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 3k4d_1_A DATA FIRST_RESID -1 DATA SEQUENCE SHMLRPVETP TREIKKLDGL WAFSLDRENC GIDQRWWESA LQESRAIAVP DATA SEQUENCE GSFNDQFADA DIRNYAGNVW YQREVFIPKG WAGQRIVLRF DAVTHYGKVW DATA SEQUENCE VNNQEVMEHQ GGYTPFEADV TPYVIAGKSV RITVCVNNEL NWQTIPPGMV DATA SEQUENCE ITDENGKKKQ SYFHDFFNYA GIHRSVMLYT TPNTWVDDIT VVTHVAQDCN DATA SEQUENCE HASVDWQVVA NGDVSVELRD ADQQVVATGQ GTSGTLQVVN PHLWQPGEGY DATA SEQUENCE LYELCVTAKS QTECDIYPLR VGIRSVAVKG EQFLINHKPF YFTGFGRHED DATA SEQUENCE ADLRGKGFDN VLMVHDHALM DWIGANSYRT SHYPYAEEML DWADEHGIVV DATA SEQUENCE IDETAAVGFN LSLGXXXXXX XKPKELYSEE AVNGETQQAH LQAIKELIAR DATA SEQUENCE DKNHPSVVMW SIANEPDTRP QGAREYFAPL AEATRKLDPT RPITCVNVMF DATA SEQUENCE CDAHTDTISD LFDVLCLNRY YGWYVQSGDL ETAEKVLEKE LLAWQEKLHQ DATA SEQUENCE PIIITEYGVD TLAGLHSMYT DMWSEEYQCA WLDMYHRVFD RVSAVVGEQV DATA SEQUENCE WNFADFATSQ GILRVGGNKK GIFTRDRKPK SAAFLLQKRW TGMNFGEKPQ DATA SEQUENCE QGG 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 -1 S HA 0.000 nan 4.470 nan 0.000 0.327 -1 S C 0.000 174.542 174.600 -0.097 0.000 1.055 -1 S CA 0.000 58.200 58.200 -0.001 0.000 1.107 -1 S CB 0.000 63.342 63.200 0.236 0.000 0.593 0 H N 0.031 119.182 119.070 0.134 0.000 2.622 0 H HA 0.769 5.324 4.556 -0.002 0.000 0.363 0 H C -1.397 174.011 175.328 0.133 0.000 1.151 0 H CA -0.778 55.351 56.048 0.135 0.000 1.184 0 H CB 1.771 31.618 29.762 0.142 0.000 1.643 0 H HN 0.551 nan 8.280 nan 0.000 0.531 1 M N 3.276 123.016 119.600 0.233 0.000 2.106 1 M HA 0.312 4.791 4.480 -0.002 0.000 0.288 1 M C -1.734 174.630 176.300 0.107 0.000 0.941 1 M CA -0.191 55.207 55.300 0.162 0.000 0.934 1 M CB 1.111 33.792 32.600 0.135 0.000 1.551 1 M HN 0.441 nan 8.290 nan 0.000 0.437 2 L N 2.347 123.614 121.223 0.073 0.000 2.344 2 L HA 0.665 5.003 4.340 -0.002 0.000 0.272 2 L C -0.061 176.840 176.870 0.052 0.000 1.035 2 L CA -1.183 53.648 54.840 -0.014 0.000 0.807 2 L CB 1.657 43.577 42.059 -0.233 0.000 1.237 2 L HN 0.553 nan 8.230 nan 0.000 0.442 3 R N 3.138 123.718 120.500 0.133 0.000 2.234 3 R HA 0.305 4.643 4.340 -0.002 0.000 0.324 3 R C -2.478 173.879 176.300 0.095 0.000 1.054 3 R CA -1.939 54.223 56.100 0.102 0.000 0.912 3 R CB 0.551 30.927 30.300 0.127 0.000 1.030 3 R HN 0.119 nan 8.270 nan 0.000 0.455 4 P HA -0.037 nan 4.420 nan 0.000 0.257 4 P C -1.036 176.184 177.300 -0.134 0.000 1.189 4 P CA 0.238 63.169 63.100 -0.283 0.000 0.780 4 P CB 0.446 31.789 31.700 -0.595 0.000 0.772 5 V N 2.538 122.382 119.914 -0.116 0.000 2.960 5 V HA 0.432 4.551 4.120 -0.002 0.000 0.315 5 V C 0.288 176.321 176.094 -0.103 0.000 1.087 5 V CA -0.983 61.221 62.300 -0.160 0.000 0.982 5 V CB 2.222 33.844 31.823 -0.336 0.000 1.039 5 V HN 0.329 nan 8.190 nan 0.000 0.437 6 E N 0.552 120.708 120.200 -0.074 0.000 2.242 6 E HA 0.735 5.083 4.350 -0.002 0.000 0.275 6 E C -0.434 176.142 176.600 -0.041 0.000 1.002 6 E CA -0.091 56.293 56.400 -0.027 0.000 0.841 6 E CB 1.961 31.664 29.700 0.006 0.000 1.109 6 E HN 0.931 nan 8.360 nan 0.000 0.394 7 T N 1.010 115.557 114.554 -0.013 0.000 3.328 7 T HA 0.014 4.362 4.350 -0.002 0.000 0.080 7 T C -1.875 172.830 174.700 0.009 0.000 0.538 7 T CA -0.284 61.810 62.100 -0.009 0.000 0.572 7 T CB -1.254 67.597 68.868 -0.028 0.000 1.025 7 T HN 0.262 nan 8.240 nan 0.000 0.203 8 P HA 0.096 nan 4.420 nan 0.000 0.217 8 P C 0.214 177.518 177.300 0.006 0.000 1.150 8 P CA 1.280 64.389 63.100 0.014 0.000 0.832 8 P CB -0.443 31.271 31.700 0.023 0.000 0.787 9 T N 0.722 115.286 114.554 0.018 0.000 2.884 9 T HA 0.409 4.757 4.350 -0.002 0.000 0.298 9 T C 0.161 174.879 174.700 0.030 0.000 0.998 9 T CA -0.436 61.676 62.100 0.020 0.000 1.124 9 T CB 1.094 70.012 68.868 0.084 0.000 0.931 9 T HN -0.037 nan 8.240 nan 0.000 0.531 10 R N 1.325 121.832 120.500 0.011 0.000 2.744 10 R HA 0.502 4.840 4.340 -0.002 0.000 0.279 10 R C -0.960 175.465 176.300 0.209 0.000 0.977 10 R CA -0.912 55.257 56.100 0.115 0.000 0.906 10 R CB 1.830 32.249 30.300 0.199 0.000 1.197 10 R HN 0.576 nan 8.270 nan 0.000 0.463 11 E N 1.703 122.053 120.200 0.250 0.000 2.166 11 E HA 0.362 4.710 4.350 -0.002 0.000 0.275 11 E C -0.595 176.198 176.600 0.322 0.000 0.941 11 E CA -0.475 56.095 56.400 0.283 0.000 0.784 11 E CB 1.626 31.409 29.700 0.139 0.000 1.115 11 E HN 0.208 nan 8.360 nan 0.000 0.399 12 I N 3.218 124.013 120.570 0.375 0.000 2.392 12 I HA 0.143 4.312 4.170 -0.002 0.000 0.295 12 I C 1.307 177.510 176.117 0.142 0.000 0.985 12 I CA -0.165 61.245 61.300 0.183 0.000 1.221 12 I CB 1.728 39.756 38.000 0.047 0.000 1.366 12 I HN 0.630 nan 8.210 nan 0.000 0.467 13 K N 4.706 125.165 120.400 0.099 0.000 1.973 13 K HA -0.074 4.244 4.320 -0.002 0.000 0.210 13 K C 0.389 177.055 176.600 0.110 0.000 1.045 13 K CA 1.278 57.622 56.287 0.094 0.000 0.937 13 K CB 0.094 32.647 32.500 0.088 0.000 0.721 13 K HN 0.434 nan 8.250 nan 0.000 0.438 14 K N -0.009 120.465 120.400 0.123 0.000 3.012 14 K HA -0.195 4.123 4.320 -0.002 0.000 0.259 14 K C 0.419 177.210 176.600 0.317 0.000 0.989 14 K CA 0.689 57.089 56.287 0.188 0.000 0.728 14 K CB -1.370 31.237 32.500 0.178 0.000 1.260 14 K HN 0.375 nan 8.250 nan 0.000 0.480 15 L N -0.410 120.953 121.223 0.233 0.000 3.016 15 L HA 0.162 4.501 4.340 -0.002 0.000 0.267 15 L C -0.264 176.742 176.870 0.228 0.000 1.182 15 L CA -0.346 54.620 54.840 0.209 0.000 0.997 15 L CB 0.478 42.608 42.059 0.119 0.000 1.354 15 L HN 0.061 nan 8.230 nan 0.000 0.569 16 D N 0.880 121.420 120.400 0.233 0.000 2.629 16 D HA -0.060 4.578 4.640 -0.002 0.000 0.228 16 D C 0.924 177.441 176.300 0.363 0.000 1.127 16 D CA 1.104 55.236 54.000 0.220 0.000 0.855 16 D CB 1.467 42.366 40.800 0.166 0.000 1.180 16 D HN 0.419 nan 8.370 nan 0.000 0.484 17 G N 2.121 111.096 108.800 0.291 0.000 2.545 17 G HA2 0.014 3.973 3.960 -0.002 0.000 0.212 17 G HA3 0.014 3.973 3.960 -0.002 0.000 0.212 17 G C 0.798 175.991 174.900 0.490 0.000 1.144 17 G CA -0.241 45.051 45.100 0.321 0.000 0.813 17 G HN 0.385 nan 8.290 nan 0.000 0.531 18 L N 1.652 123.118 121.223 0.405 0.000 2.407 18 L HA 0.342 4.680 4.340 -0.002 0.000 0.282 18 L C -0.739 176.430 176.870 0.497 0.000 1.110 18 L CA -0.658 54.408 54.840 0.377 0.000 0.863 18 L CB 0.334 42.518 42.059 0.208 0.000 1.207 18 L HN 0.118 nan 8.230 nan 0.000 0.454 19 W N 1.972 123.395 121.300 0.206 0.000 2.799 19 W HA 0.696 5.355 4.660 -0.002 0.000 0.349 19 W C -0.019 176.638 176.519 0.230 0.000 1.100 19 W CA -1.103 56.392 57.345 0.250 0.000 1.174 19 W CB 1.481 31.174 29.460 0.389 0.000 1.427 19 W HN 0.382 nan 8.180 nan 0.000 0.547 20 A N 2.251 125.323 122.820 0.421 0.000 2.388 20 A HA 0.612 4.930 4.320 -0.002 0.000 0.257 20 A C -1.530 176.266 177.584 0.355 0.000 1.095 20 A CA 0.059 52.274 52.037 0.297 0.000 0.791 20 A CB 0.089 19.197 19.000 0.181 0.000 1.029 20 A HN 0.590 nan 8.150 nan 0.000 0.489 21 F N 1.852 121.825 119.950 0.039 0.000 2.596 21 F HA 0.581 5.107 4.527 -0.002 0.000 0.311 21 F C -0.134 175.602 175.800 -0.107 0.000 1.116 21 F CA 0.155 58.102 58.000 -0.088 0.000 0.957 21 F CB 1.965 40.850 39.000 -0.193 0.000 1.250 21 F HN 0.812 nan 8.300 nan 0.000 0.444 22 S N 5.767 120.995 115.700 -0.787 0.000 2.579 22 S HA 0.719 5.187 4.470 -0.002 0.000 0.272 22 S C -1.503 172.652 174.600 -0.742 0.000 1.141 22 S CA -1.064 56.755 58.200 -0.634 0.000 0.843 22 S CB 1.615 64.648 63.200 -0.279 0.000 1.122 22 S HN 0.767 nan 8.310 nan 0.000 0.468 23 L N 1.308 122.196 121.223 -0.557 0.000 2.439 23 L HA 0.491 4.830 4.340 -0.002 0.000 0.261 23 L C -0.162 176.678 176.870 -0.049 0.000 1.153 23 L CA -0.436 54.102 54.840 -0.503 0.000 0.808 23 L CB 0.465 42.113 42.059 -0.684 0.000 1.126 23 L HN 0.809 nan 8.230 nan 0.000 0.460 24 D N 0.357 120.810 120.400 0.089 0.000 2.634 24 D HA 0.185 4.824 4.640 -0.002 0.000 0.318 24 D C 1.063 177.503 176.300 0.233 0.000 1.226 24 D CA -0.307 53.827 54.000 0.223 0.000 0.899 24 D CB 0.459 41.426 40.800 0.278 0.000 1.025 24 D HN 0.331 nan 8.370 nan 0.000 0.501 25 R N 0.302 120.919 120.500 0.194 0.000 2.115 25 R HA -0.041 4.298 4.340 -0.002 0.000 0.230 25 R C 0.866 177.261 176.300 0.159 0.000 1.111 25 R CA 0.742 56.986 56.100 0.240 0.000 0.976 25 R CB 0.325 30.725 30.300 0.167 0.000 0.870 25 R HN 0.240 nan 8.270 nan 0.000 0.445 26 E N 0.251 120.523 120.200 0.119 0.000 2.442 26 E HA -0.051 4.297 4.350 -0.002 0.000 0.195 26 E C 0.081 176.707 176.600 0.044 0.000 1.030 26 E CA 0.004 56.450 56.400 0.075 0.000 0.869 26 E CB -0.229 29.514 29.700 0.071 0.000 0.857 26 E HN 0.137 nan 8.360 nan 0.000 0.505 27 N N -0.095 118.628 118.700 0.038 0.000 2.758 27 N HA -0.192 4.546 4.740 -0.002 0.000 0.248 27 N C 0.268 175.735 175.510 -0.072 0.000 1.076 27 N CA 0.696 53.745 53.050 -0.002 0.000 0.696 27 N CB -1.798 36.700 38.487 0.018 0.000 0.979 27 N HN 0.168 nan 8.380 nan 0.000 0.550 28 C N -2.464 116.747 119.300 -0.148 0.000 2.485 28 C HA 0.254 4.713 4.460 -0.002 0.000 0.277 28 C C 2.719 177.404 174.990 -0.509 0.000 1.376 28 C CA 0.367 59.276 59.018 -0.181 0.000 1.759 28 C CB -1.063 26.691 27.740 0.024 0.000 1.970 28 C HN 0.680 nan 8.230 nan 0.000 0.509 29 G N 1.499 109.687 108.800 -1.020 0.000 2.505 29 G HA2 -0.231 3.727 3.960 -0.002 0.000 0.220 29 G HA3 -0.231 3.727 3.960 -0.002 0.000 0.220 29 G C 1.438 175.847 174.900 -0.819 0.000 1.145 29 G CA 1.131 45.088 45.100 -1.906 0.000 0.761 29 G HN 0.562 nan 8.290 nan 0.000 0.571 30 I N 0.633 121.161 120.570 -0.070 0.000 2.333 30 I HA -0.040 4.129 4.170 -0.002 0.000 0.246 30 I C 2.245 178.396 176.117 0.057 0.000 1.106 30 I CA 0.852 62.321 61.300 0.282 0.000 1.411 30 I CB -0.146 38.079 38.000 0.376 0.000 1.082 30 I HN 0.014 nan 8.210 nan 0.000 0.420 31 D N 0.871 121.243 120.400 -0.046 0.000 2.116 31 D HA -0.237 4.402 4.640 -0.002 0.000 0.193 31 D C 1.949 178.168 176.300 -0.135 0.000 0.998 31 D CA 1.476 55.445 54.000 -0.051 0.000 0.836 31 D CB -0.334 40.439 40.800 -0.044 0.000 0.951 31 D HN 0.483 nan 8.370 nan 0.000 0.449 32 Q N -0.273 119.392 119.800 -0.224 0.000 2.360 32 Q HA 0.177 4.516 4.340 -0.002 0.000 0.202 32 Q C -0.268 175.507 176.000 -0.376 0.000 0.915 32 Q CA -0.175 55.524 55.803 -0.174 0.000 0.943 32 Q CB 0.383 29.169 28.738 0.080 0.000 1.064 32 Q HN 0.183 nan 8.270 nan 0.000 0.511 33 R N -0.748 119.273 120.500 -0.799 0.000 3.264 33 R HA -0.199 4.139 4.340 -0.002 0.000 0.251 33 R C -0.413 175.042 176.300 -1.409 0.000 0.971 33 R CA 0.214 55.199 56.100 -1.859 0.000 0.658 33 R CB -1.911 27.497 30.300 -1.486 0.000 1.095 33 R HN 0.367 nan 8.270 nan 0.000 0.443 34 W N 0.310 120.882 121.300 -1.213 0.000 2.321 34 W HA -0.196 4.462 4.660 -0.003 0.000 0.285 34 W C 1.986 178.132 176.519 -0.621 0.000 1.213 34 W CA 1.226 58.021 57.345 -0.916 0.000 1.205 34 W CB -0.929 27.803 29.460 -1.213 0.000 1.134 34 W HN 0.721 nan 8.180 nan 0.000 0.549 35 W N 0.372 121.496 121.300 -0.294 0.000 2.538 35 W HA -0.021 4.637 4.660 -0.002 0.000 0.254 35 W C 1.393 177.842 176.519 -0.117 0.000 1.249 35 W CA 1.154 58.378 57.345 -0.202 0.000 1.253 35 W CB -1.313 27.757 29.460 -0.650 0.000 1.130 35 W HN -0.001 nan 8.180 nan 0.000 0.618 36 E N 0.584 120.515 120.200 -0.449 0.000 2.385 36 E HA -0.002 4.346 4.350 -0.002 0.000 0.194 36 E C 0.817 177.331 176.600 -0.144 0.000 1.013 36 E CA 0.844 57.088 56.400 -0.259 0.000 0.866 36 E CB 0.183 29.645 29.700 -0.397 0.000 0.832 36 E HN 0.294 nan 8.360 nan 0.000 0.500 37 S N -1.230 114.370 115.700 -0.168 0.000 2.720 37 S HA 0.695 5.164 4.470 -0.002 0.000 0.287 37 S C -0.458 174.073 174.600 -0.116 0.000 1.168 37 S CA -0.791 57.330 58.200 -0.131 0.000 0.832 37 S CB 1.320 64.418 63.200 -0.171 0.000 1.166 37 S HN 0.040 nan 8.310 nan 0.000 0.493 38 A N 0.890 123.646 122.820 -0.107 0.000 2.540 38 A HA 0.434 4.753 4.320 -0.002 0.000 0.239 38 A C 0.353 177.833 177.584 -0.173 0.000 1.061 38 A CA -0.356 51.623 52.037 -0.096 0.000 0.758 38 A CB -0.737 18.212 19.000 -0.085 0.000 0.991 38 A HN 0.781 nan 8.150 nan 0.000 0.502 39 L N 2.432 123.573 121.223 -0.136 0.000 2.540 39 L HA 0.034 4.372 4.340 -0.002 0.000 0.276 39 L C 0.952 177.636 176.870 -0.309 0.000 1.212 39 L CA 0.182 54.877 54.840 -0.243 0.000 0.893 39 L CB 0.204 42.211 42.059 -0.087 0.000 1.138 39 L HN 0.881 nan 8.230 nan 0.000 0.491 40 Q N 2.199 121.694 119.800 -0.507 0.000 2.230 40 Q HA 0.341 4.680 4.340 -0.002 0.000 0.253 40 Q C -0.408 175.356 176.000 -0.392 0.000 0.919 40 Q CA -0.903 54.642 55.803 -0.429 0.000 0.908 40 Q CB 1.554 29.991 28.738 -0.502 0.000 1.245 40 Q HN 0.396 nan 8.270 nan 0.000 0.437 41 E N -0.073 119.969 120.200 -0.262 0.000 2.389 41 E HA -0.171 4.178 4.350 -0.002 0.000 0.243 41 E C -1.191 175.299 176.600 -0.182 0.000 1.154 41 E CA 1.189 57.465 56.400 -0.205 0.000 0.723 41 E CB -1.613 27.958 29.700 -0.216 0.000 1.261 41 E HN 0.717 nan 8.360 nan 0.000 0.390 42 S N -0.198 115.416 115.700 -0.144 0.000 2.462 42 S HA 0.725 5.194 4.470 -0.002 0.000 0.294 42 S C 0.229 174.813 174.600 -0.026 0.000 1.144 42 S CA -0.737 57.410 58.200 -0.088 0.000 1.088 42 S CB 1.798 64.966 63.200 -0.053 0.000 1.009 42 S HN 0.394 nan 8.310 nan 0.000 0.484 43 R N 1.961 122.464 120.500 0.004 0.000 2.643 43 R HA 0.800 5.139 4.340 -0.002 0.000 0.272 43 R C -0.108 176.279 176.300 0.145 0.000 0.995 43 R CA -0.747 55.374 56.100 0.035 0.000 1.032 43 R CB 0.827 31.090 30.300 -0.062 0.000 1.126 43 R HN 0.715 nan 8.270 nan 0.000 0.505 44 A N 3.210 126.126 122.820 0.159 0.000 2.511 44 A HA 0.332 4.651 4.320 -0.002 0.000 0.242 44 A C -0.205 177.567 177.584 0.312 0.000 1.069 44 A CA -0.241 51.928 52.037 0.220 0.000 0.763 44 A CB -0.079 19.025 19.000 0.173 0.000 1.001 44 A HN 0.755 nan 8.150 nan 0.000 0.498 45 I N 0.840 121.590 120.570 0.299 0.000 2.865 45 I HA 0.640 4.808 4.170 -0.002 0.000 0.302 45 I C 0.031 176.270 176.117 0.204 0.000 1.140 45 I CA -0.860 60.580 61.300 0.232 0.000 1.021 45 I CB 2.060 40.120 38.000 0.099 0.000 1.233 45 I HN 0.739 nan 8.210 nan 0.000 0.427 46 A N 5.510 128.385 122.820 0.091 0.000 2.309 46 A HA 0.618 4.937 4.320 -0.002 0.000 0.298 46 A C -0.981 176.640 177.584 0.062 0.000 1.165 46 A CA -0.404 51.687 52.037 0.089 0.000 0.821 46 A CB 1.185 20.193 19.000 0.013 0.000 1.102 46 A HN 0.781 nan 8.150 nan 0.000 0.500 47 V N 3.285 123.226 119.914 0.045 0.000 2.445 47 V HA 0.743 4.862 4.120 -0.002 0.000 0.283 47 V C -3.029 173.056 176.094 -0.015 0.000 1.014 47 V CA -1.702 60.551 62.300 -0.079 0.000 0.852 47 V CB 2.058 33.614 31.823 -0.444 0.000 1.021 47 V HN 0.746 nan 8.190 nan 0.000 0.435 48 P HA 0.915 nan 4.420 nan 0.000 0.298 48 P C -0.374 176.928 177.300 0.003 0.000 1.341 48 P CA -0.499 62.599 63.100 -0.003 0.000 0.988 48 P CB 2.548 34.299 31.700 0.084 0.000 1.265 49 G N -0.115 108.695 108.800 0.017 0.000 2.384 49 G HA2 0.290 4.249 3.960 -0.002 0.000 0.300 49 G HA3 0.290 4.249 3.960 -0.002 0.000 0.300 49 G C -1.148 173.816 174.900 0.107 0.000 1.582 49 G CA -0.495 44.616 45.100 0.018 0.000 0.875 49 G HN 0.323 nan 8.290 nan 0.000 0.628 50 S N -0.218 115.548 115.700 0.110 0.000 2.573 50 S HA 0.330 4.799 4.470 -0.002 0.000 0.277 50 S C 1.209 175.812 174.600 0.005 0.000 1.346 50 S CA 0.384 58.642 58.200 0.097 0.000 1.034 50 S CB 0.378 63.519 63.200 -0.099 0.000 0.879 50 S HN 1.048 nan 8.310 nan 0.000 0.528 51 F N 1.312 121.328 119.950 0.109 0.000 2.664 51 F HA 0.217 4.743 4.527 -0.002 0.000 0.296 51 F C 1.361 177.201 175.800 0.066 0.000 1.125 51 F CA 0.108 58.100 58.000 -0.014 0.000 1.444 51 F CB -0.757 38.241 39.000 -0.004 0.000 1.114 51 F HN 0.473 nan 8.300 nan 0.000 0.576 52 N N 1.136 119.741 118.700 -0.159 0.000 2.084 52 N HA -0.168 4.571 4.740 -0.002 0.000 0.190 52 N C 0.503 176.127 175.510 0.189 0.000 1.030 52 N CA 1.721 54.842 53.050 0.119 0.000 0.849 52 N CB -0.346 38.264 38.487 0.205 0.000 1.012 52 N HN 0.326 nan 8.380 nan 0.000 0.423 53 D N 0.599 121.034 120.400 0.060 0.000 2.350 53 D HA 0.035 4.673 4.640 -0.002 0.000 0.213 53 D C 1.613 177.819 176.300 -0.158 0.000 1.031 53 D CA 0.208 54.202 54.000 -0.010 0.000 0.861 53 D CB 0.027 40.815 40.800 -0.020 0.000 0.926 53 D HN 0.261 nan 8.370 nan 0.000 0.520 54 Q N -0.628 118.932 119.800 -0.400 0.000 2.291 54 Q HA -0.076 4.263 4.340 -0.002 0.000 0.206 54 Q C 0.445 176.033 176.000 -0.686 0.000 0.976 54 Q CA 0.893 56.271 55.803 -0.708 0.000 0.875 54 Q CB 0.056 28.106 28.738 -1.146 0.000 0.927 54 Q HN 0.365 nan 8.270 nan 0.000 0.450 55 F N -1.440 118.533 119.950 0.039 0.000 2.683 55 F HA 0.440 4.966 4.527 -0.002 0.000 0.306 55 F C 0.687 176.517 175.800 0.050 0.000 1.102 55 F CA -0.206 57.821 58.000 0.045 0.000 1.244 55 F CB 0.164 39.202 39.000 0.063 0.000 1.029 55 F HN -0.175 nan 8.300 nan 0.000 0.545 56 A N 1.277 124.179 122.820 0.136 0.000 2.596 56 A HA -0.267 4.052 4.320 -0.002 0.000 0.300 56 A C -0.103 177.563 177.584 0.136 0.000 1.495 56 A CA 1.279 53.378 52.037 0.103 0.000 0.769 56 A CB -1.933 17.107 19.000 0.066 0.000 1.047 56 A HN 0.433 nan 8.150 nan 0.000 0.436 57 D N -1.377 119.136 120.400 0.188 0.000 2.542 57 D HA 0.685 5.324 4.640 -0.002 0.000 0.252 57 D C 0.919 177.329 176.300 0.184 0.000 1.222 57 D CA 0.328 54.434 54.000 0.176 0.000 0.895 57 D CB 1.175 42.091 40.800 0.194 0.000 1.207 57 D HN 0.542 nan 8.370 nan 0.000 0.558 58 A N 3.746 126.650 122.820 0.141 0.000 1.948 58 A HA -0.210 4.109 4.320 -0.002 0.000 0.220 58 A C 1.557 179.254 177.584 0.189 0.000 1.177 58 A CA 1.612 53.735 52.037 0.144 0.000 0.636 58 A CB -0.180 18.884 19.000 0.107 0.000 0.815 58 A HN 0.617 nan 8.150 nan 0.000 0.449 59 D N -0.279 120.230 120.400 0.181 0.000 2.194 59 D HA -0.020 4.619 4.640 -0.002 0.000 0.204 59 D C 1.883 178.351 176.300 0.280 0.000 0.964 59 D CA 0.879 55.001 54.000 0.203 0.000 0.846 59 D CB -0.290 40.600 40.800 0.149 0.000 0.962 59 D HN 0.551 nan 8.370 nan 0.000 0.490 60 I N 0.598 121.339 120.570 0.285 0.000 2.315 60 I HA -0.184 3.985 4.170 -0.002 0.000 0.248 60 I C 2.595 179.067 176.117 0.592 0.000 1.117 60 I CA 0.664 62.204 61.300 0.399 0.000 1.404 60 I CB -0.177 38.069 38.000 0.411 0.000 1.071 60 I HN -0.088 nan 8.210 nan 0.000 0.419 61 R N 1.651 122.421 120.500 0.449 0.000 2.081 61 R HA -0.135 4.204 4.340 -0.002 0.000 0.235 61 R C 1.352 177.936 176.300 0.472 0.000 1.131 61 R CA 1.883 58.234 56.100 0.419 0.000 0.960 61 R CB -0.153 30.300 30.300 0.255 0.000 0.856 61 R HN 0.435 nan 8.270 nan 0.000 0.436 62 N N -0.592 118.343 118.700 0.393 0.000 2.314 62 N HA -0.055 4.684 4.740 -0.002 0.000 0.200 62 N C -0.746 174.953 175.510 0.316 0.000 1.135 62 N CA -0.357 52.887 53.050 0.323 0.000 0.835 62 N CB 0.196 38.823 38.487 0.234 0.000 0.989 62 N HN 0.157 nan 8.380 nan 0.000 0.478 63 Y N 2.313 122.793 120.300 0.299 0.000 2.511 63 Y HA 0.247 4.796 4.550 -0.003 0.000 0.332 63 Y C -0.151 175.893 175.900 0.240 0.000 1.177 63 Y CA -1.003 57.257 58.100 0.266 0.000 1.422 63 Y CB 0.374 39.025 38.460 0.319 0.000 1.271 63 Y HN -0.027 nan 8.280 nan 0.000 0.550 64 A N 4.612 127.080 122.820 -0.587 0.000 2.330 64 A HA 0.826 5.145 4.320 -0.002 0.000 0.313 64 A C 0.150 177.239 177.584 -0.825 0.000 1.124 64 A CA 0.178 51.918 52.037 -0.495 0.000 0.774 64 A CB 0.746 19.599 19.000 -0.244 0.000 1.198 64 A HN 1.677 nan 8.150 nan 0.000 0.465 65 G N 1.562 110.082 108.800 -0.467 0.000 2.255 65 G HA2 -0.069 3.890 3.960 -0.002 0.000 0.216 65 G HA3 -0.069 3.890 3.960 -0.002 0.000 0.216 65 G C -0.933 173.980 174.900 0.022 0.000 1.307 65 G CA -0.697 44.248 45.100 -0.258 0.000 1.162 65 G HN 0.836 nan 8.290 nan 0.000 0.494 66 N N 0.377 119.182 118.700 0.176 0.000 2.479 66 N HA 0.554 5.292 4.740 -0.002 0.000 0.285 66 N C -0.071 175.582 175.510 0.237 0.000 1.075 66 N CA 0.294 53.442 53.050 0.163 0.000 0.967 66 N CB 2.281 40.810 38.487 0.070 0.000 1.137 66 N HN 1.077 nan 8.380 nan 0.000 0.472 67 V N -0.698 119.237 119.914 0.034 0.000 3.001 67 V HA 0.703 4.822 4.120 -0.002 0.000 0.314 67 V C -1.592 174.420 176.094 -0.136 0.000 1.099 67 V CA -0.905 61.325 62.300 -0.117 0.000 0.989 67 V CB 1.696 33.330 31.823 -0.314 0.000 1.040 67 V HN 0.572 nan 8.190 nan 0.000 0.434 68 W N 1.269 122.467 121.300 -0.171 0.000 2.656 68 W HA 0.759 5.418 4.660 -0.002 0.000 0.327 68 W C -1.112 175.478 176.519 0.119 0.000 1.041 68 W CA -0.555 56.860 57.345 0.118 0.000 1.229 68 W CB 1.574 31.169 29.460 0.224 0.000 1.397 68 W HN 0.608 nan 8.180 nan 0.000 0.479 69 Y N 2.169 122.762 120.300 0.488 0.000 2.352 69 Y HA 0.470 5.019 4.550 -0.002 0.000 0.339 69 Y C 0.285 176.582 175.900 0.660 0.000 0.992 69 Y CA -0.862 57.589 58.100 0.585 0.000 1.100 69 Y CB 1.915 40.668 38.460 0.488 0.000 1.192 69 Y HN 0.318 nan 8.280 nan 0.000 0.458 70 Q N 2.875 123.119 119.800 0.741 0.000 2.389 70 Q HA 0.698 5.037 4.340 -0.002 0.000 0.277 70 Q C -1.612 174.559 176.000 0.286 0.000 1.082 70 Q CA -1.233 54.877 55.803 0.512 0.000 0.810 70 Q CB 2.585 31.526 28.738 0.338 0.000 1.374 70 Q HN 0.761 nan 8.270 nan 0.000 0.422 71 R N 1.332 121.840 120.500 0.012 0.000 2.579 71 R HA 0.285 4.624 4.340 -0.002 0.000 0.260 71 R C -1.831 174.332 176.300 -0.228 0.000 1.103 71 R CA -0.278 55.601 56.100 -0.368 0.000 0.942 71 R CB 1.572 31.067 30.300 -1.343 0.000 1.251 71 R HN 0.562 nan 8.270 nan 0.000 0.450 72 E N 2.644 122.730 120.200 -0.191 0.000 2.179 72 E HA 0.555 4.904 4.350 -0.002 0.000 0.275 72 E C -1.205 175.298 176.600 -0.162 0.000 0.945 72 E CA -1.098 55.215 56.400 -0.146 0.000 0.792 72 E CB 2.625 32.262 29.700 -0.106 0.000 1.125 72 E HN 0.298 nan 8.360 nan 0.000 0.397 73 V N 3.223 123.038 119.914 -0.165 0.000 3.114 73 V HA 0.466 4.585 4.120 -0.002 0.000 0.308 73 V C -1.777 174.209 176.094 -0.179 0.000 1.168 73 V CA -0.708 61.527 62.300 -0.108 0.000 1.015 73 V CB 1.908 33.679 31.823 -0.086 0.000 1.050 73 V HN 0.563 nan 8.190 nan 0.000 0.433 74 F N 4.922 124.812 119.950 -0.099 0.000 2.404 74 F HA 0.555 5.080 4.527 -0.002 0.000 0.354 74 F C 0.360 176.051 175.800 -0.181 0.000 1.122 74 F CA -0.721 57.211 58.000 -0.115 0.000 1.080 74 F CB 1.374 40.304 39.000 -0.117 0.000 1.131 74 F HN 0.212 nan 8.300 nan 0.000 0.471 75 I N 5.874 126.425 120.570 -0.032 0.000 2.533 75 I HA 0.123 4.291 4.170 -0.002 0.000 0.284 75 I C -2.184 173.794 176.117 -0.230 0.000 1.109 75 I CA -2.887 58.330 61.300 -0.138 0.000 1.412 75 I CB -0.125 37.878 38.000 0.004 0.000 1.396 75 I HN 0.266 nan 8.210 nan 0.000 0.543 76 P HA 0.036 nan 4.420 nan 0.000 0.262 76 P C 0.616 177.749 177.300 -0.278 0.000 1.182 76 P CA 0.123 62.846 63.100 -0.628 0.000 0.761 76 P CB 0.559 31.427 31.700 -1.385 0.000 0.795 77 K N 2.589 122.917 120.400 -0.121 0.000 2.063 77 K HA -0.129 4.190 4.320 -0.002 0.000 0.208 77 K C 2.147 178.775 176.600 0.047 0.000 1.048 77 K CA 1.828 58.108 56.287 -0.011 0.000 0.928 77 K CB -0.705 31.791 32.500 -0.007 0.000 0.713 77 K HN 0.599 nan 8.250 nan 0.000 0.442 78 G N -0.035 108.796 108.800 0.051 0.000 2.653 78 G HA2 -0.185 3.774 3.960 -0.002 0.000 0.212 78 G HA3 -0.185 3.774 3.960 -0.002 0.000 0.212 78 G C 0.524 175.610 174.900 0.310 0.000 1.138 78 G CA 0.029 45.219 45.100 0.149 0.000 0.782 78 G HN 0.264 nan 8.290 nan 0.000 0.535 79 W N 0.340 121.646 121.300 0.010 0.000 2.467 79 W HA 0.338 4.997 4.660 -0.003 0.000 0.275 79 W C 2.037 178.551 176.519 -0.008 0.000 1.239 79 W CA 0.252 57.597 57.345 -0.000 0.000 1.266 79 W CB -0.606 28.854 29.460 -0.001 0.000 1.112 79 W HN 0.491 nan 8.180 nan 0.000 0.576 80 A N 0.395 123.333 122.820 0.196 0.000 5.236 80 A HA -0.290 4.029 4.320 -0.002 0.000 0.326 80 A C 1.623 179.243 177.584 0.059 0.000 1.825 80 A CA 2.374 54.471 52.037 0.099 0.000 0.710 80 A CB -1.924 17.122 19.000 0.077 0.000 1.383 80 A HN 0.654 nan 8.150 nan 0.000 0.386 81 G N -0.779 108.037 108.800 0.025 0.000 3.575 81 G HA2 0.442 4.401 3.960 -0.002 0.000 0.273 81 G HA3 0.442 4.401 3.960 -0.002 0.000 0.273 81 G C 0.336 175.211 174.900 -0.041 0.000 1.053 81 G CA 0.661 45.758 45.100 -0.006 0.000 0.803 81 G HN 0.686 nan 8.290 nan 0.000 0.528 82 Q N 0.453 120.213 119.800 -0.066 0.000 2.454 82 Q HA 0.149 4.487 4.340 -0.002 0.000 0.247 82 Q C 0.141 176.021 176.000 -0.199 0.000 1.028 82 Q CA 0.014 55.731 55.803 -0.144 0.000 0.910 82 Q CB 1.229 29.832 28.738 -0.226 0.000 1.276 82 Q HN 0.205 nan 8.270 nan 0.000 0.489 83 R N 1.674 122.021 120.500 -0.254 0.000 2.399 83 R HA 0.136 4.475 4.340 -0.002 0.000 0.324 83 R C -0.204 175.825 176.300 -0.452 0.000 1.030 83 R CA 0.173 56.064 56.100 -0.348 0.000 0.984 83 R CB -0.162 29.848 30.300 -0.483 0.000 0.961 83 R HN 0.413 nan 8.270 nan 0.000 0.433 84 I N 4.073 124.424 120.570 -0.365 0.000 2.336 84 I HA 0.236 4.404 4.170 -0.002 0.000 0.292 84 I C -0.239 175.657 176.117 -0.369 0.000 0.991 84 I CA -0.734 60.336 61.300 -0.385 0.000 1.227 84 I CB 1.726 39.645 38.000 -0.136 0.000 1.366 84 I HN 0.175 nan 8.210 nan 0.000 0.466 85 V N 6.794 126.396 119.914 -0.521 0.000 2.588 85 V HA 0.386 4.504 4.120 -0.002 0.000 0.304 85 V C -0.523 175.441 176.094 -0.218 0.000 1.042 85 V CA -0.756 61.259 62.300 -0.475 0.000 0.877 85 V CB 2.111 33.388 31.823 -0.911 0.000 0.996 85 V HN 0.432 nan 8.190 nan 0.000 0.425 86 L N 5.193 126.370 121.223 -0.076 0.000 2.272 86 L HA 0.736 5.075 4.340 -0.002 0.000 0.289 86 L C -0.248 176.589 176.870 -0.055 0.000 1.032 86 L CA -0.016 54.805 54.840 -0.031 0.000 0.810 86 L CB 1.039 43.108 42.059 0.015 0.000 1.205 86 L HN 0.816 nan 8.230 nan 0.000 0.422 87 R N 4.177 124.583 120.500 -0.157 0.000 2.686 87 R HA 0.639 4.977 4.340 -0.002 0.000 0.286 87 R C -1.877 174.074 176.300 -0.582 0.000 0.969 87 R CA -0.488 55.489 56.100 -0.204 0.000 0.898 87 R CB 1.223 31.518 30.300 -0.008 0.000 1.183 87 R HN 0.537 nan 8.270 nan 0.000 0.456 88 F N 2.787 122.436 119.950 -0.501 0.000 2.460 88 F HA 0.269 4.794 4.527 -0.003 0.000 0.341 88 F C 0.535 176.073 175.800 -0.437 0.000 1.130 88 F CA -0.707 56.953 58.000 -0.568 0.000 0.962 88 F CB 2.070 40.449 39.000 -1.036 0.000 1.171 88 F HN 0.611 nan 8.300 nan 0.000 0.436 89 D N 2.149 122.489 120.400 -0.100 0.000 2.178 89 D HA 0.119 4.758 4.640 -0.002 0.000 0.202 89 D C 0.501 176.822 176.300 0.034 0.000 0.974 89 D CA 1.059 55.035 54.000 -0.040 0.000 0.841 89 D CB 0.314 41.084 40.800 -0.050 0.000 0.953 89 D HN 0.496 nan 8.370 nan 0.000 0.478 90 A N -0.927 121.922 122.820 0.049 0.000 2.599 90 A HA 0.562 4.881 4.320 -0.002 0.000 0.294 90 A C -1.697 175.926 177.584 0.064 0.000 1.055 90 A CA -0.562 51.536 52.037 0.102 0.000 0.683 90 A CB 1.510 20.566 19.000 0.093 0.000 1.278 90 A HN -0.135 nan 8.150 nan 0.000 0.412 91 V N 1.263 121.225 119.914 0.079 0.000 2.655 91 V HA 0.453 4.571 4.120 -0.002 0.000 0.301 91 V C -0.179 175.805 176.094 -0.183 0.000 1.082 91 V CA -0.403 61.857 62.300 -0.067 0.000 0.899 91 V CB 2.104 33.913 31.823 -0.023 0.000 1.014 91 V HN 0.974 nan 8.190 nan 0.000 0.429 92 T N 4.617 118.946 114.554 -0.375 0.000 2.761 92 T HA 0.390 4.739 4.350 -0.002 0.000 0.296 92 T C 0.804 175.286 174.700 -0.364 0.000 0.934 92 T CA 0.750 62.534 62.100 -0.526 0.000 1.091 92 T CB -0.048 68.380 68.868 -0.733 0.000 0.896 92 T HN 1.013 nan 8.240 nan 0.000 0.515 93 H N 0.777 119.762 119.070 -0.141 0.000 4.884 93 H HA -0.255 4.299 4.556 -0.002 0.000 0.061 93 H C -0.206 175.116 175.328 -0.009 0.000 0.590 93 H CA 2.082 58.098 56.048 -0.054 0.000 0.961 93 H CB -0.770 28.974 29.762 -0.029 0.000 0.443 93 H HN 0.681 nan 8.280 nan 0.000 0.794 94 Y N 0.746 121.018 120.300 -0.047 0.000 2.479 94 Y HA 0.566 5.114 4.550 -0.002 0.000 0.338 94 Y C -0.646 175.145 175.900 -0.182 0.000 1.055 94 Y CA -0.001 58.010 58.100 -0.149 0.000 1.023 94 Y CB 2.212 40.591 38.460 -0.135 0.000 1.287 94 Y HN 0.476 nan 8.280 nan 0.000 0.447 95 G N 5.069 113.222 108.800 -1.079 0.000 2.662 95 G HA2 0.511 4.470 3.960 -0.002 0.000 0.302 95 G HA3 0.511 4.470 3.960 -0.002 0.000 0.302 95 G C -2.228 171.982 174.900 -1.150 0.000 1.389 95 G CA -1.043 43.531 45.100 -0.878 0.000 0.998 95 G HN 0.598 nan 8.290 nan 0.000 0.502 96 K N 1.674 121.632 120.400 -0.737 0.000 2.397 96 K HA 0.648 4.967 4.320 -0.002 0.000 0.253 96 K C -1.164 175.058 176.600 -0.630 0.000 0.932 96 K CA -0.573 55.298 56.287 -0.692 0.000 0.795 96 K CB 2.305 34.473 32.500 -0.554 0.000 1.159 96 K HN 0.280 nan 8.250 nan 0.000 0.424 97 V N 4.236 123.757 119.914 -0.654 0.000 2.495 97 V HA 0.491 4.609 4.120 -0.002 0.000 0.298 97 V C -0.788 175.027 176.094 -0.464 0.000 1.031 97 V CA -0.793 61.315 62.300 -0.320 0.000 0.871 97 V CB 1.412 33.183 31.823 -0.087 0.000 0.988 97 V HN 0.717 nan 8.190 nan 0.000 0.432 98 W N 3.008 124.330 121.300 0.037 0.000 2.600 98 W HA 0.547 5.206 4.660 -0.002 0.000 0.325 98 W C -0.951 175.636 176.519 0.114 0.000 1.034 98 W CA -0.694 56.657 57.345 0.010 0.000 1.226 98 W CB 2.206 31.671 29.460 0.007 0.000 1.379 98 W HN 0.276 nan 8.180 nan 0.000 0.466 99 V N 3.835 123.898 119.914 0.248 0.000 2.320 99 V HA 0.041 4.159 4.120 -0.002 0.000 0.265 99 V C 0.391 176.630 176.094 0.243 0.000 1.048 99 V CA -0.381 62.051 62.300 0.219 0.000 0.865 99 V CB -0.157 31.753 31.823 0.144 0.000 1.043 99 V HN 0.721 nan 8.190 nan 0.000 0.474 100 N N 5.182 124.040 118.700 0.264 0.000 2.688 100 N HA -0.240 4.499 4.740 -0.002 0.000 0.258 100 N C 0.226 175.914 175.510 0.295 0.000 1.016 100 N CA 0.656 53.848 53.050 0.238 0.000 0.747 100 N CB -1.023 37.560 38.487 0.160 0.000 0.895 100 N HN 1.024 nan 8.380 nan 0.000 0.543 101 N N -2.007 116.967 118.700 0.456 0.000 2.776 101 N HA -0.276 4.462 4.740 -0.002 0.000 0.249 101 N C -0.727 175.030 175.510 0.412 0.000 1.111 101 N CA 0.544 53.935 53.050 0.570 0.000 0.711 101 N CB -0.525 38.184 38.487 0.371 0.000 1.065 101 N HN 0.590 nan 8.380 nan 0.000 0.556 102 Q N 1.377 121.385 119.800 0.347 0.000 2.294 102 Q HA 0.284 4.622 4.340 -0.002 0.000 0.264 102 Q C -1.162 174.842 176.000 0.006 0.000 0.992 102 Q CA -0.610 55.279 55.803 0.143 0.000 0.747 102 Q CB 1.279 30.036 28.738 0.032 0.000 1.262 102 Q HN 0.276 nan 8.270 nan 0.000 0.452 103 E N 3.326 123.433 120.200 -0.155 0.000 2.265 103 E HA 0.157 4.505 4.350 -0.002 0.000 0.272 103 E C 0.154 176.484 176.600 -0.450 0.000 1.067 103 E CA 0.072 56.111 56.400 -0.602 0.000 0.900 103 E CB 0.673 29.996 29.700 -0.629 0.000 1.017 103 E HN 0.647 nan 8.360 nan 0.000 0.431 104 V N 2.089 121.747 119.914 -0.427 0.000 3.523 104 V HA 0.259 4.378 4.120 -0.002 0.000 0.255 104 V C 0.572 176.543 176.094 -0.204 0.000 1.226 104 V CA 0.353 62.462 62.300 -0.318 0.000 1.092 104 V CB -0.664 31.022 31.823 -0.229 0.000 0.817 104 V HN 0.714 nan 8.190 nan 0.000 0.458 105 M N -1.133 118.324 119.600 -0.239 0.000 2.790 105 M HA 0.713 5.191 4.480 -0.002 0.000 0.272 105 M C -1.537 174.611 176.300 -0.254 0.000 1.168 105 M CA -0.463 54.755 55.300 -0.137 0.000 0.829 105 M CB 2.567 35.207 32.600 0.066 0.000 1.675 105 M HN 0.042 nan 8.290 nan 0.000 0.505 106 E N 0.404 120.469 120.200 -0.225 0.000 2.366 106 E HA 0.599 4.947 4.350 -0.002 0.000 0.278 106 E C -2.147 174.205 176.600 -0.413 0.000 0.923 106 E CA -0.572 55.599 56.400 -0.381 0.000 0.761 106 E CB 2.532 32.095 29.700 -0.229 0.000 1.231 106 E HN 0.837 nan 8.360 nan 0.000 0.443 107 H N 1.618 120.164 119.070 -0.874 0.000 3.087 107 H HA 0.273 4.827 4.556 -0.002 0.000 0.348 107 H C -1.762 173.234 175.328 -0.553 0.000 1.092 107 H CA -0.477 55.067 56.048 -0.840 0.000 1.285 107 H CB 1.696 30.430 29.762 -1.714 0.000 1.875 107 H HN 0.282 nan 8.280 nan 0.000 0.512 108 Q N 3.174 122.519 119.800 -0.759 0.000 2.348 108 Q HA 0.633 4.972 4.340 -0.002 0.000 0.265 108 Q C -0.896 174.748 176.000 -0.593 0.000 0.998 108 Q CA 0.112 55.675 55.803 -0.400 0.000 0.831 108 Q CB 1.419 30.071 28.738 -0.144 0.000 1.251 108 Q HN 0.994 nan 8.270 nan 0.000 0.456 109 G N 1.388 110.046 108.800 -0.237 0.000 2.196 109 G HA2 0.314 4.273 3.960 -0.002 0.000 0.215 109 G HA3 0.314 4.273 3.960 -0.002 0.000 0.215 109 G C 0.030 175.026 174.900 0.161 0.000 1.640 109 G CA -0.237 44.892 45.100 0.048 0.000 0.946 109 G HN 0.665 nan 8.290 nan 0.000 0.710 110 G N -0.214 108.657 108.800 0.120 0.000 2.880 110 G HA2 0.333 4.291 3.960 -0.002 0.000 0.209 110 G HA3 0.333 4.291 3.960 -0.002 0.000 0.209 110 G C 0.583 175.142 174.900 -0.568 0.000 1.157 110 G CA 0.693 45.569 45.100 -0.372 0.000 0.779 110 G HN 0.654 nan 8.290 nan 0.000 0.539 111 Y N 0.437 120.880 120.300 0.237 0.000 2.767 111 Y HA 0.267 4.816 4.550 -0.002 0.000 0.254 111 Y C 0.702 176.746 175.900 0.239 0.000 1.133 111 Y CA -0.410 57.833 58.100 0.239 0.000 1.225 111 Y CB 0.430 39.062 38.460 0.287 0.000 1.312 111 Y HN 0.144 nan 8.280 nan 0.000 0.560 112 T N -2.522 112.242 114.554 0.349 0.000 2.896 112 T HA 0.606 4.955 4.350 -0.002 0.000 0.297 112 T C -3.265 171.547 174.700 0.187 0.000 1.108 112 T CA -2.758 59.505 62.100 0.270 0.000 1.004 112 T CB 2.716 71.750 68.868 0.276 0.000 1.159 112 T HN -0.348 nan 8.240 nan 0.000 0.499 113 P HA 0.482 nan 4.420 nan 0.000 0.275 113 P C -0.990 176.334 177.300 0.040 0.000 1.228 113 P CA -0.538 62.591 63.100 0.047 0.000 0.786 113 P CB 0.083 31.799 31.700 0.026 0.000 0.927 114 F N -0.701 119.130 119.950 -0.199 0.000 2.565 114 F HA 0.785 5.310 4.527 -0.003 0.000 0.313 114 F C -0.377 175.444 175.800 0.035 0.000 1.091 114 F CA -1.129 56.764 58.000 -0.178 0.000 0.915 114 F CB 2.179 40.935 39.000 -0.407 0.000 1.208 114 F HN 0.338 nan 8.300 nan 0.000 0.453 115 E N 2.102 122.375 120.200 0.122 0.000 2.408 115 E HA 0.838 5.186 4.350 -0.002 0.000 0.275 115 E C -2.045 174.617 176.600 0.102 0.000 0.935 115 E CA -1.579 54.872 56.400 0.084 0.000 0.775 115 E CB 2.326 32.089 29.700 0.105 0.000 1.277 115 E HN 1.069 nan 8.360 nan 0.000 0.455 116 A N 1.685 124.540 122.820 0.059 0.000 2.422 116 A HA 0.348 4.667 4.320 -0.002 0.000 0.302 116 A C -1.130 176.436 177.584 -0.029 0.000 1.041 116 A CA -0.820 51.234 52.037 0.029 0.000 0.708 116 A CB 1.660 20.681 19.000 0.034 0.000 1.257 116 A HN 0.697 nan 8.150 nan 0.000 0.414 117 D N 2.085 122.452 120.400 -0.054 0.000 2.434 117 D HA 0.171 4.810 4.640 -0.002 0.000 0.252 117 D C 0.953 177.279 176.300 0.043 0.000 1.185 117 D CA 0.611 54.553 54.000 -0.097 0.000 0.886 117 D CB 1.050 41.772 40.800 -0.129 0.000 1.148 117 D HN 0.635 nan 8.370 nan 0.000 0.483 118 V N 1.002 120.937 119.914 0.035 0.000 3.528 118 V HA 0.059 4.177 4.120 -0.002 0.000 0.294 118 V C 1.883 178.066 176.094 0.148 0.000 1.404 118 V CA 0.147 62.562 62.300 0.193 0.000 1.065 118 V CB -0.350 31.552 31.823 0.131 0.000 0.904 118 V HN 0.460 nan 8.190 nan 0.000 0.435 119 T N 2.201 116.758 114.554 0.004 0.000 2.592 119 T HA -0.163 4.186 4.350 -0.002 0.000 0.267 119 T C -0.072 174.576 174.700 -0.086 0.000 1.060 119 T CA 2.808 64.877 62.100 -0.052 0.000 1.167 119 T CB -1.578 67.225 68.868 -0.107 0.000 0.863 119 T HN 0.503 nan 8.240 nan 0.000 0.431 120 P HA -0.008 nan 4.420 nan 0.000 0.228 120 P C 0.269 177.255 177.300 -0.525 0.000 1.151 120 P CA 0.957 63.789 63.100 -0.448 0.000 0.770 120 P CB -0.185 31.083 31.700 -0.720 0.000 0.786 121 Y N -2.730 117.582 120.300 0.020 0.000 2.481 121 Y HA 0.345 4.894 4.550 -0.002 0.000 0.247 121 Y C 0.753 176.679 175.900 0.042 0.000 1.151 121 Y CA -0.247 57.875 58.100 0.037 0.000 1.238 121 Y CB 0.633 39.118 38.460 0.043 0.000 1.179 121 Y HN -0.278 nan 8.280 nan 0.000 0.524 122 V N 0.680 120.667 119.914 0.121 0.000 2.925 122 V HA 0.474 4.592 4.120 -0.002 0.000 0.311 122 V C -1.381 174.749 176.094 0.061 0.000 1.104 122 V CA -1.095 61.264 62.300 0.098 0.000 0.954 122 V CB 2.742 34.635 31.823 0.118 0.000 1.022 122 V HN -0.102 nan 8.190 nan 0.000 0.427 123 I N 4.116 124.716 120.570 0.050 0.000 2.378 123 I HA 0.663 4.832 4.170 -0.002 0.000 0.291 123 I C 0.625 176.774 176.117 0.053 0.000 0.992 123 I CA -0.010 61.316 61.300 0.044 0.000 1.154 123 I CB 1.681 39.698 38.000 0.029 0.000 1.315 123 I HN 0.748 nan 8.210 nan 0.000 0.448 124 A N 4.714 127.581 122.820 0.078 0.000 2.540 124 A HA 0.474 4.793 4.320 -0.002 0.000 0.239 124 A C 1.301 178.922 177.584 0.061 0.000 1.061 124 A CA 0.717 52.808 52.037 0.090 0.000 0.758 124 A CB -0.517 18.564 19.000 0.135 0.000 0.991 124 A HN 1.501 nan 8.150 nan 0.000 0.502 125 G N 1.361 110.195 108.800 0.057 0.000 2.176 125 G HA2 -0.184 3.775 3.960 -0.002 0.000 0.253 125 G HA3 -0.184 3.775 3.960 -0.002 0.000 0.253 125 G C 0.255 175.246 174.900 0.153 0.000 0.979 125 G CA 0.617 45.777 45.100 0.100 0.000 0.641 125 G HN 0.753 nan 8.290 nan 0.000 0.530 126 K N 0.306 120.734 120.400 0.046 0.000 2.281 126 K HA 0.653 4.972 4.320 -0.002 0.000 0.242 126 K C -0.372 176.020 176.600 -0.347 0.000 0.971 126 K CA -0.391 55.845 56.287 -0.085 0.000 0.834 126 K CB 1.809 34.277 32.500 -0.054 0.000 1.181 126 K HN 0.162 nan 8.250 nan 0.000 0.435 127 S N 1.068 116.382 115.700 -0.642 0.000 2.499 127 S HA 0.429 4.897 4.470 -0.002 0.000 0.279 127 S C -0.433 173.951 174.600 -0.359 0.000 1.219 127 S CA -0.710 56.988 58.200 -0.837 0.000 1.062 127 S CB 0.269 62.763 63.200 -1.177 0.000 0.978 127 S HN 0.337 nan 8.310 nan 0.000 0.489 128 V N 3.442 123.208 119.914 -0.247 0.000 2.769 128 V HA 0.691 4.810 4.120 -0.002 0.000 0.312 128 V C -0.199 175.859 176.094 -0.060 0.000 1.061 128 V CA -1.336 60.906 62.300 -0.095 0.000 0.931 128 V CB 1.508 33.320 31.823 -0.019 0.000 1.010 128 V HN 0.931 nan 8.190 nan 0.000 0.433 129 R N 2.669 123.175 120.500 0.010 0.000 2.297 129 R HA 0.727 5.066 4.340 -0.002 0.000 0.308 129 R C -1.199 175.186 176.300 0.143 0.000 1.029 129 R CA -0.524 55.608 56.100 0.054 0.000 0.929 129 R CB 0.974 31.318 30.300 0.074 0.000 1.046 129 R HN 0.874 nan 8.270 nan 0.000 0.461 130 I N 3.696 124.360 120.570 0.157 0.000 2.410 130 I HA 0.238 4.406 4.170 -0.002 0.000 0.286 130 I C -0.628 175.745 176.117 0.426 0.000 1.009 130 I CA -0.525 60.947 61.300 0.286 0.000 1.111 130 I CB 2.364 40.511 38.000 0.246 0.000 1.262 130 I HN 0.597 nan 8.210 nan 0.000 0.443 131 T N 5.735 120.622 114.554 0.556 0.000 2.792 131 T HA 0.504 4.853 4.350 -0.002 0.000 0.280 131 T C -0.267 174.879 174.700 0.743 0.000 0.990 131 T CA -0.482 62.036 62.100 0.696 0.000 0.960 131 T CB 1.725 71.043 68.868 0.749 0.000 0.939 131 T HN 0.142 nan 8.240 nan 0.000 0.439 132 V N 2.475 122.773 119.914 0.639 0.000 2.459 132 V HA 0.414 4.533 4.120 -0.002 0.000 0.295 132 V C 0.232 176.460 176.094 0.223 0.000 1.029 132 V CA -1.036 61.479 62.300 0.358 0.000 0.874 132 V CB 1.515 33.417 31.823 0.133 0.000 0.985 132 V HN 1.076 nan 8.190 nan 0.000 0.438 133 C N 6.725 125.996 119.300 -0.049 0.000 2.255 133 C HA 0.743 5.202 4.460 -0.002 0.000 0.326 133 C C -0.052 174.792 174.990 -0.244 0.000 1.258 133 C CA -0.187 58.488 59.018 -0.571 0.000 1.676 133 C CB -0.327 26.895 27.740 -0.864 0.000 2.314 133 C HN 0.720 nan 8.230 nan 0.000 0.509 134 V N 6.787 126.619 119.914 -0.137 0.000 2.435 134 V HA 0.438 4.556 4.120 -0.002 0.000 0.290 134 V C -0.099 176.061 176.094 0.109 0.000 1.030 134 V CA -0.342 61.971 62.300 0.023 0.000 0.881 134 V CB 1.706 33.615 31.823 0.144 0.000 0.983 134 V HN 0.899 nan 8.190 nan 0.000 0.445 135 N N 2.805 121.619 118.700 0.190 0.000 2.342 135 N HA 0.376 5.115 4.740 -0.002 0.000 0.293 135 N C 0.299 175.924 175.510 0.191 0.000 1.026 135 N CA -0.607 52.545 53.050 0.170 0.000 0.857 135 N CB 1.258 39.810 38.487 0.108 0.000 1.256 135 N HN 0.695 nan 8.380 nan 0.000 0.484 136 N N 1.931 120.745 118.700 0.189 0.000 2.273 136 N HA 0.085 4.824 4.740 -0.002 0.000 0.231 136 N C -0.890 174.691 175.510 0.117 0.000 1.134 136 N CA -0.110 53.089 53.050 0.249 0.000 0.856 136 N CB 0.076 38.728 38.487 0.275 0.000 1.068 136 N HN 0.573 nan 8.380 nan 0.000 0.510 137 E N 0.595 120.790 120.200 -0.008 0.000 2.301 137 E HA 0.399 4.748 4.350 -0.002 0.000 0.275 137 E C -0.503 175.960 176.600 -0.229 0.000 1.030 137 E CA -0.495 55.827 56.400 -0.130 0.000 0.852 137 E CB 1.641 31.262 29.700 -0.132 0.000 1.060 137 E HN 0.198 nan 8.360 nan 0.000 0.401 138 L N 2.696 123.741 121.223 -0.296 0.000 2.342 138 L HA 0.494 4.833 4.340 -0.002 0.000 0.271 138 L C -0.198 176.479 176.870 -0.321 0.000 1.008 138 L CA -0.877 53.747 54.840 -0.359 0.000 0.818 138 L CB 1.368 43.153 42.059 -0.458 0.000 1.296 138 L HN 0.640 nan 8.230 nan 0.000 0.427 139 N N -0.942 117.575 118.700 -0.304 0.000 3.316 139 N HA 0.243 4.982 4.740 -0.002 0.000 0.300 139 N C -0.354 174.980 175.510 -0.293 0.000 1.567 139 N CA -0.925 51.945 53.050 -0.299 0.000 0.821 139 N CB 0.279 38.684 38.487 -0.136 0.000 1.748 139 N HN 0.522 nan 8.380 nan 0.000 0.603 140 W N -0.979 120.281 121.300 -0.066 0.000 2.611 140 W HA 0.047 4.706 4.660 -0.003 0.000 0.251 140 W C 0.989 177.463 176.519 -0.075 0.000 1.265 140 W CA 0.383 57.681 57.345 -0.079 0.000 1.295 140 W CB 0.220 29.642 29.460 -0.063 0.000 1.129 140 W HN 0.519 nan 8.180 nan 0.000 0.630 141 Q N -1.371 118.506 119.800 0.129 0.000 2.247 141 Q HA 0.108 4.447 4.340 -0.002 0.000 0.211 141 Q C 0.866 176.893 176.000 0.045 0.000 0.861 141 Q CA 0.338 56.203 55.803 0.103 0.000 0.949 141 Q CB 0.524 29.310 28.738 0.081 0.000 1.115 141 Q HN -0.166 nan 8.270 nan 0.000 0.507 142 T N -0.026 114.509 114.554 -0.031 0.000 2.882 142 T HA 0.368 4.716 4.350 -0.002 0.000 0.287 142 T C -0.143 174.540 174.700 -0.028 0.000 1.014 142 T CA -0.356 61.706 62.100 -0.063 0.000 1.049 142 T CB 0.362 69.131 68.868 -0.165 0.000 1.001 142 T HN 0.067 nan 8.240 nan 0.000 0.525 143 I N 6.741 127.325 120.570 0.024 0.000 2.778 143 I HA 0.323 4.491 4.170 -0.002 0.000 0.285 143 I C -2.352 173.855 176.117 0.150 0.000 1.236 143 I CA -1.878 59.484 61.300 0.103 0.000 1.089 143 I CB 0.485 38.565 38.000 0.133 0.000 1.601 143 I HN 0.454 nan 8.210 nan 0.000 0.573 144 P HA 0.589 nan 4.420 nan 0.000 0.290 144 P C -2.977 174.248 177.300 -0.126 0.000 1.307 144 P CA -2.176 60.951 63.100 0.044 0.000 0.948 144 P CB 2.163 33.853 31.700 -0.017 0.000 1.312 145 P HA 0.448 nan 4.420 nan 0.000 0.278 145 P C -0.152 176.815 177.300 -0.555 0.000 1.258 145 P CA 0.184 63.035 63.100 -0.415 0.000 0.811 145 P CB 0.950 32.325 31.700 -0.541 0.000 1.063 146 G N -0.219 108.112 108.800 -0.781 0.000 2.488 146 G HA2 0.593 4.551 3.960 -0.002 0.000 0.301 146 G HA3 0.593 4.551 3.960 -0.002 0.000 0.301 146 G C -1.940 172.509 174.900 -0.752 0.000 1.339 146 G CA -0.765 43.803 45.100 -0.887 0.000 0.803 146 G HN 0.401 nan 8.290 nan 0.000 0.482 147 M N 1.197 120.495 119.600 -0.503 0.000 2.206 147 M HA 0.374 4.853 4.480 -0.002 0.000 0.272 147 M C -0.256 175.928 176.300 -0.192 0.000 1.012 147 M CA -0.832 54.303 55.300 -0.275 0.000 0.986 147 M CB 2.227 