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 2g8g_1_A DATA FIRST_RESID 211 DATA SEQUENCE GADGVGNASG DWHCDSTWSE GHVTTTSTRT WVLPTYNNHL YKRLGESLQS DATA SEQUENCE NTYNGFSTPW GYFDFNRFHC HFSPRDWQRL INNNWGMRPK AMRVKIFNIQ DATA SEQUENCE VKEVTTSNGE TTVANNLTST VQIFADSSYE LPYVMDAGQE GSLPPFPNDV DATA SEQUENCE FMVPQYGYCG LVTGNTSQQQ TDRNAFYCLE YFPSQMLRTG NNFEITYSFE DATA SEQUENCE KVPFHSMYAH SQSLDRLMNP LIDQYLWGLQ STTTGTTLNA GTATTNFTKL DATA SEQUENCE RPTNFSNFKK NWLPGPSIKQ QGFSKTANQN YKIPATGSDS LIKYETHSTL DATA SEQUENCE DGRWSALTPG PPMATAGPAD SKFSNSQLIF AGPKQNGNTA TVPGTLIFTS DATA SEQUENCE EEELAATNAT DTDMWGNLPG GDQSNSNLPT VDRLTALGAV PGMVWQNRDI DATA SEQUENCE YYQGPIWAKI PHTDGHFHPS PLIGGFGLKH PPPQIFIKNT PVPANPATTF DATA SEQUENCE SSTPVNSFIT QYSTGQVSVQ IDWEIQKERS KRWNPEVQFT SNYGQQNSLL DATA SEQUENCE WAPDAAGKYT EPRAIGTRYL THHL 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 211 G HA2 0.000 nan 3.960 nan 0.000 0.244 211 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 211 G C 0.000 174.928 174.900 0.047 0.000 0.946 211 G CA 0.000 45.114 45.100 0.024 0.000 0.502 212 A N 2.176 125.019 122.820 0.037 0.000 2.508 212 A HA 0.737 5.057 4.320 -0.000 0.000 0.297 212 A C -1.247 176.356 177.584 0.033 0.000 1.036 212 A CA -0.435 51.628 52.037 0.043 0.000 0.957 212 A CB 1.459 20.484 19.000 0.041 0.000 1.428 212 A HN 0.497 nan 8.150 nan 0.000 0.393 213 D N 0.662 121.084 120.400 0.037 0.000 3.402 213 D HA 0.654 5.293 4.640 -0.000 0.000 0.287 213 D C 0.776 177.095 176.300 0.031 0.000 1.365 213 D CA 0.527 54.544 54.000 0.029 0.000 1.012 213 D CB 1.499 42.315 40.800 0.026 0.000 1.325 213 D HN 0.772 nan 8.370 nan 0.000 0.627 214 G N -0.270 108.546 108.800 0.027 0.000 2.535 214 G HA2 0.407 4.367 3.960 -0.000 0.000 0.303 214 G HA3 0.407 4.367 3.960 -0.000 0.000 0.303 214 G C 0.974 175.891 174.900 0.029 0.000 1.237 214 G CA -0.215 44.900 45.100 0.025 0.000 0.986 214 G HN 0.209 nan 8.290 nan 0.000 0.494 215 V N 0.400 120.328 119.914 0.023 0.000 2.379 215 V HA 0.059 4.179 4.120 -0.000 0.000 0.245 215 V C 2.286 178.392 176.094 0.020 0.000 1.044 215 V CA 1.937 64.250 62.300 0.021 0.000 1.036 215 V CB -0.349 31.483 31.823 0.014 0.000 0.664 215 V HN 0.759 nan 8.190 nan 0.000 0.453 216 G N 0.642 109.453 108.800 0.018 0.000 3.882 216 G HA2 0.285 4.245 3.960 -0.000 0.000 0.283 216 G HA3 0.285 4.245 3.960 -0.000 0.000 0.283 216 G C -0.204 174.709 174.900 0.021 0.000 1.283 216 G CA -0.112 44.998 45.100 0.017 0.000 1.402 216 G HN 0.442 nan 8.290 nan 0.000 0.618 217 N N -0.085 118.633 118.700 0.029 0.000 2.571 217 N HA 0.494 5.234 4.740 -0.000 0.000 0.286 217 N C 0.098 175.637 175.510 0.050 0.000 1.138 217 N CA -0.466 52.604 53.050 0.033 0.000 0.859 217 N CB 1.422 39.926 38.487 0.028 0.000 1.414 217 N HN 0.256 nan 8.380 nan 0.000 0.529 218 A N 1.414 124.269 122.820 0.058 0.000 2.587 218 A HA 0.112 4.432 4.320 -0.000 0.000 0.235 218 A C 1.049 178.691 177.584 0.097 0.000 1.044 218 A CA 0.622 52.716 52.037 0.094 0.000 0.754 218 A CB -0.001 19.059 19.000 0.101 0.000 0.968 218 A HN 0.764 nan 8.150 nan 0.000 0.509 219 S N 1.341 117.134 115.700 0.155 0.000 2.582 219 S HA 0.528 4.998 4.470 -0.000 0.000 0.234 219 S C 0.572 175.209 174.600 0.062 0.000 0.961 219 S CA 0.197 58.475 58.200 0.130 0.000 0.953 219 S CB -0.496 62.810 63.200 0.176 0.000 0.800 219 S HN 2.165 nan 8.310 nan 0.000 0.471 220 G N 0.017 108.827 108.800 0.017 0.000 2.340 220 G HA2 0.407 4.367 3.960 -0.000 0.000 0.298 220 G HA3 0.407 4.367 3.960 -0.000 0.000 0.298 220 G C -2.417 172.405 174.900 -0.129 0.000 1.498 220 G CA -0.761 44.084 45.100 -0.426 0.000 0.847 220 G HN 0.126 nan 8.290 nan 0.000 0.594 221 D N -0.630 119.644 120.400 -0.209 0.000 2.414 221 D HA 0.336 4.975 4.640 -0.000 0.000 0.241 221 D C -0.734 175.719 176.300 0.255 0.000 1.008 221 D CA -0.384 53.675 54.000 0.100 0.000 1.001 221 D CB 2.227 43.045 40.800 0.031 0.000 1.277 221 D HN 0.377 nan 8.370 nan 0.000 0.538 222 W N 2.492 123.893 121.300 0.167 0.000 2.387 222 W HA 0.155 4.815 4.660 -0.000 0.000 0.310 222 W C -0.968 175.674 176.519 0.205 0.000 1.181 222 W CA 0.016 57.488 57.345 0.211 0.000 1.333 222 W CB -0.166 29.385 29.460 0.152 0.000 1.286 222 W HN 0.354 nan 8.180 nan 0.000 0.455 223 H N 5.198 124.213 119.070 -0.092 0.000 2.589 223 H HA 0.353 4.909 4.556 -0.000 0.000 0.335 223 H C -0.849 174.412 175.328 -0.112 0.000 1.019 223 H CA -0.386 55.644 56.048 -0.029 0.000 1.213 223 H CB 1.533 31.270 29.762 -0.041 0.000 1.472 223 H HN 0.301 nan 8.280 nan 0.000 0.508 224 C N 5.905 125.237 119.300 0.054 0.000 3.414 224 C HA 0.154 4.614 4.460 -0.000 0.000 0.208 224 C C 0.270 175.234 174.990 -0.044 0.000 1.422 224 C CA -0.724 58.275 59.018 -0.032 0.000 1.437 224 C CB -1.182 26.652 27.740 0.158 0.000 1.850 224 C HN 0.877 nan 8.230 nan 0.000 0.481 225 D N 0.777 120.996 120.400 -0.302 0.000 2.181 225 D HA 0.300 4.939 4.640 -0.000 0.000 0.262 225 D C 0.333 176.595 176.300 -0.063 0.000 1.222 225 D CA 0.860 54.752 54.000 -0.179 0.000 0.993 225 D CB 0.541 41.126 40.800 -0.359 0.000 1.160 225 D HN 0.452 nan 8.370 nan 0.000 0.528 226 S N -0.751 114.927 115.700 -0.035 0.000 2.188 226 S HA 0.206 4.676 4.470 -0.000 0.000 0.261 226 S C -1.512 173.076 174.600 -0.019 0.000 0.745 226 S CA -0.520 57.673 58.200 -0.011 0.000 0.907 226 S CB -0.777 62.519 63.200 0.161 0.000 1.276 226 S HN 0.454 nan 8.310 nan 0.000 0.393 227 T N 2.345 116.808 114.554 -0.152 0.000 2.833 227 T HA 0.690 5.040 4.350 -0.000 0.000 0.297 227 T C -0.271 174.349 174.700 -0.133 0.000 1.015 227 T CA -0.488 61.586 62.100 -0.044 0.000 0.963 227 T CB 0.103 68.971 68.868 0.001 0.000 0.955 227 T HN 0.510 nan 8.240 nan 0.000 0.449 228 W N 2.617 123.970 121.300 0.088 0.000 2.213 228 W HA 0.696 5.356 4.660 -0.000 0.000 0.356 228 W C 0.884 177.451 176.519 0.079 0.000 1.273 228 W CA 0.101 57.501 57.345 0.092 0.000 1.391 228 W CB 1.184 30.687 29.460 0.072 0.000 1.187 228 W HN 1.097 nan 8.180 nan 0.000 0.649 229 S N -1.946 113.958 115.700 0.339 0.000 2.654 229 S HA 0.123 4.593 4.470 -0.000 0.000 0.267 229 S C 0.566 175.288 174.600 0.202 0.000 1.151 229 S CA -0.354 57.976 58.200 0.216 0.000 0.873 229 S CB 0.461 63.755 63.200 0.157 0.000 1.181 229 S HN 0.697 nan 8.310 nan 0.000 0.489 230 E N 1.387 121.677 120.200 0.151 0.000 2.358 230 E HA -0.200 4.150 4.350 -0.000 0.000 0.250 230 E C 1.172 177.854 176.600 0.136 0.000 0.987 230 E CA 1.964 58.441 56.400 0.129 0.000 1.029 230 E CB -1.231 28.555 29.700 0.143 0.000 0.979 230 E HN 1.345 nan 8.360 nan 0.000 0.533 231 G N 0.016 108.919 108.800 0.172 0.000 4.867 231 G HA2 0.191 4.151 3.960 -0.000 0.000 0.258 231 G HA3 0.191 4.151 3.960 -0.000 0.000 0.258 231 G C -0.853 174.029 174.900 -0.030 0.000 0.999 231 G CA -0.417 44.734 45.100 0.086 0.000 0.797 231 G HN 0.276 nan 8.290 nan 0.000 0.505 232 H N -0.512 118.631 119.070 0.123 0.000 2.771 232 H HA 0.555 5.110 4.556 -0.000 0.000 0.361 232 H C -1.591 173.767 175.328 0.051 0.000 1.108 232 H CA -0.589 55.512 56.048 0.089 0.000 1.201 232 H CB 3.039 32.829 29.762 0.048 0.000 1.681 232 H HN 0.064 nan 8.280 nan 0.000 0.534 233 V N 3.062 123.033 119.914 0.096 0.000 2.686 233 V HA 0.384 4.503 4.120 -0.000 0.000 0.306 233 V C -0.814 175.249 176.094 -0.052 0.000 1.065 233 V CA -0.284 61.913 62.300 -0.171 0.000 0.894 233 V CB 2.137 33.587 31.823 -0.621 0.000 1.004 233 V HN 0.849 nan 8.190 nan 0.000 0.424 234 T N 4.374 118.835 114.554 -0.155 0.000 2.809 234 T HA 0.456 4.806 4.350 -0.000 0.000 0.296 234 T C -0.106 174.498 174.700 -0.161 0.000 1.015 234 T CA -0.256 61.784 62.100 -0.099 0.000 0.954 234 T CB 0.929 69.739 68.868 -0.097 0.000 0.950 234 T HN 0.974 nan 8.240 nan 0.000 0.450 235 T N 0.854 115.339 114.554 -0.115 0.000 2.837 235 T HA 0.654 5.004 4.350 -0.000 0.000 0.285 235 T C -0.234 174.376 174.700 -0.149 0.000 0.984 235 T CA -0.670 61.322 62.100 -0.178 0.000 1.049 235 T CB 0.902 69.603 68.868 -0.278 0.000 0.947 235 T HN 0.419 nan 8.240 nan 0.000 0.472 236 T N 2.320 116.762 114.554 -0.186 0.000 2.881 236 T HA 0.699 5.048 4.350 -0.000 0.000 0.290 236 T C -0.631 173.954 174.700 -0.191 0.000 1.000 236 T CA -0.938 61.019 62.100 -0.238 0.000 0.978 236 T CB 1.464 70.032 68.868 -0.501 0.000 0.997 236 T HN 1.029 nan 8.240 nan 0.000 0.443 237 S N 1.504 117.129 115.700 -0.124 0.000 2.537 237 S HA 0.813 5.283 4.470 -0.000 0.000 0.270 237 S C -0.929 173.570 174.600 -0.169 0.000 1.142 237 S CA -0.821 57.306 58.200 -0.122 0.000 0.870 237 S CB 1.979 65.159 63.200 -0.033 0.000 1.112 237 S HN 0.565 nan 8.310 nan 0.000 0.466 238 T N 2.760 117.089 114.554 -0.375 0.000 2.887 238 T HA 0.799 5.149 4.350 -0.000 0.000 0.288 238 T C -0.838 173.539 174.700 -0.538 0.000 1.021 238 T CA -0.984 60.777 62.100 -0.565 0.000 1.000 238 T CB 1.234 69.403 68.868 -1.164 0.000 1.034 238 T HN 0.658 nan 8.240 nan 0.000 0.467 239 R N 0.818 121.208 120.500 -0.183 0.000 2.707 239 R HA 0.565 4.905 4.340 -0.000 0.000 0.272 239 R C -1.058 175.388 176.300 0.243 0.000 1.011 239 R CA -0.773 55.440 56.100 0.188 0.000 0.893 239 R CB 1.796 32.379 30.300 0.471 0.000 1.233 239 R HN 0.628 nan 8.270 nan 0.000 0.464 240 T N 2.397 117.099 114.554 0.247 0.000 2.875 240 T HA 0.584 4.934 4.350 -0.000 0.000 0.284 240 T C -0.099 174.460 174.700 -0.236 0.000 0.995 240 T CA -0.602 61.471 62.100 -0.044 0.000 1.060 240 T CB 0.785 69.640 68.868 -0.023 0.000 0.967 240 T HN 0.484 nan 8.240 nan 0.000 0.476 241 W N 0.494 121.587 121.300 -0.346 0.000 2.992 241 W HA 0.746 5.405 4.660 -0.001 0.000 0.342 241 W C -1.759 174.542 176.519 -0.363 0.000 1.176 241 W CA -1.411 55.510 57.345 -0.707 0.000 1.118 241 W CB 0.538 29.469 29.460 -0.881 0.000 1.457 241 W HN 0.458 nan 8.180 nan 0.000 0.573 242 V N 1.338 121.261 119.914 0.015 0.000 2.709 242 V HA 0.642 4.762 4.120 -0.000 0.000 0.308 242 V C -1.201 174.989 176.094 0.159 0.000 1.062 242 V CA -0.943 61.410 62.300 0.089 0.000 0.901 242 V CB 1.514 33.318 31.823 -0.031 0.000 1.003 242 V HN 0.482 nan 8.190 nan 0.000 0.425 243 L N 6.809 128.157 121.223 0.209 0.000 2.349 243 L HA 0.853 5.193 4.340 -0.000 0.000 0.278 243 L C -2.656 174.172 176.870 -0.070 0.000 0.996 243 L CA -1.597 53.241 54.840 -0.004 0.000 0.825 243 L CB 2.166 44.236 42.059 0.018 0.000 1.243 243 L HN 0.475 nan 8.230 nan 0.000 0.412 244 P HA 0.464 nan 4.420 nan 0.000 0.317 244 P C -1.189 175.909 177.300 -0.338 0.000 1.307 244 P CA -0.432 62.529 63.100 -0.231 0.000 0.749 244 P CB 0.701 32.285 31.700 -0.193 0.000 1.377 245 T N -0.280 114.130 114.554 -0.240 0.000 3.053 245 T HA 0.356 4.705 4.350 -0.000 0.000 0.363 245 T C -0.481 174.129 174.700 -0.150 0.000 1.239 245 T CA -0.232 61.679 62.100 -0.315 0.000 1.071 245 T CB -0.874 67.767 68.868 -0.379 0.000 1.089 245 T HN 0.153 nan 8.240 nan 0.000 0.527 246 Y N 2.073 122.264 120.300 -0.181 0.000 2.497 246 Y HA 0.038 4.588 4.550 -0.000 0.000 0.334 246 Y C 1.500 177.331 175.900 -0.116 0.000 1.199 246 Y CA -0.578 57.453 58.100 -0.115 0.000 1.425 246 Y CB 0.220 38.644 38.460 -0.059 0.000 1.291 246 Y HN 0.713 nan 8.280 nan 0.000 0.562 247 N N 1.968 120.724 118.700 0.093 0.000 2.696 247 N HA -0.352 4.388 4.740 -0.000 0.000 0.249 247 N C -0.324 175.211 175.510 0.041 0.000 1.090 247 N CA 0.683 53.759 53.050 0.043 0.000 0.716 247 N CB -0.972 37.540 38.487 0.042 0.000 1.020 247 N HN 0.729 nan 8.380 nan 0.000 0.548 248 N N -0.012 118.689 118.700 0.002 0.000 2.698 248 N HA -0.288 4.451 4.740 -0.000 0.000 0.258 248 N C -0.096 175.449 175.510 0.059 0.000 0.978 248 N CA 1.804 54.846 53.050 -0.013 0.000 0.777 248 N CB -0.627 37.917 38.487 0.096 0.000 0.907 248 N HN 0.583 nan 8.380 nan 0.000 0.543 249 H N -4.980 114.086 119.070 -0.007 0.000 3.882 249 H HA -0.214 4.341 4.556 -0.000 0.000 0.165 249 H C -0.169 175.164 175.328 0.009 0.000 0.896 249 H CA 1.644 57.647 56.048 -0.075 0.000 1.243 249 H CB -1.681 27.959 29.762 -0.203 0.000 0.958 249 H HN 0.447 nan 8.280 nan 0.000 0.400 250 L N -2.294 119.030 121.223 0.167 0.000 2.303 250 L HA 0.657 4.996 4.340 -0.000 0.000 0.266 250 L C 0.059 177.043 176.870 0.191 0.000 1.011 250 L CA -1.312 53.660 54.840 0.220 0.000 0.818 250 L CB 0.484 42.683 42.059 0.234 0.000 1.326 250 L HN -0.181 nan 8.230 nan 0.000 0.435 251 Y N 0.068 120.489 120.300 0.201 0.000 2.304 251 Y HA 0.576 5.126 4.550 -0.001 0.000 0.328 251 Y C 0.069 176.062 175.900 0.156 0.000 1.123 251 Y CA -0.010 58.230 58.100 0.232 0.000 1.218 251 Y CB 1.149 39.794 38.460 0.307 0.000 1.207 251 Y HN 0.437 nan 8.280 nan 0.000 0.495 252 K N 3.136 123.698 120.400 0.270 0.000 2.397 252 K HA 0.342 4.662 4.320 -0.000 0.000 0.253 252 K C -0.541 176.084 176.600 0.042 0.000 0.932 252 K CA -1.088 55.274 56.287 0.126 0.000 0.795 252 K CB 2.049 34.580 32.500 0.052 0.000 1.159 252 K HN 0.531 nan 8.250 nan 0.000 0.424 253 R N 4.800 125.226 120.500 -0.123 0.000 2.401 253 R HA 0.181 4.521 4.340 -0.000 0.000 0.299 253 R C -0.777 175.290 176.300 -0.389 0.000 1.064 253 R CA -0.062 55.700 56.100 -0.563 0.000 1.000 253 R CB 0.209 30.183 30.300 -0.544 0.000 0.973 253 R HN 0.564 nan 8.270 nan 0.000 0.438 254 L N 3.248 124.216 121.223 -0.425 0.000 2.360 254 L HA 0.698 5.038 4.340 -0.000 0.000 0.271 254 L C 0.549 177.306 176.870 -0.189 0.000 1.057 254 L CA -0.627 54.112 54.840 -0.168 0.000 0.803 254 L CB 1.964 44.017 42.059 -0.010 0.000 1.207 254 L HN 0.886 nan 8.230 nan 0.000 0.445 255 G N 1.210 109.892 108.800 -0.196 0.000 2.473 255 G HA2 0.453 4.412 3.960 -0.000 0.000 0.298 255 G HA3 0.453 4.412 3.960 -0.000 0.000 0.298 255 G C -1.913 172.673 174.900 -0.525 0.000 1.575 255 G CA -0.416 44.435 45.100 -0.415 0.000 0.846 255 G HN 0.589 nan 8.290 nan 0.000 0.585 256 E N 0.606 120.370 120.200 -0.727 0.000 