 399 R N -0.807 119.675 120.500 -0.030 0.000 2.687 399 R HA 0.177 4.517 4.340 0.000 0.000 0.264 399 R C -2.286 173.882 176.300 -0.221 0.000 1.715 399 R CA -1.347 54.674 56.100 -0.132 0.000 1.633 399 R CB 1.097 31.327 30.300 -0.116 0.000 1.353 399 R HN 0.276 nan 8.270 nan 0.000 0.653 400 P HA -0.227 nan 4.420 nan 0.000 0.219 400 P C 0.300 177.310 177.300 -0.483 0.000 1.144 400 P CA 1.443 64.096 63.100 -0.744 0.000 0.806 400 P CB 0.434 31.110 31.700 -1.707 0.000 0.771 401 Q N -0.759 118.841 119.800 -0.334 0.000 2.172 401 Q HA 0.393 4.733 4.340 0.000 0.000 0.217 401 Q C 0.798 176.714 176.000 -0.140 0.000 0.832 401 Q CA 0.077 55.761 55.803 -0.198 0.000 1.010 401 Q CB 0.825 29.457 28.738 -0.176 0.000 1.133 401 Q HN 0.208 nan 8.270 nan 0.000 0.489 402 G N 0.955 109.672 108.800 -0.139 0.000 2.760 402 G HA2 -0.233 3.728 3.960 0.000 0.000 0.246 402 G HA3 -0.233 3.728 3.960 0.000 0.000 0.246 402 G C -0.236 174.602 174.900 -0.102 0.000 1.359 402 G CA -0.442 44.599 45.100 -0.099 0.000 0.861 402 G HN 0.424 nan 8.290 nan 0.000 0.541 403 V N -1.935 117.930 119.914 -0.081 0.000 2.716 403 V HA 0.757 4.877 4.120 0.000 0.000 0.304 403 V C 0.612 176.666 176.094 -0.067 0.000 1.053 403 V CA -0.286 61.967 62.300 -0.078 0.000 0.984 403 V CB 1.806 33.587 31.823 -0.069 0.000 1.021 403 V HN 1.119 nan 8.190 nan 0.000 0.467 404 N N 2.935 121.596 118.700 -0.065 0.000 2.457 404 N HA 0.242 4.982 4.740 0.000 0.000 0.250 404 N C 0.641 176.125 175.510 -0.044 0.000 0.982 404 N CA -0.691 52.326 53.050 -0.054 0.000 0.941 404 N CB 0.703 39.156 38.487 -0.058 0.000 1.120 404 N HN 0.791 nan 8.380 nan 0.000 0.505 405 N N 2.875 121.553 118.700 -0.038 0.000 2.037 405 N HA -0.231 4.510 4.740 0.000 0.000 0.196 405 N C 0.525 176.018 175.510 -0.029 0.000 1.034 405 N CA 1.588 54.618 53.050 -0.032 0.000 0.861 405 N CB -0.195 38.275 38.487 -0.028 0.000 1.039 405 N HN 0.645 nan 8.380 nan 0.000 0.427 406 N N -0.138 118.546 118.700 -0.027 0.000 2.282 406 N HA 0.243 4.983 4.740 0.000 0.000 0.240 406 N C -0.510 174.985 175.510 -0.024 0.000 1.182 406 N CA -0.243 52.792 53.050 -0.024 0.000 0.874 406 N CB 0.619 39.093 38.487 -0.021 0.000 1.126 406 N HN 0.193 nan 8.380 nan 0.000 0.516 407 G N -0.356 108.428 108.800 -0.028 0.000 2.645 407 G HA2 0.408 4.368 3.960 0.000 0.000 0.292 407 G HA3 0.408 4.368 3.960 0.000 0.000 0.292 407 G C -3.190 171.691 174.900 -0.032 0.000 1.415 407 G CA -1.024 44.059 45.100 -0.028 0.000 0.785 407 G HN -0.081 nan 8.290 nan 0.000 0.483 408 P HA 0.275 nan 4.420 nan 0.000 0.274 408 P C -2.614 174.647 177.300 -0.066 0.000 1.231 408 P CA -1.112 61.967 63.100 -0.035 0.000 0.790 408 P CB 0.976 32.663 31.700 -0.022 0.000 0.951 409 P HA 0.085 nan 4.420 nan 0.000 0.272 409 P C 0.408 177.600 177.300 -0.179 0.000 1.223 409 P CA -0.081 62.941 63.100 -0.129 0.000 0.784 409 P CB 0.715 32.330 31.700 -0.142 0.000 0.923 410 K N 1.491 121.774 120.400 -0.195 0.000 2.152 410 K HA 0.017 4.337 4.320 0.000 0.000 0.206 410 K C 0.731 177.093 176.600 -0.398 0.000 1.048 410 K CA 1.395 57.541 56.287 -0.233 0.000 0.933 410 K CB -0.363 32.025 32.500 -0.187 0.000 0.721 410 K HN 0.408 nan 8.250 nan 0.000 0.447 411 L N -0.155 120.775 121.223 -0.489 0.000 2.472 411 L HA 0.441 4.781 4.340 0.000 0.000 0.260 411 L C -1.197 175.274 176.870 -0.665 0.000 0.963 411 L CA -0.786 53.541 54.840 -0.855 0.000 0.829 411 L CB 2.587 44.008 42.059 -1.063 0.000 1.348 411 L HN 0.122 nan 8.230 nan 0.000 0.408 412 S N 1.572 116.840 115.700 -0.719 0.000 2.578 412 S HA 0.565 5.035 4.470 0.000 0.000 0.285 412 S C -1.035 173.640 174.600 0.126 0.000 1.126 412 S CA -1.035 57.043 58.200 -0.204 0.000 0.878 412 S CB 1.290 64.426 63.200 -0.106 0.000 1.091 412 S HN 0.532 nan 8.310 nan 0.000 0.450 413 M N 2.184 121.996 119.600 0.353 0.000 2.226 413 M HA 0.345 4.826 4.480 0.000 0.000 0.324 413 M C 0.600 177.157 176.300 0.429 0.000 1.112 413 M CA -0.379 55.212 55.300 0.486 0.000 1.176 413 M CB 0.140 32.976 32.600 0.393 0.000 1.430 413 M HN 0.826 nan 8.290 nan 0.000 0.462 414 F N 0.694 120.826 119.950 0.304 0.000 2.407 414 F HA 0.224 4.751 4.527 0.000 0.000 0.299 414 F C 0.943 176.998 175.800 0.426 0.000 1.097 414 F CA 0.927 59.123 58.000 0.327 0.000 1.422 414 F CB 0.202 39.326 39.000 0.206 0.000 1.067 414 F HN 0.573 nan 8.300 nan 0.000 0.539 415 G N -0.815 108.187 108.800 0.336 0.000 2.325 415 G HA2 0.440 4.400 3.960 0.000 0.000 0.297 415 G HA3 0.440 4.400 3.960 0.000 0.000 0.297 415 G C -2.111 172.966 174.900 0.296 0.000 1.448 415 G CA -0.291 44.977 45.100 0.278 0.000 0.838 415 G HN 0.578 nan 8.290 nan 0.000 0.579 416 V N -2.304 117.792 119.914 0.304 0.000 2.841 416 V HA 0.949 5.070 4.120 0.000 0.000 0.310 416 V C -0.441 175.884 176.094 0.386 0.000 1.090 416 V CA -0.675 61.809 62.300 0.307 0.000 0.930 416 V CB 1.785 33.785 31.823 0.295 0.000 1.014 416 V HN 1.038 nan 8.190 nan 0.000 0.425 417 T N 4.585 119.341 114.554 0.336 0.000 2.770 417 T HA 0.461 4.812 4.350 0.000 0.000 0.283 417 T C -0.933 173.968 174.700 0.335 0.000 0.988 417 T CA -0.027 62.287 62.100 0.357 0.000 0.957 417 T CB 0.824 69.837 68.868 0.241 0.000 0.930 417 T HN 0.802 nan 8.240 nan 0.000 0.443 418 Y N 3.734 124.212 120.300 0.297 0.000 2.335 418 Y HA 0.435 4.985 4.550 0.000 0.000 0.331 418 Y C -0.025 175.971 175.900 0.160 0.000 1.094 418 Y CA -1.316 56.946 58.100 0.270 0.000 1.253 418 Y CB 0.488 39.216 38.460 0.446 0.000 1.203 418 Y HN 0.523 nan 8.280 nan 0.000 0.508 419 L N 7.842 128.725 121.223 -0.567 0.000 2.597 419 L HA 0.184 4.524 4.340 0.000 0.000 0.271 419 L C 0.036 176.688 176.870 -0.363 0.000 1.157 419 L CA 0.490 55.081 54.840 -0.416 0.000 0.928 419 L CB -0.507 41.307 42.059 -0.408 0.000 1.216 419 L HN 0.845 nan 8.230 nan 0.000 0.481 420 R N 2.493 122.947 120.500 -0.078 0.000 1.299 420 R HA -0.214 4.126 4.340 0.000 0.000 0.403 420 R C -1.040 175.335 176.300 0.125 0.000 1.341 420 R CA 0.524 56.640 56.100 0.026 0.000 1.321 420 R CB -0.318 29.982 30.300 -0.001 0.000 3.692 420 R HN 0.629 nan 8.270 nan 0.000 0.479 421 L N 3.736 125.035 121.223 0.126 0.000 2.349 421 L HA 0.636 4.976 4.340 0.000 0.000 0.275 421 L C -0.255 176.667 176.870 0.087 0.000 1.115 421 L CA 1.105 56.014 54.840 0.114 0.000 0.820 421 L CB 1.527 43.639 42.059 0.088 0.000 1.135 421 L HN 0.692 nan 8.230 nan 0.000 0.445 422 S N 1.607 117.354 115.700 0.077 0.000 2.625 422 S HA 0.457 4.927 4.470 0.000 0.000 0.271 422 S C 0.124 174.723 174.600 -0.002 0.000 1.161 422 S CA -0.668 57.565 58.200 0.054 0.000 0.820 422 S CB 1.003 64.268 63.200 0.108 0.000 1.137 422 S HN 0.601 nan 8.310 nan 0.000 0.470 423 D N 1.050 121.436 120.400 -0.023 0.000 2.144 423 D HA -0.069 