34.777 32.600 -0.083 0.000 1.740 147 M HN 0.690 nan 8.290 nan 0.000 0.472 148 V N 3.412 123.235 119.914 -0.153 0.000 2.530 148 V HA 0.551 4.669 4.120 -0.002 0.000 0.282 148 V C -0.671 175.381 176.094 -0.070 0.000 1.048 148 V CA -0.086 62.145 62.300 -0.116 0.000 0.997 148 V CB 0.797 32.550 31.823 -0.116 0.000 0.987 148 V HN 0.740 nan 8.190 nan 0.000 0.477 149 I N 5.952 126.487 120.570 -0.058 0.000 2.321 149 I HA 0.426 4.595 4.170 -0.002 0.000 0.291 149 I C 0.616 176.714 176.117 -0.031 0.000 0.998 149 I CA 0.065 61.345 61.300 -0.033 0.000 1.227 149 I CB 1.949 39.934 38.000 -0.025 0.000 1.368 149 I HN 0.910 nan 8.210 nan 0.000 0.466 150 T N 1.799 116.339 114.554 -0.023 0.000 2.767 150 T HA 0.478 4.827 4.350 -0.002 0.000 0.284 150 T C -0.224 174.471 174.700 -0.009 0.000 0.973 150 T CA -0.970 61.119 62.100 -0.018 0.000 0.996 150 T CB 0.915 69.772 68.868 -0.019 0.000 0.927 150 T HN 0.563 nan 8.240 nan 0.000 0.456 151 D N 2.238 122.635 120.400 -0.005 0.000 2.414 151 D HA 0.062 4.701 4.640 -0.002 0.000 0.259 151 D C 1.364 177.666 176.300 0.002 0.000 1.269 151 D CA -0.576 53.424 54.000 -0.000 0.000 1.028 151 D CB 0.390 41.192 40.800 0.003 0.000 1.093 151 D HN 0.765 nan 8.370 nan 0.000 0.545 152 E N -0.731 119.472 120.200 0.004 0.000 2.267 152 E HA -0.229 4.119 4.350 -0.002 0.000 0.197 152 E C 0.791 177.394 176.600 0.006 0.000 0.998 152 E CA 0.854 57.257 56.400 0.005 0.000 0.830 152 E CB -0.456 29.247 29.700 0.005 0.000 0.751 152 E HN 0.312 nan 8.360 nan 0.000 0.491 153 N N 0.442 119.147 118.700 0.008 0.000 2.398 153 N HA 0.028 4.767 4.740 -0.002 0.000 0.188 153 N C 1.009 176.525 175.510 0.011 0.000 1.122 153 N CA 0.898 53.954 53.050 0.011 0.000 0.866 153 N CB 1.099 39.595 38.487 0.015 0.000 0.970 153 N HN 0.461 nan 8.380 nan 0.000 0.462 154 G N 1.282 110.086 108.800 0.007 0.000 2.159 154 G HA2 -0.289 3.669 3.960 -0.002 0.000 0.256 154 G HA3 -0.289 3.669 3.960 -0.002 0.000 0.256 154 G C 0.135 175.037 174.900 0.004 0.000 0.977 154 G CA 0.075 45.178 45.100 0.004 0.000 0.652 154 G HN 0.359 nan 8.290 nan 0.000 0.531 155 K N 1.091 121.495 120.400 0.007 0.000 2.276 155 K HA 0.386 4.705 4.320 -0.002 0.000 0.285 155 K C 0.485 177.079 176.600 -0.010 0.000 1.062 155 K CA -0.478 55.814 56.287 0.008 0.000 0.918 155 K CB 0.322 32.837 32.500 0.024 0.000 1.055 155 K HN 0.280 nan 8.250 nan 0.000 0.477 156 K N 3.204 123.585 120.400 -0.032 0.000 2.202 156 K HA 0.169 4.488 4.320 -0.002 0.000 0.264 156 K C -0.380 176.187 176.600 -0.056 0.000 1.010 156 K CA -0.089 56.163 56.287 -0.058 0.000 0.940 156 K CB 0.864 33.306 32.500 -0.098 0.000 0.983 156 K HN 0.398 nan 8.250 nan 0.000 0.475 157 K N 2.104 122.470 120.400 -0.056 0.000 2.553 157 K HA 0.091 4.409 4.320 -0.002 0.000 0.250 157 K C -1.566 174.995 176.600 -0.066 0.000 0.953 157 K CA -0.668 55.591 56.287 -0.046 0.000 0.800 157 K CB 1.872 34.356 32.500 -0.026 0.000 1.243 157 K HN 0.376 nan 8.250 nan 0.000 0.435 158 Q N 2.140 121.900 119.800 -0.066 0.000 2.294 158 Q HA 0.253 4.592 4.340 -0.002 0.000 0.257 158 Q C -0.965 175.009 176.000 -0.044 0.000 0.955 158 Q CA -0.103 55.654 55.803 -0.077 0.000 0.936 158 Q CB 1.205 29.884 28.738 -0.099 0.000 1.188 158 Q HN 0.523 nan 8.270 nan 0.000 0.420 159 S N 4.035 119.661 115.700 -0.122 0.000 2.501 159 S HA 0.846 5.314 4.470 -0.002 0.000 0.301 159 S C -1.074 173.285 174.600 -0.402 0.000 1.096 159 S CA -0.545 57.514 58.200 -0.236 0.000 1.063 159 S CB 0.702 63.787 63.200 -0.192 0.000 1.042 159 S HN 0.636 nan 8.310 nan 0.000 0.494 160 Y N -0.937 118.916 120.300 -0.744 0.000 2.705 160 Y HA 0.731 5.280 4.550 -0.003 0.000 0.332 160 Y C -0.796 174.512 175.900 -0.986 0.000 1.221 160 Y CA -1.549 55.836 58.100 -1.193 0.000 1.059 160 Y CB 0.476 38.391 38.460 -0.909 0.000 1.298 160 Y HN 0.414 nan 8.280 nan 0.000 0.459 161 F N 0.287 120.132 119.950 -0.175 0.000 2.682 161 F HA 0.235 4.761 4.527 -0.003 0.000 0.308 161 F C 0.652 176.421 175.800 -0.050 0.000 1.093 161 F CA -0.794 57.130 58.000 -0.127 0.000 1.244 161 F CB -0.231 38.747 39.000 -0.037 0.000 1.052 161 F HN 0.562 nan 8.300 nan 0.000 0.573 162 H N -1.119 117.974 119.070 0.038 0.000 2.525 162 H HA 0.312 4.867 4.556 -0.003 0.000 0.340 162 H C -0.295 175.048 175.328 0.025 0.000 1.168 162 H CA -0.537 55.520 56.048 0.015 0.000 1.247 162 H CB 1.527 31.204 29.762 -0.142 0.000 1.568 162 H HN -0.052 nan 8.280 nan 0.000 0.536 163 D N 1.097 121.713 120.400 0.361 0.000 2.325 163 D HA 0.077 4.715 4.640 -0.002 0.000 0.234 163 D C -0.343 176.409 176.300 0.754 0.000 1.122 163 D CA -0.229 54.047 54.000 0.461 0.000 0.850 163 D CB -0.649 40.447 40.800 0.494 0.000 0.921 163 D HN 0.399 nan 8.370 nan 0.000 0.513 164 F N -1.845 118.505 119.950 0.667 0.000 2.579 164 F HA 0.502 5.027 4.527 -0.002 0.000 0.324 164 F C -0.443 175.673 175.800 0.526 0.000 1.058 164 F CA -1.964 56.383 58.000 0.580 0.000 0.944 164 F CB 0.467 39.649 39.000 0.304 0.000 1.245 164 F HN -0.255 nan 8.300 nan 0.000 0.477 165 F N 2.364 122.557 119.950 0.404 0.000 2.529 165 F HA 0.216 4.741 4.527 -0.003 0.000 0.365 165 F C 0.811 176.634 175.800 0.038 0.000 1.102 165 F CA -0.117 57.954 58.000 0.118 0.000 1.271 165 F CB 0.487 39.351 39.000 -0.226 0.000 1.120 165 F HN 0.684 nan 8.300 nan 0.000 0.579 166 N N 5.115 123.286 118.700 -0.881 0.000 3.103 166 N HA 0.011 4.749 4.740 -0.002 0.000 0.305 166 N C -1.316 173.954 175.510 -0.400 0.000 1.232 166 N CA -0.001 52.650 53.050 -0.665 0.000 1.190 166 N CB -0.737 37.084 38.487 -1.110 0.000 1.461 166 N HN 0.388 nan 8.380 nan 0.000 0.538 167 Y N 0.690 121.051 120.300 0.101 0.000 2.497 167 Y HA 0.342 4.891 4.550 -0.003 0.000 0.334 167 Y C 0.933 176.859 175.900 0.044 0.000 1.199 167 Y CA -0.144 58.065 58.100 0.181 0.000 1.425 167 Y CB 0.639 39.227 38.460 0.214 0.000 1.291 167 Y HN 0.360 nan 8.280 nan 0.000 0.562 168 A N 1.155 124.003 122.820 0.047 0.000 2.530 168 A HA 0.935 5.254 4.320 -0.002 0.000 0.288 168 A C 0.007 177.436 177.584 -0.257 0.000 1.172 168 A CA -0.167 51.769 52.037 -0.168 0.000 0.733 168 A CB 1.415 20.420 19.000 0.008 0.000 1.320 168 A HN 1.431 nan 8.150 nan 0.000 0.419 169 G N -1.316 107.382 108.800 -0.169 0.000 2.373 169 G HA2 0.209 4.168 3.960 -0.002 0.000 0.634 169 G HA3 0.209 4.168 3.960 -0.002 0.000 0.634 169 G C -0.762 173.871 174.900 -0.446 0.000 1.267 169 G CA -0.434 44.686 45.100 0.034 0.000 1.008 169 G HN 1.179 nan 8.290 nan 0.000 0.497 170 I N 1.428 121.738 120.570 -0.434 0.000 2.293 170 I HA 0.218 4.386 4.170 -0.002 0.000 0.299 170 I C 1.219 177.202 176.117 -0.224 0.000 1.153 170 I CA -0.121 60.921 61.300 -0.431 0.000 1.302 170 I CB 0.152 37.775 38.000 -0.627 0.000 1.460 170 I HN 0.615 nan 8.210 nan 0.000 0.552 171 H N 4.716 123.713 119.070 -0.122 0.000 2.548 171 H HA 0.213 4.768 4.556 -0.002 0.000 0.268 171 H C 0.662 175.979 175.328 -0.018 0.000 0.975 171 H CA 0.304 56.303 56.048 -0.082 0.000 1.195 171 H CB 0.445 30.147 29.762 -0.100 0.000 1.397 171 H HN 0.495 nan 8.280 nan 0.000 0.572 172 R N -0.572 119.979 120.500 0.085 0.000 2.869 172 R HA 0.302 4.641 4.340 -0.002 0.000 0.263 172 R C -0.550 175.754 176.300 0.007 0.000 1.066 172 R CA -0.862 55.279 56.100 0.069 0.000 0.960 172 R CB 1.712 32.039 30.300 0.045 0.000 1.221 172 R HN -0.067 nan 8.270 nan 0.000 0.474 173 S N 1.043 116.739 115.700 -0.008 0.000 2.593 173 S HA 0.042 4.510 4.470 -0.002 0.000 0.300 173 S C -0.096 174.448 174.600 -0.093 0.000 1.267 173 S CA -0.265 57.917 58.200 -0.030 0.000 1.065 173 S CB 0.226 63.399 63.200 -0.046 0.000 0.807 173 S HN 0.351 nan 8.310 nan 0.000 0.499 174 V N 5.089 124.935 119.914 -0.115 0.000 2.630 174 V HA 0.913 5.032 4.120 -0.002 0.000 0.305 174 V C -0.544 175.443 176.094 -0.178 0.000 1.046 174 V CA -0.909 61.204 62.300 -0.311 0.000 0.934 174 V CB 1.517 33.104 31.823 -0.394 0.000 1.003 174 V HN 0.959 nan 8.190 nan 0.000 0.451 175 M N 4.530 123.980 119.600 -0.250 0.000 2.682 175 M HA 0.638 5.117 4.480 -0.002 0.000 0.272 175 M C -2.596 173.707 176.300 0.005 0.000 1.232 175 M CA -0.814 54.454 55.300 -0.053 0.000 0.849 175 M CB 2.050 34.645 32.600 -0.009 0.000 1.695 175 M HN 0.584 nan 8.290 nan 0.000 0.481 176 L N 3.019 124.332 121.223 0.151 0.000 2.322 176 L HA 0.757 5.096 4.340 -0.002 0.000 0.281 176 L C -1.174 175.924 176.870 0.381 0.000 1.014 176 L CA -0.380 54.616 54.840 0.259 0.000 0.815 176 L CB 1.388 43.659 42.059 0.353 0.000 1.247 176 L HN 0.830 nan 8.230 nan 0.000 0.421 177 Y N 0.583 120.877 120.300 -0.010 0.000 2.625 177 Y HA 0.778 5.327 4.550 -0.002 0.000 0.338 177 Y C -0.911 174.724 175.900 -0.442 0.000 1.123 177 Y CA -0.871 57.126 58.100 -0.173 0.000 1.046 177 Y CB 1.681 40.088 38.460 -0.090 0.000 1.299 177 Y HN 0.428 nan 8.280 nan 0.000 0.464 178 T N 1.674 115.928 114.554 -0.499 0.000 2.887 178 T HA 0.645 4.994 4.350 -0.002 0.000 0.288 178 T C -1.215 173.263 174.700 -0.370 0.000 1.021 178 T CA -0.434 61.250 62.100 -0.694 0.000 1.000 178 T CB 1.717 70.002 68.868 -0.971 0.000 1.034 178 T HN 0.833 nan 8.240 nan 0.000 0.467 179 T N 2.797 117.121 114.554 -0.384 0.000 2.868 179 T HA 0.607 4.956 4.350 -0.002 0.000 0.306 179 T C -2.819 171.783 174.700 -0.162 0.000 1.224 179 T CA -1.663 60.321 62.100 -0.193 0.000 1.012 179 T CB 1.733 70.502 68.868 -0.164 0.000 1.221 179 T HN 0.245 nan 8.240 nan 0.000 0.499 180 P HA 0.274 nan 4.420 nan 0.000 0.272 180 P C 0.011 177.347 177.300 0.060 0.000 1.240 180 P CA -0.062 63.037 63.100 -0.000 0.000 0.791 180 P CB 0.507 32.231 31.700 0.040 0.000 0.978 181 N N -1.600 117.135 118.700 0.059 0.000 2.453 181 N HA -0.050 4.689 4.740 -0.002 0.000 0.183 181 N C 0.210 175.882 175.510 0.270 0.000 1.041 181 N CA 0.965 54.092 53.050 0.127 0.000 0.900 181 N CB -0.267 38.252 38.487 0.054 0.000 0.961 181 N HN 0.354 nan 8.380 nan 0.000 0.443 182 T N 1.790 116.455 114.554 0.185 0.000 2.767 182 T HA 0.284 4.633 4.350 -0.002 0.000 0.288 182 T C -1.030 173.801 174.700 0.219 0.000 0.963 182 T CA -0.566 61.608 62.100 0.124 0.000 1.019 182 T CB 0.370 69.251 68.868 0.023 0.000 0.923 182 T HN 0.229 nan 8.240 nan 0.000 0.468 183 W N 2.292 123.553 121.300 -0.066 0.000 3.439 183 W HA 0.528 5.186 4.660 -0.003 0.000 0.323 183 W C -1.540 174.926 176.519 -0.088 0.000 1.174 183 W CA -1.341 55.968 57.345 -0.061 0.000 1.224 183 W CB -0.280 29.142 29.460 -0.063 0.000 1.348 183 W HN 0.151 nan 8.180 nan 0.000 0.498 184 V N 4.376 124.292 119.914 0.003 0.000 2.529 184 V HA -0.049 4.070 4.120 -0.002 0.000 0.292 184 V C 0.932 176.985 176.094 -0.069 0.000 1.028 184 V CA 1.124 63.337 62.300 -0.144 0.000 1.074 184 V CB 0.616 32.394 31.823 -0.075 0.000 0.958 184 V HN 0.661 nan 8.190 nan 0.000 0.481 185 D N 1.710 121.939 120.400 -0.285 0.000 2.539 185 D HA 0.157 4.796 4.640 -0.002 0.000 0.232 185 D C -0.198 176.032 176.300 -0.117 0.000 1.256 185 D CA -0.134 53.828 54.000 -0.064 0.000 0.810 185 D CB 0.804 41.734 40.800 0.217 0.000 1.090 185 D HN 0.493 nan 8.370 nan 0.000 0.519 186 D N 0.120 120.388 120.400 -0.219 0.000 2.977 186 D HA 0.463 5.102 4.640 -0.002 0.000 0.220 186 D C -1.211 174.961 176.300 -0.215 0.000 1.267 186 D CA -0.349 53.592 54.000 -0.097 0.000 0.884 186 D CB 1.949 42.817 40.800 0.112 0.000 1.667 186 D HN 0.042 nan 8.370 nan 0.000 0.536 187 I N 1.287 121.821 120.570 -0.059 0.000 2.608 187 I HA 0.483 4.652 4.170 -0.002 0.000 0.295 187 I C -0.362 175.897 176.117 0.237 0.000 1.049 187 I CA -0.607 60.693 61.300 -0.000 0.000 1.063 187 I CB 2.634 40.601 38.000 -0.055 0.000 1.248 187 I HN 0.122 nan 8.210 nan 0.000 0.424 188 T N 4.467 119.255 114.554 0.390 0.000 2.890 188 T HA 0.470 4.818 4.350 -0.002 0.000 0.295 188 T C -0.655 174.162 174.700 0.196 0.000 0.993 188 T CA -0.423 61.870 62.100 0.320 0.000 0.979 188 T CB 1.636 70.722 68.868 0.364 0.000 0.967 188 T HN 0.190 nan 8.240 nan 0.000 0.441 189 V N 4.256 124.221 119.914 0.086 0.000 2.459 189 V HA 0.619 4.737 4.120 -0.002 0.000 0.295 189 V C -0.187 175.890 176.094 -0.027 0.000 1.029 189 V CA -0.686 61.633 62.300 0.032 0.000 0.874 189 V CB 1.810 33.636 31.823 0.005 0.000 0.985 189 V HN 0.688 nan 8.190 nan 0.000 0.438 190 V N 3.296 123.173 119.914 -0.061 0.000 2.555 190 V HA 0.551 4.670 4.120 -0.002 0.000 0.302 190 V C 0.084 175.994 176.094 -0.305 0.000 1.038 190 V CA -0.402 61.783 62.300 -0.191 0.000 0.887 190 V CB 2.177 33.879 31.823 -0.201 0.000 0.991 190 V HN 0.874 nan 8.190 nan 0.000 0.434 191 T N 3.252 117.562 114.554 -0.408 0.000 2.792 191 T HA 0.579 4.928 4.350 -0.002 0.000 0.280 191 T C -0.831 173.557 174.700 -0.520 0.000 0.990 191 T CA -0.299 61.597 62.100 -0.339 0.000 0.960 191 T CB 0.385 69.137 68.868 -0.193 0.000 0.939 191 T HN 0.781 nan 8.240 nan 0.000 0.439 192 H N 0.452 119.386 119.070 -0.226 0.000 2.529 192 H HA 0.749 5.304 4.556 -0.002 0.000 0.348 192 H C -0.278 174.849 175.328 -0.335 0.000 1.152 192 H CA -0.801 55.008 56.048 -0.398 0.000 1.202 192 H CB 1.766 31.076 29.762 -0.753 0.000 1.562 192 H HN 0.445 nan 8.280 nan 0.000 0.515 193 V N 0.018 119.964 119.914 0.054 0.000 2.888 193 V HA 0.868 4.987 4.120 -0.002 0.000 0.309 193 V C -1.277 175.235 176.094 0.696 0.000 1.114 193 V CA -0.730 61.803 62.300 0.389 0.000 0.940 193 V CB 1.818 33.774 31.823 0.223 0.000 1.021 193 V HN 0.981 nan 8.190 nan 0.000 0.426 194 A N 3.636 126.779 122.820 0.539 0.000 2.763 194 A HA 0.727 5.045 4.320 -0.002 0.000 0.325 194 A C 0.133 177.757 177.584 0.066 0.000 1.209 194 A CA -0.265 51.908 52.037 0.227 0.000 0.764 194 A CB 0.680 19.704 19.000 0.040 0.000 1.120 194 A HN 1.464 nan 8.150 nan 0.000 0.463 195 Q N 1.307 121.103 119.800 -0.006 0.000 2.480 195 Q HA -0.194 4.145 4.340 -0.002 0.000 0.265 195 Q C -0.099 175.961 176.000 0.101 0.000 1.072 195 Q CA 1.704 57.520 55.803 0.021 0.000 1.018 195 Q CB -1.909 26.801 28.738 -0.047 0.000 1.433 195 Q HN 0.967 nan 8.270 nan 0.000 0.513 196 D N -3.638 116.867 120.400 0.176 0.000 2.835 196 D HA -0.225 4.413 4.640 -0.002 0.000 0.230 196 D C 0.473 176.834 176.300 0.102 0.000 1.130 196 D CA 1.105 55.202 54.000 0.160 0.000 0.738 196 D CB -1.791 39.104 40.800 0.159 0.000 1.090 196 D HN 0.673 nan 8.370 nan 0.000 0.433 197 C N -1.699 117.646 119.300 0.076 0.000 3.637 197 C HA 0.384 4.843 4.460 -0.002 0.000 0.439 197 C C 0.698 175.709 174.990 0.036 0.000 1.443 197 C CA -0.362 58.684 59.018 0.046 0.000 2.037 197 C CB -0.163 27.589 27.740 0.020 0.000 2.957 197 C HN 0.399 nan 8.230 nan 0.000 0.669 198 N N -0.009 118.714 118.700 0.038 0.000 2.431 198 N HA 0.583 5.321 4.740 -0.002 0.000 0.275 198 N C -1.264 174.300 175.510 0.090 0.000 1.091 198 N CA 0.036 53.093 53.050 0.011 0.000 0.922 198 N CB 1.131 39.565 38.487 -0.089 0.000 1.666 198 N HN 0.383 nan 8.380 nan 0.000 0.484 199 H N 0.459 119.548 119.070 0.031 0.000 2.917 199 H HA 0.739 5.293 4.556 -0.003 0.000 0.269 199 H C -1.456 173.885 175.328 0.022 0.000 1.488 199 H CA -0.169 55.903 56.048 0.041 0.000 1.173 199 H CB 1.186 31.002 29.762 0.090 0.000 1.868 199 H HN 0.634 nan 8.280 nan 0.000 0.600 200 A N 0.623 123.770 122.820 0.544 0.000 2.317 200 A HA 0.615 4.934 4.320 -0.002 0.000 0.327 200 A C -0.801 176.867 177.584 0.140 0.000 1.178 200 A CA -0.370 51.826 52.037 0.266 0.000 0.817 200 A CB 0.609 19.768 19.000 0.266 0.000 1.189 200 A HN 0.448 nan 8.150 nan 0.000 0.489 201 S N 1.517 117.264 115.700 0.079 0.000 2.669 201 S HA 0.465 4.933 4.470 -0.002 0.000 0.315 201 S C -0.012 174.622 174.600 0.058 0.000 1.106 201 S CA -0.574 57.642 58.200 0.027 0.000 1.107 201 S CB 0.851 64.026 63.200 -0.041 0.000 0.990 201 S HN 1.430 nan 8.310 nan 0.000 0.471 202 V N 0.850 120.823 119.914 0.098 0.000 2.775 202 V HA 0.610 4.729 4.120 -0.002 0.000 0.299 202 V C -0.287 175.854 176.094 0.078 0.000 1.062 202 V CA -0.438 61.925 62.300 0.104 0.000 1.063 202 V CB 1.062 32.978 31.823 0.155 0.000 0.994 202 V HN 0.879 nan 8.190 nan 0.000 0.483 203 D N 3.373 123.828 120.400 0.091 0.000 2.527 203 D HA 0.388 5.027 4.640 -0.002 0.000 0.233 203 D C -1.448 174.965 176.300 0.188 0.000 1.063 203 D CA -0.440 53.625 54.000 0.108 0.000 0.880 203 D CB 2.330 43.160 40.800 0.052 0.000 1.457 203 D HN 0.889 nan 8.370 nan 0.000 0.475 204 W N 1.845 123.135 121.300 -0.016 0.000 2.900 204 W HA 0.386 5.044 4.660 -0.003 0.000 0.336 204 W C -1.827 174.674 176.519 -0.030 0.000 1.064 204 W CA -0.647 56.687 57.345 -0.019 0.000 1.237 204 W CB 1.881 31.333 29.460 -0.014 0.000 1.391 204 W HN 0.414 nan 8.180 nan 0.000 0.468 205 Q N 4.640 123.955 119.800 -0.808 0.000 2.323 205 Q HA 0.632 4.971 4.340 -0.002 0.000 0.271 205 Q C -2.239 173.199 176.000 -0.937 0.000 1.048 205 Q CA -0.679 54.675 55.803 -0.747 0.000 0.792 205 Q CB 2.265 30.789 28.738 -0.356 0.000 1.280 205 Q HN 0.359 nan 8.270 nan 0.000 0.441 206 V N 4.584 123.971 119.914 -0.878 0.000 2.334 206 V HA 0.538 4.657 4.120 -0.002 0.000 0.281 206 V C -0.795 174.991 176.094 -0.512 0.000 1.016 206 V CA -0.687 61.231 62.300 -0.637 0.000 0.832 206 V CB 1.656 33.157 31.823 -0.538 0.000 0.999 206 V HN 0.687 nan 8.190 nan 0.000 0.439 207 V N 4.849 124.492 119.914 -0.453 0.000 2.326 207 V HA 0.515 4.634 4.120 -0.002 0.000 0.281 207 V C 0.705 176.480 176.094 -0.531 0.000 1.015 207 V CA -0.772 61.253 62.300 -0.459 0.000 0.823 207 V CB 1.605 33.244 31.823 -0.307 0.000 1.009 207 V HN 0.965 nan 8.190 nan 0.000 0.436 208 A N 4.207 126.504 122.820 -0.871 0.000 2.540 208 A HA 0.125 4.444 4.320 -0.002 0.000 0.264 208 A C 0.986 178.264 177.584 -0.510 0.000 1.080 208 A CA 0.714 52.230 52.037 -0.867 0.000 0.776 208 A CB -1.027 17.002 19.000 -1.620 0.000 1.011 208 A HN 1.132 nan 8.150 nan 0.000 0.514 209 N N 0.320 118.844 118.700 -0.293 0.000 2.707 209 N HA -0.177 4.561 4.740 -0.002 0.000 0.253 209 N C 0.222 175.646 175.510 -0.144 0.000 0.998 209 N CA 1.059 54.008 53.050 -0.169 0.000 0.751 209 N CB -0.535 37.894 38.487 -0.096 0.000 0.920 209 N HN 1.161 nan 8.380 nan 0.000 0.539 210 G N -0.195 108.503 108.800 -0.171 0.000 2.706 210 G HA2 0.352 4.311 3.960 -0.002 0.000 0.297 210 G HA3 0.352 4.311 3.960 -0.002 0.000 0.297 210 G C -1.366 173.460 174.900 -0.122 0.000 1.403 210 G CA -0.699 44.325 45.100 -0.128 0.000 0.954 210 G HN 0.099 nan 8.290 nan 0.000 0.500 211 D N 0.247 120.594 120.400 -0.087 0.000 2.345 211 D HA 0.339 4.978 4.640 -0.002 0.000 0.247 211 D C 0.279 176.532 176.300 -0.078 0.000 1.108 211 D CA 0.122 54.074 54.000 -0.079 0.000 0.894 211 D CB 2.514 43.281 40.800 -0.055 0.000 1.203 211 D HN 0.386 nan 8.370 nan 0.000 0.430 212 V N -0.237 119.627 119.914 -0.083 0.000 2.769 212 V HA 0.720 4.838 4.120 -0.002 0.000 0.312 212 V C -0.639 175.424 176.094 -0.053 0.000 1.061 212 V CA -0.348 61.906 62.300 -0.077 0.000 0.931 212 V CB 2.057 33.813 31.823 -0.112 0.000 1.010 212 V HN 0.526 nan 8.190 nan 0.000 0.433 213 S N 3.629 119.307 115.700 -0.037 0.000 2.599 213 S HA 0.884 5.352 4.470 -0.002 0.000 0.287 213 S C -1.501 173.091 174.600 -0.014 0.000 1.105 213 S CA -0.480 57.706 58.200 -0.023 0.000 0.899 213 S CB 1.999 65.190 63.200 -0.015 0.000 1.100 213 S HN 1.181 nan 8.310 nan 0.000 0.482 214 V N 3.223 123.132 119.914 -0.007 0.000 2.638 214 V HA 0.608 4.727 4.120 -0.002 0.000 0.306 214 V C -1.159 174.940 176.094 0.009 0.000 1.052 214 V CA -0.571 61.730 62.300 0.002 0.000 0.885 214 V CB 1.836 33.658 31.823 -0.002 0.000 0.999 214 V HN 0.974 nan 8.190 nan 0.000 0.424 215 E N 4.804 125.014 120.200 0.018 0.000 2.292 215 E HA 0.666 5.015 4.350 -0.002 0.000 0.272 215 E C -1.749 174.872 176.600 0.036 0.000 0.881 215 E CA -1.002 55.412 56.400 0.023 0.000 0.754 215 E CB 2.947 32.661 29.700 0.023 0.000 1.201 215 E HN 0.381 nan 8.360 nan 0.000 0.425 216 L N 2.445 123.693 121.223 0.042 0.000 2.305 216 L HA 0.486 4.825 4.340 -0.002 0.000 0.284 216 L C -0.743 176.199 176.870 0.120 0.000 1.013 216 L CA -0.268 54.614 54.840 0.070 0.000 0.819 216 L CB 1.101 43.174 42.059 0.023 0.000 1.227 216 L HN 0.571 nan 8.230 nan 0.000 0.417 217 R N 2.726 123.317 120.500 0.153 0.000 2.711 217 R HA 0.433 4.772 4.340 -0.002 0.000 0.284 217 R C -0.892 175.517 176.300 0.181 0.000 0.968 217 R CA -1.054 55.130 56.100 0.140 0.000 0.924 217 R CB 1.425 31.766 30.300 0.067 0.000 1.162 217 R HN 0.563 nan 8.270 nan 0.000 0.465 218 D N 0.524 120.996 120.400 0.120 0.000 2.369 218 D HA 0.058 4.697 4.640 -0.002 0.000 0.241 218 D C 1.071 177.331 176.300 -0.067 0.000 1.271 218 D CA 0.214 54.233 54.000 0.031 0.000 0.942 218 D CB 0.706 41.558 40.800 0.086 0.000 1.129 218 D HN 0.616 nan 8.370 nan 0.000 0.476 219 A N 0.622 123.372 122.820 -0.116 0.000 2.019 219 A HA -0.164 4.154 4.320 -0.002 0.000 0.219 219 A C 0.895 178.455 177.584 -0.041 0.000 1.164 219 A CA 1.740 53.674 52.037 -0.171 0.000 0.644 219 A CB -0.393 18.506 19.000 -0.168 0.000 0.805 219 A HN 0.608 nan 8.150 nan 0.000 0.449 220 D N -1.806 118.613 120.400 0.031 0.000 2.615 220 D HA 0.219 4.857 4.640 -0.002 0.000 0.236 220 D C 0.058 176.370 176.300 0.021 0.000 1.233 220 D CA -0.275 53.740 54.000 0.024 0.000 0.829 220 D CB -0.092 40.734 40.800 0.044 0.000 1.024 220 D HN 0.223 nan 8.370 nan 0.000 0.490 221 Q N -0.058 119.748 119.800 0.011 0.000 2.475 221 Q HA -0.224 4.114 4.340 -0.002 0.000 0.280 221 Q C -0.728 175.288 176.000 