2.683 256 E HA 0.342 4.691 4.350 -0.000 0.000 0.339 256 E C -0.859 175.500 176.600 -0.402 0.000 0.921 256 E CA -0.514 55.586 56.400 -0.500 0.000 0.786 256 E CB 0.943 30.356 29.700 -0.479 0.000 1.363 256 E HN 0.427 nan 8.360 nan 0.000 0.401 257 S N 5.232 120.793 115.700 -0.230 0.000 2.414 257 S HA 0.237 4.707 4.470 -0.000 0.000 0.290 257 S C 0.429 174.965 174.600 -0.107 0.000 1.160 257 S CA -0.114 57.993 58.200 -0.155 0.000 1.069 257 S CB 0.033 63.164 63.200 -0.114 0.000 1.012 257 S HN 0.471 nan 8.310 nan 0.000 0.510 258 L N 3.411 124.585 121.223 -0.080 0.000 3.186 258 L HA 0.237 4.577 4.340 -0.000 0.000 0.292 258 L C 0.258 177.112 176.870 -0.027 0.000 1.303 258 L CA -0.510 54.309 54.840 -0.034 0.000 0.940 258 L CB -0.198 41.866 42.059 0.009 0.000 1.358 258 L HN 0.795 nan 8.230 nan 0.000 0.581 259 Q N -0.693 119.077 119.800 -0.050 0.000 2.367 259 Q HA -0.328 4.012 4.340 -0.000 0.000 0.324 259 Q C 0.448 176.412 176.000 -0.059 0.000 1.239 259 Q CA 0.777 56.540 55.803 -0.067 0.000 0.995 259 Q CB -1.216 27.474 28.738 -0.080 0.000 1.093 259 Q HN 0.447 nan 8.270 nan 0.000 0.296 260 S N 1.116 116.789 115.700 -0.045 0.000 1.794 260 S HA -0.155 4.315 4.470 -0.000 0.000 0.246 260 S C 0.467 175.096 174.600 0.047 0.000 1.023 260 S CA 0.887 59.079 58.200 -0.013 0.000 1.311 260 S CB -0.942 62.239 63.200 -0.032 0.000 1.603 260 S HN 0.859 nan 8.310 nan 0.000 0.545 261 N N 1.173 119.904 118.700 0.050 0.000 2.177 261 N HA 0.181 4.921 4.740 -0.000 0.000 0.218 261 N C -0.325 175.271 175.510 0.142 0.000 1.182 261 N CA 0.433 53.542 53.050 0.099 0.000 0.882 261 N CB 0.712 39.255 38.487 0.092 0.000 1.052 261 N HN 0.482 nan 8.380 nan 0.000 0.519 262 T N 2.069 116.658 114.554 0.058 0.000 2.933 262 T HA 0.083 4.432 4.350 -0.000 0.000 0.306 262 T C -0.138 174.613 174.700 0.084 0.000 1.045 262 T CA 0.695 62.792 62.100 -0.005 0.000 1.143 262 T CB -0.090 68.755 68.868 -0.039 0.000 1.003 262 T HN 0.326 nan 8.240 nan 0.000 0.540 263 Y N 0.614 120.902 120.300 -0.019 0.000 2.677 263 Y HA 0.640 5.190 4.550 -0.000 0.000 0.334 263 Y C -1.121 174.757 175.900 -0.038 0.000 1.196 263 Y CA -1.628 56.463 58.100 -0.014 0.000 1.059 263 Y CB 1.392 39.845 38.460 -0.012 0.000 1.315 263 Y HN 0.734 nan 8.280 nan 0.000 0.455 264 N N 0.576 119.382 118.700 0.177 0.000 2.825 264 N HA 0.750 5.489 4.740 -0.000 0.000 0.253 264 N C -0.734 174.852 175.510 0.126 0.000 1.426 264 N CA -0.273 52.795 53.050 0.031 0.000 0.851 264 N CB 2.019 40.470 38.487 -0.059 0.000 1.470 264 N HN 1.550 nan 8.380 nan 0.000 0.517 265 G N -0.572 108.194 108.800 -0.057 0.000 2.513 265 G HA2 0.390 4.350 3.960 -0.000 0.000 0.182 265 G HA3 0.390 4.350 3.960 -0.000 0.000 0.182 265 G C -2.185 172.454 174.900 -0.435 0.000 1.190 265 G CA -0.672 44.401 45.100 -0.044 0.000 0.987 265 G HN 0.464 nan 8.290 nan 0.000 0.479 266 F N 0.464 120.191 119.950 -0.372 0.000 2.665 266 F HA 0.641 5.168 4.527 -0.000 0.000 0.308 266 F C 0.129 175.688 175.800 -0.401 0.000 1.112 266 F CA -0.333 57.460 58.000 -0.345 0.000 0.972 266 F CB 2.552 41.386 39.000 -0.278 0.000 1.295 266 F HN 0.653 nan 8.300 nan 0.000 0.440 267 S N -0.012 115.695 115.700 0.011 0.000 2.473 267 S HA 0.765 5.235 4.470 -0.000 0.000 0.307 267 S C -0.467 174.164 174.600 0.052 0.000 1.094 267 S CA -0.566 57.611 58.200 -0.038 0.000 1.070 267 S CB 1.446 64.617 63.200 -0.049 0.000 1.019 267 S HN 0.769 nan 8.310 nan 0.000 0.480 268 T N -0.863 113.711 114.554 0.034 0.000 2.944 268 T HA 0.611 4.960 4.350 -0.000 0.000 0.284 268 T C -2.545 172.167 174.700 0.019 0.000 1.010 268 T CA -2.149 59.924 62.100 -0.044 0.000 1.025 268 T CB 1.050 70.028 68.868 0.183 0.000 1.079 268 T HN 0.312 nan 8.240 nan 0.000 0.516 269 P HA 0.232 nan 4.420 nan 0.000 0.249 269 P C -0.761 176.553 177.300 0.024 0.000 1.229 269 P CA -0.118 62.965 63.100 -0.028 0.000 0.788 269 P CB 0.012 31.615 31.700 -0.162 0.000 1.072 270 W N 0.363 121.711 121.300 0.080 0.000 2.448 270 W HA 0.587 5.246 4.660 -0.001 0.000 0.339 270 W C 1.016 177.717 176.519 0.304 0.000 1.124 270 W CA -0.075 57.359 57.345 0.149 0.000 1.262 270 W CB 0.667 30.204 29.460 0.129 0.000 1.251 270 W HN -0.198 nan 8.180 nan 0.000 0.597 271 G N 0.495 109.558 108.800 0.437 0.000 2.705 271 G HA2 0.751 4.711 3.960 -0.000 0.000 0.299 271 G HA3 0.751 4.711 3.960 -0.000 0.000 0.299 271 G C -2.006 173.093 174.900 0.332 0.000 1.315 271 G CA -0.794 44.495 45.100 0.316 0.000 1.045 271 G HN 0.629 nan 8.290 nan 0.000 0.517 272 Y N -2.796 117.397 120.300 -0.179 0.000 2.521 272 Y HA 0.638 5.188 4.550 -0.001 0.000 0.328 272 Y C -1.738 173.830 175.900 -0.553 0.000 1.151 272 Y CA -1.925 55.950 58.100 -0.375 0.000 1.054 272 Y CB 0.803 39.033 38.460 -0.384 0.000 1.338 272 Y HN 0.389 nan 8.280 nan 0.000 0.453 273 F N 2.718 122.425 119.950 -0.406 0.000 2.396 273 F HA 0.400 4.926 4.527 -0.000 0.000 0.343 273 F C 0.068 175.397 175.800 -0.785 0.000 1.104 273 F CA 0.178 57.822 58.000 -0.593 0.000 1.161 273 F CB 1.056 39.732 39.000 -0.539 0.000 1.146 273 F HN 0.587 nan 8.300 nan 0.000 0.522 274 D N 3.367 123.327 120.400 -0.733 0.000 2.696 274 D HA 0.298 4.937 4.640 -0.000 0.000 0.251 274 D C -0.861 175.076 176.300 -0.605 0.000 1.188 274 D CA -0.562 53.085 54.000 -0.587 0.000 0.876 274 D CB 0.703 41.298 40.800 -0.341 0.000 1.334 274 D HN 0.283 nan 8.370 nan 0.000 0.540 275 F N 1.986 121.989 119.950 0.088 0.000 2.805 275 F HA 0.316 4.842 4.527 -0.000 0.000 0.317 275 F C 1.220 177.022 175.800 0.003 0.000 1.146 275 F CA -0.815 57.244 58.000 0.100 0.000 1.265 275 F CB -0.376 38.831 39.000 0.344 0.000 0.992 275 F HN 0.189 nan 8.300 nan 0.000 0.511 276 N N 2.109 120.709 118.700 -0.168 0.000 2.509 276 N HA 0.047 4.787 4.740 -0.000 0.000 0.239 276 N C -0.359 174.880 175.510 -0.452 0.000 1.215 276 N CA 0.245 52.881 53.050 -0.690 0.000 0.882 276 N CB -0.027 37.962 38.487 -0.830 0.000 1.189 276 N HN 0.092 nan 8.380 nan 0.000 0.490 277 R N 0.017 120.342 120.500 -0.292 0.000 2.538 277 R HA 0.172 4.511 4.340 -0.000 0.000 0.292 277 R C 0.303 176.414 176.300 -0.315 0.000 1.008 277 R CA -0.581 55.312 56.100 -0.345 0.000 0.896 277 R CB 0.556 30.590 30.300 -0.442 0.000 1.187 277 R HN 0.129 nan 8.270 nan 0.000 0.440 278 F N 1.682 121.496 119.950 -0.227 0.000 2.120 278 F HA -0.265 4.262 4.527 -0.000 0.000 0.300 278 F C 2.391 178.066 175.800 -0.210 0.000 1.095 278 F CA 2.158 60.112 58.000 -0.078 0.000 1.249 278 F CB -0.190 38.613 39.000 -0.328 0.000 0.995 278 F HN 0.683 nan 8.300 nan 0.000 0.480 279 H N -2.815 115.981 119.070 -0.456 0.000 2.567 279 H HA -0.026 4.529 4.556 -0.000 0.000 0.276 279 H C 1.745 176.944 175.328 -0.216 0.000 1.016 279 H CA 0.370 56.046 56.048 -0.621 0.000 1.186 279 H CB -1.700 27.537 29.762 -0.875 0.000 1.351 279 H HN 0.278 nan 8.280 nan 0.000 0.605 280 C N 0.606 119.888 119.300 -0.030 0.000 2.448 280 C HA -0.003 4.457 4.460 -0.000 0.000 0.280 280 C C 1.944 176.671 174.990 -0.438 0.000 1.398 280 C CA 0.753 59.610 59.018 -0.269 0.000 1.774 280 C CB -0.551 26.860 27.740 -0.549 0.000 1.888 280 C HN 0.764 nan 8.230 nan 0.000 0.519 281 H N -1.865 117.297 119.070 0.154 0.000 2.373 281 H HA 0.250 4.806 4.556 -0.000 0.000 0.290 281 H C 0.359 175.688 175.328 0.001 0.000 0.989 281 H CA 0.335 56.405 56.048 0.036 0.000 1.250 281 H CB -0.411 29.361 29.762 0.017 0.000 1.477 281 H HN 0.315 nan 8.280 nan 0.000 0.551 282 F N 2.169 122.339 119.950 0.368 0.000 2.371 282 F HA 0.270 4.796 4.527 -0.000 0.000 0.329 282 F C 1.262 177.346 175.800 0.472 0.000 1.107 282 F CA -0.787 57.464 58.000 0.417 0.000 1.137 282 F CB 1.012 40.362 39.000 0.584 0.000 1.214 282 F HN -0.024 nan 8.300 nan 0.000 0.536 283 S N 1.876 117.933 115.700 0.595 0.000 2.693 283 S HA 0.441 4.910 4.470 -0.000 0.000 0.276 283 S C -2.081 172.731 174.600 0.353 0.000 1.192 283 S CA -1.249 57.214 58.200 0.439 0.000 0.994 283 S CB 1.716 65.091 63.200 0.291 0.000 1.012 283 S HN 0.290 nan 8.310 nan 0.000 0.550 284 P HA -0.137 nan 4.420 nan 0.000 0.213 284 P C 1.718 178.973 177.300 -0.075 0.000 1.170 284 P CA 1.400 64.325 63.100 -0.292 0.000 0.902 284 P CB -0.119 31.335 31.700 -0.409 0.000 0.789 285 R N 0.133 120.648 120.500 0.024 0.000 2.113 285 R HA -0.194 4.145 4.340 -0.000 0.000 0.244 285 R C 1.720 178.082 176.300 0.104 0.000 1.142 285 R CA 2.244 58.373 56.100 0.049 0.000 0.953 285 R CB -1.390 28.948 30.300 0.063 0.000 0.860 285 R HN 0.106 nan 8.270 nan 0.000 0.438 286 D N -0.572 119.991 120.400 0.272 0.000 2.087 286 D HA -0.233 4.407 4.640 -0.000 0.000 0.192 286 D C 1.492 177.982 176.300 0.316 0.000 0.993 286 D CA 1.467 55.760 54.000 0.488 0.000 0.828 286 D CB -0.681 40.609 40.800 0.816 0.000 0.968 286 D HN 0.352 nan 8.370 nan 0.000 0.448 287 W N 1.740 123.094 121.300 0.090 0.000 2.331 287 W HA -0.265 4.395 4.660 -0.000 0.000 0.291 287 W C 2.121 178.503 176.519 -0.228 0.000 1.214 287 W CA 1.643 58.892 57.345 -0.160 0.000 1.228 287 W CB -0.199 29.156 29.460 -0.176 0.000 1.135 287 W HN 0.149 nan 8.180 nan 0.000 0.537 288 Q N 0.277 120.046 119.800 -0.052 0.000 1.990 288 Q HA -0.210 4.129 4.340 -0.000 0.000 0.200 288 Q C 2.451 178.320 176.000 -0.219 0.000 0.980 288 Q CA 1.743 57.508 55.803 -0.064 0.000 0.832 288 Q CB -0.314 28.484 28.738 0.101 0.000 0.897 288 Q HN 0.167 nan 8.270 nan 0.000 0.427 289 R N 0.104 120.451 120.500 -0.255 0.000 2.132 289 R HA -0.236 4.104 4.340 -0.000 0.000 0.233 289 R C 2.471 178.504 176.300 -0.445 0.000 1.125 289 R CA 1.833 57.654 56.100 -0.465 0.000 0.914 289 R CB -0.942 28.828 30.300 -0.883 0.000 0.845 289 R HN 0.316 nan 8.270 nan 0.000 0.431 290 L N 1.706 122.715 121.223 -0.356 0.000 2.010 290 L HA -0.224 4.116 4.340 -0.000 0.000 0.219 290 L C 2.099 178.758 176.870 -0.352 0.000 1.077 290 L CA 2.003 56.709 54.840 -0.223 0.000 0.773 290 L CB -0.521 41.303 42.059 -0.393 0.000 0.892 290 L HN 0.426 nan 8.230 nan 0.000 0.436 291 I N -3.849 116.415 120.570 -0.510 0.000 3.251 291 I HA 0.008 4.177 4.170 -0.000 0.000 0.277 291 I C 1.156 177.134 176.117 -0.231 0.000 1.268 291 I CA 1.062 62.112 61.300 -0.417 0.000 1.449 291 I CB -0.551 37.097 38.000 -0.586 0.000 1.083 291 I HN 0.236 nan 8.210 nan 0.000 0.464 292 N N 1.449 120.016 118.700 -0.222 0.000 2.280 292 N HA 0.085 4.825 4.740 -0.000 0.000 0.192 292 N C 0.412 175.858 175.510 -0.107 0.000 1.109 292 N CA 0.224 53.197 53.050 -0.129 0.000 0.855 292 N CB 0.163 38.569 38.487 -0.136 0.000 0.974 292 N HN 0.473 nan 8.380 nan 0.000 0.482 293 N N -0.390 118.229 118.700 -0.135 0.000 2.142 293 N HA 0.116 4.856 4.740 -0.000 0.000 0.233 293 N C -1.046 174.373 175.510 -0.152 0.000 1.335 293 N CA -0.064 52.897 53.050 -0.149 0.000 0.837 293 N CB 0.805 39.188 38.487 -0.172 0.000 1.238 293 N HN 0.109 nan 8.380 nan 0.000 0.501 294 N N 0.182 118.831 118.700 -0.084 0.000 2.371 294 N HA 0.158 4.898 4.740 -0.000 0.000 0.291 294 N C -0.572 175.021 175.510 0.138 0.000 1.053 294 N CA -0.409 52.620 53.050 -0.036 0.000 0.870 294 N CB 1.451 39.945 38.487 0.012 0.000 1.503 294 N HN 0.065 nan 8.380 nan 0.000 0.485 295 W N 1.836 123.123 121.300 -0.022 0.000 3.466 295 W HA 0.310 4.970 4.660 -0.000 0.000 0.323 295 W C 0.941 177.501 176.519 0.068 0.000 1.264 295 W CA -0.300 57.048 57.345 0.005 0.000 1.750 295 W CB -0.594 28.791 29.460 -0.126 0.000 1.040 295 W HN 0.698 nan 8.180 nan 0.000 0.742 296 G N 0.411 109.385 108.800 0.290 0.000 2.352 296 G HA2 0.406 4.366 3.960 -0.000 0.000 0.305 296 G HA3 0.406 4.366 3.960 -0.000 0.000 0.305 296 G C -1.245 173.922 174.900 0.445 0.000 1.537 296 G CA -0.659 44.646 45.100 0.342 0.000 0.959 296 G HN 0.056 nan 8.290 nan 0.000 0.668 297 M N -0.670 119.262 119.600 0.553 0.000 2.880 297 M HA 0.986 5.466 4.480 -0.000 0.000 0.269 297 M C -0.916 175.591 176.300 0.345 0.000 1.248 297 M CA -1.039 54.533 55.300 0.454 0.000 0.821 297 M CB 2.376 35.141 32.600 0.276 0.000 1.650 297 M HN 1.380 nan 8.290 nan 0.000 0.479 298 R N -1.508 119.043 120.500 0.085 0.000 2.833 298 R HA 0.580 4.920 4.340 -0.000 0.000 0.259 298 R C -3.483 172.589 176.300 -0.380 0.000 1.047 298 R CA -1.514 54.362 56.100 -0.374 0.000 0.916 298 R CB 1.063 30.943 30.300 -0.700 0.000 1.259 298 R HN 0.527 nan 8.270 nan 0.000 0.482 299 P HA 0.106 nan 4.420 nan 0.000 0.271 299 P C -0.980 175.732 177.300 -0.979 0.000 1.218 299 P CA -0.201 62.112 63.100 -1.310 0.000 0.780 299 P CB 1.900 32.201 31.700 -2.333 0.000 0.901 300 K N 1.560 121.529 120.400 -0.719 0.000 2.485 300 K HA 0.438 4.758 4.320 -0.000 0.000 0.200 300 K C -0.004 176.569 176.600 -0.044 0.000 1.344 300 K CA 0.245 56.366 56.287 -0.277 0.000 0.948 300 K CB 0.817 33.205 32.500 -0.187 0.000 1.454 300 K HN 0.581 nan 8.250 nan 0.000 0.502 301 A N 0.922 123.693 122.820 -0.081 0.000 2.594 301 A HA 0.672 4.992 4.320 -0.000 0.000 0.295 301 A C -1.687 175.875 177.584 -0.036 0.000 1.071 301 A CA -0.698 51.327 52.037 -0.019 0.000 0.685 301 A CB 1.464 20.394 19.000 -0.117 0.000 1.285 301 A HN 0.214 nan 8.150 nan 0.000 0.405 302 M N 1.395 120.986 119.600 -0.015 0.000 2.501 302 M HA 0.723 5.203 4.480 -0.000 0.000 0.293 302 M C -1.160 175.065 176.300 -0.125 0.000 1.192 302 M CA -0.543 54.705 55.300 -0.086 0.000 0.886 302 M CB 2.090 34.665 32.600 -0.042 0.000 1.710 302 M HN 0.891 nan 8.290 nan 0.000 0.457 303 R N 3.540 123.933 120.500 -0.178 0.000 2.533 303 R HA 0.740 5.080 4.340 -0.000 0.000 0.288 303 R C -2.518 173.666 176.300 -0.193 0.000 1.039 303 R CA -0.585 55.418 56.100 -0.162 0.000 0.909 303 R CB 1.956 32.173 30.300 -0.138 0.000 1.195 303 R HN 0.580 nan 8.270 nan 0.000 0.438 304 V N 3.925 123.737 119.914 -0.171 0.000 2.769 304 V HA 0.611 4.730 4.120 -0.000 0.000 0.312 304 V C -0.946 175.116 176.094 -0.053 0.000 1.061 304 V CA -0.741 61.471 62.300 -0.147 