4.571 4.640 0.000 0.000 0.199 423 D C 1.071 177.312 176.300 -0.097 0.000 0.984 423 D CA 1.461 55.423 54.000 -0.062 0.000 0.834 423 D CB -0.290 40.480 40.800 -0.050 0.000 0.955 423 D HN 0.584 nan 8.370 nan 0.000 0.465 424 D N 0.278 120.613 120.400 -0.107 0.000 2.097 424 D HA -0.128 4.512 4.640 0.000 0.000 0.195 424 D C 2.214 178.309 176.300 -0.341 0.000 0.989 424 D CA 0.360 54.200 54.000 -0.266 0.000 0.827 424 D CB -0.397 40.186 40.800 -0.363 0.000 0.966 424 D HN 0.152 nan 8.370 nan 0.000 0.456 425 L N 0.488 121.635 121.223 -0.127 0.000 2.012 425 L HA -0.155 4.185 4.340 0.000 0.000 0.210 425 L C 1.902 178.787 176.870 0.025 0.000 1.073 425 L CA 1.460 56.337 54.840 0.061 0.000 0.748 425 L CB -0.567 41.621 42.059 0.214 0.000 0.891 425 L HN -0.044 nan 8.230 nan 0.000 0.431 426 L N -0.121 121.025 121.223 -0.129 0.000 2.362 426 L HA -0.018 4.323 4.340 0.000 0.000 0.219 426 L C 1.349 178.101 176.870 -0.198 0.000 1.134 426 L CA 0.853 55.485 54.840 -0.346 0.000 0.807 426 L CB -1.299 40.537 42.059 -0.370 0.000 0.927 426 L HN 0.508 nan 8.230 nan 0.000 0.447 427 Q N 0.791 120.524 119.800 -0.111 0.000 2.283 427 Q HA -0.162 4.178 4.340 0.000 0.000 0.301 427 Q C 1.392 177.399 176.000 0.011 0.000 1.063 427 Q CA 0.345 56.104 55.803 -0.073 0.000 0.952 427 Q CB 0.650 29.325 28.738 -0.105 0.000 1.166 427 Q HN 0.227 nan 8.270 nan 0.000 0.381 428 K N 2.454 122.865 120.400 0.018 0.000 2.032 428 K HA -0.288 4.033 4.320 0.000 0.000 0.218 428 K C 1.919 178.581 176.600 0.103 0.000 1.054 428 K CA 2.184 58.517 56.287 0.076 0.000 0.941 428 K CB -0.273 32.252 32.500 0.041 0.000 0.720 428 K HN 0.653 nan 8.250 nan 0.000 0.449 429 S N 0.239 115.975 115.700 0.059 0.000 2.368 429 S HA -0.107 4.363 4.470 0.000 0.000 0.225 429 S C 1.654 176.311 174.600 0.095 0.000 1.030 429 S CA 1.398 59.635 58.200 0.062 0.000 0.999 429 S CB -0.297 62.923 63.200 0.033 0.000 0.844 429 S HN 0.371 nan 8.310 nan 0.000 0.459 430 N N 0.453 119.206 118.700 0.087 0.000 2.142 430 N HA -0.030 4.711 4.740 0.000 0.000 0.186 430 N C 1.368 177.033 175.510 0.258 0.000 1.023 430 N CA 0.934 54.069 53.050 0.142 0.000 0.852 430 N CB -0.681 37.794 38.487 -0.020 0.000 0.998 430 N HN 0.408 nan 8.380 nan 0.000 0.424 431 F N 2.613 122.600 119.950 0.061 0.000 2.216 431 F HA -0.041 4.487 4.527 0.001 0.000 0.300 431 F C 2.163 178.039 175.800 0.126 0.000 1.085 431 F CA 0.804 58.865 58.000 0.101 0.000 1.326 431 F CB -0.444 38.581 39.000 0.042 0.000 1.027 431 F HN 0.102 nan 8.300 nan 0.000 0.497 432 N N 1.037 119.813 118.700 0.127 0.000 2.120 432 N HA -0.210 4.530 4.740 0.000 0.000 0.188 432 N C 1.942 177.424 175.510 -0.046 0.000 1.024 432 N CA 1.977 55.037 53.050 0.016 0.000 0.852 432 N CB -0.238 38.278 38.487 0.048 0.000 1.003 432 N HN 0.390 nan 8.380 nan 0.000 0.424 433 I N -0.141 120.444 120.570 0.026 0.000 2.406 433 I HA -0.174 3.996 4.170 0.000 0.000 0.249 433 I C 2.173 178.168 176.117 -0.203 0.000 1.122 433 I CA 0.473 61.775 61.300 0.004 0.000 1.431 433 I CB -0.433 37.677 38.000 0.185 0.000 1.087 433 I HN 0.023 nan 8.210 nan 0.000 0.424 434 F N 2.477 122.231 119.950 -0.326 0.000 2.161 434 F HA -0.227 4.301 4.527 0.001 0.000 0.300 434 F C 2.349 177.820 175.800 -0.550 0.000 1.089 434 F CA 1.728 59.375 58.000 -0.588 0.000 1.282 434 F CB -0.252 38.517 39.000 -0.384 0.000 1.010 434 F