0.027 0.000 1.234 221 Q CA 0.894 56.704 55.803 0.012 0.000 0.873 221 Q CB -2.133 26.606 28.738 0.001 0.000 1.256 221 Q HN 0.843 nan 8.270 nan 0.000 0.475 222 Q N -1.964 117.862 119.800 0.044 0.000 2.353 222 Q HA 0.639 4.978 4.340 -0.002 0.000 0.268 222 Q C -0.216 175.821 176.000 0.061 0.000 1.045 222 Q CA -0.906 54.924 55.803 0.045 0.000 0.811 222 Q CB 1.970 30.733 28.738 0.042 0.000 1.305 222 Q HN -0.003 nan 8.270 nan 0.000 0.447 223 V N 3.489 123.432 119.914 0.049 0.000 2.450 223 V HA -0.039 4.079 4.120 -0.002 0.000 0.281 223 V C 0.569 176.695 176.094 0.054 0.000 1.019 223 V CA 0.164 62.495 62.300 0.051 0.000 1.062 223 V CB 1.021 32.864 31.823 0.034 0.000 0.979 223 V HN 0.825 nan 8.190 nan 0.000 0.477 224 V N 4.529 124.484 119.914 0.069 0.000 3.605 224 V HA 0.707 4.825 4.120 -0.002 0.000 0.284 224 V C 0.569 176.680 176.094 0.028 0.000 1.386 224 V CA 1.004 63.340 62.300 0.060 0.000 1.053 224 V CB 0.429 32.320 31.823 0.113 0.000 0.857 224 V HN 1.000 nan 8.190 nan 0.000 0.436 225 A N -0.584 122.250 122.820 0.024 0.000 2.590 225 A HA 0.705 5.024 4.320 -0.002 0.000 0.294 225 A C -0.386 177.204 177.584 0.011 0.000 1.046 225 A CA 0.192 52.234 52.037 0.008 0.000 0.684 225 A CB 1.315 20.309 19.000 -0.010 0.000 1.279 225 A HN 0.365 nan 8.150 nan 0.000 0.415 226 T N -1.132 113.427 114.554 0.007 0.000 2.883 226 T HA 0.928 5.277 4.350 -0.002 0.000 0.296 226 T C -0.112 174.591 174.700 0.004 0.000 1.117 226 T CA -0.386 61.718 62.100 0.007 0.000 1.006 226 T CB 1.947 70.819 68.868 0.007 0.000 1.191 226 T HN 2.257 nan 8.240 nan 0.000 0.508 227 G N 0.371 109.172 108.800 0.002 0.000 2.768 227 G HA2 0.572 4.531 3.960 -0.002 0.000 0.297 227 G HA3 0.572 4.531 3.960 -0.002 0.000 0.297 227 G C -1.951 172.945 174.900 -0.007 0.000 1.430 227 G CA -0.771 44.329 45.100 -0.001 0.000 1.030 227 G HN 0.687 nan 8.290 nan 0.000 0.553 228 Q N -0.628 119.167 119.800 -0.009 0.000 2.496 228 Q HA 0.804 5.142 4.340 -0.002 0.000 0.286 228 Q C 0.294 176.285 176.000 -0.016 0.000 1.103 228 Q CA 0.213 56.006 55.803 -0.016 0.000 0.813 228 Q CB 2.357 31.087 28.738 -0.014 0.000 1.444 228 Q HN 1.971 nan 8.270 nan 0.000 0.443 229 G N -0.059 108.727 108.800 -0.023 0.000 2.754 229 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.215 229 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.215 229 G C 0.479 175.357 174.900 -0.036 0.000 1.121 229 G CA 0.053 45.141 45.100 -0.020 0.000 0.954 229 G HN 0.521 nan 8.290 nan 0.000 0.511 230 T N 0.073 114.596 114.554 -0.052 0.000 2.802 230 T HA -0.142 4.206 4.350 -0.002 0.000 0.269 230 T C 2.586 177.215 174.700 -0.118 0.000 1.062 230 T CA 2.692 64.744 62.100 -0.079 0.000 1.133 230 T CB -0.004 68.818 68.868 -0.076 0.000 0.852 230 T HN 0.588 nan 8.240 nan 0.000 0.485 231 S N -0.507 115.132 115.700 -0.103 0.000 2.384 231 S HA 0.282 4.750 4.470 -0.002 0.000 0.217 231 S C 1.210 175.780 174.600 -0.050 0.000 1.041 231 S CA 0.351 58.472 58.200 -0.132 0.000 0.948 231 S CB 0.189 63.328 63.200 -0.101 0.000 0.872 231 S HN 0.530 nan 8.310 nan 0.000 0.512 232 G N 2.270 111.081 108.800 0.017 0.000 2.744 232 G HA2 0.504 4.462 3.960 -0.002 0.000 0.309 232 G HA3 0.504 4.462 3.960 -0.002 0.000 0.309 232 G C -0.715 174.211 174.900 0.043 0.000 1.328 232 G CA -0.407 44.738 45.100 0.074 0.000 1.034 232 G HN 0.285 nan 8.290 nan 0.000 0.518 233 T N 0.706 115.286 114.554 0.043 0.000 2.937 233 T HA 0.597 4.946 4.350 -0.002 0.000 0.297 233 T C -0.663 174.061 174.700 0.039 0.000 0.991 233 T CA -0.683 61.434 62.100 0.028 0.000 0.990 233 T CB 1.345 70.221 68.868 0.012 0.000 0.991 233 T HN 0.264 nan 8.240 nan 0.000 0.440 234 L N 3.109 124.355 121.223 0.037 0.000 2.272 234 L HA 0.534 4.873 4.340 -0.002 0.000 0.289 234 L C -0.311 176.580 176.870 0.034 0.000 1.032 234 L CA -0.707 54.160 54.840 0.045 0.000 0.810 234 L CB 1.618 43.703 42.059 0.044 0.000 1.205 234 L HN 0.680 nan 8.230 nan 0.000 0.422 235 Q N 2.441 122.260 119.800 0.033 0.000 2.271 235 Q HA 0.490 4.828 4.340 -0.002 0.000 0.258 235 Q C -0.935 175.081 176.000 0.027 0.000 0.936 235 Q CA -0.292 55.520 55.803 0.015 0.000 0.909 235 Q CB 2.277 31.008 28.738 -0.011 0.000 1.253 235 Q HN 0.334 nan 8.270 nan 0.000 0.440 236 V N 2.899 122.826 119.914 0.021 0.000 2.532 236 V HA 0.772 4.890 4.120 -0.002 0.000 0.295 236 V C -0.349 175.743 176.094 -0.003 0.000 1.041 236 V CA -0.661 61.656 62.300 0.029 0.000 0.926 236 V CB 1.726 33.562 31.823 0.022 0.000 0.992 236 V HN 0.540 nan 8.190 nan 0.000 0.457 237 V N 2.323 122.235 119.914 -0.004 0.000 3.087 237 V HA 0.391 4.510 4.120 -0.002 0.000 0.306 237 V C -0.567 175.520 176.094 -0.011 0.000 1.187 237 V CA -0.938 61.341 62.300 -0.035 0.000 0.999 237 V CB 2.311 34.061 31.823 -0.121 0.000 1.049 237 V HN 0.865 nan 8.190 nan 0.000 0.431 238 N N 3.599 122.293 118.700 -0.010 0.000 3.083 238 N HA 0.429 5.167 4.740 -0.002 0.000 0.260 238 N C -2.387 173.133 175.510 0.016 0.000 1.163 238 N CA -1.205 51.849 53.050 0.007 0.000 1.060 238 N CB 0.562 39.052 38.487 0.005 0.000 1.345 238 N HN 0.508 nan 8.380 nan 0.000 0.515 239 P HA 0.144 nan 4.420 nan 0.000 0.282 239 P C -0.941 176.477 177.300 0.197 0.000 1.249 239 P CA -0.128 63.043 63.100 0.117 0.000 0.806 239 P CB 0.665 32.424 31.700 0.098 0.000 0.984 240 H N 1.376 120.597 119.070 0.252 0.000 2.934 240 H HA 0.234 4.789 4.556 -0.002 0.000 0.273 240 H C 0.213 175.678 175.328 0.228 0.000 1.121 240 H CA -0.777 55.240 56.048 -0.051 0.000 1.451 240 H CB -0.075 29.154 29.762 -0.889 0.000 1.469 240 H HN 0.203 nan 8.280 nan 0.000 0.476 241 L N 2.975 124.364 121.223 0.276 0.000 2.453 241 L HA -0.039 4.299 4.340 -0.002 0.000 0.272 241 L C 0.306 177.370 176.870 0.324 0.000 1.182 241 L CA -0.125 54.888 54.840 0.287 0.000 0.858 241 L CB 0.554 42.723 42.059 0.185 0.000 1.120 241 L HN 0.649 nan 8.230 nan 0.000 0.474 242 W N 4.971 126.379 121.300 0.180 0.000 2.446 242 W HA 0.138 4.798 4.660 -0.001 0.000 0.316 242 W C -0.313 176.235 176.519 0.048 0.000 1.376 242 W CA -0.101 57.319 57.345 0.125 0.000 1.300 242 W CB 0.265 29.778 29.460 0.089 0.000 1.351 242 W HN 0.440 nan 8.180 nan 0.000 0.530 243 Q N 7.237 126.869 119.800 -0.280 0.000 2.356 243 Q HA 0.151 4.490 4.340 -0.002 0.000 0.270 243 Q C -1.678 173.976 176.000 -0.577 0.000 1.058 243 Q CA -1.858 53.796 55.803 -0.248 0.000 0.802 243 Q CB 2.312 30.994 28.738 -0.092 0.000 1.303 243 Q HN 0.236 nan 8.270 nan 0.000 0.444 244 P HA -0.297 nan 4.420 nan 0.000 0.222 244 P C 1.159 178.392 177.300 -0.111 0.000 1.159 244 P CA 2.299 65.305 63.100 -0.156 0.000 0.920 244 P CB 0.083 31.864 31.700 0.135 0.000 0.793 245 G N -1.027 107.608 108.800 -0.275 0.000 2.446 245 G HA2 -0.234 3.724 3.960 -0.002 0.000 0.217 245 G HA3 -0.234 3.724 3.960 -0.002 0.000 0.217 245 G C 1.442 176.094 174.900 -0.413 0.000 1.168 245 G CA 0.982 45.675 45.100 -0.679 0.000 0.771 245 G HN 0.281 nan 8.290 nan 0.000 0.551 246 E N -1.009 118.948 120.200 -0.405 0.000 2.444 246 E HA 0.171 4.520 4.350 -0.002 0.000 0.209 246 E C 1.349 177.687 176.600 -0.438 0.000 0.806 246 E CA 0.529 56.726 56.400 -0.339 0.000 1.240 246 E CB 0.449 29.998 29.700 -0.251 0.000 1.238 246 E HN 0.396 nan 8.360 nan 0.000 0.591 247 G N 2.987 111.338 108.800 -0.747 0.000 2.367 247 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.295 247 G HA3 -0.321 3.638 3.960 -0.002 0.000 0.295 247 G C -0.349 174.285 174.900 -0.443 0.000 1.019 247 G CA 0.554 44.929 45.100 -1.209 0.000 1.224 247 G HN 0.279 nan 8.290 nan 0.000 0.510 248 Y N 0.234 120.353 120.300 -0.301 0.000 2.632 248 Y HA 0.445 4.994 4.550 -0.003 0.000 0.329 248 Y C 0.418 176.363 175.900 0.076 0.000 1.174 248 Y CA -0.280 57.757 58.100 -0.105 0.000 1.469 248 Y CB 0.426 38.847 38.460 -0.066 0.000 1.242 248 Y HN 0.336 nan 8.280 nan 0.000 0.540 249 L N 7.824 128.709 121.223 -0.563 0.000 2.305 249 L HA 0.347 4.686 4.340 -0.002 0.000 0.284 249 L C -0.875 175.706 176.870 -0.482 0.000 1.013 249 L CA -0.421 54.258 54.840 -0.270 0.000 0.819 249 L CB 0.776 42.779 42.059 -0.092 0.000 1.227 249 L HN 0.577 nan 8.230 nan 0.000 0.417 250 Y N 1.239 121.464 120.300 -0.125 0.000 2.295 250 Y HA 0.366 4.914 4.550 -0.002 0.000 0.331 250 Y C 0.573 176.446 175.900 -0.044 0.000 1.311 250 Y CA -0.109 57.964 58.100 -0.045 0.000 1.430 250 Y CB 0.823 39.320 38.460 0.061 0.000 1.339 250 Y HN 0.492 nan 8.280 nan 0.000 0.552 251 E N 1.810 122.104 120.200 0.156 0.000 2.224 251 E HA 0.371 4.719 4.350 -0.002 0.000 0.265 251 E C -2.100 174.552 176.600 0.087 0.000 0.878 251 E CA -0.962 55.485 56.400 0.078 0.000 0.759 251 E CB 1.517 31.226 29.700 0.016 0.000 1.164 251 E HN 0.544 nan 8.360 nan 0.000 0.414 252 L N 5.474 126.739 121.223 0.070 0.000 2.265 252 L HA 0.399 4.738 4.340 -0.002 0.000 0.289 252 L C -1.168 175.740 176.870 0.062 0.000 1.033 252 L CA -0.370 54.507 54.840 0.062 0.000 0.814 252 L CB 1.112 43.205 42.059 0.057 0.000 1.203 252 L HN 0.669 nan 8.230 nan 0.000 0.423 253 C N 5.858 125.187 119.300 0.049 0.000 2.285 253 C HA 0.686 5.145 4.460 -0.002 0.000 0.335 253 C C -0.107 174.914 174.990 0.053 0.000 1.267 253 C CA -0.556 58.491 59.018 0.048 0.000 1.762 253 C CB 0.101 27.858 27.740 0.028 0.000 2.365 253 C HN 0.631 nan 8.230 nan 0.000 0.527 254 V N 6.592 126.556 119.914 0.084 0.000 2.398 254 V HA 0.497 4.616 4.120 -0.002 0.000 0.286 254 V C 0.286 176.411 176.094 0.052 0.000 1.026 254 V CA -0.139 62.195 62.300 0.057 0.000 0.868 254 V CB 1.862 33.718 31.823 0.055 0.000 0.982 254 V HN 0.935 nan 8.190 nan 0.000 0.443 255 T N 3.919 118.481 114.554 0.013 0.000 2.786 255 T HA 0.671 5.019 4.350 -0.002 0.000 0.283 255 T C -0.047 174.640 174.700 -0.021 0.000 0.992 255 T CA -0.334 61.770 62.100 0.008 0.000 0.954 255 T CB 1.585 70.454 68.868 0.003 0.000 0.934 255 T HN 0.873 nan 8.240 nan 0.000 0.440 256 A N 3.754 126.564 122.820 -0.017 0.000 2.273 256 A HA 0.577 4.896 4.320 -0.002 0.000 0.320 256 A C -0.015 177.551 177.584 -0.030 0.000 1.358 256 A CA -0.745 51.263 52.037 -0.048 0.000 0.910 256 A CB 0.249 19.209 19.000 -0.066 0.000 1.159 256 A HN 0.740 nan 8.150 nan 0.000 0.526 257 K N 1.902 122.280 120.400 -0.037 0.000 2.240 257 K HA 0.464 4.783 4.320 -0.002 0.000 0.271 257 K C 0.085 176.667 176.600 -0.031 0.000 1.018 257 K CA -0.103 56.169 56.287 -0.025 0.000 0.874 257 K CB 1.537 34.024 32.500 -0.021 0.000 1.098 257 K HN 0.614 nan 8.250 nan 0.000 0.458 258 S N 1.522 117.210 115.700 -0.020 0.000 2.707 258 S HA 0.081 4.549 4.470 -0.002 0.000 0.276 258 S C 1.115 175.707 174.600 -0.013 0.000 1.179 258 S CA -0.462 57.726 58.200 -0.019 0.000 0.992 258 S CB 1.216 64.411 63.200 -0.009 0.000 1.030 258 S HN 0.642 nan 8.310 nan 0.000 0.554 259 Q N -0.124 119.669 119.800 -0.012 0.000 2.170 259 Q HA -0.066 4.273 4.340 -0.002 0.000 0.203 259 Q C 1.167 177.164 176.000 -0.004 0.000 0.976 259 Q CA 1.823 57.620 55.803 -0.009 0.000 0.858 259 Q CB 0.024 28.757 28.738 -0.008 0.000 0.907 259 Q HN 0.685 nan 8.270 nan 0.000 0.433 260 T N -1.259 113.294 114.554 -0.002 0.000 2.975 260 T HA 0.174 4.523 4.350 -0.002 0.000 0.257 260 T C -0.204 174.498 174.700 0.004 0.000 1.003 260 T CA -0.127 61.974 62.100 0.001 0.000 0.932 260 T CB 0.643 69.513 68.868 0.002 0.000 1.087 260 T HN 0.060 nan 8.240 nan 0.000 0.512 261 E N 0.076 120.278 120.200 0.004 0.000 2.238 261 E HA 0.567 4.915 4.350 -0.002 0.000 0.267 261 E C -1.545 175.060 176.600 0.009 0.000 0.887 261 E CA -0.626 55.780 56.400 0.010 0.000 0.769 261 E CB 1.862 31.572 29.700 0.017 0.000 1.187 261 E HN 0.110 nan 8.360 nan 0.000 0.416 262 C N 2.676 121.984 119.300 0.015 0.000 2.456 262 C HA 0.591 5.049 4.460 -0.002 0.000 0.325 262 C C -1.214 173.794 174.990 0.031 0.000 1.217 262 C CA -0.289 58.739 59.018 0.016 0.000 1.687 262 C CB 0.972 28.720 27.740 0.014 0.000 2.270 262 C HN 0.813 nan 8.230 nan 0.000 0.499 263 D N 3.095 123.518 120.400 0.038 0.000 2.879 263 D HA 0.574 5.213 4.640 -0.002 0.000 0.236 263 D C -1.219 175.122 176.300 0.067 0.000 1.171 263 D CA -0.305 53.735 54.000 0.066 0.000 0.868 263 D CB 1.111 41.974 40.800 0.105 0.000 1.598 263 D HN 0.328 nan 8.370 nan 0.000 0.497 264 I N 3.953 124.570 120.570 0.079 0.000 2.410 264 I HA 0.257 4.426 4.170 -0.002 0.000 0.286 264 I C -1.263 174.921 176.117 0.112 0.000 1.009 264 I CA -0.676 60.668 61.300 0.073 0.000 1.111 264 I CB 1.147 39.166 38.000 0.032 0.000 1.262 264 I HN 0.482 nan 8.210 nan 0.000 0.443 265 Y N 9.199 129.505 120.300 0.010 0.000 2.326 265 Y HA 0.507 5.055 4.550 -0.003 0.000 0.331 265 Y C -2.398 173.504 175.900 0.003 0.000 0.962 265 Y CA -2.035 56.072 58.100 0.012 0.000 1.167 265 Y CB 2.180 40.650 38.460 0.017 0.000 1.148 265 Y HN 0.334 nan 8.280 nan 0.000 0.463 266 P HA 0.241 nan 4.420 nan 0.000 0.293 266 P C -1.444 175.801 177.300 -0.092 0.000 1.300 266 P CA -0.379 62.650 63.100 -0.118 0.000 0.792 266 P CB 1.916 33.520 31.700 -0.161 0.000 0.925 267 L N 4.816 126.095 121.223 0.093 0.000 2.349 267 L HA 0.465 4.804 4.340 -0.002 0.000 0.278 267 L C 0.142 177.047 176.870 0.059 0.000 0.996 267 L CA -0.737 54.181 54.840 0.131 0.000 0.825 267 L CB 1.323 43.504 42.059 0.204 0.000 1.243 267 L HN 0.235 nan 8.230 nan 0.000 0.412 268 R N 4.270 124.790 120.500 0.033 0.000 2.543 268 R HA 0.535 4.874 4.340 -0.002 0.000 0.277 268 R C -1.095 175.227 176.300 0.038 0.000 1.074 268 R CA -0.614 55.504 56.100 0.029 0.000 1.076 268 R CB 0.722 31.035 30.300 0.023 0.000 0.993 268 R HN 0.472 nan 8.270 nan 0.000 0.459 269 V N 1.168 121.124 119.914 0.070 0.000 2.686 269 V HA 0.451 4.570 4.120 -0.002 0.000 0.306 269 V C 0.211 176.391 176.094 0.143 0.000 1.065 269 V CA -0.907 61.434 62.300 0.068 0.000 0.894 269 V CB 2.188 34.054 31.823 0.072 0.000 1.004 269 V HN 0.973 nan 8.190 nan 0.000 0.424 270 G N 4.100 112.933 108.800 0.055 0.000 2.368 270 G HA2 0.668 4.626 3.960 -0.002 0.000 0.320 270 G HA3 0.668 4.626 3.960 -0.002 0.000 0.320 270 G C -0.550 174.424 174.900 0.124 0.000 1.158 270 G CA -0.578 44.630 45.100 0.180 0.000 0.912 270 G HN 0.673 nan 8.290 nan 0.000 0.456 271 I N 2.683 123.421 120.570 0.281 0.000 2.329 271 I HA 0.299 4.468 4.170 -0.002 0.000 0.295 271 I C 0.332 176.539 176.117 0.151 0.000 1.109 271 I CA -0.289 61.099 61.300 0.146 0.000 1.297 271 I CB 0.142 38.220 38.000 0.130 0.000 1.433 271 I HN 0.611 nan 8.210 nan 0.000 0.509 272 R N 3.791 124.305 120.500 0.023 0.000 2.643 272 R HA 0.604 4.943 4.340 -0.002 0.000 0.269 272 R C -1.132 175.100 176.300 -0.114 0.000 1.037 272 R CA -0.831 55.270 56.100 0.001 0.000 0.894 272 R CB 1.194 31.541 30.300 0.078 0.000 1.238 272 R HN 0.391 nan 8.270 nan 0.000 0.459 273 S N 0.775 116.382 115.700 -0.156 0.000 2.509 273 S HA 0.758 5.227 4.470 -0.002 0.000 0.297 273 S C -0.463 174.026 174.600 -0.185 0.000 1.118 273 S CA -0.748 57.335 58.200 -0.195 0.000 1.074 273 S CB 1.854 64.907 63.200 -0.244 0.000 1.038 273 S HN 0.419 nan 8.310 nan 0.000 0.498 274 V N 1.742 121.554 119.914 -0.169 0.000 2.495 274 V HA 0.905 5.024 4.120 -0.002 0.000 0.298 274 V C 0.024 175.975 176.094 -0.238 0.000 1.031 274 V CA -0.222 61.965 62.300 -0.188 0.000 0.871 274 V CB 1.119 32.859 31.823 -0.138 0.000 0.988 274 V HN 1.342 nan 8.190 nan 0.000 0.432 275 A N 4.006 126.618 122.820 -0.346 0.000 2.566 275 A HA 0.785 5.104 4.320 -0.002 0.000 0.297 275 A C -1.332 176.006 177.584 -0.411 0.000 1.059 275 A CA -0.487 51.376 52.037 -0.289 0.000 0.691 275 A CB 1.816 20.750 19.000 -0.109 0.000 1.282 275 A HN 0.576 nan 8.150 nan 0.000 0.401 276 V N 2.526 122.247 119.914 -0.322 0.000 2.465 276 V HA 0.444 4.563 4.120 -0.002 0.000 0.279 276 V C 0.271 176.316 176.094 -0.083 0.000 1.045 276 V CA -0.216 61.955 62.300 -0.214 0.000 0.938 276 V CB 1.422 33.164 31.823 -0.135 0.000 0.986 276 V HN 0.751 nan 8.190 nan 0.000 0.467 277 K N 3.661 124.042 120.400 -0.030 0.000 2.535 277 K HA 0.539 4.857 4.320 -0.002 0.000 0.253 277 K C 0.736 177.353 176.600 0.029 0.000 0.953 277 K CA 0.468 56.759 56.287 0.006 0.000 0.863 277 K CB 1.311 33.823 32.500 0.020 0.000 1.111 277 K HN 0.916 nan 8.250 nan 0.000 0.431 278 G N 3.758 112.576 108.800 0.030 0.000 2.634 278 G HA2 -0.358 3.601 3.960 -0.002 0.000 0.318 278 G HA3 -0.358 3.601 3.960 -0.002 0.000 0.318 278 G C 0.477 175.421 174.900 0.072 0.000 1.207 278 G CA 0.476 45.605 45.100 0.048 0.000 0.987 278 G HN 0.737 nan 8.290 nan 0.000 0.547 279 E N 1.544 121.794 120.200 0.083 0.000 2.437 279 E HA 0.177 4.525 4.350 -0.002 0.000 0.189 279 E C 0.830 177.493 176.600 0.106 0.000 1.054 279 E CA 0.052 56.509 56.400 0.095 0.000 0.874 279 E CB 0.186 29.945 29.700 0.098 0.000 1.011 279 E HN 0.532 nan 8.360 nan 0.000 0.474 280 Q N -0.031 119.834 119.800 0.107 0.000 2.301 280 Q HA 0.395 4.733 4.340 -0.002 0.000 0.267 280 Q C -1.114 174.995 176.000 0.182 0.000 1.035 280 Q CA -0.681 55.212 55.803 0.151 0.000 0.856 280 Q CB 1.926 30.741 28.738 0.127 0.000 1.337 280 Q HN 0.062 nan 8.270 nan 0.000 0.450 281 F N 2.472 122.502 119.950 0.133 0.000 2.347 281 F HA 0.413 4.939 4.527 -0.002 0.000 0.366 281 F C -1.315 174.581 175.800 0.161 0.000 1.107 281 F CA -0.690 57.410 58.000 0.167 0.000 1.058 281 F CB 0.556 39.734 39.000 0.298 0.000 1.236 281 F HN 0.315 nan 8.300 nan 0.000 0.456 282 L N 7.157 128.397 121.223 0.028 0.000 2.295 282 L HA 0.559 4.898 4.340 -0.002 0.000 0.285 282 L C -0.579 176.307 176.870 0.028 0.000 1.035 282 L CA -0.669 54.222 54.840 0.085 0.000 0.806 282 L CB 1.727 43.812 42.059 0.043 0.000 1.214 282 L HN 0.476 nan 8.230 nan 0.000 0.426 283 I N 2.633 123.245 120.570 0.070 0.000 2.466 283 I HA 0.244 4.412 4.170 -0.002 0.000 0.289 283 I C -0.100 175.989 176.117 -0.047 0.000 1.026 283 I CA -0.673 60.618 61.300 -0.015 0.000 1.078 283 I CB 1.668 39.627 38.000 -0.069 0.000 1.249 283 I HN 0.708 nan 8.210 nan 0.000 0.429 284 N N 6.249 124.849 118.700 -0.167 0.000 2.708 284 N HA -0.237 4.501 4.740 -0.002 0.000 0.251 284 N C -0.053 175.361 175.510 -0.159 0.000 1.017 284 N CA 0.490 53.393 53.050 -0.245 0.000 0.742 284 N CB -0.885 37.587 38.487 -0.025 0.000 0.943 284 N HN 0.764 nan 8.380 nan 0.000 0.539 285 H N -4.168 114.938 119.070 0.060 0.000 3.080 285 H HA -0.163 4.392 4.556 -0.003 0.000 0.254 285 H C -0.358 175.013 175.328 0.071 0.000 1.179 285 H CA 1.512 57.593 56.048 0.056 0.000 1.144 285 H CB -1.664 28.131 29.762 0.054 0.000 1.261 285 H HN 0.567 nan 8.280 nan 0.000 0.333 286 K N 1.119 121.609 120.400 0.150 0.000 2.259 286 K HA 0.463 4.781 4.320 -0.002 0.000 0.252 286 K C -2.709 173.998 176.600 0.179 0.000 0.936 286 K CA -1.944 54.436 56.287 0.154 0.000 0.810 286 K CB 1.750 34.341 32.500 0.151 0.000 1.143 286 K HN -0.173 nan 8.250 nan 0.000 0.427 287 P HA -0.022 nan 4.420 nan 0.000 0.267 287 P C -1.193 176.266 177.300 0.265 0.000 1.205 287 P CA 0.049 63.274 63.100 0.209 0.000 0.765 287 P CB 0.248 32.039 31.700 0.152 0.000 0.828 288 F N 4.261 124.279 119.950 0.114 0.000 2.523 288 F HA 0.569 5.096 4.527 0.000 0.000 0.329 288 F C -1.125 174.687 175.800 0.020 0.000 1.061 288 F CA -1.095 56.898 58.000 -0.012 0.000 0.967 288 F CB 1.243 40.157 39.000 -0.143 0.000 1.218 288 F HN 0.216 nan 8.300 nan 0.000 0.480 289 Y N 5.043 124.716 120.300 -1.045 0.000 2.326 289 Y HA 0.464 5.016 4.550 0.002 0.000 0.329 289 Y C -1.356 173.834 175.900 -1.183 0.000 0.973 289 Y CA -1.118 56.534 58.100 -0.746 0.000 1.162 289 Y CB 0.706 38.878 38.460 -0.480 0.000 1.147 289 Y HN 0.462 nan 8.280 nan 0.000 0.456 290 F N 3.816 123.106 119.950 -1.100 0.000 2.484 290 F HA 0.346 4.871 4.527 -0.003 0.000 0.360 290 F C 0.867 176.244 175.800 -0.706 0.000 1.101 290 F CA 0.111 57.657 58.000 -0.756 0.000 1.251 290 F CB 0.949 39.640 39.000 -0.515 0.000 1.132 290 F HN 0.459 nan 8.300 nan 0.000 0.570 291 T N 0.060 114.324 114.554 -0.483 0.000 2.907 291 T HA 0.905 5.254 4.350 -0.002 0.000 0.292 291 T C -0.136 174.073 174.700 -0.820 0.000 1.043 291 T CA -0.222 61.411 62.100 -0.777 0.000 1.003 291 T CB 1.881 69.905 68.868 -1.406 0.000 1.084 291 T HN 1.191 nan 8.240 nan 0.000 0.483 292 G N 0.873 109.037 108.800 -1.060 0.000 2.236 292 G HA2 0.284 4.242 3.960 -0.002 0.000 0.231 292 G HA3 0.284 4.242 3.960 -0.002 0.000 0.231 292 G C -1.768 172.846 174.900 -0.476 0.000 1.334 292 G CA -0.866 43.687 45.100 -0.912 0.000 1.137 292 G HN 0.782 nan 8.290 nan 0.000 0.482 293 F N 0.973 121.015 119.950 0.152 0.000 2.556 293 F HA 0.676 5.202 4.527 -0.002 0.000 0.327 293 F C 1.032 176.931 175.800 0.165 0.000 1.059 293 F CA -0.021 58.100 58.000 0.201 0.000 0.953 293 F CB 2.103 41.229 39.000 0.209 0.000 1.227 293 F HN 0.757 nan 8.300 nan 0.000 0.478 294 G N 1.635 110.673 108.800 0.397 0.000 2.370 294 G HA2 0.559 4.517 3.960 -0.002 0.000 0.272 294 G HA3 0.559 4.517 3.960 -0.002 0.000 0.272 294 G C -0.422 174.433 174.900 -0.076 0.000 1.208 294 G CA -0.575 44.697 45.100 0.286 0.000 0.856 294 G HN 0.568 nan 8.290 nan 0.000 0.500 295 R N 0.552 120.980 120.500 -0.120 0.000 2.875 295 R HA 0.569 4.908 4.340 -0.002 0.000 0.251 295 R C -0.776 175.270 176.300 -0.424 0.000 1.123 295 R CA -0.944 55.009 56.100 -0.245 0.000 1.064 295 R CB 1.499 31.695 30.300 -0.173 0.000 1.205 295 R HN 0.522 nan 8.270 nan 0.000 0.503 296 H N 0.435 119.319 119.070 -0.311 0.000 2.834 