0.000 0.931 304 V CB 2.023 33.774 31.823 -0.120 0.000 1.010 304 V HN 0.914 nan 8.190 nan 0.000 0.433 305 K N 3.270 123.689 120.400 0.030 0.000 2.550 305 K HA 0.727 5.047 4.320 -0.000 0.000 0.252 305 K C -1.959 174.841 176.600 0.334 0.000 0.943 305 K CA -0.679 55.688 56.287 0.133 0.000 0.806 305 K CB 1.971 34.488 32.500 0.028 0.000 1.289 305 K HN 0.497 nan 8.250 nan 0.000 0.435 306 I N 4.088 124.889 120.570 0.384 0.000 2.460 306 I HA 0.666 4.836 4.170 -0.000 0.000 0.298 306 I C -0.608 175.856 176.117 0.578 0.000 0.989 306 I CA -0.878 60.632 61.300 0.350 0.000 1.173 306 I CB 1.038 39.100 38.000 0.102 0.000 1.338 306 I HN 0.826 nan 8.210 nan 0.000 0.456 307 F N 2.006 122.109 119.950 0.254 0.000 3.194 307 F HA 0.429 4.956 4.527 -0.000 0.000 0.327 307 F C -0.255 175.640 175.800 0.159 0.000 1.141 307 F CA -1.258 56.855 58.000 0.188 0.000 0.862 307 F CB 0.622 39.695 39.000 0.122 0.000 1.447 307 F HN 0.393 nan 8.300 nan 0.000 0.479 308 N N 0.704 119.570 118.700 0.276 0.000 2.735 308 N HA -0.142 4.598 4.740 -0.000 0.000 0.248 308 N C -0.575 174.932 175.510 -0.006 0.000 1.083 308 N CA 0.784 53.898 53.050 0.107 0.000 0.703 308 N CB -0.952 37.553 38.487 0.029 0.000 1.005 308 N HN 0.573 nan 8.380 nan 0.000 0.550 309 I N 0.947 121.563 120.570 0.077 0.000 2.826 309 I HA -0.122 4.048 4.170 -0.000 0.000 0.295 309 I C 0.953 177.063 176.117 -0.011 0.000 1.213 309 I CA 1.166 62.505 61.300 0.065 0.000 1.436 309 I CB 0.021 38.113 38.000 0.153 0.000 1.348 309 I HN 0.117 nan 8.210 nan 0.000 0.570 310 Q N 5.118 124.870 119.800 -0.080 0.000 2.275 310 Q HA 0.464 4.804 4.340 -0.000 0.000 0.266 310 Q C -1.205 174.715 176.000 -0.133 0.000 1.002 310 Q CA -0.551 55.188 55.803 -0.106 0.000 0.761 310 Q CB 2.851 31.501 28.738 -0.147 0.000 1.255 310 Q HN 0.391 nan 8.270 nan 0.000 0.446 311 V N 3.535 123.381 119.914 -0.114 0.000 2.394 311 V HA 0.385 4.505 4.120 -0.000 0.000 0.282 311 V C -0.183 175.775 176.094 -0.226 0.000 1.031 311 V CA -0.521 61.689 62.300 -0.150 0.000 0.881 311 V CB 1.252 33.029 31.823 -0.076 0.000 0.982 311 V HN 0.554 nan 8.190 nan 0.000 0.451 312 K N 4.316 124.469 120.400 -0.411 0.000 2.259 312 K HA 0.551 4.871 4.320 -0.000 0.000 0.252 312 K C -0.462 175.940 176.600 -0.330 0.000 0.936 312 K CA -0.623 55.386 56.287 -0.463 0.000 0.810 312 K CB 2.884 34.859 32.500 -0.876 0.000 1.143 312 K HN 0.919 nan 8.250 nan 0.000 0.427 313 E N 0.506 120.615 120.200 -0.153 0.000 2.165 313 E HA 0.334 4.684 4.350 -0.000 0.000 0.266 313 E C -0.334 176.274 176.600 0.015 0.000 0.889 313 E CA -0.998 55.377 56.400 -0.041 0.000 0.756 313 E CB 1.586 31.278 29.700 -0.014 0.000 1.131 313 E HN 0.305 nan 8.360 nan 0.000 0.411 314 V N 1.427 121.389 119.914 0.079 0.000 2.743 314 V HA 0.668 4.788 4.120 -0.000 0.000 0.301 314 V C -0.427 175.708 176.094 0.068 0.000 1.057 314 V CA -0.172 62.188 62.300 0.099 0.000 1.006 314 V CB 1.633 33.544 31.823 0.146 0.000 1.024 314 V HN 0.768 nan 8.190 nan 0.000 0.473 315 T N 3.010 117.597 114.554 0.055 0.000 3.008 315 T HA 0.334 4.684 4.350 -0.000 0.000 0.328 315 T C -0.165 174.556 174.700 0.036 0.000 1.020 315 T CA -0.188 61.936 62.100 0.041 0.000 1.043 315 T CB 0.664 69.551 68.868 0.031 0.000 1.010 315 T HN 0.956 nan 8.240 nan 0.000 0.466 316 T N 3.512 118.087 114.554 0.034 0.000 2.769 316 T HA 0.242 4.591 4.350 -0.000 0.000 0.293 316 T C 0.916 175.628 174.700 0.021 0.000 0.931 316 T CA -0.013 62.102 62.100 0.027 0.000 1.139 316 T CB 0.443 69.326 68.868 0.024 0.000 0.881 316 T HN 0.432 nan 8.240 nan 0.000 0.532 317 S N 2.928 118.638 115.700 0.018 0.000 2.626 317 S HA 0.077 4.546 4.470 -0.000 0.000 0.257 317 S C 1.852 176.458 174.600 0.011 0.000 1.288 317 S CA -0.965 57.243 58.200 0.014 0.000 0.980 317 S CB 0.323 63.530 63.200 0.012 0.000 0.975 317 S HN 0.725 nan 8.310 nan 0.000 0.577 318 N N 1.033 119.739 118.700 0.009 0.000 2.096 318 N HA -0.162 4.577 4.740 -0.000 0.000 0.195 318 N C 1.453 176.967 175.510 0.007 0.000 1.017 318 N CA 1.741 54.796 53.050 0.007 0.000 0.870 318 N CB -0.667 37.824 38.487 0.006 0.000 1.024 318 N HN 0.655 nan 8.380 nan 0.000 0.434 319 G N 0.452 109.256 108.800 0.007 0.000 2.598 319 G HA2 0.057 4.017 3.960 -0.000 0.000 0.225 319 G HA3 0.057 4.017 3.960 -0.000 0.000 0.225 319 G C 0.378 175.281 174.900 0.006 0.000 1.631 319 G CA 0.051 45.154 45.100 0.006 0.000 0.821 319 G HN 0.035 nan 8.290 nan 0.000 0.610 320 E N 0.718 120.922 120.200 0.007 0.000 2.235 320 E HA 0.427 4.777 4.350 -0.000 0.000 0.265 320 E C -0.031 176.577 176.600 0.012 0.000 0.940 320 E CA -0.425 55.979 56.400 0.008 0.000 0.819 320 E CB 1.512 31.215 29.700 0.005 0.000 1.206 320 E HN 0.355 nan 8.360 nan 0.000 0.409 321 T N -1.017 113.545 114.554 0.014 0.000 2.937 321 T HA 0.236 4.586 4.350 -0.000 0.000 0.316 321 T C 0.397 175.112 174.700 0.025 0.000 1.079 321 T CA -0.387 61.726 62.100 0.022 0.000 1.131 321 T CB 0.520 69.401 68.868 0.022 0.000 1.000 321 T HN 0.388 nan 8.240 nan 0.000 0.549 322 T N 0.734 115.308 114.554 0.033 0.000 2.921 322 T HA 0.537 4.887 4.350 -0.000 0.000 0.297 322 T C -1.033 173.695 174.700 0.047 0.000 1.013 322 T CA -0.786 61.334 62.100 0.033 0.000 0.990 322 T CB 1.635 70.517 68.868 0.024 0.000 1.023 322 T HN 0.829 nan 8.240 nan 0.000 0.447 323 V N 3.517 123.462 119.914 0.053 0.000 2.581 323 V HA 0.962 5.082 4.120 -0.000 0.000 0.303 323 V C -0.233 175.874 176.094 0.021 0.000 1.041 323 V CA -0.131 62.206 62.300 0.062 0.000 0.907 323 V CB 1.303 33.201 31.823 0.124 0.000 0.994 323 V HN 1.409 nan 8.190 nan 0.000 0.442 324 A N 4.722 127.539 122.820 -0.005 0.000 2.556 324 A HA 0.675 4.995 4.320 -0.000 0.000 0.294 324 A C -0.794 176.755 177.584 -0.060 0.000 1.091 324 A CA -0.879 51.143 52.037 -0.024 0.000 0.704 324 A CB 1.481 20.475 19.000 -0.011 0.000 1.300 324 A HN 0.730 nan 8.150 nan 0.000 0.406 325 N N 2.192 120.859 118.700 -0.055 0.000 2.411 325 N HA 0.093 4.832 4.740 -0.000 0.000 0.259 325 N C -0.956 174.522 175.510 -0.053 0.000 1.103 325 N CA 0.073 53.081 53.050 -0.070 0.000 0.954 325 N CB 0.855 39.310 38.487 -0.054 0.000 1.085 325 N HN 0.619 nan 8.380 nan 0.000 0.485 326 N N 4.293 122.954 118.700 -0.064 0.000 2.645 326 N HA 0.143 4.882 4.740 -0.000 0.000 0.233 326 N C 1.223 176.714 175.510 -0.032 0.000 1.058 326 N CA -0.260 52.766 53.050 -0.039 0.000 0.942 326 N CB 0.264 38.728 38.487 -0.038 0.000 1.210 326 N HN 0.469 nan 8.380 nan 0.000 0.512 327 L N 1.346 122.557 121.223 -0.020 0.000 1.989 327 L HA -0.184 4.156 4.340 -0.000 0.000 0.211 327 L C 2.204 179.073 176.870 -0.001 0.000 1.071 327 L CA 1.753 56.587 54.840 -0.011 0.000 0.749 327 L CB -0.943 41.114 42.059 -0.004 0.000 0.890 327 L HN 0.563 nan 8.230 nan 0.000 0.431 328 T N -3.621 110.935 114.554 0.003 0.000 3.163 328 T HA -0.038 4.312 4.350 -0.000 0.000 0.260 328 T C 1.003 175.709 174.700 0.011 0.000 1.156 328 T CA 0.179 62.285 62.100 0.010 0.000 1.072 328 T CB -0.186 68.689 68.868 0.013 0.000 0.937 328 T HN 0.145 nan 8.240 nan 0.000 0.528 329 S N 1.790 117.491 115.700 0.002 0.000 2.576 329 S HA 0.434 4.904 4.470 -0.000 0.000 0.276 329 S C 0.330 174.935 174.600 0.008 0.000 1.339 329 S CA -0.344 57.857 58.200 0.001 0.000 1.039 329 S CB 0.644 63.836 63.200 -0.013 0.000 0.902 329 S HN 0.739 nan 8.310 nan 0.000 0.516 330 T N 1.537 116.097 114.554 0.010 0.000 2.940 330 T HA 0.700 5.050 4.350 -0.000 0.000 0.288 330 T C -0.730 173.977 174.700 0.012 0.000 1.033 330 T CA -0.725 61.388 62.100 0.022 0.000 1.033 330 T CB 1.452 70.338 68.868 0.031 0.000 1.079 330 T HN 0.570 nan 8.240 nan 0.000 0.496 331 V N 2.050 121.984 119.914 0.033 0.000 2.789 331 V HA 0.574 4.693 4.120 -0.000 0.000 0.311 331 V C -1.203 174.914 176.094 0.038 0.000 1.073 331 V CA -0.659 61.652 62.300 0.018 0.000 0.921 331 V CB 2.170 34.033 31.823 0.066 0.000 1.009 331 V HN 1.106 nan 8.190 nan 0.000 0.426 332 Q N 5.216 125.019 119.800 0.004 0.000 2.266 332 Q HA 0.744 5.084 4.340 -0.000 0.000 0.261 332 Q C -1.259 174.872 176.000 0.218 0.000 0.985 332 Q CA -0.572 55.304 55.803 0.122 0.000 0.873 332 Q CB 2.851 31.686 28.738 0.161 0.000 1.306 332 Q HN 0.676 nan 8.270 nan 0.000 0.447 333 I N 1.816 122.525 120.570 0.232 0.000 2.894 333 I HA 0.633 4.803 4.170 -0.000 0.000 0.302 333 I C -1.195 175.010 176.117 0.147 0.000 1.188 333 I CA -1.095 60.228 61.300 0.038 0.000 1.014 333 I CB 2.005 39.714 38.000 -0.485 0.000 1.242 333 I HN 0.690 nan 8.210 nan 0.000 0.430 334 F N 2.928 122.779 119.950 -0.164 0.000 2.740 334 F HA 0.783 5.309 4.527 -0.001 0.000 0.312 334 F C -1.797 173.990 175.800 -0.021 0.000 1.121 334 F CA -0.872 57.110 58.000 -0.029 0.000 0.977 334 F CB 0.679 39.699 39.000 0.033 0.000 1.265 334 F HN 0.454 nan 8.300 nan 0.000 0.443 335 A N 2.327 125.217 122.820 0.118 0.000 2.303 335 A HA 0.527 4.846 4.320 -0.000 0.000 0.320 335 A C -1.068 176.545 177.584 0.048 0.000 1.192 335 A CA -0.478 51.509 52.037 -0.084 0.000 0.821 335 A CB 0.842 19.874 19.000 0.054 0.000 1.188 335 A HN 0.805 nan 8.150 nan 0.000 0.492 336 D N 2.679 123.022 120.400 -0.094 0.000 2.498 336 D HA 0.139 4.778 4.640 -0.000 0.000 0.229 336 D C 0.979 177.162 176.300 -0.195 0.000 1.188 336 D CA 0.540 54.572 54.000 0.054 0.000 1.028 336 D CB 0.008 40.846 40.800 0.062 0.000 1.087 336 D HN 0.326 nan 8.370 nan 0.000 0.510 337 S N 0.394 116.014 115.700 -0.133 0.000 2.575 337 S HA 0.022 4.491 4.470 -0.000 0.000 0.215 337 S C 1.330 175.812 174.600 -0.196 0.000 0.966 337 S CA -0.444 57.589 58.200 -0.278 0.000 0.911 337 S CB 0.360 63.505 63.200 -0.093 0.000 0.780 337 S HN 0.215 nan 8.310 nan 0.000 0.514 338 S N 0.560 116.219 115.700 -0.069 0.000 2.540 338 S HA 0.258 4.728 4.470 -0.000 0.000 0.218 338 S C -0.386 174.335 174.600 0.202 0.000 0.977 338 S CA -0.629 57.622 58.200 0.086 0.000 0.918 338 S CB -0.591 62.638 63.200 0.049 0.000 0.806 338 S HN 0.537 nan 8.310 nan 0.000 0.496 339 Y N 1.021 121.332 120.300 0.018 0.000 3.491 339 Y HA -0.202 4.348 4.550 -0.001 0.000 0.215 339 Y C 0.592 176.474 175.900 -0.029 0.000 1.219 339 Y CA 0.278 58.376 58.100 -0.003 0.000 1.485 339 Y CB -2.099 36.334 38.460 -0.045 0.000 1.450 339 Y HN 0.206 nan 8.280 nan 0.000 0.603 340 E N 1.607 121.859 120.200 0.087 0.000 2.282 340 E HA 0.681 5.031 4.350 -0.000 0.000 0.247 340 E C -0.809 175.731 176.600 -0.099 0.000 1.113 340 E CA -0.002 56.407 56.400 0.015 0.000 1.095 340 E CB -0.059 29.675 29.700 0.056 0.000 1.328 340 E HN 0.419 nan 8.360 nan 0.000 0.463 341 L N 2.261 123.337 121.223 -0.245 0.000 3.077 341 L HA 0.242 4.582 4.340 -0.000 0.000 0.254 341 L C -2.465 174.262 176.870 -0.239 0.000 0.959 341 L CA -1.772 52.782 54.840 -0.477 0.000 1.030 341 L CB 1.960 43.816 42.059 -0.338 0.000 1.679 341 L HN 0.217 nan 8.230 nan 0.000 0.468 342 P HA -0.071 nan 4.420 nan 0.000 0.260 342 P C -1.315 176.092 177.300 0.178 0.000 1.172 342 P CA 0.317 63.418 63.100 0.002 0.000 0.760 342 P CB 0.058 31.767 31.700 0.015 0.000 0.773 343 Y N 3.910 124.260 120.300 0.083 0.000 2.365 343 Y HA 0.184 4.734 4.550 -0.000 0.000 0.340 343 Y C 1.022 176.991 175.900 0.115 0.000 1.016 343 Y CA 0.167 58.328 58.100 0.101 0.000 1.196 343 Y CB 0.655 39.192 38.460 0.128 0.000 1.167 343 Y HN 0.139 nan 8.280 nan 0.000 0.509 344 V N 6.356 126.099 119.914 -0.286 0.000 3.570 344 V HA -0.111 4.009 4.120 -0.000 0.000 0.257 344 V C 1.902 177.852 176.094 -0.240 0.000 1.272 344 V CA 0.569 62.767 62.300 -0.169 0.000 1.079 344 V CB 0.021 31.784 31.823 -0.099 0.000 0.829 344 V HN 0.899 nan 8.190 nan 0.000 0.454 345 M N 1.574 120.855 119.600 -0.530 0.000 2.623 345 M HA -0.140 4.340 4.480 -0.000 0.000 0.258 345 M C 1.243 177.477 176.300 -0.109 0.000 1.067 345 M CA 1.529 56.664 55.300 -0.274 0.000 1.068 345 M CB -0.133 32.286 32.600 -0.302 0.000 1.409 345 M HN 0.576 nan 8.290 nan 0.000 0.504 346 D N -1.346 119.052 120.400 -0.003 0.000 2.440 346 D HA 0.105 4.744 4.640 -0.000 0.000 0.216 346 D C 0.853 177.197 176.300 0.074 0.000 1.150 346 D CA 0.200 54.262 54.000 0.102 0.000 0.832 346 D CB -0.176 40.820 40.800 0.326 0.000 0.992 346 D HN 0.219 nan 8.370 nan 0.000 0.502 347 A N 0.473 123.318 122.820 0.042 0.000 2.302 347 A HA 0.527 4.847 4.320 -0.000 0.000 0.219 347 A C 1.750 179.345 177.584 0.018 0.000 1.243 347 A CA 0.197 52.259 52.037 0.042 0.000 0.856 347 A CB -0.949 18.074 19.000 0.038 0.000 0.893 347 A HN 0.531 nan 8.150 nan 0.000 0.491 348 G N -0.411 108.390 108.800 0.003 0.000 2.273 348 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.280 348 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.280 348 G C 0.010 174.904 174.900 -0.009 0.000 1.047 348 G CA 0.642 45.738 45.100 -0.006 0.000 0.869 348 G HN 0.695 nan 8.290 nan 0.000 0.502 349 Q N -0.620 119.175 119.800 -0.008 0.000 2.194 349 Q HA 0.541 4.881 4.340 -0.000 0.000 0.245 349 Q C 0.509 176.501 176.000 -0.014 0.000 0.993 349 Q CA -0.886 54.914 55.803 -0.004 0.000 0.930 349 Q CB 1.373 30.119 28.738 0.014 0.000 1.238 349 Q HN 0.593 nan 8.270 nan 0.000 0.486 350 E N -0.744 119.447 120.200 -0.015 0.000 2.397 350 E HA 0.280 4.629 4.350 -0.000 0.000 0.254 350 E C 0.318 176.873 176.600 -0.074 0.000 1.231 350 E CA 0.466 56.847 56.400 -0.031 0.000 0.954 350 E CB 0.310 29.998 29.700 -0.021 0.000 1.024 350 E HN 0.891 nan 8.360 nan 0.000 0.481 351 G N 0.233 108.961 108.800 -0.120 0.000 2.284 351 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.201 351 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.201 351 G C 0.371 175.066 174.900 -0.341 0.000 0.998 351 G CA 0.111 45.073 45.100 -0.230 0.000 0.651 351 G HN 0.534 nan 8.290 nan 0.000 0.489 352 S N 1.072 116.609 115.700 -0.271 0.000 2.612 352 S HA 0.643 5.113 4.470 -0.000 0.000 0.253 352 S C 0.875 175.203 174.600 -0.454 