HN -0.140 nan 8.300 nan 0.000 0.485 435 K N 0.203 120.262 120.400 -0.568 0.000 2.148 435 K HA -0.149 4.171 4.320 0.000 0.000 0.204 435 K C 1.981 178.282 176.600 -0.498 0.000 1.050 435 K CA 1.503 57.429 56.287 -0.601 0.000 0.942 435 K CB -0.156 32.082 32.500 -0.437 0.000 0.724 435 K HN 0.312 nan 8.250 nan 0.000 0.446 436 K N 0.132 120.306 120.400 -0.377 0.000 2.148 436 K HA -0.126 4.194 4.320 0.000 0.000 0.204 436 K C 1.927 178.312 176.600 -0.359 0.000 1.050 436 K CA 1.024 57.137 56.287 -0.290 0.000 0.942 436 K CB -0.186 32.208 32.500 -0.176 0.000 0.724 436 K HN 0.063 nan 8.250 nan 0.000 0.446 437 F N 1.858 121.387 119.950 -0.701 0.000 2.075 437 F HA -0.212 4.315 4.527 0.000 0.000 0.297 437 F C 1.831 177.190 175.800 -0.735 0.000 1.113 437 F CA 1.194 58.727 58.000 -0.778 0.000 1.218 437 F CB -0.540 37.662 39.000 -1.330 0.000 0.984 437 F HN -0.296 nan 8.300 nan 0.000 0.472 438 V N 0.770 119.966 119.914 -1.197 0.000 2.343 438 V HA -0.272 3.849 4.120 0.000 0.000 0.247 438 V C 2.440 177.899 176.094 -1.058 0.000 1.051 438 V CA 1.695 63.205 62.300 -1.318 0.000 1.036 438 V CB -1.030 30.125 31.823 -1.113 0.000 0.654 438 V HN 0.478 nan 8.190 nan 0.000 0.451 439 L N 0.316 121.141 121.223 -0.662 0.000 1.989 439 L HA -0.151 4.190 4.340 0.000 0.000 0.211 439 L C 2.443 179.090 176.870 -0.371 0.000 1.071 439 L CA 2.022 56.619 54.840 -0.405 0.000 0.749 439 L CB -0.801 41.093 42.059 -0.275 0.000 0.890 439 L HN 0.147 nan 8.230 nan 0.000 0.431 440 K N -0.944 119.230 120.400 -0.377 0.000 2.057 440 K HA -0.074 4.246 4.320 0.000 0.000 0.206 440 K C 2.079 178.466 176.600 -0.354 0.000 1.050 440 K CA 1.266 57.382 56.287 -0.284 0.000 0.935 440 K CB -0.583 31.802 32.500 -0.192 0.000 0.715 440 K HN 0.327 nan 8.250 nan 0.000 0.439 441 M N 0.310 119.567 119.600 -0.571 0.000 2.149 441 M HA -0.139 4.341 4.480 0.000 0.000 0.261 441 M C 1.580 177.560 176.300 -0.533 0.000 1.064 441 M CA 1.617 56.560 55.300 -0.595 0.000 1.102 441 M CB -1.069 30.973 32.600 -0.931 0.000 1.369 441 M HN 0.303 nan 8.290 nan 0.000 0.408 442 H N -0.356 118.278 119.070 -0.727 0.000 2.543 442 H HA 0.282 4.838 4.556 0.000 0.000 0.269 442 H C 0.792 175.831 175.328 -0.481 0.000 1.005 442 H CA 0.044 55.528 56.048 -0.941 0.000 1.146 442 H CB 0.110 29.340 29.762 -0.886 0.000 1.353 442 H HN 0.487 nan 8.280 nan 0.000 0.595 443 A N 1.611 124.289 122.820 -0.236 0.000 2.791 443 A HA -0.275 4.045 4.320 0.000 0.000 0.292 443 A C 0.456 177.979 177.584 -0.101 0.000 1.487 443 A CA 0.794 52.744 52.037 -0.146 0.000 0.760 443 A CB -1.984 16.950 19.000 -0.109 0.000 1.031 443 A HN 0.730 nan 8.150 nan 0.000 0.503 444 D N -2.495 117.837 120.400 -0.113 0.000 3.046 444 D HA -0.166 4.474 4.640 0.000 0.000 0.210 444 D C 0.271 176.542 176.300 -0.047 0.000 1.124 444 D CA 2.049 56.001 54.000 -0.081 0.000 0.986 444 D CB -0.665 40.095 40.800 -0.067 0.000 1.118 444 D HN 0.906 nan 8.370 nan 0.000 0.416 445 Q N 0.723 120.508 119.800 -0.026 0.000 2.221 445 Q HA 0.338 4.679 4.340 0.000 0.000 0.242 445 Q C 0.402 176.425 176.000 0.039 0.000 0.940 445 Q CA -0.338 55.473 55.803 0.013 0.000 0.896 445 Q CB 1.031 29.807 28.738 0.063 0.000 1.226 445 Q HN 0.132 nan 8.270 nan 0.000 0.463 446 D N 0.528 120.949 120.400 0.035 0.000 2.360 446 D HA -0.002 4.638 4.640 0.000 0.000 0.242 446 D C -0.019 176.345 176.300 