296 H HA 0.246 4.801 4.556 -0.002 0.000 0.369 296 H C -0.858 174.261 175.328 -0.349 0.000 1.174 296 H CA -0.702 55.144 56.048 -0.336 0.000 1.165 296 H CB 2.044 31.498 29.762 -0.512 0.000 1.820 296 H HN 0.467 nan 8.280 nan 0.000 0.558 297 E N 1.860 122.006 120.200 -0.089 0.000 2.028 297 E HA 0.192 4.541 4.350 -0.002 0.000 0.266 297 E C -0.814 175.684 176.600 -0.170 0.000 0.962 297 E CA -0.234 56.027 56.400 -0.232 0.000 0.784 297 E CB 0.959 30.492 29.700 -0.279 0.000 1.114 297 E HN 0.349 nan 8.360 nan 0.000 0.414 298 D N 1.956 122.269 120.400 -0.144 0.000 2.769 298 D HA 0.514 5.153 4.640 -0.002 0.000 0.219 298 D C -1.801 174.443 176.300 -0.093 0.000 1.245 298 D CA -0.366 53.582 54.000 -0.086 0.000 0.801 298 D CB 2.004 42.851 40.800 0.078 0.000 1.598 298 D HN 0.415 nan 8.370 nan 0.000 0.485 299 A N 2.576 125.319 122.820 -0.129 0.000 2.567 299 A HA 0.392 4.711 4.320 -0.002 0.000 0.291 299 A C -1.413 176.090 177.584 -0.135 0.000 1.048 299 A CA -0.776 51.187 52.037 -0.123 0.000 0.661 299 A CB 1.135 20.034 19.000 -0.167 0.000 1.288 299 A HN 0.440 nan 8.150 nan 0.000 0.424 300 D N 1.266 121.602 120.400 -0.108 0.000 2.493 300 D HA 0.370 5.008 4.640 -0.002 0.000 0.240 300 D C 1.221 177.439 176.300 -0.137 0.000 1.142 300 D CA 1.278 55.216 54.000 -0.103 0.000 0.872 300 D CB 0.475 41.223 40.800 -0.087 0.000 1.173 300 D HN 0.836 nan 8.370 nan 0.000 0.467 301 L N 0.168 121.309 121.223 -0.138 0.000 4.235 301 L HA -0.322 4.017 4.340 -0.002 0.000 0.385 301 L C 0.793 177.534 176.870 -0.214 0.000 0.733 301 L CA 1.354 56.100 54.840 -0.156 0.000 2.629 301 L CB -1.248 40.731 42.059 -0.133 0.000 1.001 301 L HN 0.518 nan 8.230 nan 0.000 0.662 302 R N 1.308 121.659 120.500 -0.248 0.000 2.265 302 R HA 0.589 4.927 4.340 -0.002 0.000 0.328 302 R C 1.075 177.061 176.300 -0.522 0.000 0.969 302 R CA -0.055 55.858 56.100 -0.313 0.000 0.832 302 R CB 1.366 31.515 30.300 -0.253 0.000 1.139 302 R HN 0.032 nan 8.270 nan 0.000 0.457 303 G N 2.596 110.904 108.800 -0.821 0.000 2.422 303 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.218 303 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.218 303 G C 0.749 174.914 174.900 -1.224 0.000 1.146 303 G CA 0.485 44.368 45.100 -2.028 0.000 0.769 303 G HN 0.678 nan 8.290 nan 0.000 0.547 304 K N -1.009 118.927 120.400 -0.773 0.000 2.582 304 K HA 0.115 4.434 4.320 -0.002 0.000 0.191 304 K C 0.843 177.142 176.600 -0.501 0.000 1.593 304 K CA -0.008 55.881 56.287 -0.663 0.000 1.040 304 K CB 0.744 32.699 32.500 -0.909 0.000 1.374 304 K HN 0.225 nan 8.250 nan 0.000 0.608 305 G N 1.757 110.358 108.800 -0.331 0.000 2.353 305 G HA2 0.042 4.001 3.960 -0.002 0.000 0.239 305 G HA3 0.042 4.001 3.960 -0.002 0.000 0.239 305 G C -0.256 174.597 174.900 -0.078 0.000 1.295 305 G CA -0.020 45.020 45.100 -0.101 0.000 0.884 305 G HN 0.130 nan 8.290 nan 0.000 0.537 306 F N 1.390 121.286 119.950 -0.089 0.000 2.496 306 F HA 0.421 4.946 4.527 -0.003 0.000 0.344 306 F C 0.244 176.001 175.800 -0.071 0.000 1.155 306 F CA -0.091 57.863 58.000 -0.077 0.000 1.302 306 F CB 1.299 40.282 39.000 -0.028 0.000 1.159 306 F HN 0.495 nan 8.300 nan 0.000 0.595 307 D N 3.059 122.618 120.400 -1.401 0.000 2.886 307 D HA 0.231 4.869 4.640 -0.002 0.000 0.216 307 D C -0.227 175.397 176.300 -1.126 0.000 1.256 307 D CA -0.531 52.905 54.000 -0.939 0.000 0.844 307 D CB 1.053 41.574 40.800 -0.464 0.000 1.669 307 D HN 0.375 nan 8.370 nan 0.000 0.513 308 N N 1.458 119.812 118.700 -0.577 0.000 2.250 308 N HA -0.045 4.693 4.740 -0.002 0.000 0.181 308 N C 1.676 177.092 175.510 -0.157 0.000 1.017 308 N CA 0.670 53.581 53.050 -0.233 0.000 0.866 308 N CB 0.104 38.602 38.487 0.018 0.000 0.985 308 N HN 0.271 nan 8.380 nan 0.000 0.429 309 V N 1.629 121.449 119.914 -0.158 0.000 2.261 309 V HA -0.178 3.940 4.120 -0.002 0.000 0.246 309 V C 2.417 178.431 176.094 -0.134 0.000 1.047 309 V CA 1.054 63.291 62.300 -0.104 0.000 1.015 309 V CB -0.537 31.224 31.823 -0.104 0.000 0.642 309 V HN 0.177 nan 8.190 nan 0.000 0.446 310 L N -0.501 120.592 121.223 -0.217 0.000 2.081 310 L HA -0.236 4.102 4.340 -0.002 0.000 0.212 310 L C 2.330 179.065 176.870 -0.226 0.000 1.080 310 L CA 2.402 57.109 54.840 -0.222 0.000 0.754 310 L CB -0.508 41.385 42.059 -0.277 0.000 0.893 310 L HN 0.362 nan 8.230 nan 0.000 0.433 311 M N -2.120 117.321 119.600 -0.266 0.000 2.123 311 M HA -0.161 4.317 4.480 -0.002 0.000 0.263 311 M C 2.075 178.183 176.300 -0.321 0.000 1.069 311 M CA 1.844 56.998 55.300 -0.244 0.000 1.133 311 M CB -0.105 32.422 32.600 -0.120 0.000 1.356 311 M HN 0.108 nan 8.290 nan 0.000 0.415 312 V N 0.375 120.149 119.914 -0.233 0.000 2.252 312 V HA -0.357 3.762 4.120 -0.002 0.000 0.249 312 V C 2.615 178.625 176.094 -0.139 0.000 1.056 312 V CA 2.367 64.563 62.300 -0.175 0.000 1.022 312 V CB -1.286 30.580 31.823 0.071 0.000 0.641 312 V HN 0.615 nan 8.190 nan 0.000 0.445 313 H N -0.011 118.953 119.070 -0.177 0.000 2.293 313 H HA -0.176 4.379 4.556 -0.002 0.000 0.300 313 H C 2.210 177.404 175.328 -0.223 0.000 1.082 313 H CA 2.153 58.099 56.048 -0.169 0.000 1.308 313 H CB -0.085 29.577 29.762 -0.167 0.000 1.375 313 H HN 0.425 nan 8.280 nan 0.000 0.495 314 D N -0.412 119.860 120.400 -0.215 0.000 2.178 314 D HA -0.130 4.509 4.640 -0.002 0.000 0.201 314 D C 2.194 178.155 176.300 -0.565 0.000 0.980 314 D CA 0.889 54.645 54.000 -0.407 0.000 0.842 314 D CB -0.395 40.010 40.800 -0.658 0.000 0.948 314 D HN 0.563 nan 8.370 nan 0.000 0.472 315 H N -0.014 118.742 119.070 -0.523 0.000 2.395 315 H HA 0.122 4.677 4.556 -0.003 0.000 0.299 315 H C 2.050 177.264 175.328 -0.191 0.000 1.070 315 H CA 1.073 56.838 56.048 -0.473 0.000 1.356 315 H CB 0.089 29.301 29.762 -0.917 0.000 1.401 315 H HN 0.087 nan 8.280 nan 0.000 0.524 316 A N 1.406 124.178 122.820 -0.080 0.000 1.908 316 A HA -0.133 4.186 4.320 -0.002 0.000 0.218 316 A C 2.653 180.243 177.584 0.010 0.000 1.181 316 A CA 1.032 53.052 52.037 -0.029 0.000 0.627 316 A CB -0.875 18.041 19.000 -0.139 0.000 0.818 316 A HN 0.251 nan 8.150 nan 0.000 0.445 317 L N -1.431 119.716 121.223 -0.126 0.000 2.017 317 L HA -0.226 4.113 4.340 -0.002 0.000 0.208 317 L C 2.919 180.017 176.870 0.380 0.000 1.073 317 L CA 1.778 56.639 54.840 0.035 0.000 0.745 317 L CB -0.507 41.368 42.059 -0.307 0.000 0.894 317 L HN 0.421 nan 8.230 nan 0.000 0.432 318 M N -0.673 119.063 119.600 0.226 0.000 2.175 318 M HA -0.220 4.258 4.480 -0.002 0.000 0.264 318 M C 1.827 178.340 176.300 0.355 0.000 1.063 318 M CA 1.678 57.189 55.300 0.353 0.000 1.119 318 M CB -0.375 32.262 32.600 0.062 0.000 1.377 318 M HN 0.212 nan 8.290 nan 0.000 0.415 319 D N -0.516 120.052 120.400 0.279 0.000 2.084 319 D HA -0.214 4.425 4.640 -0.002 0.000 0.196 319 D C 1.602 178.086 176.300 0.306 0.000 0.985 319 D CA 1.394 55.559 54.000 0.275 0.000 0.826 319 D CB -0.205 40.742 40.800 0.246 0.000 0.978 319 D HN 0.432 nan 8.370 nan 0.000 0.456 320 W N 0.942 122.340 121.300 0.164 0.000 2.321 320 W HA -0.137 4.524 4.660 0.003 0.000 0.306 320 W C 1.925 178.582 176.519 0.229 0.000 1.217 320 W CA 1.256 58.702 57.345 0.168 0.000 1.257 320 W CB -0.498 29.040 29.460 0.130 0.000 1.145 320 W HN 0.077 nan 8.180 nan 0.000 0.509 321 I N 0.559 121.255 120.570 0.211 0.000 3.111 321 I HA 0.078 4.247 4.170 -0.002 0.000 0.272 321 I C 1.771 178.003 176.117 0.191 0.000 1.268 321 I CA 1.385 62.672 61.300 -0.023 0.000 1.467 321 I CB -0.646 37.669 38.000 0.524 0.000 1.087 321 I HN 0.331 nan 8.210 nan 0.000 0.467 322 G N 0.924 109.864 108.800 0.232 0.000 2.132 322 G HA2 -0.234 3.724 3.960 -0.002 0.000 0.234 322 G HA3 -0.234 3.724 3.960 -0.002 0.000 0.234 322 G C 0.403 175.389 174.900 0.143 0.000 0.989 322 G CA 0.017 45.258 45.100 0.235 0.000 0.676 322 G HN 0.694 nan 8.290 nan 0.000 0.522 323 A N 0.301 123.196 122.820 0.125 0.000 2.492 323 A HA 0.538 4.857 4.320 -0.002 0.000 0.254 323 A C 1.173 178.724 177.584 -0.056 0.000 1.091 323 A CA 0.894 52.793 52.037 -0.232 0.000 0.768 323 A CB 0.136 19.162 19.000 0.044 0.000 1.028 323 A HN 1.214 nan 8.150 nan 0.000 0.498 324 N N 0.432 119.026 118.700 -0.176 0.000 2.236 324 N HA 0.115 4.853 4.740 -0.002 0.000 0.196 324 N C -0.093 175.478 175.510 0.102 0.000 1.114 324 N CA 0.511 53.586 53.050 0.043 0.000 0.859 324 N CB 0.300 38.749 38.487 -0.064 0.000 0.982 324 N HN 0.688 nan 8.380 nan 0.000 0.493 325 S N -1.446 114.287 115.700 0.055 0.000 2.611 325 S HA 0.653 5.121 4.470 -0.002 0.000 0.268 325 S C -1.361 173.367 174.600 0.213 0.000 1.156 325 S CA -0.964 57.305 58.200 0.114 0.000 0.817 325 S CB 1.043 64.330 63.200 0.145 0.000 1.122 325 S HN 0.388 nan 8.310 nan 0.000 0.466 326 Y N -0.987 119.342 120.300 0.049 0.000 2.764 326 Y HA 0.820 5.368 4.550 -0.003 0.000 0.331 326 Y C -0.991 174.879 175.900 -0.049 0.000 1.280 326 Y CA -1.312 56.799 58.100 0.018 0.000 1.065 326 Y CB 0.880 39.350 38.460 0.016 0.000 1.319 326 Y HN 1.037 nan 8.280 nan 0.000 0.453 327 R N 0.688 121.221 120.500 0.055 0.000 2.621 327 R HA 0.526 4.865 4.340 -0.002 0.000 0.292 327 R C -1.245 174.936 176.300 -0.199 0.000 0.969 327 R CA -0.503 55.515 56.100 -0.137 0.000 0.887 327 R CB 1.908 32.155 30.300 -0.088 0.000 1.180 327 R HN 0.956 nan 8.270 nan 0.000 0.450 328 T N 1.348 115.615 114.554 -0.479 0.000 2.855 328 T HA 0.202 4.550 4.350 -0.002 0.000 0.290 328 T C -0.201 174.099 174.700 -0.667 0.000 0.941 328 T CA -0.625 60.794 62.100 -1.136 0.000 1.030 328 T CB 0.304 68.448 68.868 -1.207 0.000 0.935 328 T HN 0.480 nan 8.240 nan 0.000 0.564 329 S N 3.904 119.277 115.700 -0.544 0.000 2.528 329 S HA 0.212 4.681 4.470 -0.002 0.000 0.277 329 S C 0.486 174.616 174.600 -0.782 0.000 1.297 329 S CA -0.736 57.119 58.200 -0.575 0.000 1.052 329 S CB -0.428 62.411 63.200 -0.603 0.000 0.917 329 S HN 1.000 nan 8.310 nan 0.000 0.492 330 H N -0.225 118.596 119.070 -0.415 0.000 3.211 330 H HA -0.230 4.324 4.556 -0.002 0.000 0.240 330 H C -0.686 174.468 175.328 -0.291 0.000 1.148 330 H CA 1.478 57.361 56.048 -0.274 0.000 1.160 330 H CB -2.152 27.644 29.762 0.057 0.000 1.232 330 H HN 0.875 nan 8.280 nan 0.000 0.321 331 Y N -6.402 113.877 120.300 -0.035 0.000 2.786 331 Y HA 0.445 4.994 4.550 -0.002 0.000 0.365 331 Y C -3.386 172.495 175.900 -0.031 0.000 1.171 331 Y CA -2.758 55.184 58.100 -0.265 0.000 1.214 331 Y CB 0.134 37.917 38.460 -1.129 0.000 1.411 331 Y HN -0.298 nan 8.280 nan 0.000 0.485 332 P HA 0.215 nan 4.420 nan 0.000 0.275 332 P C -0.889 176.733 177.300 0.537 0.000 1.227 332 P CA 0.244 63.522 63.100 0.295 0.000 0.781 332 P CB 0.406 32.300 31.700 0.323 0.000 0.906 333 Y N 0.674 121.089 120.300 0.192 0.000 2.374 333 Y HA 0.422 4.971 4.550 -0.003 0.000 0.322 333 Y C 1.305 177.308 175.900 0.172 0.000 1.275 333 Y CA -1.877 56.349 58.100 0.211 0.000 1.307 333 Y CB 0.780 39.340 38.460 0.166 0.000 1.282 333 Y HN 0.347 nan 8.280 nan 0.000 0.509 334 A N 1.644 124.630 122.820 0.277 0.000 2.603 334 A HA -0.114 4.204 4.320 -0.002 0.000 0.235 334 A C 0.817 178.435 177.584 0.057 0.000 1.035 334 A CA -0.100 51.982 52.037 0.075 0.000 0.755 334 A CB -0.034 18.908 19.000 -0.098 0.000 0.954 334 A HN 0.930 nan 8.150 nan 0.000 0.511 335 E N 1.856 122.058 120.200 0.003 0.000 2.153 335 E HA -0.169 4.180 4.350 -0.002 0.000 0.194 335 E C 1.470 178.070 176.600 0.001 0.000 0.988 335 E CA 1.633 58.049 56.400 0.027 0.000 0.811 335 E CB -0.141 29.609 29.700 0.082 0.000 0.746 335 E HN 0.837 nan 8.360 nan 0.000 0.466 336 E N 0.197 120.346 120.200 -0.086 0.000 2.147 336 E HA -0.219 4.130 4.350 -0.002 0.000 0.199 336 E C 1.783 178.481 176.600 0.162 0.000 1.005 336 E CA 1.277 57.672 56.400 -0.009 0.000 0.810 336 E CB -0.125 29.457 29.700 -0.196 0.000 0.736 336 E HN 0.245 nan 8.360 nan 0.000 0.460 337 M N -0.477 119.229 119.600 0.176 0.000 2.086 337 M HA -0.099 4.380 4.480 -0.002 0.000 0.261 337 M C 2.290 178.751 176.300 0.268 0.000 1.067 337 M CA 1.349 56.825 55.300 0.294 0.000 1.116 337 M CB -0.760 32.059 32.600 0.366 0.000 1.348 337 M HN 0.156 nan 8.290 nan 0.000 0.407 338 L N -0.302 120.967 121.223 0.076 0.000 2.141 338 L HA -0.196 4.143 4.340 -0.002 0.000 0.209 338 L C 2.132 178.965 176.870 -0.061 0.000 1.094 338 L CA 0.846 55.598 54.840 -0.147 0.000 0.763 338 L CB -0.732 40.928 42.059 -0.667 0.000 0.908 338 L HN 0.262 nan 8.230 nan 0.000 0.437 339 D N -0.520 119.912 120.400 0.053 0.000 2.123 339 D HA -0.254 4.385 4.640 -0.002 0.000 0.196 339 D C 1.847 178.283 176.300 0.226 0.000 0.992 339 D CA 1.166 55.273 54.000 0.178 0.000 0.833 339 D CB -0.221 40.677 40.800 0.164 0.000 0.954 339 D HN 0.454 nan 8.370 nan 0.000 0.455 340 W N 2.029 123.376 121.300 0.079 0.000 2.335 340 W HA -0.189 4.468 4.660 -0.004 0.000 0.311 340 W C 2.281 178.917 176.519 0.194 0.000 1.213 340 W CA 1.996 59.390 57.345 0.082 0.000 1.274 340 W CB -0.392 28.941 29.460 -0.211 0.000 1.148 340 W HN -0.058 nan 8.180 nan 0.000 0.498 341 A N 0.503 123.628 122.820 0.508 0.000 1.902 341 A HA -0.224 4.095 4.320 -0.002 0.000 0.217 341 A C 1.733 179.595 177.584 0.463 0.000 1.181 341 A CA 2.077 54.400 52.037 0.477 0.000 0.623 341 A CB -1.042 18.166 19.000 0.347 0.000 0.818 341 A HN 0.215 nan 8.150 nan 0.000 0.443 342 D N -0.561 120.071 120.400 0.387 0.000 2.092 342 D HA -0.188 4.451 4.640 -0.002 0.000 0.193 342 D C 1.898 178.467 176.300 0.448 0.000 0.994 342 D CA 1.716 56.011 54.000 0.490 0.000 0.828 342 D CB -0.427 40.556 40.800 0.305 0.000 0.963 342 D HN 0.733 nan 8.370 nan 0.000 0.450 343 E N -0.488 119.814 120.200 0.171 0.000 2.077 343 E HA -0.182 4.166 4.350 -0.002 0.000 0.193 343 E C 1.228 177.649 176.600 -0.298 0.000 0.989 343 E CA 0.986 57.317 56.400 -0.115 0.000 0.800 343 E CB 0.040 29.566 29.700 -0.291 0.000 0.746 343 E HN 0.390 nan 8.360 nan 0.000 0.452 344 H N -1.475 117.539 119.070 -0.095 0.000 2.539 344 H HA 0.290 4.844 4.556 -0.003 0.000 0.269 344 H C 0.758 176.036 175.328 -0.083 0.000 0.980 344 H CA 0.595 56.591 56.048 -0.086 0.000 1.152 344 H CB 1.118 30.884 29.762 0.007 0.000 1.407 344 H HN 0.319 nan 8.280 nan 0.000 0.564 345 G N 1.092 109.858 108.800 -0.057 0.000 2.246 345 G HA2 -0.288 3.670 3.960 -0.002 0.000 0.273 345 G HA3 -0.288 3.670 3.960 -0.002 0.000 0.273 345 G C -0.043 174.851 174.900 -0.010 0.000 1.055 345 G CA 0.041 44.874 45.100 -0.444 0.000 0.851 345 G HN 0.370 nan 8.290 nan 0.000 0.500 346 I N 0.321 121.072 120.570 0.302 0.000 2.371 346 I HA 0.286 4.455 4.170 -0.002 0.000 0.290 346 I C 0.952 177.249 176.117 0.299 0.000 1.028 346 I CA -0.859 60.635 61.300 0.322 0.000 1.345 346 I CB 1.501 39.758 38.000 0.428 0.000 1.407 346 I HN -0.092 nan 8.210 nan 0.000 0.501 347 V N 7.711 127.722 119.914 0.162 0.000 2.530 347 V HA 0.225 4.344 4.120 -0.002 0.000 0.282 347 V C 0.162 176.190 176.094 -0.110 0.000 1.048 347 V CA -0.260 62.050 62.300 0.016 0.000 0.997 347 V CB 1.438 33.138 31.823 -0.206 0.000 0.987 347 V HN 0.397 nan 8.190 nan 0.000 0.477 348 V N 6.322 126.117 119.914 -0.199 0.000 2.656 348 V HA 0.505 4.624 4.120 -0.002 0.000 0.307 348 V C -0.290 175.623 176.094 -0.301 0.000 1.051 348 V CA -0.569 61.489 62.300 -0.404 0.000 0.893 348 V CB 2.148 33.667 31.823 -0.507 0.000 0.999 348 V HN 0.657 nan 8.190 nan 0.000 0.426 349 I N 3.343 123.726 120.570 -0.312 0.000 2.307 349 I HA 0.339 4.508 4.170 -0.002 0.000 0.289 349 I C -0.444 175.518 176.117 -0.257 0.000 1.021 349 I CA -0.210 60.938 61.300 -0.253 0.000 1.224 349 I CB 1.220 39.082 38.000 -0.229 0.000 1.376 349 I HN 0.527 nan 8.210 nan 0.000 0.470 350 D N 6.612 126.882 120.400 -0.216 0.000 2.225 350 D HA 0.232 4.871 4.640 -0.002 0.000 0.248 350 D C -0.588 175.744 176.300 0.054 0.000 1.096 350 D CA 0.011 53.949 54.000 -0.102 0.000 0.863 350 D CB 1.274 42.033 40.800 -0.068 0.000 1.156 350 D HN 0.535 nan 8.370 nan 0.000 0.450 351 E N 1.712 121.920 120.200 0.012 0.000 2.272 351 E HA 0.350 4.698 4.350 -0.002 0.000 0.269 351 E C -0.299 176.352 176.600 0.085 0.000 0.877 351 E CA -0.758 55.670 56.400 0.047 0.000 0.755 351 E CB 1.132 30.810 29.700 -0.036 0.000 1.192 351 E HN 0.469 nan 8.360 nan 0.000 0.422 352 T N 0.490 115.122 114.554 0.131 0.000 2.667 352 T HA 0.265 4.614 4.350 -0.002 0.000 0.305 352 T C 1.028 175.800 174.700 0.120 0.000 1.022 352 T CA 0.086 62.268 62.100 0.136 0.000 0.995 352 T CB 1.124 70.075 68.868 0.138 0.000 1.026 352 T HN 0.469 nan 8.240 nan 0.000 0.527 353 A N -0.076 122.833 122.820 0.148 0.000 2.276 353 A HA 0.550 4.868 4.320 -0.002 0.000 0.212 353 A C 1.673 179.370 177.584 0.188 0.000 1.230 353 A CA 0.185 52.330 52.037 0.179 0.000 0.844 353 A CB -1.077 18.073 19.000 0.251 0.000 0.860 353 A HN 1.216 nan 8.150 nan 0.000 0.486 354 A N 0.426 123.319 122.820 0.122 0.000 3.077 354 A HA 0.496 4.814 4.320 -0.002 0.000 0.255 354 A C 0.368 178.111 177.584 0.265 0.000 1.728 354 A CA -0.026 52.097 52.037 0.142 0.000 1.383 354 A CB -0.858 17.924 19.000 -0.363 0.000 1.097 354 A HN 0.550 nan 8.150 nan 0.000 0.634 355 V N 0.725 120.818 119.914 0.299 0.000 3.302 355 V HA 0.752 4.871 4.120 -0.002 0.000 0.316 355 V C 1.245 177.587 176.094 0.414 0.000 1.111 355 V CA 0.696 63.150 62.300 0.256 0.000 1.029 355 V CB 1.407 33.276 31.823 0.077 0.000 1.170 355 V HN 1.740 nan 8.190 nan 0.000 0.452 356 G N 2.242 111.268 108.800 0.376 0.000 2.246 356 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.273 356 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.273 356 G C 0.073 175.211 174.900 0.397 0.000 1.055 356 G CA 0.909 46.267 45.100 0.429 0.000 0.851 356 G HN 0.760 nan 8.290 nan 0.000 0.500 357 F N -0.068 120.032 119.950 0.251 0.000 2.727 357 F HA 0.283 4.808 4.527 -0.002 0.000 0.302 357 F C 1.384 177.261 175.800 0.127 0.000 1.097 357 F CA -0.294 57.844 58.000 0.230 0.000 1.330 357 F CB 0.456 39.622 39.000 0.277 0.000 1.084 357 F HN 0.173 nan 8.300 nan 0.000 0.578 358 N N 0.828 119.670 118.700 0.237 0.000 2.400 358 N HA 0.216 4.955 4.740 -0.002 0.000 0.288 358 N C -0.012 175.476 175.510 -0.036 0.000 1.024 358 N CA -0.152 52.988 53.050 0.150 0.000 0.894 358 N CB 1.737 40.364 38.487 0.233 0.000 1.173 358 N HN -0.008 nan 8.380 nan 0.000 0.487 359 L N 1.768 122.938 121.223 -0.088 0.000 2.667 359 L HA 0.278 4.617 4.340 -0.002 0.000 0.232 359 L C 0.932 177.742 176.870 -0.100 0.000 1.138 359 L CA 0.609 55.329 54.840 -0.200 0.000 0.921 359 L CB -0.276 41.653 42.059 -0.216 0.000 1.180 359 L HN 0.461 nan 8.230 nan 0.000 0.487 360 S N -1.302 114.385 115.700 -0.021 0.000 2.663 360 S HA 0.264 4.732 4.470 -0.002 0.000 0.243 360 S C 1.578 176.162 174.600 -0.026 0.000 1.009 360 S CA -0.265 57.872 58.200 -0.105 0.000 0.988 360 S CB 0.409 63.413 63.200 -0.326 0.000 0.896 360 S HN 0.204 nan 8.310 nan 0.000 0.502 361 L N 1.649 122.928 121.223 0.093 0.000 2.109 361 L HA 0.142 4.480 4.340 -0.002 0.000 0.207 361 L C 1.466 178.337 176.870 0.001 0.000 1.086 361 L CA 1.005 55.917 54.840 0.121 0.000 0.760 361 L CB -0.682 41.454 42.059 0.128 0.000 0.910 361 L HN 0.592 nan 8.230 nan 0.000 0.437 371 P HA 0.266 nan 4.420 nan 0.000 0.264 371 P C -0.082 177.147 177.300 -0.118 0.000 1.183 371 P CA 0.341 63.384 63.100 -0.094 0.000 0.763 371 P CB 1.100 32.674 31.700 -0.209 0.000 0.807 372 K N 0.853 121.189 120.400 -0.106 0.000 2.361 372 K HA 0.054 4.372 4.320 -0.002 0.000 0.196 372 K C 0.253 176.793 176.600 -0.101 0.000 1.039 372 K CA 0.568 56.802 56.287 -0.089 0.000 1.001 372 K CB 0.397 32.861 32.500 -0.060 0.000 0.795 372 K HN 0.505 nan 8.250 nan 0.000 0.495 373 E N 1.226 121.343 120.200 -0.139 0.000 2.155 373 E HA 0.029 4.378 4.350 -0.002 0.000 0.264 373 E C 0.195 176.634 176.600 -0.268 0.000 0.886 373 E CA -0.226 56.093 56.400 -0.136 0.000 0.752 373 E CB 2.016 31.664 29.700 -0.087 0.000 1.133 373 E HN -0.062 nan 8.360 nan 0.000 0.414 374 L N 3.574 124.616 121.223 -0.301 0.000 2.017 374 L HA -0.126 4.212 4.340 -0.002 0.000 0.208 374 L C 0.225 176.624 176.870 -0.784 0.000 1.073 374 L CA 1.879 56.367 54.840 -0.587 0.000 0.745 374 L CB -0.277 41.431 42.059 -0.586 0.000 0.894 374 L HN 0.426 nan 8.230 nan 0.000 0.432 375 Y N -0.077 120.130 120.300 -0.154 0.000 2.477 375 Y HA 0.544 5.092 4.550 -0.003 0.000 0.349 375 Y C 0.499 176.320 175.900 -0.132 0.000 0.977 375 Y CA -0.035 57.984 58.100 -0.136 0.000 1.214 375 Y CB 0.701 39.133 38.460 -0.046 0.000 1.124 375 Y HN 0.025 nan 8.280 nan 0.000 0.521 376 S N 1.099 116.738 115.700 -0.101 0.000 2.595 376 S HA 0.249 4.718 4.470 -0.002 0.000 0.270 376 S C 0.339 174.858 174.600 -0.135 0.000 1.145 376 S CA -0.678 57.439 58.200 -0.137 0.000 0.825 376 S CB 1.295 64.349 63.200 -0.244 0.000 1.107 376 S HN 0.620 nan 8.310 nan 0.000 0.461 377 E N 1.582 121.723 120.200 -0.099 0.000 2.112 377 E HA -0.082 4.267 4.350 -0.002 0.000 0.190 377 E C 1.770 178.296 176.600 -0.123 0.000 0.979 377 E CA 1.569 57.924 56.400 -0.075 0.000 0.814 377 E CB -0.154 29.521 29.700 -0.041 0.000 0.762 377 E HN 0.818 nan 8.360 nan 0.000 0.460 378 E N 0.701 120.800 120.200 -0.168 0.000 2.038 378 E HA -0.148 4.200 4.350 -0.002 0.000 0.195 378 E C 1.933 178.268 176.600 -0.442 0.000 1.000 378 E CA 1.527 57.801 56.400 -0.211 0.000 0.803 378 E CB -0.186 29.416 29.700 -0.164 0.000 0.750 378 E HN 0.120 nan 8.360 nan 