0.000 1.346 352 S CA -0.369 57.644 58.200 -0.312 0.000 0.976 352 S CB 0.690 63.781 63.200 -0.181 0.000 0.949 352 S HN 0.609 nan 8.310 nan 0.000 0.584 353 L N 0.933 121.895 121.223 -0.436 0.000 2.464 353 L HA 0.352 4.692 4.340 -0.000 0.000 0.264 353 L C -2.308 174.410 176.870 -0.253 0.000 1.199 353 L CA -1.969 52.524 54.840 -0.578 0.000 0.818 353 L CB -0.511 41.386 42.059 -0.269 0.000 1.102 353 L HN 0.361 nan 8.230 nan 0.000 0.473 354 P HA 0.142 nan 4.420 nan 0.000 0.272 354 P C -2.181 175.109 177.300 -0.016 0.000 1.223 354 P CA -1.068 62.027 63.100 -0.008 0.000 0.784 354 P CB 0.318 32.102 31.700 0.140 0.000 0.923 355 P HA -0.028 nan 4.420 nan 0.000 0.218 355 P C 0.093 177.442 177.300 0.081 0.000 1.152 355 P CA 0.796 63.849 63.100 -0.078 0.000 0.826 355 P CB 0.032 31.614 31.700 -0.197 0.000 0.790 356 F N 0.843 120.733 119.950 -0.099 0.000 2.471 356 F HA 0.201 4.728 4.527 -0.000 0.000 0.365 356 F C -1.520 174.261 175.800 -0.030 0.000 1.095 356 F CA -2.695 55.152 58.000 -0.255 0.000 1.174 356 F CB 0.438 39.225 39.000 -0.355 0.000 1.105 356 F HN -0.053 nan 8.300 nan 0.000 0.535 357 P HA -0.279 nan 4.420 nan 0.000 0.218 357 P C 0.557 177.874 177.300 0.028 0.000 1.154 357 P CA 1.564 64.588 63.100 -0.127 0.000 0.872 357 P CB 0.048 31.651 31.700 -0.161 0.000 0.790 358 N N -0.093 118.472 118.700 -0.225 0.000 2.597 358 N HA -0.018 4.722 4.740 -0.000 0.000 0.269 358 N C -0.865 174.804 175.510 0.265 0.000 1.204 358 N CA 0.046 53.131 53.050 0.058 0.000 0.947 358 N CB -0.389 38.086 38.487 -0.020 0.000 1.258 358 N HN -0.045 nan 8.380 nan 0.000 0.508 359 D N 0.614 121.195 120.400 0.301 0.000 2.408 359 D HA 0.219 4.859 4.640 -0.000 0.000 0.243 359 D C -0.209 176.263 176.300 0.286 0.000 1.075 359 D CA -0.333 53.849 54.000 0.304 0.000 0.832 359 D CB 2.556 43.551 40.800 0.326 0.000 1.162 359 D HN -0.085 nan 8.370 nan 0.000 0.515 360 V N 3.527 123.566 119.914 0.208 0.000 2.686 360 V HA 0.370 4.490 4.120 -0.000 0.000 0.295 360 V C 0.175 176.399 176.094 0.216 0.000 1.055 360 V CA -0.216 62.179 62.300 0.158 0.000 1.050 360 V CB 0.132 31.985 31.823 0.051 0.000 0.984 360 V HN 0.400 nan 8.190 nan 0.000 0.482 361 F N 2.477 122.499 119.950 0.120 0.000 2.603 361 F HA 0.770 5.296 4.527 -0.001 0.000 0.317 361 F C -0.551 175.305 175.800 0.094 0.000 1.066 361 F CA -1.555 56.502 58.000 0.094 0.000 0.941 361 F CB 1.973 41.026 39.000 0.088 0.000 1.291 361 F HN 0.427 nan 8.300 nan 0.000 0.472 362 M N 3.445 123.171 119.600 0.209 0.000 2.188 362 M HA 0.507 4.987 4.480 -0.000 0.000 0.357 362 M C -1.173 175.233 176.300 0.177 0.000 1.204 362 M CA -0.844 54.511 55.300 0.092 0.000 1.095 362 M CB 1.396 34.053 32.600 0.096 0.000 1.604 362 M HN 0.612 nan 8.290 nan 0.000 0.464 363 V N 7.487 127.393 119.914 -0.014 0.000 2.572 363 V HA 0.202 4.321 4.120 -0.000 0.000 0.291 363 V C -2.086 173.973 176.094 -0.058 0.000 1.039 363 V CA -1.178 61.036 62.300 -0.144 0.000 1.055 363 V CB 0.376 31.923 31.823 -0.460 0.000 0.969 363 V HN 0.749 nan 8.190 nan 0.000 0.482 364 P HA 0.133 nan 4.420 nan 0.000 0.270 364 P C -0.692 176.728 177.300 0.200 0.000 1.223 364 P CA -0.274 62.742 63.100 -0.141 0.000 0.785 364 P CB 0.438 31.790 31.700 -0.581 0.000 0.923 365 Q N 1.364 121.307 119.800 0.239 0.000 2.256 365 Q HA 0.207 4.547 4.340 -0.000 0.000 0.254 365 Q C -1.223 175.077 176.000 0.501 0.000 0.916 365 Q CA -0.656 55.311 55.803 0.273 0.000 0.932 365 Q CB 0.334 28.759 28.738 -0.522 0.000 1.207 365 Q HN 0.354 nan 8.270 nan 0.000 0.426 366 Y N 2.616 123.177 120.300 0.433 0.000 2.335 366 Y HA 0.556 5.106 4.550 -0.000 0.000 0.331 366 Y C -0.201 175.794 175.900 0.159 0.000 1.094 366 Y CA 0.195 58.446 58.100 0.251 0.000 1.253 366 Y CB 1.100 39.714 38.460 0.257 0.000 1.203 366 Y HN 0.651 nan 8.280 nan 0.000 0.508 367 G N 5.343 113.865 108.800 -0.462 0.000 2.733 367 G HA2 0.511 4.471 3.960 -0.000 0.000 0.297 367 G HA3 0.511 4.471 3.960 -0.000 0.000 0.297 367 G C -2.352 172.290 174.900 -0.430 0.000 1.422 367 G CA -0.827 44.014 45.100 -0.432 0.000 0.942 367 G HN 0.765 nan 8.290 nan 0.000 0.510 368 Y N -1.580 118.539 120.300 -0.302 0.000 2.581 368 Y HA 0.770 5.319 4.550 -0.000 0.000 0.345 368 Y C -0.206 175.727 175.900 0.055 0.000 1.036 368 Y CA -1.747 56.270 58.100 -0.137 0.000 1.042 368 Y CB 0.830 39.218 38.460 -0.120 0.000 1.289 368 Y HN 0.582 nan 8.280 nan 0.000 0.471 369 C N 1.346 120.794 119.300 0.248 0.000 2.397 369 C HA 0.926 5.386 4.460 -0.000 0.000 0.343 369 C C 1.024 176.210 174.990 0.327 0.000 1.188 369 C CA -0.079 59.071 59.018 0.220 0.000 1.992 369 C CB 0.910 28.739 27.740 0.148 0.000 2.358 369 C HN 1.158 nan 8.230 nan 0.000 0.518 370 G N 0.440 109.411 108.800 0.286 0.000 2.671 370 G HA2 0.627 4.587 3.960 -0.000 0.000 0.275 370 G HA3 0.627 4.587 3.960 -0.000 0.000 0.275 370 G C -0.597 174.424 174.900 0.202 0.000 1.368 370 G CA -0.740 44.531 45.100 0.285 0.000 1.044 370 G HN 1.018 nan 8.290 nan 0.000 0.543 371 L N -0.762 120.564 121.223 0.171 0.000 2.371 371 L HA 0.731 5.071 4.340 -0.000 0.000 0.272 371 L C -0.844 176.086 176.870 0.100 0.000 1.124 371 L CA -0.811 54.108 54.840 0.131 0.000 0.816 371 L CB 1.493 43.625 42.059 0.120 0.000 1.129 371 L HN 0.141 nan 8.230 nan 0.000 0.448 372 V N 2.938 122.904 119.914 0.087 0.000 2.333 372 V HA 0.250 4.370 4.120 -0.000 0.000 0.274 372 V C 0.283 176.404 176.094 0.044 0.000 1.028 372 V CA -0.298 62.037 62.300 0.058 0.000 0.851 372 V CB 0.960 32.819 31.823 0.060 0.000 1.000 372 V HN 0.913 nan 8.190 nan 0.000 0.456 373 T N 3.720 118.292 114.554 0.030 0.000 2.727 373 T HA 0.682 5.032 4.350 -0.000 0.000 0.298 373 T C 0.621 175.324 174.700 0.005 0.000 0.942 373 T CA 0.362 62.476 62.100 0.023 0.000 0.997 373 T CB 0.921 69.802 68.868 0.022 0.000 0.917 373 T HN 1.416 nan 8.240 nan 0.000 0.487 374 G N 3.254 112.056 108.800 0.003 0.000 2.466 374 G HA2 -0.089 3.870 3.960 -0.000 0.000 0.316 374 G HA3 -0.089 3.870 3.960 -0.000 0.000 0.316 374 G C -0.266 174.620 174.900 -0.022 0.000 1.270 374 G CA -0.282 44.809 45.100 -0.015 0.000 0.982 374 G HN 0.871 nan 8.290 nan 0.000 0.506 375 N N -1.657 117.016 118.700 -0.045 0.000 2.193 375 N HA 0.171 4.911 4.740 -0.000 0.000 0.236 375 N C 0.759 176.222 175.510 -0.078 0.000 1.347 375 N CA 0.921 53.932 53.050 -0.065 0.000 0.812 375 N CB 0.812 39.238 38.487 -0.101 0.000 1.297 375 N HN 0.554 nan 8.380 nan 0.000 0.499 376 T N -0.599 113.916 114.554 -0.064 0.000 3.238 376 T HA 0.185 4.535 4.350 -0.000 0.000 0.242 376 T C 0.363 175.024 174.700 -0.065 0.000 0.980 376 T CA 0.380 62.440 62.100 -0.066 0.000 1.235 376 T CB 0.209 69.041 68.868 -0.059 0.000 1.069 376 T HN 0.171 nan 8.240 nan 0.000 0.407 377 S N 1.412 117.076 115.700 -0.060 0.000 2.565 377 S HA 0.297 4.767 4.470 -0.000 0.000 0.290 377 S C 0.735 175.288 174.600 -0.078 0.000 1.150 377 S CA -0.654 57.504 58.200 -0.070 0.000 1.058 377 S CB 1.594 64.759 63.200 -0.059 0.000 1.032 377 S HN 0.405 nan 8.310 nan 0.000 0.510 378 Q N 2.563 122.295 119.800 -0.112 0.000 2.444 378 Q HA 0.201 4.541 4.340 -0.000 0.000 0.206 378 Q C 0.330 176.268 176.000 -0.104 0.000 0.948 378 Q CA 0.575 56.294 55.803 -0.140 0.000 0.946 378 Q CB -0.384 28.206 28.738 -0.247 0.000 1.027 378 Q HN 0.690 nan 8.270 nan 0.000 0.513 379 Q N 1.297 121.049 119.800 -0.081 0.000 2.326 379 Q HA -0.066 4.274 4.340 -0.000 0.000 0.314 379 Q C -0.637 175.341 176.000 -0.037 0.000 1.091 379 Q CA 0.801 56.568 55.803 -0.060 0.000 0.974 379 Q CB 0.407 29.117 28.738 -0.046 0.000 1.220 379 Q HN 0.463 nan 8.270 nan 0.000 0.398 380 Q N 0.936 120.721 119.800 -0.026 0.000 2.266 380 Q HA 0.417 4.757 4.340 -0.000 0.000 0.261 380 Q C -0.511 175.498 176.000 0.016 0.000 0.985 380 Q CA -0.585 55.221 55.803 0.005 0.000 0.873 380 Q CB 1.790 30.536 28.738 0.013 0.000 1.306 380 Q HN 0.508 nan 8.270 nan 0.000 0.447 381 T N -0.711 113.863 114.554 0.032 0.000 2.888 381 T HA 0.114 4.464 4.350 -0.000 0.000 0.283 381 T C 0.346 175.069 174.700 0.039 0.000 1.013 381 T CA -0.767 61.352 62.100 0.031 0.000 0.938 381 T CB 0.374 69.262 68.868 0.034 0.000 1.298 381 T HN 0.485 nan 8.240 nan 0.000 0.580 382 D N -0.043 120.377 120.400 0.034 0.000 2.371 382 D HA 0.005 4.645 4.640 -0.000 0.000 0.221 382 D C 1.880 178.205 176.300 0.041 0.000 0.986 382 D CA 0.563 54.583 54.000 0.034 0.000 0.899 382 D CB 0.154 40.970 40.800 0.026 0.000 0.902 382 D HN 0.354 nan 8.370 nan 0.000 0.530 383 R N 0.300 120.831 120.500 0.050 0.000 2.112 383 R HA 0.052 4.391 4.340 -0.000 0.000 0.216 383 R C 0.781 177.125 176.300 0.074 0.000 1.080 383 R CA -0.118 56.018 56.100 0.060 0.000 0.996 383 R CB 0.104 30.444 30.300 0.066 0.000 0.902 383 R HN 0.063 nan 8.270 nan 0.000 0.449 384 N N 1.295 120.049 118.700 0.089 0.000 2.294 384 N HA -0.030 4.710 4.740 -0.000 0.000 0.248 384 N C -0.655 174.919 175.510 0.105 0.000 1.242 384 N CA 0.788 53.914 53.050 0.127 0.000 0.848 384 N CB 0.774 39.346 38.487 0.141 0.000 1.084 384 N HN 0.200 nan 8.380 nan 0.000 0.457 385 A N 1.714 124.588 122.820 0.091 0.000 2.413 385 A HA 0.626 4.946 4.320 -0.000 0.000 0.307 385 A C -1.226 176.274 177.584 -0.140 0.000 1.087 385 A CA -0.663 51.313 52.037 -0.101 0.000 0.750 385 A CB 1.230 20.040 19.000 -0.317 0.000 1.296 385 A HN 0.517 nan 8.150 nan 0.000 0.423 386 F N 1.621 121.289 119.950 -0.470 0.000 2.467 386 F HA 0.716 5.242 4.527 -0.000 0.000 0.336 386 F C -1.605 173.833 175.800 -0.603 0.000 1.123 386 F CA -1.443 56.178 58.000 -0.631 0.000 0.964 386 F CB 0.851 39.444 39.000 -0.678 0.000 1.136 386 F HN 0.493 nan 8.300 nan 0.000 0.447 387 Y N 5.094 124.910 120.300 -0.808 0.000 2.341 387 Y HA 0.468 5.017 4.550 -0.000 0.000 0.337 387 Y C -0.060 175.224 175.900 -1.026 0.000 1.014 387 Y CA -0.785 56.866 58.100 -0.748 0.000 1.111 387 Y CB 1.544 39.725 38.460 -0.465 0.000 1.194 387 Y HN 0.763 nan 8.280 nan 0.000 0.462 388 C N 5.992 124.924 119.300 -0.613 0.000 2.281 388 C HA 0.380 4.839 4.460 -0.000 0.000 0.323 388 C C 1.233 176.255 174.990 0.054 0.000 1.270 388 C CA -0.690 58.076 59.018 -0.420 0.000 1.559 388 C CB -0.920 26.546 27.740 -0.457 0.000 2.239 388 C HN 1.039 nan 8.230 nan 0.000 0.488 389 L N 3.888 125.171 121.223 0.099 0.000 2.362 389 L HA -0.017 4.323 4.340 -0.000 0.000 0.219 389 L C 2.030 178.884 176.870 -0.027 0.000 1.134 389 L CA 1.360 56.006 54.840 -0.322 0.000 0.807 389 L CB -0.493 40.990 42.059 -0.960 0.000 0.927 389 L HN 0.769 nan 8.230 nan 0.000 0.447 390 E N -0.883 119.516 120.200 0.332 0.000 2.371 390 E HA -0.175 4.174 4.350 -0.000 0.000 0.194 390 E C 1.186 177.945 176.600 0.266 0.000 1.012 390 E CA 0.443 57.051 56.400 0.347 0.000 0.860 390 E CB -0.234 29.688 29.700 0.369 0.000 0.811 390 E HN 0.514 nan 8.360 nan 0.000 0.502 391 Y N 0.263 120.639 120.300 0.126 0.000 2.740 391 Y HA 0.158 4.707 4.550 -0.000 0.000 0.356 391 Y C -0.630 175.246 175.900 -0.041 0.000 1.101 391 Y CA -0.465 57.655 58.100 0.033 0.000 1.477 391 Y CB -0.272 38.172 38.460 -0.025 0.000 1.296 391 Y HN -0.253 nan 8.280 nan 0.000 0.507 392 F N 0.032 119.768 119.950 -0.357 0.000 2.613 392 F HA 0.484 5.011 4.527 -0.000 0.000 0.314 392 F C -2.490 173.032 175.800 -0.463 0.000 1.075 392 F CA -2.991 54.675 58.000 -0.557 0.000 0.945 392 F CB 1.225 39.620 39.000 -1.009 0.000 1.310 392 F HN -0.074 nan 8.300 nan 0.000 0.467 393 P HA 0.383 nan 4.420 nan 0.000 0.287 393 P C -1.330 175.920 177.300 -0.084 0.000 1.307 393 P CA -0.235 62.798 63.100 -0.112 0.000 0.777 393 P CB 1.127 32.779 31.700 -0.080 0.000 0.883 394 S N 1.901 117.600 115.700 -0.001 0.000 2.621 394 S HA 0.427 4.897 4.470 -0.000 0.000 0.302 394 S C -0.718 173.996 174.600 0.191 0.000 1.093 394 S CA -0.848 57.444 58.200 0.153 0.000 1.017 394 S CB 1.552 64.920 63.200 0.280 0.000 1.077 394 S HN 0.392 nan 8.310 nan 0.000 0.517 395 Q N 1.974 121.920 119.800 0.243 0.000 2.290 395 Q HA 0.381 4.721 4.340 -0.000 0.000 0.259 395 Q C -1.133 174.974 176.000 0.180 0.000 0.941 395 Q CA -0.493 55.435 55.803 0.208 0.000 0.912 395 Q CB 0.657 29.560 28.738 0.276 0.000 1.244 395 Q HN 0.611 nan 8.270 nan 0.000 0.441 396 M N 4.223 123.907 119.600 0.141 0.000 2.233 396 M HA 0.363 4.843 4.480 -0.000 0.000 0.355 396 M C -0.968 175.399 176.300 0.112 0.000 1.191 396 M CA -0.614 54.755 55.300 0.115 0.000 1.101 396 M CB 0.580 33.233 32.600 0.089 0.000 1.592 396 M HN 0.413 nan 8.290 nan 0.000 0.461 397 L N 2.981 124.267 121.223 0.105 0.000 2.354 397 L HA 0.658 4.998 4.340 -0.000 0.000 0.264 397 L C -0.083 176.838 176.870 0.086 0.000 1.008 397 L CA -0.428 54.478 54.840 0.109 0.000 0.819 397 L CB 2.117 44.261 42.059 0.142 0.000 1.339 397 L HN 0.653 nan 8.230 nan 0.000 0.420 398 R N -0.681 119.868 120.500 0.081 0.000 2.930 398 R HA 0.705 5.045 4.340 -0.000 0.000 0.257 398 R C -0.883 175.457 176.300 0.067 0.000 1.107 398 R CA -1.071 55.065 56.100 0.061 0.000 0.999 398 R CB 1.555 31.883 30.300 0.047 0.000 1.209 398 R HN 0.585 nan 8.270 nan 0.000 0.486 399 T N 0.407 114.989 114.554 0.048 0.000 2.946 399 T HA 0.194 4.544 4.350 -0.000 0.000 0.312 399 T C 1.216 175.952 174.700 0.060 0.000 1.066 399 T CA 1.136 63.267 62.100 0.050 0.000 1.138 399 T CB 0.545 69.429 68.868 0.026 0.000 1.014 399 T HN 0.908 nan 8.240 nan 0.000 0.544 400 G N 2.811 111.657 108.800 0.077 0.000 2.232 400 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.226 400 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.226 400 G C 0.174 175.126 174.900 0.085 0.000 0.996 400 G CA -0.433 44.711 45.100 0.073 0.000 0.626 400 G HN 0.669 nan 8.290 nan 0.000 0.509 401 N N 1.500 120.261 118.700 0.103 0.000 2.485 401 N HA 0.623 5.363 4.740 -0.000 0.000 0.280 401 N C -0.191 175.416 175.510 0.163 0.000 1.205 401 N CA 0.237 53.357 53.050 0.117 0.000 0.959 