0.106 0.000 1.184 446 D CA -0.134 53.908 54.000 0.069 0.000 0.930 446 D CB 0.296 41.124 40.800 0.047 0.000 1.161 446 D HN 0.377 nan 8.370 nan 0.000 0.447 447 Y N 0.359 120.687 120.300 0.048 0.000 2.903 447 Y HA -0.040 4.510 4.550 0.001 0.000 0.338 447 Y C -0.271 175.613 175.900 -0.026 0.000 1.265 447 Y CA -0.396 57.718 58.100 0.024 0.000 1.532 447 Y CB 0.370 38.862 38.460 0.053 0.000 1.293 447 Y HN 0.245 nan 8.280 nan 0.000 0.609 448 C N 7.864 126.607 119.300 -0.928 0.000 2.321 448 C HA 0.697 5.157 4.460 0.000 0.000 0.323 448 C C 1.220 175.585 174.990 -1.043 0.000 1.191 448 C CA -0.160 58.350 59.018 -0.848 0.000 1.455 448 C CB -0.921 26.378 27.740 -0.736 0.000 2.083 448 C HN 1.088 nan 8.230 nan 0.000 0.442 449 A N 4.508 126.816 122.820 -0.854 0.000 1.969 449 A HA -0.015 4.305 4.320 0.000 0.000 0.218 449 A C 1.110 178.549 177.584 -0.240 0.000 1.169 449 A CA 1.282 53.063 52.037 -0.426 0.000 0.635 449 A CB -0.282 18.659 19.000 -0.099 0.000 0.810 449 A HN 0.817 nan 8.150 nan 0.000 0.445 450 N N -0.308 118.223 118.700 -0.281 0.000 2.527 450 N HA 0.325 5.066 4.740 0.000 0.000 0.236 450 N C -2.341 172.907 175.510 -0.436 0.000 0.999 450 N CA -2.413 50.482 53.050 -0.259 0.000 0.935 450 N CB 1.274 39.641 38.487 -0.201 0.000 1.132 450 N HN -0.117 nan 8.380 nan 0.000 0.511 451 P HA -0.189 nan 4.420 nan 0.000 0.218 451 P C 1.146 177.920 177.300 -0.877 0.000 1.146 451 P CA 1.086 63.602 63.100 -0.973 0.000 0.813 451 P CB 0.337 31.789 31.700 -0.413 0.000 0.778 452 Q N 0.302 119.837 119.800 -0.441 0.000 2.135 452 Q HA -0.233 4.108 4.340 0.000 0.000 0.204 452 Q C 1.834 177.656 176.000 -0.296 0.000 0.981 452 Q CA 1.672 57.304 55.803 -0.285 0.000 0.856 452 Q CB -0.249 28.384 28.738 -0.175 0.000 0.902 452 Q HN 0.209 nan 8.270 nan 0.000 0.425 453 K N -0.119 120.070 120.400 -0.352 0.000 2.103 453 K HA -0.182 4.138 4.320 0.000 0.000 0.207 453 K C 1.011 177.505 176.600 -0.177 0.000 1.048 453 K CA 1.563 57.705 56.287 -0.242 0.000 0.930 453 K CB -0.124 32.239 32.500 -0.228 0.000 0.716 453 K HN 0.484 nan 8.250 nan 0.000 0.444 454 Y N -0.886 119.277 120.300 -0.229 0.000 2.756 454 Y HA 0.385 4.935 4.550 0.000 0.000 0.300 454 Y C -0.240 175.644 175.900 -0.028 0.000 1.113 454 Y CA -1.192 56.795 58.100 -0.188 0.000 1.291 454 Y CB -0.564 37.680 38.460 -0.360 0.000 1.175 454 Y HN -0.007 nan 8.280 nan 0.000 0.534 455 N N 1.037 119.724 118.700 -0.022 0.000 2.754 455 N HA -0.286 4.454 4.740 0.000 0.000 0.248 455 N C -0.826 174.809 175.510 0.208 0.000 1.093 455 N CA 0.995 54.092 53.050 0.078 0.000 0.699 455 N CB -1.863 36.702 38.487 0.130 0.000 1.016 455 N HN 0.718 nan 8.380 nan 0.000 0.552 456 H N -1.157 117.801 119.070 -0.186 0.000 2.467 456 H HA 0.592 5.148 4.556 0.000 0.000 0.275 456 H C 0.348 175.630 175.328 -0.077 0.000 1.131 456 H CA 0.264 56.272 56.048 -0.067 0.000 0.989 456 H CB 0.156 29.818 29.762 -0.166 0.000 1.696 456 H HN 0.455 nan 8.280 nan 0.000 0.574 457 A N 1.129 123.943 122.820 -0.010 0.000 2.511 457 A HA 0.260 4.580 4.320 0.000 0.000 0.242 457 A C -0.084 177.510 177.584 0.017 0.000 1.069 457 A CA -0.086 51.933 52.037 -0.030 0.000 0.763 457 A CB -0.082 18.890 19.000 -0.047 0.000 1.001 457 A HN 0.278 nan 8.150 nan 0.000 0.498 458 I N 3.371 123.952 120.570 0.018 0.000 2.321 458 I HA 0.300 4.471 4.170 0.000 0.000 0.291 