0.000 0.448 379 A N 1.018 123.407 122.820 -0.718 0.000 1.920 379 A HA 0.285 4.603 4.320 -0.002 0.000 0.209 379 A C 0.881 177.779 177.584 -1.143 0.000 1.229 379 A CA 0.318 51.457 52.037 -1.496 0.000 0.671 379 A CB 0.679 18.742 19.000 -1.561 0.000 0.886 379 A HN 0.115 nan 8.150 nan 0.000 0.461 380 V N 1.866 121.416 119.914 -0.606 0.000 2.623 380 V HA 0.484 4.602 4.120 -0.002 0.000 0.304 380 V C -1.201 174.821 176.094 -0.120 0.000 1.054 380 V CA -0.451 61.668 62.300 -0.302 0.000 0.882 380 V CB 1.613 33.189 31.823 -0.412 0.000 1.002 380 V HN 0.809 nan 8.190 nan 0.000 0.424 381 N N 3.039 121.769 118.700 0.050 0.000 3.344 381 N HA 0.442 5.180 4.740 -0.002 0.000 0.296 381 N C 0.973 176.598 175.510 0.193 0.000 1.571 381 N CA -0.054 53.055 53.050 0.099 0.000 0.844 381 N CB 0.919 39.424 38.487 0.029 0.000 1.718 381 N HN 0.429 nan 8.380 nan 0.000 0.589 382 G N -0.380 108.502 108.800 0.137 0.000 2.442 382 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.219 382 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.219 382 G C 0.902 175.874 174.900 0.121 0.000 1.141 382 G CA 0.954 46.127 45.100 0.122 0.000 0.763 382 G HN 0.606 nan 8.290 nan 0.000 0.554 383 E N 0.336 120.602 120.200 0.110 0.000 2.110 383 E HA -0.042 4.306 4.350 -0.002 0.000 0.193 383 E C 2.878 179.573 176.600 0.158 0.000 0.988 383 E CA 1.244 57.707 56.400 0.106 0.000 0.804 383 E CB -0.677 29.073 29.700 0.083 0.000 0.745 383 E HN 0.377 nan 8.360 nan 0.000 0.458 384 T N 0.411 115.097 114.554 0.221 0.000 2.777 384 T HA -0.172 4.177 4.350 -0.002 0.000 0.266 384 T C 1.835 176.796 174.700 0.436 0.000 1.040 384 T CA 1.345 63.639 62.100 0.323 0.000 1.141 384 T CB -0.171 68.909 68.868 0.352 0.000 0.868 384 T HN 0.215 nan 8.240 nan 0.000 0.444 385 Q N 0.231 120.298 119.800 0.446 0.000 2.124 385 Q HA -0.169 4.170 4.340 -0.002 0.000 0.202 385 Q C 2.393 178.448 176.000 0.092 0.000 0.977 385 Q CA 1.072 57.010 55.803 0.225 0.000 0.850 385 Q CB 0.007 28.761 28.738 0.027 0.000 0.901 385 Q HN 0.362 nan 8.270 nan 0.000 0.429 386 Q N -0.413 119.450 119.800 0.105 0.000 2.119 386 Q HA -0.074 4.264 4.340 -0.002 0.000 0.201 386 Q C 1.927 177.985 176.000 0.097 0.000 0.972 386 Q CA 1.384 57.226 55.803 0.064 0.000 0.847 386 Q CB -0.294 28.473 28.738 0.049 0.000 0.903 386 Q HN 0.463 nan 8.270 nan 0.000 0.433 387 A N 0.364 123.271 122.820 0.145 0.000 1.930 387 A HA -0.208 4.111 4.320 -0.002 0.000 0.217 387 A C 1.992 179.697 177.584 0.201 0.000 1.175 387 A CA 1.575 53.698 52.037 0.144 0.000 0.627 387 A CB -0.659 18.427 19.000 0.143 0.000 0.815 387 A HN 0.349 nan 8.150 nan 0.000 0.443 388 H N -0.332 118.830 119.070 0.153 0.000 2.326 388 H HA -0.079 4.475 4.556 -0.003 0.000 0.301 388 H C 1.955 177.305 175.328 0.037 0.000 1.081 388 H CA 1.842 57.971 56.048 0.136 0.000 1.334 388 H CB -0.397 29.455 29.762 0.150 0.000 1.385 388 H HN 0.355 nan 8.280 nan 0.000 0.504 389 L N 1.075 122.386 121.223 0.146 0.000 2.046 389 L HA -0.151 4.188 4.340 -0.002 0.000 0.208 389 L C 2.596 179.493 176.870 0.046 0.000 1.077 389 L CA 2.011 56.868 54.840 0.029 0.000 0.747 389 L CB -0.815 41.218 42.059 -0.044 0.000 0.896 389 L HN 0.192 nan 8.230 nan 0.000 0.432 390 Q N -0.073 119.764 119.800 0.061 0.000 2.096 390 Q HA -0.190 4.149 4.340 -0.002 0.000 0.204 390 Q C 2.129 178.172 176.000 0.073 0.000 0.982 390 Q CA 2.293 58.127 55.803 0.051 0.000 0.850 390 Q CB -0.526 28.241 28.738 0.049 0.000 0.901 390 Q HN 0.628 nan 8.270 nan 0.000 0.422 391 A N 0.010 122.896 122.820 0.110 0.000 1.902 391 A HA -0.129 4.190 4.320 -0.002 0.000 0.217 391 A C 2.144 179.788 177.584 0.100 0.000 1.181 391 A CA 1.478 53.590 52.037 0.126 0.000 0.623 391 A CB -0.721 18.359 19.000 0.133 0.000 0.818 391 A HN 0.478 nan 8.150 nan 0.000 0.443 392 I N -0.521 120.105 120.570 0.093 0.000 2.179 392 I HA -0.302 3.867 4.170 -0.002 0.000 0.242 392 I C 2.518 178.575 176.117 -0.099 0.000 1.088 392 I CA 1.741 63.039 61.300 -0.003 0.000 1.357 392 I CB -0.359 37.640 38.000 -0.002 0.000 1.051 392 I HN 0.295 nan 8.210 nan 0.000 0.409 393 K N 0.785 121.149 120.400 -0.061 0.000 2.001 393 K HA -0.231 4.087 4.320 -0.002 0.000 0.214 393 K C 2.056 178.627 176.600 -0.049 0.000 1.050 393 K CA 1.830 58.069 56.287 -0.080 0.000 0.934 393 K CB -0.227 32.246 32.500 -0.045 0.000 0.718 393 K HN 0.331 nan 8.250 nan 0.000 0.443 394 E N 0.526 120.740 120.200 0.025 0.000 2.153 394 E HA -0.206 4.142 4.350 -0.002 0.000 0.194 394 E C 1.969 178.615 176.600 0.078 0.000 0.988 394 E CA 0.843 57.291 56.400 0.080 0.000 0.811 394 E CB -0.038 29.759 29.700 0.161 0.000 0.746 394 E HN 0.134 nan 8.360 nan 0.000 0.466 395 L N 0.803 122.053 121.223 0.045 0.000 2.044 395 L HA -0.099 4.240 4.340 -0.002 0.000 0.205 395 L C 1.975 178.820 176.870 -0.042 0.000 1.075 395 L CA 1.481 56.359 54.840 0.063 0.000 0.747 395 L CB -0.196 41.910 42.059 0.079 0.000 0.903 395 L HN 0.075 nan 8.230 nan 0.000 0.435 396 I N -0.080 120.295 120.570 -0.325 0.000 2.252 396 I HA -0.251 3.918 4.170 -0.002 0.000 0.245 396 I C 2.595 178.649 176.117 -0.104 0.000 1.102 396 I CA 1.090 62.076 61.300 -0.524 0.000 1.385 396 I CB -0.743 36.799 38.000 -0.763 0.000 1.064 396 I HN 0.373 nan 8.210 nan 0.000 0.414 397 A N 0.639 123.426 122.820 -0.056 0.000 1.978 397 A HA -0.249 4.069 4.320 -0.002 0.000 0.220 397 A C 2.465 180.105 177.584 0.094 0.000 1.170 397 A CA 1.676 53.730 52.037 0.029 0.000 0.636 397 A CB -0.611 18.410 19.000 0.035 0.000 0.810 397 A HN 0.346 nan 8.150 nan 0.000 0.448 398 R N -1.033 119.541 120.500 0.124 0.000 2.062 398 R HA -0.069 4.269 4.340 -0.002 0.000 0.226 398 R C 0.431 176.877 176.300 0.243 0.000 1.125 398 R CA 1.499 57.706 56.100 0.178 0.000 0.966 398 R CB -0.013 30.405 30.300 0.197 0.000 0.861 398 R HN 0.371 nan 8.270 nan 0.000 0.433 399 D N -0.152 120.456 120.400 0.347 0.000 2.398 399 D HA -0.010 4.629 4.640 -0.002 0.000 0.210 399 D C 1.139 177.713 176.300 0.458 0.000 1.094 399 D CA 0.217 54.531 54.000 0.523 0.000 0.839 399 D CB 0.503 41.644 40.800 0.568 0.000 0.963 399 D HN 0.338 nan 8.370 nan 0.000 0.506 400 K N 0.562 121.187 120.400 0.374 0.000 2.160 400 K HA -0.135 4.184 4.320 -0.002 0.000 0.206 400 K C 0.909 177.574 176.600 0.108 0.000 1.047 400 K CA 1.268 57.740 56.287 0.309 0.000 0.930 400 K CB -0.357 32.255 32.500 0.187 0.000 0.720 400 K HN 0.040 nan 8.250 nan 0.000 0.450 401 N N -0.073 118.621 118.700 -0.011 0.000 2.280 401 N HA 0.017 4.756 4.740 -0.002 0.000 0.192 401 N C -0.557 174.840 175.510 -0.189 0.000 1.109 401 N CA -0.226 52.760 53.050 -0.107 0.000 0.855 401 N CB 0.247 38.667 38.487 -0.111 0.000 0.974 401 N HN 0.174 nan 8.380 nan 0.000 0.482 402 H N 1.642 120.685 119.070 -0.044 0.000 2.864 402 H HA 0.074 4.629 4.556 -0.002 0.000 0.281 402 H C -1.409 173.748 175.328 -0.286 0.000 1.093 402 H CA -1.524 54.454 56.048 -0.117 0.000 1.453 402 H CB 1.081 30.805 29.762 -0.064 0.000 1.462 402 H HN 0.185 nan 8.280 nan 0.000 0.480 403 P HA -0.146 nan 4.420 nan 0.000 0.222 403 P C 1.465 178.163 177.300 -1.004 0.000 1.147 403 P CA 0.940 63.583 63.100 -0.761 0.000 0.790 403 P CB 0.283 31.289 31.700 -1.157 0.000 0.780 404 S N -0.917 114.402 115.700 -0.634 0.000 2.419 404 S HA -0.044 4.425 4.470 -0.002 0.000 0.233 404 S C 1.047 175.471 174.600 -0.294 0.000 1.016 404 S CA 0.360 58.360 58.200 -0.333 0.000 0.974 404 S CB -1.424 61.801 63.200 0.040 0.000 0.786 404 S HN -0.053 nan 8.310 nan 0.000 0.492 405 V N 3.468 123.192 119.914 -0.316 0.000 2.427 405 V HA 0.229 4.348 4.120 -0.002 0.000 0.268 405 V C 1.186 177.036 176.094 -0.407 0.000 1.046 405 V CA 0.123 62.188 62.300 -0.391 0.000 0.970 405 V CB 0.919 32.433 31.823 -0.515 0.000 1.001 405 V HN 0.487 nan 8.190 nan 0.000 0.476 406 V N 2.276 122.014 119.914 -0.293 0.000 3.605 406 V HA 0.522 4.641 4.120 -0.002 0.000 0.284 406 V C 0.187 176.255 176.094 -0.044 0.000 1.386 406 V CA 0.242 62.476 62.300 -0.111 0.000 1.053 406 V CB 0.137 32.017 31.823 0.095 0.000 0.857 406 V HN 0.729 nan 8.190 nan 0.000 0.436 407 M N -0.001 119.442 119.600 -0.261 0.000 2.490 407 M HA 0.501 4.980 4.480 -0.002 0.000 0.286 407 M C -2.568 173.514 176.300 -0.362 0.000 1.185 407 M CA -0.440 54.734 55.300 -0.210 0.000 0.912 407 M CB 2.285 34.900 32.600 0.025 0.000 1.744 407 M HN 0.231 nan 8.290 nan 0.000 0.494 408 W N 2.060 123.380 121.300 0.034 0.000 2.433 408 W HA 0.621 5.280 4.660 -0.001 0.000 0.315 408 W C -0.091 176.435 176.519 0.012 0.000 1.087 408 W CA -0.717 56.641 57.345 0.023 0.000 1.205 408 W CB 1.750 31.238 29.460 0.046 0.000 1.288 408 W HN 0.553 nan 8.180 nan 0.000 0.504 409 S N 3.593 119.430 115.700 0.229 0.000 2.433 409 S HA 0.271 4.740 4.470 -0.002 0.000 0.310 409 S C 0.430 175.113 174.600 0.139 0.000 1.097 409 S CA -0.499 57.758 58.200 0.095 0.000 1.103 409 S CB 0.575 63.773 63.200 -0.003 0.000 0.992 409 S HN 0.457 nan 8.310 nan 0.000 0.469 410 I N 4.454 125.099 120.570 0.123 0.000 2.716 410 I HA 0.382 4.550 4.170 -0.002 0.000 0.259 410 I C 1.018 177.301 176.117 0.277 0.000 1.172 410 I CA 0.946 62.384 61.300 0.230 0.000 1.478 410 I CB -0.089 38.084 38.000 0.289 0.000 1.104 410 I HN 0.820 nan 8.210 nan 0.000 0.439 411 A N -0.226 122.673 122.820 0.132 0.000 2.599 411 A HA 0.569 4.888 4.320 -0.002 0.000 0.294 411 A C -1.066 176.522 177.584 0.006 0.000 1.055 411 A CA -0.685 51.424 52.037 0.121 0.000 0.683 411 A CB 0.524 19.676 19.000 0.253 0.000 1.278 411 A HN 0.049 nan 8.150 nan 0.000 0.412 412 N N 0.917 119.626 118.700 0.014 0.000 2.446 412 N HA 0.477 5.216 4.740 -0.002 0.000 0.265 412 N C -0.543 174.941 175.510 -0.043 0.000 0.975 412 N CA 0.040 53.053 53.050 -0.061 0.000 0.928 412 N CB 0.450 38.840 38.487 -0.161 0.000 1.160 412 N HN 0.663 nan 8.380 nan 0.000 0.495 413 E N 0.493 120.644 120.200 -0.081 0.000 2.340 413 E HA -0.145 4.203 4.350 -0.002 0.000 0.240 413 E C -2.352 174.272 176.600 0.041 0.000 1.154 413 E CA 0.033 56.392 56.400 -0.068 0.000 0.717 413 E CB -1.190 28.469 29.700 -0.069 0.000 1.250 413 E HN 0.578 nan 8.360 nan 0.000 0.386 414 P HA -0.005 nan 4.420 nan 0.000 0.271 414 P C -0.108 177.291 177.300 0.166 0.000 1.218 414 P CA -0.008 63.231 63.100 0.232 0.000 0.780 414 P CB 0.677 32.524 31.700 0.244 0.000 0.901 415 D N 1.946 122.517 120.400 0.285 0.000 2.342 415 D HA 0.029 4.668 4.640 -0.002 0.000 0.260 415 D C 1.035 177.548 176.300 0.354 0.000 1.278 415 D CA 0.248 54.440 54.000 0.321 0.000 0.910 415 D CB 0.126 41.142 40.800 0.360 0.000 1.079 415 D HN 0.262 nan 8.370 nan 0.000 0.496 416 T N 0.785 115.475 114.554 0.228 0.000 3.122 416 T HA 0.150 4.499 4.350 -0.002 0.000 0.250 416 T C 1.556 176.365 174.700 0.181 0.000 1.067 416 T CA -0.147 62.061 62.100 0.179 0.000 0.966 416 T CB 0.149 69.056 68.868 0.066 0.000 1.002 416 T HN 0.241 nan 8.240 nan 0.000 0.542 417 R N 1.471 122.109 120.500 0.231 0.000 2.073 417 R HA 0.119 4.457 4.340 -0.002 0.000 0.229 417 R C -1.574 174.816 176.300 0.150 0.000 1.120 417 R CA 0.396 56.607 56.100 0.185 0.000 0.967 417 R CB -1.492 28.928 30.300 0.200 0.000 0.862 417 R HN 0.402 nan 8.270 nan 0.000 0.436 418 P HA -0.013 nan 4.420 nan 0.000 0.271 418 P C -1.123 176.225 177.300 0.081 0.000 1.218 418 P CA -0.180 63.012 63.100 0.153 0.000 0.780 418 P CB 0.628 32.482 31.700 0.257 0.000 0.901 419 Q N 1.839 121.671 119.800 0.053 0.000 2.361 419 Q HA 0.343 4.682 4.340 -0.002 0.000 0.276 419 Q C 1.001 176.986 176.000 -0.024 0.000 1.022 419 Q CA 0.963 56.775 55.803 0.015 0.000 0.898 419 Q CB -0.079 28.672 28.738 0.022 0.000 1.246 419 Q HN 0.764 nan 8.270 nan 0.000 0.410 420 G N 2.046 110.795 108.800 -0.086 0.000 2.424 420 G HA2 -0.317 3.641 3.960 -0.002 0.000 0.207 420 G HA3 -0.317 3.641 3.960 -0.002 0.000 0.207 420 G C 1.005 175.579 174.900 -0.544 0.000 1.061 420 G CA 0.295 45.285 45.100 -0.184 0.000 0.657 420 G HN 1.358 nan 8.290 nan 0.000 0.508 421 A N 0.797 123.157 122.820 -0.768 0.000 1.884 421 A HA -0.070 4.248 4.320 -0.002 0.000 0.219 421 A C 2.169 179.759 177.584 0.011 0.000 1.197 421 A CA 2.811 54.487 52.037 -0.602 0.000 0.637 421 A CB -0.632 18.302 19.000 -0.110 0.000 0.827 421 A HN 0.647 nan 8.150 nan 0.000 0.450 422 R N -0.577 119.927 120.500 0.006 0.000 2.081 422 R HA -0.180 4.159 4.340 -0.002 0.000 0.235 422 R C 2.239 178.568 176.300 0.049 0.000 1.131 422 R CA 1.749 57.892 56.100 0.071 0.000 0.960 422 R CB -0.295 30.026 30.300 0.034 0.000 0.856 422 R HN 0.729 nan 8.270 nan 0.000 0.436 423 E N -0.753 119.445 120.200 -0.002 0.000 2.070 423 E HA -0.287 4.062 4.350 -0.002 0.000 0.197 423 E C 1.681 178.289 176.600 0.013 0.000 1.004 423 E CA 1.823 58.222 56.400 -0.001 0.000 0.805 423 E CB -0.267 29.430 29.700 -0.005 0.000 0.744 423 E HN 0.490 nan 8.360 nan 0.000 0.451 424 Y N -1.061 119.162 120.300 -0.128 0.000 2.286 424 Y HA -0.067 4.481 4.550 -0.003 0.000 0.293 424 Y C 1.439 177.186 175.900 -0.255 0.000 1.124 424 Y CA 1.389 59.386 58.100 -0.172 0.000 1.178 424 Y CB -0.022 38.333 38.460 -0.175 0.000 1.010 424 Y HN 0.057 nan 8.280 nan 0.000 0.536 425 F N -0.695 119.227 119.950 -0.046 0.000 2.530 425 F HA 0.173 4.699 4.527 -0.002 0.000 0.292 425 F C 2.438 178.147 175.800 -0.153 0.000 1.109 425 F CA 0.707 58.653 58.000 -0.090 0.000 1.450 425 F CB -0.734 38.345 39.000 0.132 0.000 1.114 425 F HN 0.096 nan 8.300 nan 0.000 0.560 426 A N 0.964 123.798 122.820 0.023 0.000 1.892 426 A HA -0.163 4.156 4.320 -0.002 0.000 0.218 426 A C -0.307 177.196 177.584 -0.135 0.000 1.188 426 A CA 1.886 53.877 52.037 -0.077 0.000 0.631 426 A CB -1.969 16.996 19.000 -0.058 0.000 0.822 426 A HN 0.216 nan 8.150 nan 0.000 0.447 427 P HA -0.040 nan 4.420 nan 0.000 0.219 427 P C 1.387 178.566 177.300 -0.201 0.000 1.150 427 P CA 0.627 63.625 63.100 -0.171 0.000 0.814 427 P CB -0.090 31.502 31.700 -0.180 0.000 0.787 428 L N -0.961 120.102 121.223 -0.267 0.000 2.056 428 L HA -0.109 4.230 4.340 -0.002 0.000 0.207 428 L C 2.502 179.289 176.870 -0.138 0.000 1.078 428 L CA 1.440 56.123 54.840 -0.260 0.000 0.749 428 L CB -1.283 40.509 42.059 -0.444 0.000 0.901 428 L HN -0.053 nan 8.230 nan 0.000 0.433 429 A N 0.230 122.971 122.820 -0.132 0.000 1.883 429 A HA -0.255 4.063 4.320 -0.002 0.000 0.217 429 A C 2.174 179.656 177.584 -0.170 0.000 1.186 429 A CA 1.940 53.847 52.037 -0.216 0.000 0.624 429 A CB -0.523 18.136 19.000 -0.569 0.000 0.822 429 A HN 0.445 nan 8.150 nan 0.000 0.444 430 E N -0.473 119.630 120.200 -0.162 0.000 2.031 430 E HA -0.115 4.234 4.350 -0.002 0.000 0.193 430 E C 2.408 178.944 176.600 -0.107 0.000 0.994 430 E CA 0.982 57.307 56.400 -0.125 0.000 0.800 430 E CB -0.327 29.305 29.700 -0.114 0.000 0.752 430 E HN 0.610 nan 8.360 nan 0.000 0.447 431 A N 0.918 123.669 122.820 -0.115 0.000 1.865 431 A HA -0.238 4.081 4.320 -0.002 0.000 0.217 431 A C 2.420 179.938 177.584 -0.110 0.000 1.191 431 A CA 2.243 54.214 52.037 -0.111 0.000 0.623 431 A CB -1.178 17.749 19.000 -0.121 0.000 0.826 431 A HN 0.227 nan 8.150 nan 0.000 0.444 432 T N -0.092 114.399 114.554 -0.105 0.000 2.665 432 T HA -0.220 4.129 4.350 -0.002 0.000 0.268 432 T C 2.007 176.654 174.700 -0.088 0.000 1.035 432 T CA 1.903 63.938 62.100 -0.109 0.000 1.151 432 T CB -0.311 68.534 68.868 -0.038 0.000 0.862 432 T HN 0.577 nan 8.240 nan 0.000 0.438 433 R N 0.794 121.263 120.500 -0.053 0.000 2.092 433 R HA -0.002 4.337 4.340 -0.002 0.000 0.231 433 R C 2.588 178.859 176.300 -0.049 0.000 1.119 433 R CA 0.857 56.941 56.100 -0.027 0.000 0.970 433 R CB -0.093 30.187 30.300 -0.033 0.000 0.864 433 R HN 0.269 nan 8.270 nan 0.000 0.440 434 K N 1.018 121.373 120.400 -0.074 0.000 2.032 434 K HA -0.126 4.192 4.320 -0.002 0.000 0.209 434 K C 2.164 178.701 176.600 -0.105 0.000 1.048 434 K CA 1.240 57.476 56.287 -0.085 0.000 0.927 434 K CB -0.443 32.003 32.500 -0.091 0.000 0.712 434 K HN 0.248 nan 8.250 nan 0.000 0.441 435 L N 0.412 121.560 121.223 -0.125 0.000 2.046 435 L HA -0.151 4.188 4.340 -0.002 0.000 0.208 435 L C 0.498 177.286 176.870 -0.136 0.000 1.077 435 L CA 1.032 55.775 54.840 -0.161 0.000 0.747 435 L CB -0.243 41.687 42.059 -0.215 0.000 0.896 435 L HN 0.152 nan 8.230 nan 0.000 0.432 436 D N -2.073 118.278 120.400 -0.082 0.000 2.479 436 D HA 0.220 4.859 4.640 -0.002 0.000 0.246 436 D C -2.156 174.190 176.300 0.076 0.000 1.336 436 D CA -1.520 52.507 54.000 0.045 0.000 0.967 436 D CB 1.821 42.762 40.800 0.235 0.000 1.275 436 D HN -0.252 nan 8.370 nan 0.000 0.577 437 P HA 0.041 nan 4.420 nan 0.000 0.235 437 P C 1.028 178.345 177.300 0.029 0.000 1.177 437 P CA 0.501 63.612 63.100 0.018 0.000 0.785 437 P CB 0.429 32.123 31.700 -0.010 0.000 0.885 438 T N -1.795 112.783 114.554 0.040 0.000 3.107 438 T HA 0.178 4.527 4.350 -0.002 0.000 0.249 438 T C 0.561 175.253 174.700 -0.013 0.000 1.096 438 T CA -0.002 62.095 62.100 -0.005 0.000 1.012 438 T CB -0.323 68.520 68.868 -0.042 0.000 0.977 438 T HN -0.052 nan 8.240 nan 0.000 0.527 439 R N 1.193 121.723 120.500 0.051 0.000 2.604 439 R HA 0.480 4.819 4.340 -0.002 0.000 0.281 439 R C -2.993 173.346 176.300 0.064 0.000 1.020 439 R CA -2.088 54.014 56.100 0.003 0.000 0.899 439 R CB 1.862 32.092 30.300 -0.118 0.000 1.205 439 R HN 0.112 nan 8.270 nan 0.000 0.450 440 P HA 0.063 nan 4.420 nan 0.000 0.269 440 P C -0.752 176.643 177.300 0.158 0.000 1.217 440 P CA -0.040 63.100 63.100 0.066 0.000 0.783 440 P CB 0.686 32.410 31.700 0.040 0.000 0.898 441 I N 0.033 120.723 120.570 0.200 0.000 2.730 441 I HA 0.590 4.759 4.170 -0.002 0.000 0.298 441 I C -0.820 175.476 176.117 0.299 0.000 1.089 441 I CA -0.409 61.069 61.300 0.296 0.000 1.041 441 I CB 2.334 40.529 38.000 0.325 0.000 1.235 441 I HN 0.280 nan 8.210 nan 0.000 0.423 442 T N 4.960 119.631 114.554 0.195 0.000 2.821 442 T HA 0.406 4.755 4.350 -0.002 0.000 0.306 442 T C -2.046 172.333 174.700 -0.534 0.000 1.313 442 T CA -0.389 61.631 62.100 -0.133 0.000 1.012 442 T CB 1.327 70.111 68.868 -0.140 0.000 1.298 442 T HN 0.711 nan 8.240 nan 0.000 0.502 443 C N 4.004 122.755 119.300 -0.915 0.000 2.442 443 C HA 0.720 5.179 4.460 -0.002 0.000 0.335 443 C C -0.459 174.218 174.990 -0.522 0.000 1.134 443 C CA -0.440 58.082 59.018 -0.827 0.000 1.344 443 C CB -0.635 26.263 27.740 -1.403 0.000 1.956 443 C HN 0.796 nan 8.230 nan 0.000 0.438 444 V N 6.090 125.811 119.914 -0.320 0.000 2.655 444 V HA 0.132 4.251 4.120 -0.002 0.000 0.300 444 V C 0.470 176.414 176.094 -0.251 0.000 1.044 444 V CA 0.414 62.561 62.300 -0.255 0.000 1.095 444 V CB 0.769 32.499 31.823 -0.155 0.000 0.952 444 V HN 0.899 nan 8.190 nan 0.000 0.485 445 N N 3.491 122.037 118.700 -0.257 0.000 2.419 445 N HA 0.398 5.137 4.740 -0.002 0.000 0.277 445 N C -0.779 174.628 175.510 -0.172 0.000 1.006 445 N CA -0.453 52.455 53.050 -0.236 0.000 0.923 445 N CB 1.825 40.130 38.487 -0.302 0.000 1.140 445 N HN 0.506 nan 8.380 nan 0.000 0.488 446 V N 5.622 125.413 119.914 -0.205 0.000 2.775 446 V HA 0.074 4.192 4.120 -0.002 0.000 0.299 446 V C 1.633 177.583 176.094 -0.240 0.000 1.062 446 V CA -0.104 62.041 62.300 -0.259 0.000 1.063 446 V CB 0.852 32.380 31.823 -0.492 0.000 0.994 446 V HN 0.974 nan 8.190 nan 0.000 0.483 447 M N 5.088 124.626 119.600 -0.102 0.000 2.082 447 M HA -0.174 4.305 4.480 -0.002 0.000 0.258 447 M C 1.502 177.864 176.300 0.104 0.000 1.069 447 M CA 2.799 58.123 55.300 0.040 0.000 1.102 447 M CB -0.276 32.387 32.600 0.105 0.000 1.336 447 M HN 0.895 nan 8.290 nan 0.000 0.404 448 F N -0.684 119.348 119.950 0.136 0.000 2.502 448 F HA 0.113 4.639 4.527 -0.002 0.000 0.298 448 F C 0.876 176.759 175.800 0.139 0.000 1.111 448 F CA -0.418 57.662 58.000 0.133 0.000 1.445 448 F CB -1.735 37.322 39.000 0.095 0.000 1.081 448 F HN 0.008 nan 8.300 nan 0.000 0.558 449 C N 5.047 124.316 119.300 -0.051 0.000 2.484 449 C HA 0.177 4.635 4.460 -0.002 0.000 0.494 449 C C 0.665 175.778 174.990 0.205 0.000 1.052 449 C CA -1.427 57.652 59.018 0.101 0.000 1.307 449 C CB -2.407 25.334 27.740 0.001 0.000 1.464 449 C HN 0.470 nan 8.230 nan 0.000 0.564 450 D N 1.170 121.686 120.400 0.193 0.000 2.447 450 D HA 0.182 4.820 4.640 -0.002 0.000 0.265 450 D C 1.275 177.408 176.300 -0.278 0.000 1.250 450 D CA -0.177 53.916 54.000 0.156 0.000 1.046 450 D CB 0.666 41.556 40.800 0.150 0.000 1.095 450 D HN 0.263 nan 8.370 nan 0.000 0.555 451 A N -0.247 121.981 122.820 -0.986 0.000 1.997 451 A HA -0.259 4.060 4.320 -0.002 0.000 0.221 451 A C 1.828 178.769 177.584 -1.072 0.000 1.172 451 A CA 1.892 52.783 52.037 -1.911 0.000 0.645 451 A CB -1.191 16.681 19.000 -1.879 0.000 0.813 451 A HN 0.724 nan 8.150 nan 0.000 0.454 452 H N -2.383 116.459 119.070 -0.380 0.000 2.547 452 H HA 0.093 4.648 4.556 -0.002 0.000 0.272 452 H C 2.228 177.490 175.328 -0.110 0.000 0.971 452 H CA 1.322 57.247 56.048 -0.205 0.000 1.245 452 H CB 0.293 29.976 29.762 -0.132 0.000 1.440 452 H HN 0.583 nan 8.280 nan 0.000 0.540 453 T N -1.548 113.012 114.554 0.010 0.000 2.990 453 T HA -0.018 4.331 4.350 -0.002 0.000 0.249 453 T C 0.534 175.277 174.700 0.073 0.000 1.039 453 T CA -0.184 61.956 62.100 0.067 0.000 1.036 453 T CB -0.128 68.813 68.868 0.121 0.000 0.994 453 T HN 0.191 nan 8.240 nan 0.000 0.489 454 D N 1.915 122.351 120.400 0.060 0.000 2.414 454 D HA 0.149 4.788 4.640 -0.002 