401 N CB 1.319 39.876 38.487 0.117 0.000 1.206 401 N HN 0.731 nan 8.380 nan 0.000 0.545 402 N N -0.787 118.021 118.700 0.181 0.000 3.020 402 N HA 0.344 5.084 4.740 -0.000 0.000 0.248 402 N C -1.893 173.786 175.510 0.281 0.000 1.480 402 N CA -0.522 52.678 53.050 0.248 0.000 0.874 402 N CB 1.318 39.944 38.487 0.231 0.000 1.433 402 N HN 0.381 nan 8.380 nan 0.000 0.530 403 F N -0.034 119.990 119.950 0.123 0.000 2.598 403 F HA 0.721 5.248 4.527 -0.000 0.000 0.327 403 F C -0.598 175.231 175.800 0.049 0.000 1.057 403 F CA -0.398 57.648 58.000 0.078 0.000 0.957 403 F CB 1.951 40.994 39.000 0.071 0.000 1.278 403 F HN 0.792 nan 8.300 nan 0.000 0.484 404 E N 4.372 124.053 120.200 -0.864 0.000 2.388 404 E HA 0.566 4.916 4.350 -0.000 0.000 0.282 404 E C -2.177 173.953 176.600 -0.784 0.000 1.026 404 E CA -0.654 55.403 56.400 -0.573 0.000 0.820 404 E CB 2.358 31.887 29.700 -0.285 0.000 1.226 404 E HN 0.799 nan 8.360 nan 0.000 0.432 405 I N 1.560 121.869 120.570 -0.434 0.000 2.947 405 I HA 0.490 4.660 4.170 -0.000 0.000 0.301 405 I C -1.739 174.275 176.117 -0.170 0.000 1.453 405 I CA -0.288 60.829 61.300 -0.305 0.000 0.984 405 I CB 2.498 40.355 38.000 -0.237 0.000 1.333 405 I HN 0.634 nan 8.210 nan 0.000 0.475 406 T N 4.280 118.759 114.554 -0.125 0.000 2.893 406 T HA 0.550 4.899 4.350 -0.000 0.000 0.291 406 T C -1.582 173.096 174.700 -0.036 0.000 1.028 406 T CA -0.471 61.572 62.100 -0.095 0.000 0.995 406 T CB 1.729 70.531 68.868 -0.109 0.000 1.051 406 T HN 0.498 nan 8.240 nan 0.000 0.470 407 Y N 0.343 120.511 120.300 -0.220 0.000 2.553 407 Y HA 0.648 5.197 4.550 -0.000 0.000 0.347 407 Y C -1.261 174.469 175.900 -0.283 0.000 1.019 407 Y CA -0.762 57.173 58.100 -0.274 0.000 1.032 407 Y CB 2.137 40.364 38.460 -0.387 0.000 1.284 407 Y HN 0.631 nan 8.280 nan 0.000 0.466 408 S N 4.756 119.796 115.700 -1.100 0.000 2.707 408 S HA 0.460 4.930 4.470 -0.000 0.000 0.303 408 S C -1.296 172.591 174.600 -1.188 0.000 1.132 408 S CA -0.564 57.144 58.200 -0.820 0.000 1.046 408 S CB 0.134 63.075 63.200 -0.433 0.000 1.004 408 S HN 0.506 nan 8.310 nan 0.000 0.483 409 F N 2.551 122.028 119.950 -0.789 0.000 2.595 409 F HA 0.074 4.601 4.527 -0.001 0.000 0.359 409 F C 1.533 177.111 175.800 -0.369 0.000 1.147 409 F CA 0.220 57.915 58.000 -0.509 0.000 1.341 409 F CB 0.417 39.215 39.000 -0.337 0.000 1.104 409 F HN 0.498 nan 8.300 nan 0.000 0.603 410 E N 1.512 121.642 120.200 -0.116 0.000 2.392 410 E HA 0.048 4.397 4.350 -0.000 0.000 0.256 410 E C -0.257 176.304 176.600 -0.065 0.000 1.145 410 E CA -0.687 55.649 56.400 -0.107 0.000 0.929 410 E CB 0.547 30.161 29.700 -0.144 0.000 0.998 410 E HN 0.394 nan 8.360 nan 0.000 0.442 411 K N 1.335 121.698 120.400 -0.063 0.000 2.379 411 K HA 0.188 4.508 4.320 -0.000 0.000 0.284 411 K C -1.086 175.492 176.600 -0.036 0.000 1.044 411 K CA -0.074 56.181 56.287 -0.054 0.000 0.974 411 K CB 0.661 33.144 32.500 -0.028 0.000 0.962 411 K HN 0.196 nan 8.250 nan 0.000 0.474 412 V N 6.449 126.331 119.914 -0.052 0.000 2.888 412 V HA 0.383 4.503 4.120 -0.000 0.000 0.309 412 V C -2.533 173.583 176.094 0.037 0.000 1.114 412 V CA -2.352 59.960 62.300 0.020 0.000 0.940 412 V CB 2.163 34.027 31.823 0.068 0.000 1.021 412 V HN 0.751 nan 8.190 nan 0.000 0.426 413 P HA 0.123 nan 4.420 nan 0.000 0.264 413 P C -0.792 176.703 177.300 0.325 0.000 1.183 413 P CA 0.296 63.528 63.100 0.220 0.000 0.763 413 P CB 0.025 31.830 31.700 0.174 0.000 0.807 414 F N 1.366 121.452 119.950 0.227 0.000 2.553 414 F HA 0.083 4.610 4.527 -0.001 0.000 0.356 414 F C 1.618 177.614 175.800 0.326 0.000 1.142 414 F CA 0.429 58.611 58.000 0.302 0.000 1.322 414 F CB -0.156 38.957 39.000 0.188 0.000 1.126 414 F HN 0.408 nan 8.300 nan 0.000 0.599 415 H N 1.060 120.409 119.070 0.465 0.000 2.629 415 H HA 0.179 4.735 4.556 -0.000 0.000 0.357 415 H C 0.979 176.405 175.328 0.164 0.000 1.121 415 H CA 0.077 56.228 56.048 0.171 0.000 1.406 415 H CB 1.015 30.787 29.762 0.017 0.000 1.456 415 H HN 0.615 nan 8.280 nan 0.000 0.579 416 S N 3.740 118.950 115.700 -0.816 0.000 2.414 416 S HA -0.251 4.219 4.470 -0.000 0.000 0.225 416 S C 1.133 175.544 174.600 -0.315 0.000 1.041 416 S CA 1.850 59.689 58.200 -0.601 0.000 1.114 416 S CB -0.328 62.303 63.200 -0.947 0.000 1.064 416 S HN 0.876 nan 8.310 nan 0.000 0.420 417 M N -0.368 118.949 119.600 -0.472 0.000 2.818 417 M HA -0.200 4.279 4.480 -0.000 0.000 0.204 417 M C -1.170 175.186 176.300 0.093 0.000 0.552 417 M CA 0.490 55.755 55.300 -0.058 0.000 0.687 417 M CB -1.361 31.292 32.600 0.089 0.000 2.512 417 M HN 0.639 nan 8.290 nan 0.000 0.563 418 Y N -3.356 116.841 120.300 -0.171 0.000 2.604 418 Y HA 0.829 5.379 4.550 -0.000 0.000 0.331 418 Y C -0.984 174.761 175.900 -0.259 0.000 1.158 418 Y CA -0.916 57.080 58.100 -0.173 0.000 1.056 418 Y CB 0.745 39.013 38.460 -0.320 0.000 1.330 418 Y HN 0.095 nan 8.280 nan 0.000 0.457 419 A N 2.292 125.046 122.820 -0.110 0.000 2.306 419 A HA 0.628 4.947 4.320 -0.000 0.000 0.330 419 A C -0.983 176.570 177.584 -0.051 0.000 1.146 419 A CA -0.777 51.152 52.037 -0.179 0.000 0.827 419 A CB 0.444 19.402 19.000 -0.071 0.000 1.178 419 A HN 0.827 nan 8.150 nan 0.000 0.490 420 H N 0.813 119.888 119.070 0.010 0.000 2.629 420 H HA 0.280 4.835 4.556 -0.000 0.000 0.357 420 H C 0.818 176.178 175.328 0.054 0.000 1.121 420 H CA 0.280 56.362 56.048 0.057 0.000 1.406 420 H CB 1.584 31.357 29.762 0.017 0.000 1.456 420 H HN 0.711 nan 8.280 nan 0.000 0.579 421 S N 1.682 117.517 115.700 0.225 0.000 2.310 421 S HA -0.000 4.469 4.470 -0.000 0.000 0.176 421 S C 0.295 174.959 174.600 0.106 0.000 1.002 421 S CA -0.295 57.990 58.200 0.142 0.000 1.105 421 S CB -0.032 63.254 63.200 0.143 0.000 0.852 421 S HN 0.586 nan 8.310 nan 0.000 0.475 422 Q N 1.348 121.203 119.800 0.092 0.000 2.380 422 Q HA 0.035 4.374 4.340 -0.000 0.000 0.338 422 Q C -0.627 175.371 176.000 -0.004 0.000 1.193 422 Q CA 0.363 56.185 55.803 0.032 0.000 1.023 422 Q CB 0.146 28.902 28.738 0.030 0.000 1.252 422 Q HN 0.224 nan 8.270 nan 0.000 0.422 423 S N 1.257 116.942 115.700 -0.026 0.000 2.509 423 S HA 0.214 4.683 4.470 -0.000 0.000 0.297 423 S C 0.969 175.542 174.600 -0.045 0.000 1.118 423 S CA -0.650 57.529 58.200 -0.036 0.000 1.074 423 S CB 1.083 64.264 63.200 -0.032 0.000 1.038 423 S HN 0.605 nan 8.310 nan 0.000 0.498 424 L N 2.129 123.326 121.223 -0.044 0.000 2.129 424 L HA -0.180 4.159 4.340 -0.000 0.000 0.212 424 L C 1.848 178.729 176.870 0.018 0.000 1.087 424 L CA 1.667 56.503 54.840 -0.007 0.000 0.757 424 L CB -0.167 41.900 42.059 0.014 0.000 0.896 424 L HN 0.772 nan 8.230 nan 0.000 0.434 425 D N -1.218 119.174 120.400 -0.013 0.000 2.349 425 D HA -0.102 4.538 4.640 -0.000 0.000 0.215 425 D C 0.602 176.868 176.300 -0.056 0.000 1.016 425 D CA 0.244 54.233 54.000 -0.018 0.000 0.870 425 D CB 0.057 40.836 40.800 -0.034 0.000 0.917 425 D HN 0.159 nan 8.370 nan 0.000 0.524 426 R N 0.847 121.298 120.500 -0.082 0.000 2.651 426 R HA 0.340 4.680 4.340 -0.000 0.000 0.282 426 R C 0.034 176.268 176.300 -0.110 0.000 1.565 426 R CA -0.195 55.806 56.100 -0.165 0.000 1.661 426 R CB 0.499 30.680 30.300 -0.198 0.000 1.189 426 R HN 0.183 nan 8.270 nan 0.000 0.621 427 L N 1.381 122.574 121.223 -0.051 0.000 3.066 427 L HA 0.272 4.612 4.340 -0.000 0.000 0.265 427 L C -0.245 176.631 176.870 0.010 0.000 1.232 427 L CA -0.066 54.773 54.840 -0.002 0.000 1.031 427 L CB 0.094 42.192 42.059 0.065 0.000 1.379 427 L HN 0.180 nan 8.230 nan 0.000 0.563 428 M N -2.273 117.312 119.600 -0.026 0.000 2.840 428 M HA 0.379 4.859 4.480 -0.000 0.000 0.283 428 M C 0.070 176.366 176.300 -0.007 0.000 1.136 428 M CA -0.700 54.617 55.300 0.028 0.000 0.857 428 M CB -0.037 32.659 32.600 0.160 0.000 1.644 428 M HN -0.199 nan 8.290 nan 0.000 0.520 429 N N 2.073 120.808 118.700 0.058 0.000 2.420 429 N HA 0.304 5.043 4.740 -0.000 0.000 0.249 429 N C -2.079 173.494 175.510 0.105 0.000 1.033 429 N CA -1.635 51.448 53.050 0.055 0.000 0.944 429 N CB 1.018 39.547 38.487 0.071 0.000 1.113 429 N HN 0.444 nan 8.380 nan 0.000 0.502 430 P HA -0.047 nan 4.420 nan 0.000 0.236 430 P C 0.800 178.244 177.300 0.239 0.000 1.172 430 P CA 0.733 63.928 63.100 0.158 0.000 0.759 430 P CB 0.404 32.132 31.700 0.047 0.000 0.843 431 L N -1.545 119.771 121.223 0.154 0.000 2.607 431 L HA 0.309 4.648 4.340 -0.000 0.000 0.228 431 L C 1.137 178.083 176.870 0.127 0.000 1.123 431 L CA 0.129 55.043 54.840 0.122 0.000 0.890 431 L CB -0.102 42.001 42.059 0.074 0.000 1.103 431 L HN -0.138 nan 8.230 nan 0.000 0.468 432 I N -1.319 119.354 120.570 0.170 0.000 2.828 432 I HA 0.280 4.450 4.170 -0.000 0.000 0.302 432 I C -0.947 175.258 176.117 0.147 0.000 1.101 432 I CA -0.979 60.401 61.300 0.132 0.000 1.031 432 I CB 2.227 40.283 38.000 0.093 0.000 1.231 432 I HN -0.171 nan 8.210 nan 0.000 0.427 433 D N 3.466 123.908 120.400 0.069 0.000 2.362 433 D HA 0.216 4.856 4.640 -0.000 0.000 0.242 433 D C -0.225 175.993 176.300 -0.137 0.000 1.132 433 D CA -0.126 53.866 54.000 -0.015 0.000 0.907 433 D CB 0.585 41.371 40.800 -0.023 0.000 1.195 433 D HN 0.374 nan 8.370 nan 0.000 0.429 434 Q N 0.160 119.745 119.800 -0.359 0.000 2.316 434 Q HA 0.221 4.560 4.340 -0.000 0.000 0.215 434 Q C 0.013 175.883 176.000 -0.217 0.000 1.020 434 Q CA -0.502 55.016 55.803 -0.474 0.000 0.970 434 Q CB 0.585 28.881 28.738 -0.737 0.000 1.187 434 Q HN 0.671 nan 8.270 nan 0.000 0.546 435 Y N -1.731 118.526 120.300 -0.072 0.000 2.555 435 Y HA 0.434 4.983 4.550 -0.000 0.000 0.259 435 Y C -0.211 175.765 175.900 0.127 0.000 1.179 435 Y CA -0.431 57.694 58.100 0.042 0.000 1.230 435 Y CB 0.227 38.705 38.460 0.031 0.000 1.146 435 Y HN 0.149 nan 8.280 nan 0.000 0.526 436 L N 0.744 121.937 121.223 -0.049 0.000 2.334 436 L HA 0.434 4.774 4.340 -0.000 0.000 0.275 436 L C -1.023 175.933 176.870 0.143 0.000 1.036 436 L CA -0.691 54.189 54.840 0.068 0.000 0.807 436 L CB 1.069 43.039 42.059 -0.148 0.000 1.231 436 L HN 0.138 nan 8.230 nan 0.000 0.438 437 W N 0.802 122.065 121.300 -0.061 0.000 2.706 437 W HA 0.743 5.403 4.660 -0.001 0.000 0.346 437 W C 0.286 176.801 176.519 -0.006 0.000 1.071 437 W CA -0.524 56.801 57.345 -0.033 0.000 1.206 437 W CB 2.010 31.433 29.460 -0.062 0.000 1.413 437 W HN 0.459 nan 8.180 nan 0.000 0.542 438 G N 0.929 109.891 108.800 0.270 0.000 2.684 438 G HA2 0.512 4.472 3.960 -0.000 0.000 0.290 438 G HA3 0.512 4.472 3.960 -0.000 0.000 0.290 438 G C -2.307 172.851 174.900 0.429 0.000 1.425 438 G CA -1.218 44.045 45.100 0.271 0.000 0.822 438 G HN 0.427 nan 8.290 nan 0.000 0.482 439 L N 0.559 122.027 121.223 0.409 0.000 2.410 439 L HA 0.374 4.714 4.340 -0.000 0.000 0.273 439 L C 1.460 178.388 176.870 0.096 0.000 1.144 439 L CA 0.237 55.232 54.840 0.258 0.000 0.863 439 L CB 1.249 43.406 42.059 0.164 0.000 1.140 439 L HN 0.782 nan 8.230 nan 0.000 0.463 440 Q N 2.290 122.102 119.800 0.020 0.000 2.287 440 Q HA 0.182 4.522 4.340 -0.000 0.000 0.201 440 Q C -0.357 175.623 176.000 -0.033 0.000 0.946 440 Q CA 0.740 56.541 55.803 -0.004 0.000 0.868 440 Q CB 0.498 29.229 28.738 -0.013 0.000 0.967 440 Q HN 0.858 nan 8.270 nan 0.000 0.516 441 S N -1.755 113.902 115.700 -0.072 0.000 2.547 441 S HA 0.236 4.706 4.470 -0.000 0.000 0.270 441 S C 0.037 174.573 174.600 -0.106 0.000 1.150 441 S CA -0.209 57.949 58.200 -0.070 0.000 0.850 441 S CB 1.216 64.383 63.200 -0.054 0.000 1.118 441 S HN 0.227 nan 8.310 nan 0.000 0.461 442 T N -1.851 112.655 114.554 -0.080 0.000 3.060 442 T HA 0.314 4.664 4.350 -0.000 0.000 0.249 442 T C 0.731 175.390 174.700 -0.067 0.000 1.079 442 T CA 0.787 62.836 62.100 -0.086 0.000 1.013 442 T CB 0.081 68.914 68.868 -0.058 0.000 0.975 442 T HN 0.789 nan 8.240 nan 0.000 0.518 443 T N -0.234 114.288 114.554 -0.054 0.000 2.645 443 T HA 0.489 4.838 4.350 -0.000 0.000 0.273 443 T C 0.533 175.210 174.700 -0.038 0.000 0.960 443 T CA -0.107 61.969 62.100 -0.041 0.000 1.051 443 T CB 1.531 70.381 68.868 -0.030 0.000 1.366 443 T HN 0.023 nan 8.240 nan 0.000 0.536 444 T N -0.069 114.468 114.554 -0.028 0.000 3.000 444 T HA 0.331 4.681 4.350 -0.000 0.000 0.248 444 T C 1.220 175.907 174.700 -0.020 0.000 1.034 444 T CA 0.344 62.430 62.100 -0.024 0.000 1.060 444 T CB -0.222 68.635 68.868 -0.019 0.000 0.983 444 T HN 0.672 nan 8.240 nan 0.000 0.482 445 G N 1.132 109.920 108.800 -0.019 0.000 2.529 445 G HA2 0.296 4.256 3.960 -0.000 0.000 0.234 445 G HA3 0.296 4.256 3.960 -0.000 0.000 0.234 445 G C 0.426 175.315 174.900 -0.018 0.000 1.527 445 G CA 0.407 45.498 45.100 -0.017 0.000 1.062 445 G HN 0.276 nan 8.290 nan 0.000 0.558 446 T N -0.295 114.249 114.554 -0.016 0.000 3.144 446 T HA 0.255 4.605 4.350 -0.000 0.000 0.290 446 T C 0.169 174.860 174.700 -0.015 0.000 0.966 446 T CA 0.383 62.473 62.100 -0.017 0.000 0.907 446 T CB 0.216 69.074 68.868 -0.016 0.000 1.152 446 T HN 0.777 nan 8.240 nan 0.000 0.532 447 T N 1.097 115.643 114.554 -0.014 0.000 2.807 447 T HA 0.719 5.068 4.350 -0.000 0.000 0.279 447 T C -0.260 174.433 174.700 -0.013 0.000 0.993 447 T CA -0.938 61.154 62.100 -0.013 0.000 0.970 447 T CB 1.772 70.634 68.868 -0.011 0.000 0.950 447 T HN 0.031 nan 8.240 nan 0.000 0.441 448 L N 3.003 124.219 121.223 -0.012 0.000 2.506 448 L HA 0.273 4.613 4.340 -0.000 0.000 0.281 448 L C 0.929 177.793 176.870 -0.010 0.000 1.228 448 L CA 0.753 55.587 54.840 -0.011 0.000 0.850 448 L CB -0.622 41.431 42.059 -0.009 0.000 1.110 448 L HN 1.058 nan 8.230 nan 0.000 0.496 449 N N 2.165 120.859 118.700 -0.011 0.000 2.707 449 N HA -0.190 4.550 4.740 -0.000 0.000 0.253 449 N C -1.258 174.247 175.510 -0.010 0.000 0.998 449 N CA 1.178 54.222 53.050 -0.010 0.000 0.751 449 N CB -1.046 37.436 38.487 -0.007 0.000 0.920 449 N HN 1.144 