458 I C 0.998 177.118 176.117 0.004 0.000 0.998 458 I CA 0.092 61.409 61.300 0.028 0.000 1.227 458 I CB 0.543 38.570 38.000 0.046 0.000 1.368 458 I HN 0.789 nan 8.210 nan 0.000 0.466 459 T N 4.192 118.741 114.554 -0.008 0.000 2.936 459 T HA 0.614 4.964 4.350 0.000 0.000 0.282 459 T C -2.697 171.993 174.700 -0.016 0.000 1.003 459 T CA -2.197 59.892 62.100 -0.018 0.000 1.005 459 T CB 1.370 70.218 68.868 -0.033 0.000 1.097 459 T HN 0.208 nan 8.240 nan 0.000 0.532 460 P HA 0.177 nan 4.420 nan 0.000 0.264 460 P C -0.461 176.830 177.300 -0.015 0.000 1.193 460 P CA -0.523 62.575 63.100 -0.004 0.000 0.763 460 P CB 0.131 31.829 31.700 -0.004 0.000 0.810 461 L N 4.561 125.790 121.223 0.010 0.000 2.534 461 L HA 0.035 4.375 4.340 0.000 0.000 0.271 461 L C 0.266 177.137 176.870 0.001 0.000 1.178 461 L CA 0.730 55.576 54.840 0.010 0.000 0.907 461 L CB -0.393 41.708 42.059 0.071 0.000 1.164 461 L HN 0.231 nan 8.230 nan 0.000 0.482 462 K N 5.869 126.236 120.400 -0.055 0.000 2.090 462 K HA 0.511 4.832 4.320 0.000 0.000 0.250 462 K C -2.269 174.358 176.600 0.044 0.000 1.004 462 K CA -1.403 54.859 56.287 -0.041 0.000 0.919 462 K CB 0.018 32.437 32.500 -0.135 0.000 1.045 462 K HN 0.421 nan 8.250 nan 0.000 0.471 463 P HA -0.009 nan 4.420 nan 0.000 0.269 463 P C -0.801 176.591 177.300 0.153 0.000 1.215 463 P CA -0.303 62.854 63.100 0.095 0.000 0.780 463 P CB 0.575 32.314 31.700 0.064 0.000 0.898 464 S N 1.223 117.013 115.700 0.151 0.000 2.572 464 S HA 0.456 4.926 4.470 0.000 0.000 0.279 464 S C 0.348 174.959 174.600 0.018 0.000 1.341 464 S CA -0.707 57.554 58.200 0.101 0.000 1.043 464 S CB 0.245 63.484 63.200 0.065 0.000 0.887 464 S HN 0.581 nan 8.310 nan 0.000 0.516 465 A N 3.272 126.056 122.820 -0.061 0.000 2.386 465 A HA 0.537 4.857 4.320 0.000 0.000 0.246 465 A C -2.193 175.335 177.584 -0.093 0.000 1.089 465 A CA -1.507 50.496 52.037 -0.058 0.000 0.790 465 A CB -1.174 17.767 19.000 -0.099 0.000 1.042 465 A HN 0.728 nan 8.150 nan 0.000 0.497 466 P HA -0.030 nan 4.420 nan 0.000 0.264 466 P C -0.276 176.981 177.300 -0.072 0.000 1.173 466 P CA 0.366 63.438 63.100 -0.046 0.000 0.761 466 P CB 0.298 31.981 31.700 -0.027 0.000 0.794 467 K N 2.901 123.270 120.400 -0.053 0.000 2.489 467 K HA 0.107 4.427 4.320 0.000 0.000 0.278 467 K C -0.141 176.433 176.600 -0.042 0.000 1.000 467 K CA 0.166 56.423 56.287 -0.051 0.000 1.012 467 K CB -0.024 32.465 32.500 -0.017 0.000 0.903 467 K HN 0.391 nan 8.250 nan 0.000 0.485 468 I N 7.256 127.798 120.570 -0.046 0.000 2.321 468 I HA 0.225 4.396 4.170 0.000 0.000 0.291 468 I C -1.672 174.438 176.117 -0.012 0.000 0.998 468 I CA -2.356 58.925 61.300 -0.031 0.000 1.227 468 I CB 1.389 39.364 38.000 -0.042 0.000 1.368 468 I HN 0.594 nan 8.210 nan 0.000 0.466 469 P HA 0.003 nan 4.420 nan 0.000 0.268 469 P C 0.828 178.134 177.300 0.010 0.000 1.208 469 P CA -0.237 62.867 63.100 0.008 0.000 0.777 469 P CB 1.344 33.051 31.700 0.011 0.000 0.875 470 I N 1.885 122.465 120.570 0.017 0.000 2.335 470 I HA -0.286 3.884 4.170 0.000 0.000 0.251 470 I C 1.761 177.889 176.117 0.017 0.000 1.129 470 I CA 1.835 63.145 61.300 0.018 0.000 1.402 470 I CB -0.591 37.424 38.000 0.025 0.000 1.069 470 I HN 0.317 nan 8.210 nan 0.000 0.424 471 E N -0.324 119.888 120.200 0.020 0.000 2.106 471 E HA -0.146 4.205 4.350 0.000 0.000 