0.000 0.242 454 D C 1.147 177.506 176.300 0.100 0.000 1.129 454 D CA 0.697 54.773 54.000 0.126 0.000 0.885 454 D CB 1.297 42.272 40.800 0.291 0.000 1.198 454 D HN 0.335 nan 8.370 nan 0.000 0.437 455 T N 1.040 115.652 114.554 0.096 0.000 3.085 455 T HA 0.209 4.557 4.350 -0.002 0.000 0.264 455 T C 1.038 175.788 174.700 0.084 0.000 1.019 455 T CA -0.348 61.799 62.100 0.078 0.000 0.910 455 T CB 0.138 69.045 68.868 0.065 0.000 1.059 455 T HN 0.383 nan 8.240 nan 0.000 0.542 456 I N 0.161 120.795 120.570 0.106 0.000 4.770 456 I HA 0.278 4.446 4.170 -0.002 0.000 0.327 456 I C 1.957 178.207 176.117 0.222 0.000 1.271 456 I CA 0.094 61.469 61.300 0.126 0.000 1.320 456 I CB -0.189 37.830 38.000 0.031 0.000 1.319 456 I HN 0.144 nan 8.210 nan 0.000 0.462 457 S N 1.777 117.601 115.700 0.206 0.000 2.423 457 S HA -0.140 4.329 4.470 -0.002 0.000 0.231 457 S C 1.602 176.342 174.600 0.234 0.000 1.014 457 S CA 1.448 59.785 58.200 0.228 0.000 0.965 457 S CB -0.286 63.008 63.200 0.158 0.000 0.785 457 S HN 0.573 nan 8.310 nan 0.000 0.495 458 D N 1.750 122.250 120.400 0.168 0.000 2.263 458 D HA -0.139 4.499 4.640 -0.002 0.000 0.208 458 D C 1.419 177.742 176.300 0.038 0.000 0.971 458 D CA 0.752 54.814 54.000 0.103 0.000 0.867 458 D CB -0.375 40.469 40.800 0.073 0.000 0.929 458 D HN 0.396 nan 8.370 nan 0.000 0.492 459 L N -1.168 120.046 121.223 -0.016 0.000 2.599 459 L HA 0.172 4.511 4.340 -0.002 0.000 0.230 459 L C 0.366 176.909 176.870 -0.546 0.000 1.141 459 L CA 0.081 54.747 54.840 -0.289 0.000 0.877 459 L CB -0.270 41.531 42.059 -0.429 0.000 1.009 459 L HN -0.136 nan 8.230 nan 0.000 0.447 460 F N -1.378 118.567 119.950 -0.009 0.000 2.639 460 F HA 0.298 4.824 4.527 -0.002 0.000 0.339 460 F C 1.093 176.888 175.800 -0.009 0.000 1.071 460 F CA -0.888 57.106 58.000 -0.011 0.000 0.994 460 F CB 0.784 39.765 39.000 -0.032 0.000 1.341 460 F HN -0.247 nan 8.300 nan 0.000 0.498 461 D N -0.236 120.290 120.400 0.210 0.000 2.277 461 D HA 0.132 4.770 4.640 -0.002 0.000 0.209 461 D C -0.180 176.171 176.300 0.085 0.000 0.970 461 D CA 1.136 55.199 54.000 0.106 0.000 0.874 461 D CB 0.837 41.685 40.800 0.080 0.000 0.982 461 D HN -0.004 nan 8.370 nan 0.000 0.504 462 V N 1.521 121.482 119.914 0.078 0.000 2.709 462 V HA 0.256 4.374 4.120 -0.002 0.000 0.308 462 V C -0.763 175.275 176.094 -0.093 0.000 1.062 462 V CA -0.971 61.339 62.300 0.017 0.000 0.901 462 V CB 2.902 34.759 31.823 0.056 0.000 1.003 462 V HN -0.081 nan 8.190 nan 0.000 0.425 463 L N 4.748 125.871 121.223 -0.166 0.000 2.260 463 L HA 0.531 4.870 4.340 -0.002 0.000 0.289 463 L C -0.467 176.177 176.870 -0.376 0.000 1.057 463 L CA 0.402 55.051 54.840 -0.319 0.000 0.811 463 L CB 0.541 42.366 42.059 -0.391 0.000 1.184 463 L HN 0.793 nan 8.230 nan 0.000 0.429 464 C N 6.533 125.598 119.300 -0.392 0.000 2.291 464 C HA 0.535 4.994 4.460 -0.002 0.000 0.322 464 C C -0.064 174.714 174.990 -0.354 0.000 1.205 464 C CA -1.060 57.743 59.018 -0.358 0.000 1.495 464 C CB -0.165 27.391 27.740 -0.307 0.000 2.127 464 C HN 0.659 nan 8.230 nan 0.000 0.452 465 L N 3.956 124.977 121.223 -0.336 0.000 2.317 465 L HA 0.498 4.837 4.340 -0.002 0.000 0.281 465 L C -0.316 176.478 176.870 -0.128 0.000 1.024 465 L CA -0.297 54.382 54.840 -0.268 0.000 0.810 465 L CB 0.881 42.764 42.059 -0.293 0.000 1.240 465 L HN 0.540 nan 8.230 nan 0.000 0.427 466 N N 3.239 121.899 118.700 -0.067 0.000 2.485 466 N HA 0.373 5.112 4.740 -0.002 0.000 0.243 466 N C -0.822 174.725 175.510 0.062 0.000 0.987 466 N CA -0.549 52.512 53.050 0.019 0.000 0.940 466 N CB 1.100 39.619 38.487 0.053 0.000 1.122 466 N HN 0.331 nan 8.380 nan 0.000 0.509 467 R N 1.777 122.262 120.500 -0.025 0.000 2.534 467 R HA 0.346 4.684 4.340 -0.002 0.000 0.301 467 R C -0.559 175.670 176.300 -0.118 0.000 0.961 467 R CA -0.502 55.612 56.100 0.024 0.000 0.871 467 R CB 0.868 31.312 30.300 0.240 0.000 1.170 467 R HN 0.570 nan 8.270 nan 0.000 0.446 468 Y N 1.006 121.458 120.300 0.253 0.000 2.696 468 Y HA 0.294 4.843 4.550 -0.001 0.000 0.255 468 Y C -0.361 175.843 175.900 0.507 0.000 1.103 468 Y CA -0.543 57.823 58.100 0.442 0.000 1.126 468 Y CB 0.265 38.948 38.460 0.372 0.000 1.197 468 Y HN 0.475 nan 8.280 nan 0.000 0.574 469 Y N 0.468 121.220 120.300 0.753 0.000 2.620 469 Y HA 0.335 4.883 4.550 -0.003 0.000 0.330 469 Y C 1.565 177.936 175.900 0.784 0.000 1.186 469 Y CA 1.057 59.516 58.100 0.599 0.000 1.467 469 Y CB 0.505 39.189 38.460 0.374 0.000 1.262 469 Y HN 0.459 nan 8.280 nan 0.000 0.550 470 G N 1.878 111.140 108.800 0.769 0.000 2.175 470 G HA2 -0.270 3.688 3.960 -0.002 0.000 0.244 470 G HA3 -0.270 3.688 3.960 -0.002 0.000 0.244 470 G C 0.575 175.891 174.900 0.694 0.000 0.982 470 G CA 0.352 45.931 45.100 0.798 0.000 0.641 470 G HN 0.808 nan 8.290 nan 0.000 0.527 471 W N -0.927 120.554 121.300 0.301 0.000 3.875 471 W HA 0.304 4.963 4.660 -0.002 0.000 0.221 471 W C 1.511 177.981 176.519 -0.083 0.000 0.947 471 W CA 0.919 58.218 57.345 -0.076 0.000 2.039 471 W CB 0.239 29.442 29.460 -0.428 0.000 0.954 471 W HN 0.156 nan 8.180 nan 0.000 0.792 472 Y N 0.468 120.905 120.300 0.228 0.000 2.478 472 Y HA 0.286 4.835 4.550 -0.001 0.000 0.261 472 Y C 0.214 176.176 175.900 0.103 0.000 1.127 472 Y CA 0.276 58.428 58.100 0.087 0.000 1.288 472 Y CB 1.151 39.714 38.460 0.173 0.000 1.084 472 Y HN -0.448 nan 8.280 nan 0.000 0.530 473 V N -0.220 119.884 119.914 0.317 0.000 3.048 473 V HA 0.106 4.224 4.120 -0.002 0.000 0.303 473 V C -1.004 175.274 176.094 0.307 0.000 1.214 473 V CA -1.242 61.235 62.300 0.295 0.000 0.984 473 V CB 2.074 34.109 31.823 0.354 0.000 1.054 473 V HN 0.240 nan 8.190 nan 0.000 0.430 474 Q N 1.196 121.141 119.800 0.241 0.000 2.416 474 Q HA -0.165 4.173 4.340 -0.002 0.000 0.319 474 Q C 0.325 176.448 176.000 0.206 0.000 1.318 474 Q CA 1.042 56.975 55.803 0.216 0.000 0.915 474 Q CB -1.462 27.431 28.738 0.257 0.000 1.184 474 Q HN 0.684 nan 8.270 nan 0.000 0.444 475 S N 0.065 115.834 115.700 0.115 0.000 2.544 475 S HA 0.318 4.787 4.470 -0.002 0.000 0.290 475 S C 1.633 176.248 174.600 0.024 0.000 1.276 475 S CA 0.461 58.669 58.200 0.012 0.000 1.075 475 S CB 0.849 63.975 63.200 -0.124 0.000 0.849 475 S HN 0.996 nan 8.310 nan 0.000 0.494 476 G N 2.708 111.530 108.800 0.037 0.000 2.184 476 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.264 476 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.264 476 G C -0.140 174.910 174.900 0.248 0.000 0.975 476 G CA 0.301 45.407 45.100 0.011 0.000 0.642 476 G HN 0.733 nan 8.290 nan 0.000 0.536 477 D N 0.485 121.057 120.400 0.285 0.000 2.477 477 D HA 0.496 5.134 4.640 -0.002 0.000 0.239 477 D C 1.525 177.990 176.300 0.275 0.000 1.102 477 D CA -0.799 53.345 54.000 0.240 0.000 0.901 477 D CB 0.426 41.325 40.800 0.165 0.000 1.026 477 D HN -0.065 nan 8.370 nan 0.000 0.515 478 L N 2.841 124.235 121.223 0.284 0.000 2.141 478 L HA -0.021 4.318 4.340 -0.002 0.000 0.209 478 L C 2.096 179.029 176.870 0.106 0.000 1.094 478 L CA 1.427 56.391 54.840 0.207 0.000 0.763 478 L CB -0.582 41.573 42.059 0.160 0.000 0.908 478 L HN 0.540 nan 8.230 nan 0.000 0.437 479 E N -1.286 118.973 120.200 0.099 0.000 2.031 479 E HA -0.238 4.111 4.350 -0.002 0.000 0.193 479 E C 2.074 178.698 176.600 0.040 0.000 0.994 479 E CA 1.765 58.197 56.400 0.054 0.000 0.800 479 E CB 0.071 29.806 29.700 0.058 0.000 0.752 479 E HN 0.475 nan 8.360 nan 0.000 0.447 480 T N -0.882 113.712 114.554 0.066 0.000 2.978 480 T HA 0.084 4.432 4.350 -0.002 0.000 0.262 480 T C 1.871 176.601 174.700 0.049 0.000 1.063 480 T CA 1.123 63.253 62.100 0.050 0.000 1.140 480 T CB -0.115 68.787 68.868 0.057 0.000 0.886 480 T HN 0.216 nan 8.240 nan 0.000 0.470 481 A N 1.642 124.531 122.820 0.115 0.000 1.896 481 A HA -0.238 4.080 4.320 -0.002 0.000 0.220 481 A C 2.258 179.822 177.584 -0.033 0.000 1.206 481 A CA 2.455 54.578 52.037 0.143 0.000 0.647 481 A CB -1.198 17.971 19.000 0.281 0.000 0.828 481 A HN 0.784 nan 8.150 nan 0.000 0.455 482 E N -0.288 119.871 120.200 -0.068 0.000 2.110 482 E HA -0.228 4.121 4.350 -0.002 0.000 0.193 482 E C 2.000 178.505 176.600 -0.158 0.000 0.988 482 E CA 1.497 57.801 56.400 -0.161 0.000 0.804 482 E CB -0.109 29.519 29.700 -0.120 0.000 0.745 482 E HN 0.674 nan 8.360 nan 0.000 0.458 483 K N -0.000 120.336 120.400 -0.106 0.000 2.025 483 K HA -0.103 4.216 4.320 -0.002 0.000 0.207 483 K C 2.202 178.713 176.600 -0.148 0.000 1.049 483 K CA 1.393 57.620 56.287 -0.099 0.000 0.933 483 K CB -0.052 32.414 32.500 -0.057 0.000 0.714 483 K HN 0.061 nan 8.250 nan 0.000 0.438 484 V N 1.803 121.597 119.914 -0.200 0.000 2.427 484 V HA -0.214 3.904 4.120 -0.002 0.000 0.248 484 V C 2.205 178.000 176.094 -0.498 0.000 1.051 484 V CA 1.270 63.372 62.300 -0.329 0.000 1.048 484 V CB -0.367 31.222 31.823 -0.389 0.000 0.666 484 V HN 0.236 nan 8.190 nan 0.000 0.456 485 L N 0.412 121.337 121.223 -0.498 0.000 2.027 485 L HA -0.152 4.187 4.340 -0.002 0.000 0.206 485 L C 2.420 179.168 176.870 -0.204 0.000 1.074 485 L CA 2.382 56.983 54.840 -0.397 0.000 0.745 485 L CB -0.694 41.107 42.059 -0.430 0.000 0.898 485 L HN 0.425 nan 8.230 nan 0.000 0.433 486 E N -0.436 119.655 120.200 -0.181 0.000 2.051 486 E HA -0.308 4.041 4.350 -0.002 0.000 0.192 486 E C 2.300 178.861 176.600 -0.064 0.000 0.991 486 E CA 1.539 57.880 56.400 -0.100 0.000 0.799 486 E CB -0.189 29.455 29.700 -0.092 0.000 0.748 486 E HN 0.489 nan 8.360 nan 0.000 0.449 487 K N 0.472 120.823 120.400 -0.082 0.000 2.063 487 K HA -0.270 4.049 4.320 -0.002 0.000 0.208 487 K C 2.131 178.711 176.600 -0.035 0.000 1.048 487 K CA 1.818 58.075 56.287 -0.051 0.000 0.928 487 K CB -0.093 32.375 32.500 -0.054 0.000 0.713 487 K HN 0.014 nan 8.250 nan 0.000 0.442 488 E N 0.935 121.107 120.200 -0.047 0.000 2.051 488 E HA -0.170 4.178 4.350 -0.002 0.000 0.192 488 E C 1.906 178.583 176.600 0.128 0.000 0.991 488 E CA 1.526 57.936 56.400 0.017 0.000 0.799 488 E CB -0.275 29.478 29.700 0.088 0.000 0.748 488 E HN 0.401 nan 8.360 nan 0.000 0.449 489 L N 0.021 121.326 121.223 0.138 0.000 2.131 489 L HA -0.125 4.214 4.340 -0.002 0.000 0.210 489 L C 2.560 179.500 176.870 0.117 0.000 1.092 489 L CA 0.796 55.738 54.840 0.171 0.000 0.759 489 L CB -0.420 41.686 42.059 0.078 0.000 0.903 489 L HN 0.209 nan 8.230 nan 0.000 0.435 490 L N -0.422 120.830 121.223 0.048 0.000 2.072 490 L HA -0.114 4.224 4.340 -0.002 0.000 0.205 490 L C 2.923 179.789 176.870 -0.007 0.000 1.079 490 L CA 0.935 55.788 54.840 0.022 0.000 0.752 490 L CB -0.654 41.409 42.059 0.007 0.000 0.906 490 L HN 0.206 nan 8.230 nan 0.000 0.436 491 A N -0.218 122.572 122.820 -0.051 0.000 1.892 491 A HA -0.265 4.053 4.320 -0.002 0.000 0.218 491 A C 1.957 179.426 177.584 -0.191 0.000 1.188 491 A CA 1.825 53.761 52.037 -0.168 0.000 0.631 491 A CB -1.149 17.655 19.000 -0.326 0.000 0.822 491 A HN 0.523 nan 8.150 nan 0.000 0.447 492 W N -0.252 120.961 121.300 -0.146 0.000 2.338 492 W HA -0.189 4.469 4.660 -0.003 0.000 0.304 492 W C 2.699 179.118 176.519 -0.168 0.000 1.212 492 W CA 1.527 58.784 57.345 -0.147 0.000 1.264 492 W CB -0.182 29.210 29.460 -0.113 0.000 1.142 492 W HN 0.574 nan 8.180 nan 0.000 0.512 493 Q N 1.275 121.127 119.800 0.087 0.000 1.993 493 Q HA -0.298 4.041 4.340 -0.002 0.000 0.202 493 Q C 2.162 177.998 176.000 -0.273 0.000 0.984 493 Q CA 2.371 58.155 55.803 -0.031 0.000 0.837 493 Q CB -0.501 28.245 28.738 0.013 0.000 0.902 493 Q HN 0.520 nan 8.270 nan 0.000 0.423 494 E N 0.184 120.253 120.200 -0.219 0.000 2.153 494 E HA -0.233 4.115 4.350 -0.002 0.000 0.194 494 E C 2.041 178.390 176.600 -0.419 0.000 0.988 494 E CA 1.152 57.362 56.400 -0.316 0.000 0.811 494 E CB -0.265 29.390 29.700 -0.074 0.000 0.746 494 E HN 0.263 nan 8.360 nan 0.000 0.466 495 K N 0.601 120.853 120.400 -0.248 0.000 2.026 495 K HA -0.088 4.231 4.320 -0.002 0.000 0.208 495 K C 1.947 178.473 176.600 -0.124 0.000 1.048 495 K CA 1.551 57.745 56.287 -0.155 0.000 0.929 495 K CB 0.084 32.493 32.500 -0.152 0.000 0.713 495 K HN 0.266 nan 8.250 nan 0.000 0.439 496 L N -1.404 119.746 121.223 -0.123 0.000 2.749 496 L HA 0.119 4.457 4.340 -0.002 0.000 0.242 496 L C -0.226 176.672 176.870 0.047 0.000 1.103 496 L CA -0.180 54.668 54.840 0.014 0.000 0.906 496 L CB 0.222 42.356 42.059 0.125 0.000 1.228 496 L HN 0.303 nan 8.230 nan 0.000 0.517 497 H N 0.697 119.813 119.070 0.076 0.000 2.713 497 H HA -0.183 4.371 4.556 -0.003 0.000 0.311 497 H C 0.163 175.520 175.328 0.047 0.000 1.175 497 H CA 0.586 56.666 56.048 0.054 0.000 1.143 497 H CB -1.579 28.208 29.762 0.042 0.000 1.434 497 H HN 0.538 nan 8.280 nan 0.000 0.418 498 Q N 0.155 120.017 119.800 0.102 0.000 2.241 498 Q HA 0.406 4.745 4.340 -0.002 0.000 0.262 498 Q C -2.303 173.724 176.000 0.045 0.000 1.014 498 Q CA -1.937 53.908 55.803 0.070 0.000 0.885 498 Q CB 1.539 30.302 28.738 0.040 0.000 1.311 498 Q HN 0.056 nan 8.270 nan 0.000 0.461 499 P HA 0.088 nan 4.420 nan 0.000 0.271 499 P C -0.956 176.307 177.300 -0.062 0.000 1.216 499 P CA 0.473 63.595 63.100 0.037 0.000 0.771 499 P CB 0.423 32.201 31.700 0.130 0.000 0.864 500 I N 3.977 124.476 120.570 -0.118 0.000 2.378 500 I HA 0.409 4.577 4.170 -0.002 0.000 0.291 500 I C 0.179 176.103 176.117 -0.321 0.000 0.992 500 I CA -0.609 60.553 61.300 -0.230 0.000 1.154 500 I CB 1.156 39.026 38.000 -0.216 0.000 1.315 500 I HN 0.100 nan 8.210 nan 0.000 0.448 501 I N 6.690 127.020 120.570 -0.400 0.000 2.406 501 I HA 0.331 4.500 4.170 -0.002 0.000 0.290 501 I C -0.554 175.302 176.117 -0.435 0.000 0.999 501 I CA -0.750 60.252 61.300 -0.497 0.000 1.124 501 I CB 2.168 39.787 38.000 -0.635 0.000 1.289 501 I HN 0.381 nan 8.210 nan 0.000 0.441 502 I N 5.434 125.719 120.570 -0.475 0.000 2.278 502 I HA 0.038 4.206 4.170 -0.002 0.000 0.296 502 I C 1.510 177.544 176.117 -0.137 0.000 1.121 502 I CA 0.238 61.341 61.300 -0.327 0.000 1.267 502 I CB 0.757 38.476 38.000 -0.467 0.000 1.447 502 I HN 0.628 nan 8.210 nan 0.000 0.509 503 T N 1.352 115.842 114.554 -0.108 0.000 3.085 503 T HA 0.163 4.512 4.350 -0.002 0.000 0.263 503 T C 0.574 175.372 174.700 0.165 0.000 1.127 503 T CA 0.363 62.452 62.100 -0.019 0.000 1.103 503 T CB -0.168 68.643 68.868 -0.095 0.000 0.921 503 T HN 0.523 nan 8.240 nan 0.000 0.510 504 E N 0.405 120.722 120.200 0.195 0.000 2.291 504 E HA 0.495 4.843 4.350 -0.002 0.000 0.276 504 E C -1.830 174.958 176.600 0.313 0.000 0.896 504 E CA -1.092 55.484 56.400 0.293 0.000 0.774 504 E CB 2.112 31.870 29.700 0.096 0.000 1.227 504 E HN 0.622 nan 8.360 nan 0.000 0.413 505 Y N -0.097 120.291 120.300 0.146 0.000 2.436 505 Y HA 0.786 5.333 4.550 -0.005 0.000 0.327 505 Y C -0.418 175.622 175.900 0.232 0.000 1.138 505 Y CA -0.942 57.192 58.100 0.057 0.000 1.042 505 Y CB 1.880 40.416 38.460 0.126 0.000 1.302 505 Y HN 0.598 nan 8.280 nan 0.000 0.439 506 G N 1.177 109.982 108.800 0.008 0.000 2.387 506 G HA2 0.530 4.488 3.960 -0.002 0.000 0.294 506 G HA3 0.530 4.488 3.960 -0.002 0.000 0.294 506 G C -1.977 172.382 174.900 -0.903 0.000 1.509 506 G CA -0.304 44.604 45.100 -0.319 0.000 0.806 506 G HN 1.547 nan 8.290 nan 0.000 0.546 507 V N -1.835 117.454 119.914 -1.043 0.000 2.888 507 V HA 0.748 4.866 4.120 -0.002 0.000 0.309 507 V C -0.803 174.501 176.094 -1.316 0.000 1.114 507 V CA -1.335 59.980 62.300 -1.641 0.000 0.940 507 V CB 1.862 32.739 31.823 -1.577 0.000 1.021 507 V HN 0.657 nan 8.190 nan 0.000 0.426 508 D N 2.183 121.529 120.400 -1.755 0.000 2.424 508 D HA 0.509 5.148 4.640 -0.002 0.000 0.244 508 D C -0.009 175.935 176.300 -0.593 0.000 1.134 508 D CA 0.871 54.320 54.000 -0.917 0.000 0.881 508 D CB 0.946 41.255 40.800 -0.819 0.000 1.191 508 D HN 0.858 nan 8.370 nan 0.000 0.445 509 T N 2.316 116.734 114.554 -0.226 0.000 3.031 509 T HA 0.239 4.588 4.350 -0.002 0.000 0.305 509 T C -0.261 174.460 174.700 0.035 0.000 0.985 509 T CA -0.661 61.401 62.100 -0.064 0.000 1.008 509 T CB 0.669 69.453 68.868 -0.141 0.000 1.005 509 T HN 0.215 nan 8.240 nan 0.000 0.444 510 L N 3.487 124.793 121.223 0.137 0.000 2.325 510 L HA 0.518 4.857 4.340 -0.002 0.000 0.284 510 L C 0.920 177.785 176.870 -0.008 0.000 1.089 510 L CA -0.589 54.301 54.840 0.083 0.000 0.836 510 L CB 0.276 42.400 42.059 0.108 0.000 1.184 510 L HN 0.837 nan 8.230 nan 0.000 0.444 511 A N 3.442 126.242 122.820 -0.033 0.000 2.565 511 A HA 0.367 4.685 4.320 -0.002 0.000 0.237 511 A C 1.314 178.855 177.584 -0.072 0.000 1.053 511 A CA 0.738 52.738 52.037 -0.062 0.000 0.755 511 A CB 0.027 19.003 19.000 -0.040 0.000 0.980 511 A HN 1.234 nan 8.150 nan 0.000 0.506 512 G N 0.748 109.464 108.800 -0.141 0.000 2.205 512 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.261 512 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.261 512 G C 0.237 175.028 174.900 -0.181 0.000 0.980 512 G CA 0.303 45.331 45.100 -0.120 0.000 0.632 512 G HN 1.128 nan 8.290 nan 0.000 0.533 513 L N 2.373 123.473 121.223 -0.205 0.000 2.261 513 L HA 0.472 4.810 4.340 -0.002 0.000 0.289 513 L C -0.244 176.518 176.870 -0.180 0.000 1.059 513 L CA -0.501 54.283 54.840 -0.092 0.000 0.816 513 L CB 0.334 42.401 42.059 0.013 0.000 1.191 513 L HN 0.205 nan 8.230 nan 0.000 0.431 514 H N 2.938 122.047 119.070 0.065 0.000 2.572 514 H HA 0.407 4.961 4.556 -0.003 0.000 0.359 514 H C -0.962 174.401 175.328 0.058 0.000 1.134 514 H CA -0.463 55.620 56.048 0.058 0.000 1.187 514 H CB 2.391 32.173 29.762 0.034 0.000 1.597 514 H HN 0.469 nan 8.280 nan 0.000 0.524 515 S N 2.199 118.009 115.700 0.184 0.000 2.548 515 S HA 0.194 4.662 4.470 -0.002 0.000 0.276 515 S C 0.791 175.399 174.600 0.013 0.000 1.129 515 S CA -0.683 57.584 58.200 0.112 0.000 0.931 515 S CB 1.006 64.313 63.200 0.177 0.000 1.068 515 S HN 0.482 nan 8.310 nan 0.000 0.480 516 M N 3.007 122.487 119.600 -0.201 0.000 2.492 516 M HA 0.087 4.565 4.480 -0.002 0.000 0.262 516 M C 0.330 176.438 176.300 -0.321 0.000 1.090 516 M CA 1.274 56.373 55.300 -0.335 0.000 1.110 516 M CB -1.087 31.185 32.600 -0.546 0.000 1.407 516 M HN 0.791 nan 8.290 nan 0.000 0.470 517 Y N 0.515 120.866 120.300 0.085 0.000 2.466 517 Y HA 0.087 4.636 4.550 -0.001 0.000 0.272 517 Y C 1.344 177.314 175.900 0.118 0.000 1.169 517 Y CA 0.163 58.314 58.100 0.085 0.000 1.285 517 Y CB -0.797 37.702 38.460 0.066 0.000 1.078 517 Y HN 0.395 nan 8.280 nan 0.000 0.523 518 T N 1.276 115.968 114.554 0.230 0.000 3.549 518 T HA -0.208 4.141 4.350 -0.002 0.000 0.398 518 T C -0.549 174.363 174.700 0.355 0.000 0.766 518 T CA 0.634 62.901 62.100 0.278 0.000 2.007 518 T CB -1.725 67.284 68.868 0.235 0.000 1.727 518 T HN 0.593 nan 8.240 nan 0.000 0.693 519 D N 1.179 121.711 120.400 0.221 0.000 2.506 519 D HA 0.629 5.267 4.640 -0.002 0.000 0.254 519 D C 0.813 177.020 176.300 -0.155 0.000 1.089 519 D CA -1.275 52.718 54.000 -0.013 0.000 1.050 519 D CB 0.425 41.258 40.800 0.056 0.000 1.221 519 D HN 0.517 nan 8.370 nan 0.000 0.589 520 M N -0.878 118.514 119.600 -0.345 0.000 2.246 520 M HA 0.054 4.532 4.480 -0.002 0.000 0.327 520 M C -0.431 176.035 176.300 0.277 0.000 1.090 520 M CA 0.711 55.854 55.300 -0.261 0.000 1.087 520 M CB -0.134 32.263 32.600 -0.339 0.000 1.587 520 M HN 0.573 nan 8.290 nan 0.000 0.444 521 W N 0.564 121.995 121.300 0.218 0.000 4.301 521 W HA -0.199 4.460 4.660 -0.002 0.000 0.360 521 W C -0.128 176.435 176.519 0.073 0.000 1.371 521 W CA 0.650 58.087 57.345 0.154 0.000 0.781 521 W CB -2.482 27.045 29.460 0.113 0.000 2.488 521 W HN 0.711 nan 8.180 nan 0.000 1.350 522 S N -2.199 113.651 115.700 0.249 0.000 2.548 522 S HA 0.545 5.014 4.470 -0.002 0.000 0.286 522 S C 0.912 175.576 174.600 0.106 0.000 1.098 522 S CA -0.556 57.740 58.200 0.161 0.000 0.930 522 S CB 2.314 65.622 63.200 0.179 0.000 1.070 522 S HN 0.206 nan 8.310 nan 0.000 0.480 523 E N 1.235 121.435 120.200 -0.000 0.000 2.147 523 E HA -0.243 4.105 4.350 -0.002 0.000 0.199 523 E C 1.132 177.768 176.600 0.060 0.000 1.005 523 E CA 1.974 58.365 56.400 -0.015 0.000 0.810 523 E CB -0.145 29.497 29.700 -0.096 0.000 0.736 523 E HN 0.762 nan 8.360 nan 0.000 0.460 524 E N -0.108 120.163 120.200 0.119 0.000 2.152 524 E HA -0.147 4.201 4.350 -0.002 0.000 0.192 524 E C 1.648 178.339 176.600 0.153 0.000 0.983 524 E CA 0.628 57.108 56.400 0.134 0.000 0.818 524 E CB -0.313 29.476 29.700 0.148 0.000 0.758 524 E HN 0.331 nan 8.360 nan 0.000 0.467 525 Y N 1.400 121.745 120.300 0.076 0.000 2.200 525 Y HA -0.200 4.350 4.550 -0.000 0.000 0.290 525 Y C 2.404 178.343 175.900 0.066 0.000 1.137 525 Y CA 1.918 60.075 58.100 0.095 0.000 1.163 525 Y CB -0.124 38.399 38.460 0.105 0.000 0.988 525 Y HN 0.044 nan 8.280 nan 0.000 0.518 526 Q N -0.696 119.121 119.800 0.028 0.000 2.112 526 Q HA -0.260 4.078 4.340 -0.002 0.000 0.206 526 Q C 2.295 178.246 176.000 -0.083 0.000 0.987 526 Q CA 2.380 58.116 55.803 -0.111 0.000 0.858 526 Q CB -0.511 28.149 28.738 -0.130 0.000 0.905 526 Q HN 0.604 nan 8.270 nan 0.000 0.420 527 C N -0.144 119.131 119.300 -0.040 0.000 2.436 527 C HA -0.082 4.377 4.460 -0.002 0.000 0.277 527 C C 2.871 177.833 174.990 -0.047 0.000 1.241 527 C CA 0.927 59.927 59.018 -0.030 0.000 1.721 527 C CB -1.311 26.436 27.740 0.011 0.000 2.043 527 C HN 