nan 8.380 nan 0.000 0.539 450 A N -0.649 122.164 122.820 -0.012 0.000 2.508 450 A HA 0.711 5.030 4.320 -0.000 0.000 0.297 450 A C 0.368 177.944 177.584 -0.013 0.000 1.036 450 A CA 0.182 52.213 52.037 -0.011 0.000 0.957 450 A CB 0.791 19.786 19.000 -0.010 0.000 1.428 450 A HN 1.237 nan 8.150 nan 0.000 0.393 451 G N -0.170 108.622 108.800 -0.013 0.000 2.324 451 G HA2 0.472 4.432 3.960 -0.000 0.000 0.293 451 G HA3 0.472 4.432 3.960 -0.000 0.000 0.293 451 G C 0.177 175.069 174.900 -0.014 0.000 1.297 451 G CA 0.360 45.452 45.100 -0.014 0.000 0.853 451 G HN 0.865 nan 8.290 nan 0.000 0.535 452 T N 0.875 115.420 114.554 -0.014 0.000 3.160 452 T HA 0.427 4.776 4.350 -0.000 0.000 0.257 452 T C 1.193 175.883 174.700 -0.016 0.000 1.147 452 T CA 1.997 64.089 62.100 -0.013 0.000 1.064 452 T CB -0.576 68.285 68.868 -0.011 0.000 0.949 452 T HN 2.394 nan 8.240 nan 0.000 0.526 453 A N 1.348 124.155 122.820 -0.021 0.000 1.478 453 A HA 0.049 4.368 4.320 -0.000 0.000 0.209 453 A C 0.426 177.990 177.584 -0.033 0.000 1.187 453 A CA 0.452 52.472 52.037 -0.027 0.000 0.583 453 A CB -1.696 17.291 19.000 -0.020 0.000 1.272 453 A HN 0.468 nan 8.150 nan 0.000 0.177 454 T N 0.903 115.426 114.554 -0.050 0.000 2.792 454 T HA 0.785 5.134 4.350 -0.000 0.000 0.303 454 T C -0.068 174.560 174.700 -0.120 0.000 1.310 454 T CA -0.146 61.916 62.100 -0.064 0.000 1.007 454 T CB 1.716 70.554 68.868 -0.049 0.000 1.335 454 T HN 1.709 nan 8.240 nan 0.000 0.504 455 T N 0.359 114.817 114.554 -0.160 0.000 3.005 455 T HA 0.443 4.793 4.350 -0.000 0.000 0.323 455 T C -0.439 173.972 174.700 -0.481 0.000 1.131 455 T CA -0.796 61.089 62.100 -0.359 0.000 0.977 455 T CB -0.918 67.765 68.868 -0.309 0.000 1.055 455 T HN 0.450 nan 8.240 nan 0.000 0.562 456 N N 2.808 121.263 118.700 -0.409 0.000 2.437 456 N HA 0.459 5.199 4.740 -0.000 0.000 0.243 456 N C -1.065 174.292 175.510 -0.255 0.000 1.041 456 N CA -0.470 52.431 53.050 -0.248 0.000 0.940 456 N CB 0.348 38.767 38.487 -0.113 0.000 1.133 456 N HN 0.455 nan 8.380 nan 0.000 0.506 457 F N 0.491 120.523 119.950 0.136 0.000 2.397 457 F HA 0.516 5.042 4.527 -0.000 0.000 0.331 457 F C 1.052 176.948 175.800 0.161 0.000 1.090 457 F CA -0.523 57.602 58.000 0.207 0.000 1.065 457 F CB 1.509 40.716 39.000 0.345 0.000 1.184 457 F HN 0.151 nan 8.300 nan 0.000 0.499 458 T N 1.064 115.736 114.554 0.197 0.000 2.916 458 T HA 0.231 4.580 4.350 -0.000 0.000 0.292 458 T C 0.687 174.851 174.700 -0.893 0.000 1.055 458 T CA -0.916 61.024 62.100 -0.267 0.000 1.009 458 T CB 2.100 70.869 68.868 -0.165 0.000 1.118 458 T HN 0.624 nan 8.240 nan 0.000 0.497 459 K N 0.765 120.399 120.400 -1.278 0.000 2.459 459 K HA 0.210 4.530 4.320 -0.000 0.000 0.193 459 K C -0.231 175.957 176.600 -0.687 0.000 1.030 459 K CA 0.289 55.648 56.287 -1.546 0.000 1.026 459 K CB -0.335 31.583 32.500 -0.970 0.000 0.809 459 K HN 0.591 nan 8.250 nan 0.000 0.504 460 L N 1.793 122.784 121.223 -0.387 0.000 3.425 460 L HA -0.261 4.079 4.340 -0.000 0.000 0.686 460 L C -0.506 176.345 176.870 -0.032 0.000 1.147 460 L CA 0.440 55.204 54.840 -0.126 0.000 1.187 460 L CB -0.862 41.084 42.059 -0.188 0.000 1.670 460 L HN 0.360 nan 8.230 nan 0.000 0.874 461 R N 0.549 121.094 120.500 0.075 0.000 2.939 461 R HA 0.859 5.198 4.340 -0.000 0.000 0.254 461 R C -2.634 173.731 176.300 0.108 0.000 1.123 461 R CA -2.287 53.887 56.100 0.124 0.000 1.020 461 R CB 0.200 30.483 30.300 -0.028 0.000 1.206 461 R HN -0.119 nan 8.270 nan 0.000 0.491 462 P HA -0.154 nan 4.420 nan 0.000 0.271 462 P C -0.133 176.774 177.300 -0.654 0.000 1.197 462 P CA 1.163 64.065 63.100 -0.330 0.000 0.777 462 P CB 0.262 31.946 31.700 -0.027 0.000 0.827 463 T N -2.101 111.749 114.554 -1.174 0.000 9.545 463 T HA -0.274 4.076 4.350 -0.000 0.000 0.344 463 T C 1.169 175.355 174.700 -0.858 0.000 1.908 463 T CA 1.736 63.357 62.100 -0.799 0.000 3.011 463 T CB -2.081 66.579 68.868 -0.345 0.000 2.298 463 T HN 0.661 nan 8.240 nan 0.000 0.992 464 N N -0.236 117.914 118.700 -0.917 0.000 2.143 464 N HA 0.126 4.866 4.740 -0.000 0.000 0.190 464 N C 1.045 176.215 175.510 -0.567 0.000 1.058 464 N CA 1.247 53.972 53.050 -0.542 0.000 0.860 464 N CB 0.019 38.345 38.487 -0.268 0.000 1.044 464 N HN 0.515 nan 8.380 nan 0.000 0.445 465 F N -1.515 117.968 119.950 -0.779 0.000 2.631 465 F HA -0.342 4.184 4.527 -0.000 0.000 0.563 465 F C 1.789 177.391 175.800 -0.329 0.000 0.513 465 F CA 0.600 58.093 58.000 -0.844 0.000 0.871 465 F CB -1.422 37.232 39.000 -0.577 0.000 1.668 465 F HN 0.280 nan 8.300 nan 0.000 0.260 466 S N -0.702 114.987 115.700 -0.018 0.000 2.548 466 S HA 0.125 4.595 4.470 -0.000 0.000 0.215 466 S C 0.902 175.528 174.600 0.044 0.000 0.976 466 S CA 0.535 58.742 58.200 0.013 0.000 0.908 466 S CB 0.033 63.228 63.200 -0.009 0.000 0.781 466 S HN 0.500 nan 8.310 nan 0.000 0.519 467 N N 0.228 118.976 118.700 0.081 0.000 2.171 467 N HA 0.300 5.040 4.740 -0.000 0.000 0.212 467 N C -0.665 174.993 175.510 0.247 0.000 1.184 467 N CA -0.220 52.905 53.050 0.125 0.000 0.888 467 N CB 0.285 38.825 38.487 0.088 0.000 1.038 467 N HN 0.419 nan 8.380 nan 0.000 0.517 468 F N 1.927 121.898 119.950 0.035 0.000 2.572 468 F HA 0.014 4.540 4.527 -0.000 0.000 0.370 468 F C 0.902 176.697 175.800 -0.009 0.000 1.103 468 F CA -0.447 57.566 58.000 0.021 0.000 1.286 468 F CB 0.685 39.731 39.000 0.077 0.000 1.105 468 F HN -0.369 nan 8.300 nan 0.000 0.583 469 K N 4.549 124.974 120.400 0.043 0.000 2.416 469 K HA 0.143 4.462 4.320 -0.000 0.000 0.283 469 K C -0.671 175.917 176.600 -0.020 0.000 1.037 469 K CA 0.120 56.398 56.287 -0.015 0.000 0.995 469 K CB 0.545 32.989 32.500 -0.092 0.000 0.938 469 K HN 0.406 nan 8.250 nan 0.000 0.475 470 K N 1.644 122.037 120.400 -0.013 0.000 2.350 470 K HA 0.312 4.632 4.320 -0.000 0.000 0.241 470 K C 0.157 176.661 176.600 -0.161 0.000 0.994 470 K CA -0.807 55.456 56.287 -0.039 0.000 0.839 470 K CB 1.596 34.115 32.500 0.032 0.000 1.244 470 K HN 0.386 nan 8.250 nan 0.000 0.443 471 N N -0.359 118.146 118.700 -0.325 0.000 2.356 471 N HA 0.089 4.829 4.740 -0.000 0.000 0.178 471 N C -0.974 173.941 175.510 -0.991 0.000 1.075 471 N CA 0.279 52.865 53.050 -0.773 0.000 0.889 471 N CB 0.403 38.228 38.487 -1.104 0.000 0.999 471 N HN 0.344 nan 8.380 nan 0.000 0.464 472 W N 0.482 121.817 121.300 0.058 0.000 2.936 472 W HA 0.553 5.212 4.660 -0.000 0.000 0.338 472 W C -1.083 175.494 176.519 0.097 0.000 1.121 472 W CA -0.859 56.532 57.345 0.076 0.000 1.209 472 W CB 0.757 30.250 29.460 0.055 0.000 1.420 472 W HN -0.332 nan 8.180 nan 0.000 0.516 473 L N 2.711 124.165 121.223 0.384 0.000 2.322 473 L HA 0.648 4.987 4.340 -0.000 0.000 0.269 473 L C -2.145 174.939 176.870 0.355 0.000 1.012 473 L CA -2.855 52.189 54.840 0.339 0.000 0.815 473 L CB 0.556 42.873 42.059 0.431 0.000 1.295 473 L HN 0.068 nan 8.230 nan 0.000 0.438 474 P HA 0.219 nan 4.420 nan 0.000 0.272 474 P C -0.122 177.472 177.300 0.491 0.000 1.223 474 P CA -0.239 63.024 63.100 0.272 0.000 0.784 474 P CB 0.573 32.283 31.700 0.016 0.000 0.923 475 G N 2.554 111.605 108.800 0.418 0.000 2.634 475 G HA2 0.307 4.266 3.960 -0.000 0.000 0.255 475 G HA3 0.307 4.266 3.960 -0.000 0.000 0.255 475 G C -2.469 172.539 174.900 0.181 0.000 1.205 475 G CA -1.194 44.099 45.100 0.321 0.000 0.884 475 G HN 0.324 nan 8.290 nan 0.000 0.549 476 P HA 0.109 nan 4.420 nan 0.000 0.266 476 P C -0.083 177.170 177.300 -0.079 0.000 1.186 476 P CA 0.357 63.349 63.100 -0.180 0.000 0.767 476 P CB 0.796 32.298 31.700 -0.331 0.000 0.820 477 S N 1.543 117.225 115.700 -0.030 0.000 2.596 477 S HA 0.738 5.208 4.470 -0.000 0.000 0.270 477 S C -1.279 173.314 174.600 -0.012 0.000 1.155 477 S CA -0.813 57.402 58.200 0.025 0.000 0.827 477 S CB 1.037 64.330 63.200 0.155 0.000 1.130 477 S HN 0.230 nan 8.310 nan 0.000 0.467 478 I N 1.255 121.820 120.570 -0.010 0.000 2.534 478 I HA 0.369 4.539 4.170 -0.000 0.000 0.286 478 I C -0.258 175.848 176.117 -0.019 0.000 1.094 478 I CA -0.629 60.654 61.300 -0.029 0.000 1.055 478 I CB 2.082 40.053 38.000 -0.047 0.000 1.225 478 I HN 0.750 nan 8.210 nan 0.000 0.435 479 K N 5.968 126.356 120.400 -0.019 0.000 2.524 479 K HA 0.060 4.380 4.320 -0.000 0.000 0.279 479 K C -0.564 176.010 176.600 -0.044 0.000 0.993 479 K CA 0.350 56.622 56.287 -0.025 0.000 1.030 479 K CB 0.649 33.131 32.500 -0.031 0.000 0.891 479 K HN 0.502 nan 8.250 nan 0.000 0.488 480 Q N 2.443 122.219 119.800 -0.040 0.000 2.348 480 Q HA 0.115 4.454 4.340 -0.000 0.000 0.271 480 Q C -0.944 175.012 176.000 -0.074 0.000 1.067 480 Q CA -0.853 54.924 55.803 -0.043 0.000 0.839 480 Q CB 2.044 30.770 28.738 -0.020 0.000 1.354 480 Q HN 0.543 nan 8.270 nan 0.000 0.447 481 Q N 0.211 119.965 119.800 -0.077 0.000 2.314 481 Q HA 0.454 4.794 4.340 -0.000 0.000 0.258 481 Q C -0.603 175.227 176.000 -0.284 0.000 0.954 481 Q CA 0.121 55.809 55.803 -0.191 0.000 0.890 481 Q CB 1.079 29.716 28.738 -0.168 0.000 1.210 481 Q HN 0.737 nan 8.270 nan 0.000 0.410 482 G N 2.917 111.466 108.800 -0.417 0.000 2.371 482 G HA2 0.616 4.576 3.960 -0.000 0.000 0.326 482 G HA3 0.616 4.576 3.960 -0.000 0.000 0.326 482 G C -1.325 173.181 174.900 -0.657 0.000 1.127 482 G CA -0.396 44.473 45.100 -0.384 0.000 0.885 482 G HN 0.510 nan 8.290 nan 0.000 0.477 483 F N -0.044 119.710 119.950 -0.326 0.000 2.598 483 F HA 0.679 5.206 4.527 -0.000 0.000 0.327 483 F C 0.616 176.438 175.800 0.037 0.000 1.057 483 F CA -0.803 57.087 58.000 -0.185 0.000 0.957 483 F CB 2.594 41.434 39.000 -0.267 0.000 1.278 483 F HN 0.444 nan 8.300 nan 0.000 0.484 484 S N 0.087 116.010 115.700 0.370 0.000 2.549 484 S HA 0.350 4.820 4.470 -0.000 0.000 0.297 484 S C 0.569 175.374 174.600 0.341 0.000 1.115 484 S CA -0.658 57.722 58.200 0.300 0.000 1.059 484 S CB 1.220 64.513 63.200 0.155 0.000 1.046 484 S HN 0.675 nan 8.310 nan 0.000 0.506 485 K N 1.034 121.542 120.400 0.180 0.000 2.296 485 K HA 0.004 4.324 4.320 -0.000 0.000 0.200 485 K C 0.569 177.181 176.600 0.020 0.000 1.048 485 K CA 0.843 57.133 56.287 0.006 0.000 0.966 485 K CB -0.200 32.188 32.500 -0.187 0.000 0.754 485 K HN 0.749 nan 8.250 nan 0.000 0.466 486 T N -0.943 113.637 114.554 0.044 0.000 2.992 486 T HA 0.426 4.775 4.350 -0.000 0.000 0.299 486 T C 1.246 175.977 174.700 0.053 0.000 1.027 486 T CA -0.083 62.036 62.100 0.031 0.000 1.001 486 T CB 1.088 69.969 68.868 0.021 0.000 1.005 486 T HN 0.137 nan 8.240 nan 0.000 0.599 487 A N 3.915 126.763 122.820 0.047 0.000 2.000 487 A HA -0.340 3.980 4.320 -0.000 0.000 0.235 487 A C 2.117 179.730 177.584 0.049 0.000 1.669 487 A CA 2.408 54.475 52.037 0.050 0.000 0.728 487 A CB -1.034 17.980 19.000 0.024 0.000 0.836 487 A HN 0.981 nan 8.150 nan 0.000 0.534 488 N N -1.766 116.955 118.700 0.036 0.000 2.276 488 N HA 0.026 4.766 4.740 -0.000 0.000 0.212 488 N C 0.412 175.944 175.510 0.037 0.000 1.127 488 N CA 0.210 53.275 53.050 0.026 0.000 0.834 488 N CB 0.208 38.701 38.487 0.011 0.000 1.014 488 N HN 0.585 nan 8.380 nan 0.000 0.491 489 Q N 0.111 119.948 119.800 0.062 0.000 2.247 489 Q HA 0.224 4.564 4.340 -0.000 0.000 0.211 489 Q C -0.001 176.055 176.000 0.092 0.000 0.861 489 Q CA -0.098 55.743 55.803 0.064 0.000 0.949 489 Q CB 0.420 29.194 28.738 0.061 0.000 1.115 489 Q HN 0.425 nan 8.270 nan 0.000 0.507 490 N N -0.187 118.589 118.700 0.126 0.000 2.547 490 N HA 0.064 4.804 4.740 -0.000 0.000 0.301 490 N C 0.214 175.832 175.510 0.180 0.000 1.328 490 N CA -0.173 52.994 53.050 0.195 0.000 0.932 490 N CB 0.114 38.767 38.487 0.277 0.000 1.104 490 N HN 0.018 nan 8.380 nan 0.000 0.548 491 Y N -0.051 120.299 120.300 0.083 0.000 2.527 491 Y HA 0.257 4.806 4.550 -0.000 0.000 0.247 491 Y C -0.609 175.289 175.900 -0.003 0.000 1.138 491 Y CA -0.098 58.011 58.100 0.016 0.000 1.228 491 Y CB 0.305 38.749 38.460 -0.028 0.000 1.252 491 Y HN 0.362 nan 8.280 nan 0.000 0.531 492 K N 1.743 122.075 120.400 -0.113 0.000 4.278 492 K HA -0.162 4.158 4.320 -0.000 0.000 0.306 492 K C -1.114 175.418 176.600 -0.113 0.000 1.041 492 K CA 0.760 56.950 56.287 -0.162 0.000 0.957 492 K CB -1.906 30.425 32.500 -0.281 0.000 1.522 492 K HN 0.313 nan 8.250 nan 0.000 0.437 493 I N 2.490 123.066 120.570 0.010 0.000 2.412 493 I HA 0.399 4.569 4.170 -0.000 0.000 0.296 493 I C -1.126 175.009 176.117 0.031 0.000 0.987 493 I CA -2.130 59.188 61.300 0.030 0.000 1.180 493 I CB 1.224 39.264 38.000 0.066 0.000 1.340 493 I HN 0.156 nan 8.210 nan 0.000 0.455 494 P HA 0.371 nan 4.420 nan 0.000 0.280 494 P C -0.041 177.292 177.300 0.056 0.000 1.272 494 P CA -0.418 62.707 63.100 0.041 0.000 0.819 494 P CB 1.734 33.460 31.700 0.044 0.000 1.122 495 A N 1.551 124.394 122.820 0.038 0.000 1.824 495 A HA 0.046 4.366 4.320 -0.000 0.000 0.215 495 A C 1.360 178.978 177.584 0.056 0.000 1.244 495 A CA 1.959 54.019 52.037 0.038 0.000 0.604 495 A CB -1.858 17.155 19.000 0.021 0.000 0.900 495 A HN 0.751 nan 8.150 nan 0.000 0.455 496 T N -2.974 111.608 114.554 0.046 0.000 2.750 496 T HA 0.473 4.823 4.350 -0.000 0.000 0.351 496 T C 0.919 175.659 174.700 0.067 0.000 1.082 496 T CA 0.331 62.461 62.100 0.050 0.000 1.022 496 T CB -0.375 68.514 68.868 0.034 0.000 1.249 496 T HN 2.328 nan 8.240 nan 0.000 0.520 497 G N -0.758 108.079 108.800 0.061 0.000 2.712 497 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.683 497 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.683 497 G C 0.582 175.537 174.900 0.092 0.000 1.320 497 G CA 0.245 45.388 45.100 0.071 0.000 0.847 497 G HN 1.281 nan 8.290 nan 0.000 0.553 498 S N -0.810 114.946 115.700 0.093 0.000 2.515 498 S HA 0.088 4.558 4.470 -0.000 0.000 0.231 498 S C 0.805 175.506 174.600 0.168 0.000 0.987 498 S CA 1.792 60.053 58.200 0.102 0.000 0.936 498 S CB -0.087 