0.192 471 E C 2.228 178.835 176.600 0.011 0.000 0.984 471 E CA 1.527 57.939 56.400 0.020 0.000 0.806 471 E CB -0.552 29.163 29.700 0.024 0.000 0.750 471 E HN 0.382 nan 8.360 nan 0.000 0.458 472 V N 0.636 120.554 119.914 0.007 0.000 2.548 472 V HA -0.160 3.960 4.120 0.000 0.000 0.249 472 V C 2.045 178.138 176.094 -0.002 0.000 1.055 472 V CA 0.965 63.267 62.300 0.002 0.000 1.065 472 V CB -0.305 31.517 31.823 -0.001 0.000 0.681 472 V HN 0.182 nan 8.190 nan 0.000 0.462 473 L N -0.643 120.579 121.223 -0.001 0.000 2.056 473 L HA -0.073 4.267 4.340 0.000 0.000 0.207 473 L C 2.029 178.895 176.870 -0.006 0.000 1.078 473 L CA 1.780 56.617 54.840 -0.004 0.000 0.749 473 L CB -0.624 41.435 42.059 -0.000 0.000 0.901 473 L HN 0.203 nan 8.230 nan 0.000 0.433 474 L N -0.678 120.542 121.223 -0.004 0.000 2.551 474 L HA -0.086 4.254 4.340 0.000 0.000 0.228 474 L C 2.260 179.120 176.870 -0.017 0.000 1.153 474 L CA 1.052 55.886 54.840 -0.011 0.000 0.851 474 L CB -0.875 41.183 42.059 -0.001 0.000 0.959 474 L HN 0.367 nan 8.230 nan 0.000 0.451 475 E N -0.583 119.611 120.200 -0.010 0.000 2.204 475 E HA -0.135 4.215 4.350 0.000 0.000 0.194 475 E C 2.102 178.691 176.600 -0.018 0.000 0.989 475 E CA 0.883 57.276 56.400 -0.011 0.000 0.824 475 E CB -0.061 29.636 29.700 -0.004 0.000 0.756 475 E HN 0.499 nan 8.360 nan 0.000 0.477 476 A N 1.235 124.044 122.820 -0.019 0.000 2.216 476 A HA -0.109 4.211 4.320 0.000 0.000 0.214 476 A C 2.228 179.789 177.584 -0.039 0.000 1.160 476 A CA 1.419 53.444 52.037 -0.021 0.000 0.725 476 A CB -0.764 18.227 19.000 -0.015 0.000 0.784 476 A HN 0.341 nan 8.150 nan 0.000 0.472 477 T N -2.106 112.416 114.554 -0.054 0.000 3.072 477 T HA -0.009 4.341 4.350 0.000 0.000 0.266 477 T C 0.887 175.538 174.700 -0.080 0.000 1.127 477 T CA 0.588 62.635 62.100 -0.088 0.000 1.107 477 T CB -0.424 68.373 68.868 -0.118 0.000 0.910 477 T HN 0.437 nan 8.240 nan 0.000 0.513 478 K N 3.050 123.417 120.400 -0.054 0.000 2.436 478 K HA 0.138 4.458 4.320 0.000 0.000 0.282 478 K C -2.577 173.996 176.600 -0.045 0.000 1.044 478 K CA -1.631 54.629 56.287 -0.045 0.000 1.028 478 K CB 0.209 32.692 32.500 -0.029 0.000 0.919 478 K HN 0.127 nan 8.250 nan 0.000 0.474 479 P HA -0.011 nan 4.420 nan 0.000 0.267 479 P C -1.029 176.249 177.300 -0.036 0.000 1.200 479 P CA 0.053 63.127 63.100 -0.043 0.000 0.772 479 P CB 0.829 32.505 31.700 -0.040 0.000 0.855 480 T N -0.428 114.103 114.554 -0.039 0.000 2.883 480 T HA 0.583 4.933 4.350 0.000 0.000 0.301 480 T C -0.482 174.183 174.700 -0.058 0.000 1.158 480 T CA -1.020 61.049 62.100 -0.051 0.000 1.007 480 T CB 0.606 69.436 68.868 -0.063 0.000 1.186 480 T HN 0.062 nan 8.240 nan 0.000 0.499 481 L N 2.934 124.113 121.223 -0.074 0.000 2.331 481 L HA 0.442 4.783 4.340 0.000 0.000 0.278 481 L C -1.535 175.261 176.870 -0.123 0.000 1.106 481 L CA -1.808 52.991 54.840 -0.068 0.000 0.824 481 L CB 0.335 42.362 42.059 -0.053 0.000 1.142 481 L HN 0.573 nan 8.230 nan 0.000 0.443 482 P HA 0.148 nan 4.420 nan 0.000 0.274 482 P C -0.701 176.609 177.300 0.016 0.000 1.246 482 P CA -0.414 62.663 63.100 -0.038 0.000 0.795 482 P CB 0.545 32.249 31.700 0.006 0.000 1.006 483 F N 1.411 121.559 119.950 0.330 0.000 2.506 483 F HA 0.165 4.692 4.527 0.000 0.000 0.351 483 F C -1.169 174.902 175.800 0.452 0.000 1.136 483 F CA -1.465 56.757 58.000 0.368 0.000 1.298 483 F CB -0.620 38.648 39.000 0.446 0.000 1.145 483 F HN 0.208 nan 8.300 nan 0.000 0.593 484 P HA -0.076 nan 4.420 nan 0.000 0.271 484 P C -0.699 176.893 177.300 0.487 0.000 1.216 484 P CA -0.081 63.258 63.100 0.398 0.000 0.771 484 P CB 0.628 32.472 31.700 0.241 0.000 0.864 485 W N 3.187 124.570 121.300 0.138 0.000 2.512 485 W HA 0.258 4.919 4.660 0.000 0.000 0.335 485 W C -0.150 176.422 176.519 0.088 0.000 1.088 485 W CA -0.728 56.691 57.345 0.124 0.000 1.236 485 W CB 2.072 31.601 29.460 0.115 0.000 1.307 485 W HN 0.211 nan 8.180 nan 0.000 0.567 486 L N 5.152 126.465 121.223 0.150 0.000 2.436 486 L HA 0.167 4.507 4.340 0.000 0.000 0.265 486 L C -1.417 175.554 176.870 0.169 0.000 1.168 486 L CA -1.397 53.505 54.840 0.104 0.000 0.815 486 L CB 0.469 42.536 42.059 0.014 0.000 1.109 486 L HN 0.225 nan 8.230 nan 0.000 0.462 487 P HA -0.038 nan 4.420 nan 0.000 0.222 487 P C -1.087 176.277 177.300 0.106 0.000 1.153 487 P CA 0.682 63.853 63.100 0.119 0.000 0.798 487 P CB 0.252 32.001 31.700 0.083 0.000 0.796 488 E N -3.295 116.955 120.200 0.084 0.000 2.407 488 E HA 0.336 4.686 4.350 0.000 0.000 0.279 488 E C -1.038 175.590 176.600 0.047 0.000 1.012 488 E CA -0.868 55.573 56.400 0.069 0.000 0.800 488 E CB 0.883 30.613 29.700 0.050 0.000 1.276 488 E HN -0.348 nan 8.360 nan 0.000 0.452 489 T N 0.024 114.604 114.554 0.042 0.000 2.856 489 T HA 0.037 4.387 4.350 0.000 0.000 0.306 489 T C 0.602 175.305 174.700 0.004 0.000 1.062 489 T CA 0.491 62.600 62.100 0.016 0.000 1.083 489 T CB 0.444 69.325 68.868 0.022 0.000 0.984 489 T HN 0.625 nan 8.240 nan 0.000 0.542 490 D N 2.046 122.438 120.400 -0.014 0.000 2.350 490 D HA 0.035 4.675 4.640 0.000 0.000 0.213 490 D C 0.438 176.723 176.300 -0.025 0.000 1.031 490 D CA 0.240 54.229 54.000 -0.018 0.000 0.861 490 D CB 0.123 40.907 40.800 -0.028 0.000 0.926 490 D HN 0.317 nan 8.370 nan 0.000 0.520 491 M N 1.717 121.301 119.600 -0.027 0.000 2.854 491 M HA 0.218 4.698 4.480 0.000 0.000 0.203 491 M C -0.656 175.630 176.300 -0.024 0.000 1.069 491 M CA -0.277 55.000 55.300 -0.039 0.000 0.803 491 M CB 0.893 33.455 32.600 -0.064 0.000 1.380 491 M HN -0.013 nan 8.290 nan 0.000 0.494 492 K N 0.186 120.582 120.400 -0.008 0.000 2.098 492 K HA 0.644 4.964 4.320 0.000 0.000 0.258 492 K C 0.238 176.838 176.600 -0.000 0.000 0.973 492 K CA -0.870 55.425 56.287 0.013 0.000 0.898 492 K CB 1.802 34.318 32.500 0.028 0.000 1.057 492 K HN 0.158 nan 8.250 nan 0.000 0.447 493 V N -0.655 119.269 119.914 0.017 0.000 2.529 493 V HA 0.055 4.175 4.120 0.000 0.000 0.292 493 V C -0.708 175.391 176.094 0.008 0.000 1.028 493 V CA -0.399 61.899 62.300 -0.003 0.000 1.074 493 V CB 0.112 31.944 31.823 0.015 0.000 0.958 493 V HN 0.676 nan 8.190 nan 0.000 0.481 494 D N 5.160 125.556 120.400 -0.008 0.000 2.429 494 D HA 0.548 5.188 4.640 0.000 0.000 0.253 494 D C 0.555 176.862 176.300 0.011 0.000 1.294 494 D CA 1.526 55.526 54.000 0.000 0.000 1.063 494 D CB 0.184 40.979 40.800 -0.009 0.000 1.096 494 D HN 1.177 nan 8.370 nan 0.000 0.516 495 G N 0.000 108.814 108.800 0.024 0.000 5.446 495 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 495 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 495 G CA 0.000 45.120 45.100 0.033 0.000 0.502 495 G HN 0.000 nan 8.290 nan 0.000 0.925