0.732 nan 8.230 nan 0.000 0.472 528 A N -1.353 121.434 122.820 -0.055 0.000 1.930 528 A HA -0.219 4.099 4.320 -0.002 0.000 0.217 528 A C 1.937 179.451 177.584 -0.117 0.000 1.175 528 A CA 1.449 53.444 52.037 -0.070 0.000 0.627 528 A CB -0.887 18.093 19.000 -0.032 0.000 0.815 528 A HN 0.804 nan 8.150 nan 0.000 0.443 529 W N 0.514 121.544 121.300 -0.450 0.000 2.379 529 W HA -0.082 4.576 4.660 -0.002 0.000 0.307 529 W C 1.724 178.060 176.519 -0.305 0.000 1.200 529 W CA 1.672 58.756 57.345 -0.436 0.000 1.297 529 W CB -0.194 28.864 29.460 -0.670 0.000 1.140 529 W HN 0.236 nan 8.180 nan 0.000 0.507 530 L N 0.270 121.474 121.223 -0.032 0.000 2.079 530 L HA -0.237 4.102 4.340 -0.002 0.000 0.210 530 L C 1.993 178.482 176.870 -0.636 0.000 1.081 530 L CA 1.941 56.602 54.840 -0.299 0.000 0.752 530 L CB -0.893 41.049 42.059 -0.195 0.000 0.896 530 L HN -0.037 nan 8.230 nan 0.000 0.433 531 D N -0.621 119.592 120.400 -0.312 0.000 2.117 531 D HA -0.228 4.411 4.640 -0.002 0.000 0.198 531 D C 2.227 178.387 176.300 -0.235 0.000 0.982 531 D CA 0.934 54.819 54.000 -0.192 0.000 0.828 531 D CB 0.091 40.846 40.800 -0.076 0.000 0.967 531 D HN 0.123 nan 8.370 nan 0.000 0.464 532 M N -0.563 118.885 119.600 -0.254 0.000 2.099 532 M HA -0.186 4.292 4.480 -0.002 0.000 0.262 532 M C 1.506 177.578 176.300 -0.380 0.000 1.067 532 M CA 1.488 56.639 55.300 -0.250 0.000 1.124 532 M CB -0.761 31.712 32.600 -0.211 0.000 1.353 532 M HN 0.211 nan 8.290 nan 0.000 0.410 533 Y N 0.529 120.366 120.300 -0.771 0.000 2.102 533 Y HA -0.352 4.196 4.550 -0.004 0.000 0.280 533 Y C 2.339 177.434 175.900 -1.342 0.000 1.178 533 Y CA 2.394 59.853 58.100 -1.070 0.000 1.146 533 Y CB -0.796 36.995 38.460 -1.115 0.000 0.968 533 Y HN 0.518 nan 8.280 nan 0.000 0.504 534 H N -1.524 117.153 119.070 -0.655 0.000 2.387 534 H HA -0.174 4.380 4.556 -0.003 0.000 0.299 534 H C 2.365 177.513 175.328 -0.300 0.000 1.099 534 H CA 1.105 56.874 56.048 -0.464 0.000 1.315 534 H CB -0.112 29.560 29.762 -0.149 0.000 1.380 534 H HN 0.147 nan 8.280 nan 0.000 0.513 535 R N 0.425 120.828 120.500 -0.162 0.000 2.083 535 R HA -0.125 4.213 4.340 -0.002 0.000 0.237 535 R C 2.315 178.545 176.300 -0.118 0.000 1.137 535 R CA 1.261 57.294 56.100 -0.110 0.000 0.951 535 R CB -0.301 29.926 30.300 -0.121 0.000 0.851 535 R HN 0.123 nan 8.270 nan 0.000 0.434 536 V N 0.282 120.065 119.914 -0.219 0.000 2.295 536 V HA -0.238 3.881 4.120 -0.002 0.000 0.246 536 V C 2.006 178.129 176.094 0.049 0.000 1.049 536 V CA 1.619 63.834 62.300 -0.141 0.000 1.024 536 V CB -0.619 31.052 31.823 -0.253 0.000 0.648 536 V HN 0.174 nan 8.190 nan 0.000 0.447 537 F N 0.978 120.883 119.950 -0.075 0.000 2.091 537 F HA -0.180 4.346 4.527 -0.002 0.000 0.299 537 F C 2.309 178.110 175.800 0.001 0.000 1.103 537 F CA 1.346 59.333 58.000 -0.022 0.000 1.228 537 F CB -1.329 37.699 39.000 0.045 0.000 0.984 537 F HN 0.264 nan 8.300 nan 0.000 0.477 538 D N -0.369 120.138 120.400 0.178 0.000 2.310 538 D HA -0.096 4.543 4.640 -0.002 0.000 0.212 538 D C 2.129 178.452 176.300 0.038 0.000 0.965 538 D CA 0.675 54.715 54.000 0.067 0.000 0.879 538 D CB -0.293 40.515 40.800 0.014 0.000 0.921 538 D HN 0.289 nan 8.370 nan 0.000 0.510 539 R N -0.226 120.298 120.500 0.040 0.000 2.317 539 R HA 0.144 4.483 4.340 -0.002 0.000 0.208 539 R C -0.132 176.187 176.300 0.032 0.000 0.914 539 R CA 0.075 56.187 56.100 0.020 0.000 1.060 539 R CB 0.969 31.269 30.300 0.000 0.000 1.015 539 R HN -0.059 nan 8.270 nan 0.000 0.498 540 V N 1.590 121.537 119.914 0.056 0.000 2.326 540 V HA 0.021 4.139 4.120 -0.002 0.000 0.281 540 V C 1.130 177.259 176.094 0.057 0.000 1.015 540 V CA -0.246 62.086 62.300 0.052 0.000 0.823 540 V CB 1.576 33.431 31.823 0.055 0.000 1.009 540 V HN 0.260 nan 8.190 nan 0.000 0.436 541 S N 4.356 120.086 115.700 0.050 0.000 2.387 541 S HA -0.205 4.264 4.470 -0.002 0.000 0.230 541 S C 1.918 176.557 174.600 0.065 0.000 1.035 541 S CA 1.388 59.622 58.200 0.056 0.000 1.014 541 S CB -0.232 62.999 63.200 0.052 0.000 0.836 541 S HN 0.963 nan 8.310 nan 0.000 0.466 542 A N 1.128 123.980 122.820 0.053 0.000 2.121 542 A HA 0.297 4.616 4.320 -0.002 0.000 0.218 542 A C 1.051 178.640 177.584 0.008 0.000 1.154 542 A CA 0.555 52.617 52.037 0.041 0.000 0.679 542 A CB -0.641 18.379 19.000 0.033 0.000 0.795 542 A HN 0.426 nan 8.150 nan 0.000 0.458 543 V N 0.452 120.368 119.914 0.004 0.000 2.470 543 V HA 0.135 4.254 4.120 -0.002 0.000 0.276 543 V C 0.946 177.071 176.094 0.052 0.000 1.040 543 V CA 0.363 62.627 62.300 -0.061 0.000 1.008 543 V CB 1.300 33.058 31.823 -0.108 0.000 0.990 543 V HN 0.142 nan 8.190 nan 0.000 0.477 544 V N 3.970 123.807 119.914 -0.128 0.000 3.398 544 V HA 0.575 4.694 4.120 -0.002 0.000 0.298 544 V C 0.667 176.345 176.094 -0.694 0.000 1.496 544 V CA 0.851 63.073 62.300 -0.130 0.000 1.044 544 V CB 0.537 32.364 31.823 0.007 0.000 0.880 544 V HN 0.995 nan 8.190 nan 0.000 0.443 545 G N 0.838 109.099 108.800 -0.898 0.000 2.556 545 G HA2 0.573 4.532 3.960 -0.002 0.000 0.294 545 G HA3 0.573 4.532 3.960 -0.002 0.000 0.294 545 G C -1.591 172.916 174.900 -0.656 0.000 1.516 545 G CA -0.410 44.119 45.100 -0.952 0.000 0.824 545 G HN 0.203 nan 8.290 nan 0.000 0.535 546 E N 0.352 120.322 120.200 -0.384 0.000 2.302 546 E HA 0.489 4.837 4.350 -0.002 0.000 0.263 546 E C -1.315 175.405 176.600 0.199 0.000 0.897 546 E CA -0.830 55.555 56.400 -0.025 0.000 0.809 546 E CB 2.069 31.978 29.700 0.349 0.000 1.270 546 E HN 0.395 nan 8.360 nan 0.000 0.410 547 Q N 2.384 122.366 119.800 0.305 0.000 2.339 547 Q HA 0.331 4.669 4.340 -0.002 0.000 0.268 547 Q C -0.590 175.687 176.000 0.462 0.000 1.027 547 Q CA -0.954 55.013 55.803 0.274 0.000 0.759 547 Q CB 2.787 31.604 28.738 0.132 0.000 1.244 547 Q HN 0.452 nan 8.270 nan 0.000 0.464 548 V N 2.542 122.634 119.914 0.295 0.000 2.637 548 V HA 0.015 4.133 4.120 -0.002 0.000 0.296 548 V C -0.176 176.100 176.094 0.304 0.000 1.046 548 V CA -0.076 62.229 62.300 0.007 0.000 1.066 548 V CB 0.516 32.313 31.823 -0.044 0.000 0.968 548 V HN 0.769 nan 8.190 nan 0.000 0.483 549 W N 7.218 128.546 121.300 0.047 0.000 2.228 549 W HA 0.470 5.128 4.660 -0.003 0.000 0.364 549 W C -0.112 176.488 176.519 0.135 0.000 0.917 549 W CA -0.277 57.169 57.345 0.168 0.000 1.513 549 W CB 0.739 30.350 29.460 0.251 0.000 1.494 549 W HN 0.832 nan 8.180 nan 0.000 0.346 550 N N 2.840 121.476 118.700 -0.107 0.000 3.171 550 N HA 0.034 4.772 4.740 -0.002 0.000 0.239 550 N C 0.065 175.533 175.510 -0.069 0.000 1.275 550 N CA -0.614 52.171 53.050 -0.443 0.000 0.920 550 N CB 0.243 38.132 38.487 -0.997 0.000 1.554 550 N HN 0.028 nan 8.380 nan 0.000 0.504 551 F N 2.345 122.123 119.950 -0.287 0.000 2.065 551 F HA 0.265 4.790 4.527 -0.003 0.000 0.298 551 F C 0.532 176.197 175.800 -0.226 0.000 1.112 551 F CA 2.003 59.649 58.000 -0.589 0.000 1.212 551 F CB -0.131 38.450 39.000 -0.697 0.000 0.975 551 F HN 0.543 nan 8.300 nan 0.000 0.476 552 A N -0.528 122.194 122.820 -0.163 0.000 2.587 552 A HA 0.437 4.755 4.320 -0.002 0.000 0.293 552 A C -1.237 176.389 177.584 0.069 0.000 1.087 552 A CA -0.831 51.126 52.037 -0.134 0.000 0.692 552 A CB 0.400 19.311 19.000 -0.149 0.000 1.291 552 A HN 0.097 nan 8.150 nan 0.000 0.407 553 D N 0.817 121.214 120.400 -0.006 0.000 2.506 553 D HA 0.420 5.059 4.640 -0.002 0.000 0.234 553 D C -0.335 176.030 176.300 0.110 0.000 1.143 553 D CA 1.500 55.477 54.000 -0.039 0.000 0.871 553 D CB -0.015 40.739 40.800 -0.075 0.000 1.190 553 D HN 0.452 nan 8.370 nan 0.000 0.459 554 F N -1.329 118.655 119.950 0.058 0.000 2.662 554 F HA 0.700 5.225 4.527 -0.003 0.000 0.312 554 F C -0.587 175.288 175.800 0.126 0.000 1.113 554 F CA -1.642 56.411 58.000 0.089 0.000 0.951 554 F CB 0.674 39.741 39.000 0.111 0.000 1.344 554 F HN 0.275 nan 8.300 nan 0.000 0.462 555 A N 1.052 124.080 122.820 0.347 0.000 2.407 555 A HA 0.673 4.992 4.320 -0.002 0.000 0.248 555 A C 0.115 177.931 177.584 0.386 0.000 1.082 555 A CA 0.507 52.678 52.037 0.225 0.000 0.785 555 A CB -0.046 19.013 19.000 0.100 0.000 1.020 555 A HN 1.202 nan 8.150 nan 0.000 0.489 556 T N -1.133 113.584 114.554 0.272 0.000 2.804 556 T HA 0.644 4.993 4.350 -0.002 0.000 0.290 556 T C 0.245 175.149 174.700 0.339 0.000 1.099 556 T CA -0.423 61.890 62.100 0.355 0.000 1.011 556 T CB 0.729 69.756 68.868 0.265 0.000 1.291 556 T HN 0.541 nan 8.240 nan 0.000 0.523 557 S N 0.642 116.489 115.700 0.245 0.000 2.576 557 S HA 0.186 4.655 4.470 -0.002 0.000 0.272 557 S C 0.324 174.980 174.600 0.093 0.000 1.352 557 S CA -0.574 57.714 58.200 0.147 0.000 1.021 557 S CB 0.002 63.111 63.200 -0.152 0.000 0.887 557 S HN 0.642 nan 8.310 nan 0.000 0.542 558 Q N 0.329 120.175 119.800 0.075 0.000 2.373 558 Q HA 0.536 4.875 4.340 -0.002 0.000 0.255 558 Q C 0.438 176.450 176.000 0.019 0.000 0.980 558 Q CA -0.226 55.605 55.803 0.046 0.000 0.882 558 Q CB 0.794 29.558 28.738 0.043 0.000 1.249 558 Q HN 0.794 nan 8.270 nan 0.000 0.438 559 G N -0.011 108.805 108.800 0.026 0.000 2.342 559 G HA2 0.257 4.216 3.960 -0.002 0.000 0.297 559 G HA3 0.257 4.216 3.960 -0.002 0.000 0.297 559 G C -0.264 174.656 174.900 0.034 0.000 1.313 559 G CA -0.935 44.177 45.100 0.021 0.000 0.830 559 G HN 0.562 nan 8.290 nan 0.000 0.506 560 I N -0.075 120.515 120.570 0.034 0.000 3.111 560 I HA 0.154 4.322 4.170 -0.002 0.000 0.272 560 I C 1.916 178.081 176.117 0.079 0.000 1.268 560 I CA 0.762 62.084 61.300 0.036 0.000 1.467 560 I CB -0.154 37.863 38.000 0.027 0.000 1.087 560 I HN 0.210 nan 8.210 nan 0.000 0.467 561 L N 0.585 121.879 121.223 0.117 0.000 2.585 561 L HA 0.217 4.555 4.340 -0.002 0.000 0.226 561 L C 0.544 177.575 176.870 0.270 0.000 1.113 561 L CA 0.171 55.137 54.840 0.210 0.000 0.876 561 L CB 0.028 42.208 42.059 0.202 0.000 1.072 561 L HN 0.114 nan 8.230 nan 0.000 0.468 562 R N 0.841 121.448 120.500 0.179 0.000 2.422 562 R HA 0.340 4.678 4.340 -0.002 0.000 0.307 562 R C -0.935 175.429 176.300 0.106 0.000 1.004 562 R CA -0.379 55.819 56.100 0.163 0.000 0.882 562 R CB 1.871 32.241 30.300 0.117 0.000 1.164 562 R HN -0.213 nan 8.270 nan 0.000 0.489 563 V N 2.337 122.323 119.914 0.120 0.000 2.326 563 V HA 0.173 4.291 4.120 -0.002 0.000 0.249 563 V C 1.437 177.547 176.094 0.026 0.000 1.114 563 V CA 0.492 62.815 62.300 0.038 0.000 1.028 563 V CB 0.402 32.218 31.823 -0.012 0.000 1.170 563 V HN 1.082 nan 8.190 nan 0.000 0.494 564 G N 3.332 112.139 108.800 0.012 0.000 2.166 564 G HA2 0.044 4.003 3.960 -0.002 0.000 0.260 564 G HA3 0.044 4.003 3.960 -0.002 0.000 0.260 564 G C 0.745 175.643 174.900 -0.003 0.000 0.986 564 G CA 0.240 45.341 45.100 0.000 0.000 0.683 564 G HN 1.960 nan 8.290 nan 0.000 0.527 565 G N -1.182 107.623 108.800 0.009 0.000 2.325 565 G HA2 0.298 4.257 3.960 -0.002 0.000 0.285 565 G HA3 0.298 4.257 3.960 -0.002 0.000 0.285 565 G C -0.656 174.199 174.900 -0.075 0.000 1.303 565 G CA 0.130 45.214 45.100 -0.027 0.000 0.970 565 G HN 1.166 nan 8.290 nan 0.000 0.490 566 N N 0.243 118.765 118.700 -0.296 0.000 2.430 566 N HA 0.472 5.211 4.740 -0.002 0.000 0.265 566 N C 0.475 175.768 175.510 -0.363 0.000 1.100 566 N CA -0.453 52.349 53.050 -0.413 0.000 0.961 566 N CB 0.495 38.402 38.487 -0.967 0.000 1.075 566 N HN 0.321 nan 8.380 nan 0.000 0.478 567 K N 2.841 123.144 120.400 -0.161 0.000 2.593 567 K HA 0.107 4.426 4.320 -0.002 0.000 0.208 567 K C -0.023 176.465 176.600 -0.187 0.000 1.051 567 K CA 0.052 56.267 56.287 -0.120 0.000 1.111 567 K CB 0.431 32.952 32.500 0.034 0.000 0.849 567 K HN 0.580 nan 8.250 nan 0.000 0.479 568 K N 0.529 120.809 120.400 -0.201 0.000 2.417 568 K HA 0.077 4.395 4.320 -0.002 0.000 0.196 568 K C 0.908 177.406 176.600 -0.171 0.000 1.023 568 K CA -0.167 55.996 56.287 -0.207 0.000 1.122 568 K CB 0.572 33.040 32.500 -0.053 0.000 0.850 568 K HN 0.127 nan 8.250 nan 0.000 0.521 569 G N 1.104 109.809 108.800 -0.160 0.000 2.544 569 G HA2 0.035 3.994 3.960 -0.002 0.000 0.242 569 G HA3 0.035 3.994 3.960 -0.002 0.000 0.242 569 G C 0.847 175.619 174.900 -0.214 0.000 1.247 569 G CA -0.572 44.431 45.100 -0.162 0.000 0.840 569 G HN -0.021 nan 8.290 nan 0.000 0.578 570 I N 0.079 120.487 120.570 -0.271 0.000 2.584 570 I HA 0.162 4.330 4.170 -0.002 0.000 0.255 570 I C 0.534 176.210 176.117 -0.734 0.000 1.145 570 I CA 0.629 61.668 61.300 -0.434 0.000 1.462 570 I CB -0.793 37.005 38.000 -0.335 0.000 1.102 570 I HN 0.219 nan 8.210 nan 0.000 0.433 571 F N 0.658 120.360 119.950 -0.415 0.000 2.523 571 F HA 0.352 4.878 4.527 -0.002 0.000 0.329 571 F C 1.249 176.876 175.800 -0.289 0.000 1.061 571 F CA -0.989 56.782 58.000 -0.382 0.000 0.967 571 F CB 0.736 39.400 39.000 -0.561 0.000 1.218 571 F HN -0.189 nan 8.300 nan 0.000 0.480 572 T N -2.092 112.457 114.554 -0.008 0.000 2.732 572 T HA 0.226 4.575 4.350 -0.002 0.000 0.287 572 T C 1.236 175.915 174.700 -0.036 0.000 0.993 572 T CA -0.593 61.486 62.100 -0.035 0.000 0.966 572 T CB 0.789 69.641 68.868 -0.026 0.000 1.047 572 T HN 0.692 nan 8.240 nan 0.000 0.527 573 R N 0.436 120.917 120.500 -0.032 0.000 2.148 573 R HA -0.095 4.244 4.340 -0.002 0.000 0.227 573 R C 1.172 177.438 176.300 -0.057 0.000 1.103 573 R CA 1.614 57.697 56.100 -0.027 0.000 0.983 573 R CB -0.428 29.865 30.300 -0.010 0.000 0.874 573 R HN 0.854 nan 8.270 nan 0.000 0.451 574 D N -0.237 120.126 120.400 -0.062 0.000 2.324 574 D HA -0.063 4.576 4.640 -0.002 0.000 0.235 574 D C -0.208 176.028 176.300 -0.107 0.000 1.095 574 D CA -0.034 53.912 54.000 -0.090 0.000 0.871 574 D CB 0.148 40.902 40.800 -0.078 0.000 0.906 574 D HN 0.012 nan 8.370 nan 0.000 0.522 575 R N -0.636 119.810 120.500 -0.089 0.000 3.654 575 R HA -0.156 4.183 4.340 -0.002 0.000 0.302 575 R C -0.690 175.608 176.300 -0.004 0.000 1.166 575 R CA 0.409 56.437 56.100 -0.120 0.000 0.810 575 R CB -2.872 27.331 30.300 -0.162 0.000 1.323 575 R HN 0.413 nan 8.270 nan 0.000 0.478 576 K N 1.940 122.377 120.400 0.062 0.000 2.201 576 K HA 0.320 4.639 4.320 -0.002 0.000 0.278 576 K C -2.037 174.670 176.600 0.178 0.000 1.027 576 K CA -1.733 54.618 56.287 0.106 0.000 0.909 576 K CB 1.085 33.608 32.500 0.039 0.000 1.062 576 K HN -0.122 nan 8.250 nan 0.000 0.465 577 P HA 0.098 nan 4.420 nan 0.000 0.276 577 P C -0.970 176.250 177.300 -0.132 0.000 1.230 577 P CA -0.207 62.806 63.100 -0.145 0.000 0.776 577 P CB 0.840 32.416 31.700 -0.207 0.000 0.888 578 K N 0.853 121.093 120.400 -0.267 0.000 2.109 578 K HA 0.211 4.529 4.320 -0.002 0.000 0.243 578 K C 1.596 178.166 176.600 -0.050 0.000 1.006 578 K CA -0.371 55.842 56.287 -0.123 0.000 0.917 578 K CB 0.477 32.871 32.500 -0.177 0.000 1.081 578 K HN 0.394 nan 8.250 nan 0.000 0.468 579 S N -0.038 115.712 115.700 0.084 0.000 2.442 579 S HA -0.154 4.314 4.470 -0.002 0.000 0.236 579 S C 1.895 176.573 174.600 0.130 0.000 1.007 579 S CA 0.963 59.311 58.200 0.246 0.000 0.965 579 S CB -0.325 63.002 63.200 0.213 0.000 0.773 579 S HN 0.634 nan 8.310 nan 0.000 0.504 580 A N 1.741 124.537 122.820 -0.040 0.000 2.070 580 A HA 0.349 4.667 4.320 -0.002 0.000 0.220 580 A C 2.455 179.919 177.584 -0.199 0.000 1.159 580 A CA 1.338 53.313 52.037 -0.104 0.000 0.656 580 A CB -1.258 17.656 19.000 -0.144 0.000 0.800 580 A HN 0.820 nan 8.150 nan 0.000 0.453 581 A N -0.772 121.839 122.820 -0.347 0.000 1.940 581 A HA -0.019 4.299 4.320 -0.002 0.000 0.219 581 A C 1.837 179.184 177.584 -0.395 0.000 1.176 581 A CA 1.562 53.307 52.037 -0.487 0.000 0.631 581 A CB -0.701 17.804 19.000 -0.825 0.000 0.814 581 A HN 0.498 nan 8.150 nan 0.000 0.446 582 F N -0.693 119.287 119.950 0.049 0.000 2.234 582 F HA -0.016 4.508 4.527 -0.005 0.000 0.296 582 F C 2.083 177.831 175.800 -0.086 0.000 1.089 582 F CA 0.637 58.661 58.000 0.041 0.000 1.343 582 F CB -0.478 38.582 39.000 0.101 0.000 1.040 582 F HN 0.161 nan 8.300 nan 0.000 0.498 583 L N 0.744 121.992 121.223 0.042 0.000 1.970 583 L HA -0.212 4.127 4.340 -0.002 0.000 0.212 583 L C 2.101 178.836 176.870 -0.224 0.000 1.071 583 L CA 2.088 56.893 54.840 -0.058 0.000 0.751 583 L CB -1.108 40.922 42.059 -0.048 0.000 0.889 583 L HN 0.201 nan 8.230 nan 0.000 0.432 584 L N -0.228 120.772 121.223 -0.373 0.000 2.042 584 L HA -0.280 4.058 4.340 -0.002 0.000 0.210 584 L C 2.725 179.212 176.870 -0.638 0.000 1.076 584 L CA 1.732 56.096 54.840 -0.793 0.000 0.749 584 L CB -0.695 40.721 42.059 -1.072 0.000 0.893 584 L HN 0.420 nan 8.230 nan 0.000 0.432 585 Q N 0.904 120.453 119.800 -0.419 0.000 2.096 585 Q HA -0.281 4.058 4.340 -0.002 0.000 0.208 585 Q C 2.066 177.926 176.000 -0.232 0.000 0.993 585 Q CA 2.109 57.677 55.803 -0.391 0.000 0.862 585 Q CB -0.093 28.268 28.738 -0.628 0.000 0.915 585 Q HN 0.351 nan 8.270 nan 0.000 0.416 586 K N -0.185 120.108 120.400 -0.178 0.000 2.025 586 K HA -0.148 4.171 4.320 -0.002 0.000 0.207 586 K C 2.356 178.887 176.600 -0.114 0.000 1.049 586 K CA 1.367 57.591 56.287 -0.105 0.000 0.933 586 K CB -0.246 32.218 32.500 -0.060 0.000 0.714 586 K HN 0.281 nan 8.250 nan 0.000 0.438 587 R N 0.279 120.657 120.500 -0.204 0.000 2.070 587 R HA -0.170 4.168 4.340 -0.002 0.000 0.233 587 R C 1.819 178.094 176.300 -0.041 0.000 1.137 587 R CA 1.748 57.727 56.100 -0.201 0.000 0.945 587 R CB -0.207 29.850 30.300 -0.405 0.000 0.845 587 R HN 0.240 nan 8.270 nan 0.000 0.430 588 W N 0.870 122.094 121.300 -0.126 0.000 2.409 588 W HA -0.013 4.646 4.660 -0.002 0.000 0.299 588 W C 2.448 178.923 176.519 -0.074 0.000 1.203 588 W CA 1.620 58.902 57.345 -0.105 0.000 1.298 588 W CB -1.254 28.148 29.460 -0.096 0.000 1.127 588 W HN 0.326 nan 8.180 nan 0.000 0.528 589 T N -2.980 111.653 114.554 0.133 0.000 3.055 589 T HA 0.076 4.425 4.350 -0.002 0.000 0.265 589 T C 1.942 176.672 174.700 0.049 0.000 1.111 589 T CA 1.319 63.462 62.100 0.072 0.000 1.118 589 T CB -0.539 68.329 68.868 0.000 0.000 0.909 589 T HN 0.072 nan 8.240 nan 0.000 0.501 590 G N 0.730 109.548 108.800 0.028 0.000 2.623 590 G HA2 0.280 4.238 3.960 -0.002 0.000 0.214 590 G HA3 0.280 4.238 3.960 -0.002 0.000 0.214 590 G C 0.588 175.494 174.900 0.009 0.000 1.138 590 G CA -0.369 44.737 45.100 0.010 0.000 0.794 590 G HN 0.443 nan 8.290 nan 0.000 0.535 591 M N 1.111 120.721 119.600 0.017 0.000 2.198 591 M HA 0.168 4.647 4.480 -0.002 0.000 0.315 591 M C -0.123 176.181 176.300 0.007 0.000 1.134 591 M CA -0.420 54.871 55.300 -0.015 0.000 1.171 591 M CB 0.405 32.980 32.600 -0.040 0.000 1.413 591 M HN -0.084 nan 8.290 nan 0.000 0.467 592 N N 1.352 120.045 118.700 -0.012 0.000 2.497 592 N HA 0.090 4.829 4.740 -0.002 0.000 0.268 592 N C -0.826 174.703 175.510 0.032 0.000 1.171 592 N CA 0.012 53.080 53.050 0.030 0.000 0.948 592 N CB 0.285 38.781 38.487 0.015 0.000 1.069 592 N HN 0.453 nan 8.380 nan 0.000 0.460 593 F N 1.494 121.437 119.950 -0.011 0.000 2.629 593 F HA 0.096 4.620 4.527 -0.005 0.000 0.377 593 F C 1.638 177.433 175.800 -0.009 0.000 1.101 593 F CA 0.979 58.976 58.000 -0.005 0.000 1.301 593 F CB 0.209 39.220 39.000 0.018 0.000 1.062 593 F HN 0.744 nan 8.300 nan 0.000 0.583 594 G N 3.667 111.780 108.800 -1.146 0.000 2.212 594 G HA2 -0.352 3.607 3.960 -0.002 0.000 0.267 594 G HA3 -0.352 3.607 3.960 -0.002 0.000 0.267 594 G C -0.038 174.587 174.900 -0.458 0.000 1.002 594 G CA 0.571 45.120 45.100 -0.917 0.000 0.729 594 G HN 0.864 nan 8.290 nan 0.000 0.517 595 E N -0.539 119.478 120.200 -0.305 0.000 2.256 595 E HA 0.571 4.919 4.350 -0.002 0.000 0.267 595 E C 0.056 176.481 176.600 -0.291 0.000 0.892 595 E CA -1.086 55.207 56.400 -0.178 0.000 0.775 595 E CB 0.974 30.623 29.700 -0.085 0.000 1.207 595 E HN 0.228 nan 8.360 nan 0.000 0.420 596 K N 4.188 124.399 120.400 -0.316 0.000 2.249 596 K HA 0.328 4.647 4.320 -0.002 0.000 0.280 596 K C -2.321 174.044 176.600 -0.393 0.000 1.033 596 K CA -1.477 54.430 56.287 -0.633 0.000 0.946 596 K CB 0.662 32.937 32.500 -0.376 0.000 1.005 596 K HN 0.210 nan 8.250 nan 0.000 0.469 597 P HA -0.083 nan 4.420 nan 0.000 0.269 597 P C -0.618 176.596 177.300 -0.144 0.000 1.217 597 P CA -0.143 62.828 63.100 -0.216 0.000 0.783 597 P CB 0.522 32.114 31.700 -0.180 0.000 0.898 598 Q N 2.003 121.750 119.800 -0.089 0.000 2.282 598 Q HA -0.087 4.251 4.340 -0.002 0.000 0.205 598 Q C 0.227 176.202 176.000 -0.042 0.000 0.915 598 Q CA 0.190 55.959 55.803 -0.057 0.000 0.949 598 Q CB -0.426 28.288 28.738 -0.039 0.000 1.035 598 Q HN 0.536 nan 8.270 nan 0.000 0.484 599 Q N -1.503 118.268 119.800 -0.048 0.000 2.487 599 Q HA -0.166 4.173 4.340 -0.002 0.000 0.279 599 Q C -1.073 174.911 176.000 -0.026 0.000 1.228 599 Q CA 0.593 56.378 55.803 -0.030 0.000 0.873 599 Q CB -1.406 27.321 28.738 -0.019 0.000 1.260 599 Q HN 0.588 nan 8.270 nan 0.000 0.471 600 G N -1.396 107.385 108.800 -0.031 0.000 2.673 600 G HA2 0.587 4.546 3.960 -0.002 0.000 0.292 600 G HA3 0.587 4.546 3.960 -0.002 0.000 0.292 600 G C 0.090 174.972 174.900 -0.029 0.000 1.450 600 G CA -0.135 44.950 45.100 -0.025 0.000 0.837 600 G HN 0.469 nan 8.290 nan 0.000 0.505 601 G N 0.000 108.785 108.800 -0.024 0.000 5.446 601 G HA2 0.000 3.959 3.960 -0.002 0.000 0.244 601 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 601 G CA 0.000 45.085 45.100 -0.025 0.000 0.502 601 G HN 0.000 nan 8.290 nan 0.000 0.925