63.161 63.200 0.079 0.000 0.766 498 S HN 0.509 nan 8.310 nan 0.000 0.528 499 D N 1.640 122.165 120.400 0.208 0.000 2.963 499 D HA 0.250 4.890 4.640 -0.000 0.000 0.361 499 D C -0.506 175.999 176.300 0.342 0.000 1.317 499 D CA -0.083 54.130 54.000 0.354 0.000 0.832 499 D CB 0.900 41.918 40.800 0.364 0.000 1.135 499 D HN 0.329 nan 8.370 nan 0.000 0.476 500 S N -0.182 115.678 115.700 0.266 0.000 2.585 500 S HA 0.076 4.545 4.470 -0.000 0.000 0.273 500 S C 1.487 176.245 174.600 0.263 0.000 1.339 500 S CA -0.746 57.581 58.200 0.211 0.000 1.028 500 S CB 1.764 65.060 63.200 0.160 0.000 0.906 500 S HN 0.126 nan 8.310 nan 0.000 0.528 501 L N 2.079 123.418 121.223 0.193 0.000 2.064 501 L HA -0.183 4.157 4.340 -0.000 0.000 0.216 501 L C 2.093 179.069 176.870 0.177 0.000 1.077 501 L CA 1.651 56.606 54.840 0.192 0.000 0.766 501 L CB -0.899 41.191 42.059 0.053 0.000 0.890 501 L HN 0.834 nan 8.230 nan 0.000 0.435 502 I N -0.093 120.537 120.570 0.100 0.000 2.113 502 I HA -0.439 3.731 4.170 -0.000 0.000 0.242 502 I C 2.575 178.604 176.117 -0.146 0.000 1.057 502 I CA 2.229 63.528 61.300 -0.001 0.000 1.314 502 I CB -0.907 37.114 38.000 0.035 0.000 1.022 502 I HN 0.515 nan 8.210 nan 0.000 0.408 503 K N 0.165 120.482 120.400 -0.139 0.000 2.074 503 K HA -0.243 4.077 4.320 -0.000 0.000 0.209 503 K C 2.093 178.446 176.600 -0.411 0.000 1.048 503 K CA 1.987 58.039 56.287 -0.392 0.000 0.926 503 K CB -0.331 32.043 32.500 -0.210 0.000 0.713 503 K HN 0.294 nan 8.250 nan 0.000 0.444 504 Y N 0.795 121.109 120.300 0.023 0.000 2.546 504 Y HA 0.152 4.702 4.550 -0.000 0.000 0.287 504 Y C 0.268 176.188 175.900 0.033 0.000 1.158 504 Y CA 0.148 58.269 58.100 0.035 0.000 1.307 504 Y CB 0.351 38.865 38.460 0.089 0.000 1.036 504 Y HN 0.039 nan 8.280 nan 0.000 0.532 505 E N 0.360 120.634 120.200 0.123 0.000 2.191 505 E HA 0.110 4.459 4.350 -0.000 0.000 0.278 505 E C -0.025 176.557 176.600 -0.031 0.000 0.972 505 E CA -0.489 55.969 56.400 0.096 0.000 0.804 505 E CB 1.303 31.081 29.700 0.129 0.000 1.110 505 E HN -0.070 nan 8.360 nan 0.000 0.394 506 T N 4.083 118.583 114.554 -0.090 0.000 2.822 506 T HA -0.046 4.304 4.350 -0.000 0.000 0.288 506 T C -0.351 174.244 174.700 -0.174 0.000 0.991 506 T CA 0.161 62.135 62.100 -0.211 0.000 1.176 506 T CB -0.153 68.632 68.868 -0.138 0.000 0.951 506 T HN 0.532 nan 8.240 nan 0.000 0.526 507 H N 1.425 120.368 119.070 -0.212 0.000 2.977 507 H HA 0.673 5.229 4.556 -0.000 0.000 0.350 507 H C -0.683 174.557 175.328 -0.148 0.000 1.238 507 H CA -0.996 54.928 56.048 -0.206 0.000 1.124 507 H CB 1.119 30.655 29.762 -0.375 0.000 1.866 507 H HN 0.650 nan 8.280 nan 0.000 0.550 508 S N 0.269 116.050 115.700 0.135 0.000 2.722 508 S HA 0.543 5.013 4.470 -0.000 0.000 0.292 508 S C -0.507 174.258 174.600 0.276 0.000 1.135 508 S CA -0.674 57.608 58.200 0.137 0.000 1.003 508 S CB 1.694 64.952 63.200 0.098 0.000 1.067 508 S HN 0.660 nan 8.310 nan 0.000 0.546 509 T N 2.211 116.914 114.554 0.248 0.000 2.930 509 T HA 0.417 4.767 4.350 -0.000 0.000 0.313 509 T C -0.975 173.831 174.700 0.176 0.000 1.019 509 T CA -0.463 61.819 62.100 0.303 0.000 1.004 509 T CB 0.521 69.601 68.868 0.353 0.000 0.987 509 T HN 0.610 nan 8.240 nan 0.000 0.456 510 L N 3.517 124.831 121.223 0.152 0.000 2.298 510 L HA 0.360 4.700 4.340 -0.000 0.000 0.284 510 L C 0.061 176.977 176.870 0.077 0.000 1.013 510 L CA -0.190 54.712 54.840 0.104 0.000 0.824 510 L CB 0.990 43.110 42.059 0.102 0.000 1.221 510 L HN 0.740 nan 8.230 nan 0.000 0.418 511 D N 3.956 124.392 120.400 0.059 0.000 2.697 511 D HA -0.203 4.437 4.640 -0.000 0.000 0.235 511 D C 1.130 177.437 176.300 0.012 0.000 1.167 511 D CA 1.292 55.313 54.000 0.036 0.000 0.656 511 D CB -0.441 40.381 40.800 0.037 0.000 1.025 511 D HN 1.119 nan 8.370 nan 0.000 0.419 512 G N 0.105 108.910 108.800 0.007 0.000 2.220 512 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.269 512 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.269 512 G C 0.573 175.406 174.900 -0.112 0.000 0.977 512 G CA 0.812 45.879 45.100 -0.055 0.000 0.634 512 G HN 0.623 nan 8.290 nan 0.000 0.539 513 R N -0.853 119.633 120.500 -0.023 0.000 2.428 513 R HA 0.470 4.810 4.340 -0.000 0.000 0.294 513 R C -0.220 176.166 176.300 0.143 0.000 1.000 513 R CA -0.748 55.347 56.100 -0.008 0.000 0.960 513 R CB 0.741 31.064 30.300 0.038 0.000 1.076 513 R HN 0.167 nan 8.270 nan 0.000 0.475 514 W N 0.483 121.748 121.300 -0.058 0.000 2.375 514 W HA 0.378 5.037 4.660 -0.000 0.000 0.336 514 W C 0.205 176.695 176.519 -0.048 0.000 1.160 514 W CA -0.664 56.614 57.345 -0.112 0.000 1.266 514 W CB 1.666 30.933 29.460 -0.320 0.000 1.195 514 W HN 0.333 nan 8.180 nan 0.000 0.599 515 S N 1.516 117.327 115.700 0.184 0.000 2.689 515 S HA 0.611 5.081 4.470 -0.000 0.000 0.274 515 S C -0.699 173.956 174.600 0.092 0.000 1.176 515 S CA -0.635 57.637 58.200 0.120 0.000 1.014 515 S CB 0.347 63.619 63.200 0.120 0.000 1.071 515 S HN 0.622 nan 8.310 nan 0.000 0.478 516 A N 3.443 126.300 122.820 0.061 0.000 2.565 516 A HA 0.303 4.623 4.320 -0.000 0.000 0.237 516 A C 0.407 178.022 177.584 0.052 0.000 1.053 516 A CA -0.089 51.979 52.037 0.051 0.000 0.755 516 A CB -0.171 18.848 19.000 0.032 0.000 0.980 516 A HN 1.242 nan 8.150 nan 0.000 0.506 517 L N 4.534 125.781 121.223 0.040 0.000 2.376 517 L HA 0.169 4.509 4.340 -0.000 0.000 0.250 517 L C 1.218 178.104 176.870 0.026 0.000 1.335 517 L CA 0.633 55.489 54.840 0.027 0.000 1.214 517 L CB -1.160 40.898 42.059 -0.001 0.000 1.395 517 L HN 0.879 nan 8.230 nan 0.000 0.424 518 T N 2.538 117.111 114.554 0.031 0.000 2.577 518 T HA -0.034 4.316 4.350 -0.000 0.000 0.241 518 T C -0.712 174.003 174.700 0.026 0.000 1.163 518 T CA 1.320 63.434 62.100 0.024 0.000 1.401 518 T CB -0.888 67.990 68.868 0.016 0.000 0.956 518 T HN 0.311 nan 8.240 nan 0.000 0.397 519 P HA 0.005 nan 4.420 nan 0.000 0.214 519 P C 1.065 178.394 177.300 0.049 0.000 1.163 519 P CA 1.705 64.829 63.100 0.040 0.000 0.889 519 P CB -0.704 31.025 31.700 0.048 0.000 0.790 520 G N -0.965 107.864 108.800 0.047 0.000 2.801 520 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.244 520 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.244 520 G C -2.512 172.415 174.900 0.046 0.000 1.385 520 G CA -0.630 44.495 45.100 0.041 0.000 0.894 520 G HN 0.075 nan 8.290 nan 0.000 0.562 521 P HA 0.201 nan 4.420 nan 0.000 0.266 521 P C -2.109 175.206 177.300 0.024 0.000 1.186 521 P CA -0.277 62.826 63.100 0.006 0.000 0.767 521 P CB 0.040 31.715 31.700 -0.041 0.000 0.820 522 P HA 0.082 nan 4.420 nan 0.000 0.256 522 P C -0.388 176.946 177.300 0.056 0.000 1.189 522 P CA 1.351 64.495 63.100 0.074 0.000 0.808 522 P CB -0.099 31.685 31.700 0.139 0.000 0.793 523 M N 2.131 121.773 119.600 0.070 0.000 2.501 523 M HA 0.531 5.011 4.480 -0.000 0.000 0.293 523 M C -0.145 176.197 176.300 0.071 0.000 1.192 523 M CA -1.074 54.264 55.300 0.064 0.000 0.886 523 M CB 2.501 35.129 32.600 0.047 0.000 1.710 523 M HN 0.110 nan 8.290 nan 0.000 0.457 524 A N 1.594 124.452 122.820 0.064 0.000 2.540 524 A HA 0.442 4.762 4.320 -0.000 0.000 0.239 524 A C 0.046 177.664 177.584 0.057 0.000 1.061 524 A CA 0.496 52.568 52.037 0.059 0.000 0.758 524 A CB 0.177 19.202 19.000 0.042 0.000 0.991 524 A HN 0.789 nan 8.150 nan 0.000 0.502 525 T N 0.120 114.715 114.554 0.068 0.000 2.841 525 T HA 0.669 5.018 4.350 -0.000 0.000 0.276 525 T C 0.756 175.497 174.700 0.068 0.000 1.003 525 T CA 0.232 62.376 62.100 0.073 0.000 0.995 525 T CB 1.122 70.050 68.868 0.100 0.000 1.260 525 T HN 1.276 nan 8.240 nan 0.000 0.581 526 A N 0.065 122.932 122.820 0.078 0.000 2.262 526 A HA 0.670 4.990 4.320 -0.000 0.000 0.273 526 A C 0.785 178.418 177.584 0.081 0.000 1.202 526 A CA 0.131 52.211 52.037 0.072 0.000 0.811 526 A CB -0.769 18.283 19.000 0.086 0.000 1.159 526 A HN 0.925 nan 8.150 nan 0.000 0.505 527 G N -2.266 106.573 108.800 0.065 0.000 2.502 527 G HA2 0.493 4.453 3.960 -0.000 0.000 0.305 527 G HA3 0.493 4.453 3.960 -0.000 0.000 0.305 527 G C -2.219 172.724 174.900 0.072 0.000 1.190 527 G CA -1.009 44.130 45.100 0.064 0.000 0.933 527 G HN 0.375 nan 8.290 nan 0.000 0.503 528 P HA 0.082 nan 4.420 nan 0.000 0.222 528 P C 1.520 178.830 177.300 0.017 0.000 1.153 528 P CA 1.322 64.483 63.100 0.100 0.000 0.798 528 P CB 0.500 32.282 31.700 0.137 0.000 0.796 529 A N -1.019 121.806 122.820 0.010 0.000 2.044 529 A HA 0.053 4.373 4.320 -0.000 0.000 0.213 529 A C 0.555 178.109 177.584 -0.050 0.000 1.169 529 A CA 0.221 52.245 52.037 -0.022 0.000 0.724 529 A CB -0.874 18.131 19.000 0.008 0.000 0.840 529 A HN 0.073 nan 8.150 nan 0.000 0.463 530 D N 0.877 121.261 120.400 -0.026 0.000 2.506 530 D HA 0.094 4.734 4.640 -0.000 0.000 0.234 530 D C 1.524 177.795 176.300 -0.048 0.000 1.143 530 D CA 0.921 54.909 54.000 -0.019 0.000 0.871 530 D CB 0.693 41.499 40.800 0.010 0.000 1.190 530 D HN 0.349 nan 8.370 nan 0.000 0.459 531 S N 0.687 116.372 115.700 -0.024 0.000 2.447 531 S HA -0.130 4.340 4.470 -0.000 0.000 0.233 531 S C 0.906 175.541 174.600 0.058 0.000 1.006 531 S CA 0.647 58.836 58.200 -0.018 0.000 0.957 531 S CB 0.093 63.295 63.200 0.003 0.000 0.773 531 S HN 0.217 nan 8.310 nan 0.000 0.507 532 K N 1.578 122.024 120.400 0.075 0.000 2.144 532 K HA 0.598 4.918 4.320 -0.000 0.000 0.270 532 K C -0.377 176.359 176.600 0.228 0.000 1.005 532 K CA -0.690 55.679 56.287 0.137 0.000 0.932 532 K CB 0.600 33.130 32.500 0.050 0.000 1.021 532 K HN 0.420 nan 8.250 nan 0.000 0.462 533 F N -1.001 118.981 119.950 0.053 0.000 3.016 533 F HA 0.773 5.300 4.527 -0.000 0.000 0.324 533 F C -0.683 175.227 175.800 0.184 0.000 1.196 533 F CA -0.779 57.288 58.000 0.111 0.000 0.929 533 F CB 0.973 40.059 39.000 0.144 0.000 1.440 533 F HN 0.516 nan 8.300 nan 0.000 0.505 534 S N 0.211 115.816 115.700 -0.159 0.000 2.683 534 S HA 0.329 4.799 4.470 -0.000 0.000 0.264 534 S C -1.666 172.949 174.600 0.025 0.000 1.066 534 S CA -1.068 56.993 58.200 -0.232 0.000 0.846 534 S CB 0.392 63.534 63.200 -0.097 0.000 1.114 534 S HN 0.964 nan 8.310 nan 0.000 0.476 535 N N 0.713 119.427 118.700 0.023 0.000 2.250 535 N HA 0.330 5.070 4.740 -0.000 0.000 0.256 535 N C 0.887 176.430 175.510 0.056 0.000 1.302 535 N CA 1.197 54.277 53.050 0.051 0.000 0.894 535 N CB -0.279 38.229 38.487 0.035 0.000 1.067 535 N HN 0.987 nan 8.380 nan 0.000 0.487 536 S N -1.745 113.983 115.700 0.047 0.000 2.608 536 S HA -0.212 4.257 4.470 -0.000 0.000 0.256 536 S C -0.348 174.296 174.600 0.074 0.000 1.270 536 S CA 1.068 59.302 58.200 0.057 0.000 1.465 536 S CB -0.893 62.340 63.200 0.054 0.000 1.833 536 S HN 0.646 nan 8.310 nan 0.000 0.641 537 Q N 0.228 120.078 119.800 0.083 0.000 2.333 537 Q HA 0.586 4.926 4.340 -0.000 0.000 0.268 537 Q C -0.593 175.402 176.000 -0.008 0.000 1.007 537 Q CA -0.378 55.481 55.803 0.093 0.000 0.810 537 Q CB 1.538 30.403 28.738 0.211 0.000 1.264 537 Q HN 0.383 nan 8.270 nan 0.000 0.452 538 L N 4.006 125.166 121.223 -0.104 0.000 2.410 538 L HA 0.303 4.643 4.340 -0.000 0.000 0.273 538 L C -0.229 176.378 176.870 -0.439 0.000 1.152 538 L CA 0.207 54.857 54.840 -0.317 0.000 0.855 538 L CB 0.260 42.088 42.059 -0.385 0.000 1.129 538 L HN 0.473 nan 8.230 nan 0.000 0.463 539 I N 3.317 123.535 120.570 -0.586 0.000 2.436 539 I HA 0.388 4.558 4.170 -0.000 0.000 0.289 539 I C -0.627 175.086 176.117 -0.674 0.000 1.010 539 I CA -0.338 60.603 61.300 -0.599 0.000 1.098 539 I CB 1.521 39.162 38.000 -0.598 0.000 1.266 539 I HN 0.330 nan 8.210 nan 0.000 0.434 540 F N 3.331 123.131 119.950 -0.250 0.000 2.541 540 F HA 0.700 5.227 4.527 -0.000 0.000 0.331 540 F C 0.711 176.412 175.800 -0.166 0.000 1.057 540 F CA -0.841 57.061 58.000 -0.164 0.000 0.975 540 F CB 1.364 40.297 39.000 -0.111 0.000 1.246 540 F HN 0.402 nan 8.300 nan 0.000 0.484 541 A N 0.957 123.829 122.820 0.088 0.000 2.462 541 A HA 0.518 4.838 4.320 -0.000 0.000 0.243 541 A C 0.564 178.141 177.584 -0.011 0.000 1.076 541 A CA 0.217 52.254 52.037 0.000 0.000 0.773 541 A CB -0.384 18.615 19.000 -0.001 0.000 1.010 541 A HN 0.944 nan 8.150 nan 0.000 0.493 542 G N 1.242 110.015 108.800 -0.044 0.000 2.653 542 G HA2 0.418 4.377 3.960 -0.000 0.000 0.265 542 G HA3 0.418 4.377 3.960 -0.000 0.000 0.265 542 G C -1.646 173.198 174.900 -0.094 0.000 1.237 542 G CA -0.702 44.361 45.100 -0.062 0.000 0.946 542 G HN 0.468 nan 8.290 nan 0.000 0.522 543 P HA 0.053 nan 4.420 nan 0.000 0.217 543 P C 1.327 178.550 177.300 -0.129 0.000 1.151 543 P CA 1.251 64.248 63.100 -0.172 0.000 0.828 543 P CB 0.246 31.808 31.700 -0.230 0.000 0.788 544 K N -1.253 119.085 120.400 -0.103 0.000 2.374 544 K HA 0.096 4.416 4.320 -0.000 0.000 0.196 544 K C 0.639 177.201 176.600 -0.062 0.000 1.023 544 K CA -0.003 56.236 56.287 -0.080 0.000 1.103 544 K CB 0.176 32.632 32.500 -0.073 0.000 0.848 544 K HN 0.015 nan 8.250 nan 0.000 0.528 545 Q N 2.093 121.857 119.800 -0.061 0.000 2.361 545 Q HA 0.120 4.460 4.340 -0.000 0.000 0.250 545 Q C -0.999 174.974 176.000 -0.045 0.000 1.023 545 Q CA 0.209 55.983 55.803 -0.049 0.000 0.915 545 Q CB 0.389 29.097 28.738 -0.049 0.000 1.238 545 Q HN 0.209 nan 8.270 nan 0.000 0.451 546 N N 2.834 121.511 118.700 -0.039 0.000 2.813 546 N HA 0.436 5.176 4.740 -0.000 0.000 0.282 546 N C -0.512 174.982 175.510 -0.028 0.000 1.748 546 N CA -0.147 52.883 53.050 -0.033 0.000 0.860 546 N CB 1.528 39.996 38.487 -0.032 0.000 1.204 546 N HN 0.560 nan 8.380 nan 0.000 0.490 547 G N 0.321 109.104 108.800 -0.029 0.000 2.601 547 G HA2 0.070 4.030 3.960 -0.000 0.000 0.291 547 G HA3 0.070 4.030 3.960 -0.000 0.000 0.291 547 G C 0.030 174.913 174.900 -0.029 0.000 1.456 547 G CA -0.564 44.520 45.100 -0.027 0.000 0.804 547 G HN 0.066 nan 8.290 nan 0.000 0.499 548 N N -0.446 118.238 118.700 -0.027 0.000 2.571 548 N HA 0.035 4.775 4.740 -0.000 0.000 0.189 548 N C 0.608 176.098 175.510 -0.032 0.000 1.154 548 N CA 1.066 54.099 53.050 -0.029 0.000 0.907 548 N CB 0.676 39.147 38.487 -0.025 0.000 0.977 548 N HN 0.571 nan 8.380 nan 0.000 0.449 549 T N -0.958 113.577 114.554 -0.031 0.000 2.883 549 T HA 0.730 5.080 4.350 -0.000 0.000 0.301 549 T C -1.894 172.787 174.700 -0.033 0.000 1.158 549 T CA -0.655 61.426 62.100 -0.032 0.000 1.007 549 T CB 1.900 70.753 68.868 -0.025 0.000 1.186 549 T HN 0.091 nan 8.240 nan 0.000 0.499 550 A N 1.455 124.254 122.820 -0.035 0.000 2.612 550 A HA 0.700 5.020 4.320 -0.000 0.000 0.293 550 A C 0.226 177.794 177.584 -0.027 0.000 1.075 550 A CA -0.477 51.540 52.037 -0.033 0.000 0.680 550 A CB 1.342 20.317 19.000 -0.042 0.000 1.279 550 A HN 0.765 nan 8.150 nan 0.000 0.411 551 T N 0.083 114.625 114.554 -0.021 0.000 3.016 551 T HA 0.227 4.577 4.350 -0.000 0.000 0.271 551 T C -0.205 174.487 174.700 -0.013 0.000 0.968 551 T CA 0.551 62.642 62.100 -0.015 0.000 0.891 551 T CB 0.211 69.071 68.868 -0.012 0.000 1.149 551 T HN 0.601 nan 8.240 nan 0.000 0.524 552 V N 3.427 123.333 119.914 -0.013 0.000 2.304 552 V HA 0.254 4.374 4.120 -0.000 0.000 0.269 552 V C -1.755 174.342 176.094 0.006 0.000 1.036 552 V CA -1.904 60.390 62.300 -0.009 0.000 0.840 552 V CB 1.096 32.913 31.823 -0.011 0.000 1.036 552 V HN 0.024 nan 8.190 nan 0.000 0.466 553 P HA -0.192 nan 4.420 nan 0.000 0.218 553 P C 1.730 179.105 177.300 0.125 0.000 1.154 553 P CA 1.841 64.985 63.100 0.074 0.000 0.872 553 P CB 0.196 31.853 31.700 -0.072 0.000 0.790 554 G N -1.953 106.871 108.800 0.039 0.000 2.586 554 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.215 554 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.215 554 G C 1.505 176.424 174.900 0.032 0.000 1.128 554 G CA 1.163 46.285 45.100 0.037 0.000 0.774 554 G HN 0.261 nan 8.290 nan 0.000 0.543 555 T N -0.178 114.390 114.554 0.023 0.000 3.054 555 T HA 0.281 4.630 4.350 -0.000 0.000 0.259 555 T C 1.141 175.832 174.700 -0.014 0.000 1.092 555 T CA 0.005 62.101 62.100 -0.007 0.000 1.121 555 T CB -0.152 68.704 68.868 -0.019 0.000 0.912 555 T HN 0.102 nan 8.240 nan 0.000 0.489 556 L N 0.547 121.773 121.223 0.006 0.000 2.492 556 L HA 0.615 4.955 4.340 -0.000 0.000 0.263 556 L C -0.333 176.531 176.870 -0.009 0.000 1.062 556 L CA -1.340 53.463 54.840 -0.062 0.000 0.817 556 L CB 1.162 43.090 42.059 -0.217 0.000 1.441 556 L HN -0.020 nan 8.230 nan 0.000 0.493 557 I N 0.310 120.822 120.570 -0.096 0.000 2.418 557 I HA 0.307 4.477 4.170 -0.000 0.000 0.287 557 I C -1.219 174.845 176.117 -0.089 0.000 1.008 557 I CA -0.243 61.072 61.300 0.026 0.000 1.104 557 I CB 1.523 39.574 38.000 0.085 0.000 1.264 557 I HN 0.218 nan 8.210 nan 0.000 0.438 558 F N 3.742 123.709 119.950 0.029 0.000 2.415 558 F HA 0.390 4.917 4.527 -0.000 0.000 0.348 558 F C 1.001 176.822 175.800 0.035 0.000 1.119 558 F CA -0.251 57.760 58.000 0.018 0.000 1.069 558 F CB 1.720 40.723 39.000 0.005 0.000 1.124 558 F HN 0.328 nan 8.300 nan 0.000 0.472 559 T N 1.466 116.090 114.554 0.117 0.000 2.824 559 T HA 0.528 4.877 4.350 -0.000 0.000 0.277 559 T C -0.688 174.091 174.700 0.131 0.000 0.975 559 T CA -0.378 61.722 62.100 0.001 0.000 0.966 559 T CB 1.168 69.873 68.868 -0.272 0.000 1.054 559 T HN 0.553 nan 8.240 nan 0.000 0.533 560 S N 0.316 116.120 115.700 0.173 0.000 2.563 560 S HA 0.302 4.771 4.470 -0.000 0.000 0.279 560 S C -1.001 173.725 174.600 0.210 0.000 1.155 560 S CA -0.617 57.696 58.200 0.187 0.000 0.928 560 S CB 1.084 64.381 63.200 0.162 0.000 1.107 560 S HN 0.562 nan 8.310 nan 0.000 0.462 561 E N 2.739 123.038 120.200 0.165 0.000 2.496 561 E HA 0.097 4.447 4.350 -0.000 0.000 0.202 561 E C 1.312 177.967 176.600 0.093 0.000 1.021 561 E CA 0.005 56.488 56.400 0.139 0.000 1.015 561 E CB 0.183 29.963 29.700 0.133 0.000 1.102 561 E HN 0.897 nan 8.360 nan 0.000 0.452 562 E N 0.590 120.841 120.200 0.085 0.000 2.219 562 E HA -0.258 4.091 4.350 -0.000 0.000 0.198 562 E C 0.839 177.464 176.600 0.041 0.000 0.998 562 E CA 1.327 57.762 56.400 0.058 0.000 0.818 562 E CB -0.090 29.642 29.700 0.053 0.000 0.741 562 E HN 0.110 nan 8.360 nan 0.000 0.477 563 E N 1.242 121.460 120.200 0.031 0.000 2.153 563 E HA -0.104 4.245 4.350 -0.000 0.000 0.194 563 E C 1.925 178.539 176.600 0.022 0.000 0.988 563 E CA 1.081 57.484 56.400 0.005 0.000 0.811 563 E CB -0.207 29.469 29.700 -0.040 0.000 0.746 563 E HN 0.372 nan 8.360 nan 0.000 0.466 564 L N 0.258 121.505 121.223 0.040 0.000 2.549 564 L HA 0.023 4.363 4.340 -0.000 0.000 0.229 564 L C 1.886 178.798 176.870 0.070 0.000 1.158 564 L CA 0.376 55.256 54.840 0.066 0.000 0.842 564 L CB -0.558 41.550 42.059 0.080 0.000 0.952 564 L HN 0.113 nan 8.230 nan 0.000 0.452 565 A N 0.303 123.153 122.820 0.050 0.000 2.276 565 A HA 0.149 4.469 4.320 -0.000 0.000 0.205 565 A C 2.100 179.702 177.584 0.030 0.000 1.234 565 A CA 1.190 53.246 52.037 0.033 0.000 0.797 565 A CB -0.391 18.623 19.000 0.022 0.000 0.769 565 A HN 0.412 nan 8.150 nan 0.000 0.491 566 A N -1.469 121.384 122.820 0.054 0.000 2.288 566 A HA 0.299 4.619 4.320 -0.000 0.000 0.216 566 A C 1.737 179.328 177.584 0.011 0.000 1.199 566 A CA 1.467 53.526 52.037 0.037 0.000 0.891 566 A CB 0.109 19.157 19.000 0.081 0.000 0.923 566 A HN 0.624 nan 8.150 nan 0.000 0.500 567 T N -3.712 110.872 114.554 0.051 0.000 3.236 567 T HA 0.181 4.531 4.350 -0.000 0.000 0.265 567 T C 0.247 175.012 174.700 0.108 0.000 0.912 567 T CA -0.085 62.053 62.100 0.063 0.000 0.946 567 T CB -0.245 68.670 68.868 0.079 0.000 1.241 567 T HN 0.186 nan 8.240 nan 0.000 0.513 568 N N 1.723 120.490 118.700 0.113 0.000 2.482 568 N HA 0.755 5.495 4.740 -0.000 0.000 0.279 568 N C -0.338 175.201 175.510 0.049 0.000 1.182 568 N CA -0.328 52.792 53.050 0.116 0.000 0.969 568 N CB 0.888 39.452 38.487 0.129 0.000 1.201 568 N HN 0.580 nan 8.380 nan 0.000 0.523 569 A N -0.265 122.582 122.820 0.045 0.000 2.287 569 A HA 0.493 4.812 4.320 -0.000 0.000 0.273 569 A C -0.157 177.437 177.584 0.016 0.000 1.091 569 A CA -0.385 51.645 52.037 -0.011 0.000 0.817 569 A CB -0.068 18.934 19.000 0.003 0.000 1.069 569 A HN 0.587 nan 8.150 nan 0.000 0.492 570 T N 1.667 116.219 114.554 -0.003 0.000 2.832 570 T HA 0.223 4.572 4.350 -0.000 0.000 0.296 570 T C 1.079 175.787 174.700 0.014 0.000 0.968 570 T CA 0.296 62.401 62.100 0.008 0.000 1.107 570 T CB 0.930 69.796 68.868 -0.005 0.000 0.916 570 T HN 0.776 nan 8.240 nan 0.000 0.517 571 D N 3.341 123.753 120.400 0.020 0.000 2.127 571 D HA -0.249 4.390 4.640 -0.000 0.000 0.190 571 D C 2.039 178.335 176.300 -0.006 0.000 1.000 571 D CA 2.421 56.429 54.000 0.014 0.000 0.839 571 D CB -1.098 39.714 40.800 0.021 0.000 0.955 571 D HN 0.641 nan 8.370 nan 0.000 0.446 572 T N -2.843 111.700 114.554 -0.019 0.000 2.985 572 T HA -0.076 4.274 4.350 -0.000 0.000 0.266 572 T C 1.234 175.910 174.700 -0.041 0.000 1.076 572 T CA 0.997 63.069 62.100 -0.046 0.000 1.135 572 T CB -0.116 68.715 68.868 -0.062 0.000 0.890 572 T HN 0.083 nan 8.240 nan 0.000 0.480 573 D N 1.589 121.974 120.400 -0.025 0.000 2.063 573 D HA 0.330 4.970 4.640 -0.000 0.000 0.289 573 D C 0.648 176.945 176.300 -0.005 0.000 1.111 573 D CA 0.212 54.199 54.000 -0.021 0.000 1.023 573 D CB 0.315 41.101 40.800 -0.022 0.000 1.152 573 D HN 0.587 nan 8.370 nan 0.000 0.465 574 M N -2.951 116.654 119.600 0.008 0.000 2.843 574 M HA 0.328 4.808 4.480 -0.000 0.000 0.273 574 M C -0.380 175.970 176.300 0.084 0.000 1.286 574 M CA -0.934 54.398 55.300 0.053 0.000 0.807 574 M CB 1.814 34.444 32.600 0.050 0.000 1.684 574 M HN 0.364 nan 8.290 nan 0.000 0.458 575 W N 0.646 121.934 121.300 -0.020 0.000 2.481 575 W HA 0.518 5.178 4.660 -0.001 0.000 0.293 575 W C 0.495 177.013 176.519 -0.003 0.000 1.201 575 W CA 2.265 59.603 57.345 -0.012 0.000 1.328 575 W CB 0.371 29.820 29.460 -0.018 0.000 1.112 575 W HN 0.967 nan 8.180 nan 0.000 0.546 576 G N -0.770 108.180 108.800 0.250 0.000 2.364 576 G HA2 0.274 4.234 3.960 -0.000 0.000 0.286 576 G HA3 0.274 4.234 3.960 -0.000 0.000 0.286 576 G C -1.911 173.090 174.900 0.169 0.000 1.241 576 G CA -0.945 44.225 45.100 0.117 0.000 0.887 576 G HN -0.005 nan 8.290 nan 0.000 0.484 577 N N -1.145 117.641 118.700 0.143 0.000 2.284 577 N HA 0.787 5.527 4.740 -0.000 0.000 0.289 577 N C -1.084 174.490 175.510 0.106 0.000 1.179 577 N CA -0.543 52.569 53.050 0.102 0.000 0.774 577 N CB 2.530 41.049 38.487 0.053 0.000 1.548 577 N HN 0.497 nan 8.380 nan 0.000 0.473 578 L N 1.198 122.466 121.223 0.075 0.000 2.354 578 L HA 0.709 5.048 4.340 -0.000 0.000 0.264 578 L C -2.328 174.565 176.870 0.038 0.000 1.008 578 L CA -1.927 52.949 54.840 0.059 0.000 0.819 578 L CB 2.726 44.812 42.059 0.046 0.000 1.339 578 L HN 0.364 nan 8.230 nan 0.000 0.420 579 P HA 0.123 nan 4.420 nan 0.000 0.284 579 P C 0.099 177.409 177.300 0.017 0.000 1.253 579 P CA -0.318 62.796 63.100 0.023 0.000 0.800 579 P CB 1.402 33.116 31.700 0.023 0.000 0.961 580 G N 1.120 109.927 108.800 0.012 0.000 3.088 580 G HA2 0.413 4.373 3.960 -0.000 0.000 0.212 580 G HA3 0.413 4.373 3.960 -0.000 0.000 0.212 580 G C 0.584 175.488 174.900 0.006 0.000 1.173 580 G CA 0.246 45.351 45.100 0.008 0.000 0.779 580 G HN 0.842 nan 8.290 nan 0.000 0.540 581 G N -0.760 108.045 108.800 0.008 0.000 2.428 581 G HA2 0.369 4.329 3.960 -0.000 0.000 0.304 581 G HA3 0.369 4.329 3.960 -0.000 0.000 0.304 581 G C -2.122 172.783 174.900 0.010 0.000 1.303 581 G CA -0.753 44.352 45.100 0.007 0.000 0.825 581 G HN -0.045 nan 8.290 nan 0.000 0.484 582 D N 1.563 121.968 120.400 0.009 0.000 2.359 582 D HA 0.374 5.014 4.640 -0.000 0.000 0.230 582 D C 0.501 176.807 176.300 0.010 0.000 1.118 582 D CA -0.078 53.929 54.000 0.011 0.000 0.844 582 D CB 1.897 42.704 40.800 0.011 0.000 1.059 582 D HN 0.553 nan 8.370 nan 0.000 0.493 583 Q N 1.284 121.091 119.800 0.011 0.000 2.386 583 Q HA 0.236 4.576 4.340 -0.000 0.000 0.282 583 Q C -0.401 175.604 176.000 0.008 0.000 1.050 583 Q CA -0.068 55.741 55.803 0.009 0.000 0.918 583 Q CB 0.993 29.736 28.738 0.010 0.000 1.266 583 Q HN 0.248 nan 8.270 nan 0.000 0.423 584 S N 0.637 116.340 115.700 0.005 0.000 2.671 584 S HA 0.371 4.841 4.470 -0.000 0.000 0.277 584 S C 0.102 174.703 174.600 0.002 0.000 1.165 584 S CA -0.354 57.849 58.200 0.005 0.000 0.822 584 S CB 0.644 63.847 63.200 0.005 0.000 1.150 584 S HN 0.865 nan 8.310 nan 0.000 0.479 585 N N 0.899 119.600 118.700 0.001 0.000 2.512 585 N HA -0.037 4.702 4.740 -0.000 0.000 0.183 585 N C 0.722 176.231 175.510 -0.001 0.000 1.073 585 N CA 1.063 54.113 53.050 -0.001 0.000 0.911 585 N CB -0.274 38.213 38.487 -0.001 0.000 0.964 585 N HN 0.569 nan 8.380 nan 0.000 0.447 586 S N -1.185 114.515 115.700 0.000 0.000 2.843 586 S HA 0.236 4.706 4.470 -0.000 0.000 0.249 586 S C -0.194 174.407 174.600 0.001 0.000 1.047 586 S CA -0.889 57.311 58.200 0.000 0.000 1.042 586 S CB -0.304 62.897 63.200 0.001 0.000 0.936 586 S HN 0.352 nan 8.310 nan 0.000 0.531 587 N N 0.948 119.648 118.700 0.001 0.000 2.864 587 N HA 0.136 4.876 4.740 -0.000 0.000 0.247 587 N C -2.192 173.319 175.510 0.002 0.000 1.071 587 N CA -0.253 52.798 53.050 0.001 0.000 1.056 587 N CB 1.655 40.143 38.487 0.002 0.000 1.661 587 N HN 0.399 nan 8.380 nan 0.000 0.570 588 L N 4.493 125.716 121.223 0.001 0.000 2.294 588 L HA 0.671 5.010 4.340 -0.000 0.000 0.283 588 L C -2.291 174.581 176.870 0.003 0.000 1.015 588 L CA -1.250 53.591 54.840 0.001 0.000 0.831 588 L CB 1.149 43.207 42.059 -0.000 0.000 1.217 588 L HN 0.399 nan 8.230 nan 0.000 0.420 589 P HA 0.067 nan 4.420 nan 0.000 0.270 589 P C -0.542 176.761 177.300 0.005 0.000 1.223 589 P CA -0.202 62.901 63.100 0.005 0.000 0.785 589 P CB 0.525 32.230 31.700 0.008 0.000 0.923 590 T N 0.722 115.279 114.554 0.005 0.000 2.928 590 T HA 0.088 4.438 4.350 -0.000 0.000 0.305 590 T C -0.067 174.637 174.700 0.007 0.000 1.035 590 T CA -0.367 61.735 62.100 0.004 0.000 1.145 590 T CB -0.181 68.688 68.868 0.003 0.000 0.963 590 T HN 0.048 nan 8.240 nan 0.000 0.545 591 V N 6.926 126.844 119.914 0.007 0.000 2.322 591 V HA 0.219 4.338 4.120 -0.000 0.000 0.258 591 V C 0.525 176.627 176.094 0.012 0.000 1.074 591 V CA -0.628 61.678 62.300 0.011 0.000 0.909 591 V CB 0.409 32.238 31.823 0.009 0.000 1.090 591 V HN 0.916 nan 8.190 nan 0.000 0.486 592 D N 4.435 124.844 120.400 0.016 0.000 2.360 592 D HA 0.263 4.903 4.640 -0.000 0.000 0.242 592 D C 0.309 176.623 176.300 0.025 0.000 1.184 592 D CA -0.220 53.789 54.000 0.015 0.000 0.930 592 D CB 0.992 41.800 40.800 0.013 0.000 1.161 592 D HN 0.440 nan 8.370 nan 0.000 0.447 593 R N 0.898 121.410 120.500 0.020 0.000 2.229 593 R HA 0.382 4.721 4.340 -0.000 0.000 0.332 593 R C -0.202 176.123 176.300 0.041 0.000 0.989 593 R CA -0.587 55.531 56.100 0.030 0.000 0.842 593 R CB 0.950 31.258 30.300 0.013 0.000 1.119 593 R HN 0.260 nan 8.270 nan 0.000 0.456 594 L N 3.355 124.628 121.223 0.084 0.000 2.401 594 L HA 0.063 4.403 4.340 -0.000 0.000 0.283 594 L C 0.568 177.501 176.870 0.104 0.000 1.151 594 L CA 0.218 55.118 54.840 0.100 0.000 0.942 594 L CB 0.695 42.882 42.059 0.214 0.000 1.283 594 L HN 0.830 nan 8.230 nan 0.000 0.442 595 T N 1.933 116.510 114.554 0.038 0.000 2.937 595 T HA 0.142 4.492 4.350 -0.000 0.000 0.260 595 T C 0.536 175.242 174.700 0.010 0.000 1.051 595 T CA 0.813 62.927 62.100 0.024 0.000 1.141 595 T CB 0.264 69.125 68.868 -0.012 0.000 0.879 595 T HN 0.559 nan 8.240 nan 0.000 0.459 596 A N 0.928 123.729 122.820 -0.031 0.000 2.359 596 A HA 0.762 5.081 4.320 -0.000 0.000 0.303 596 A C -1.357 176.147 177.584 -0.134 0.000 1.066 596 A CA -0.553 51.443 52.037 -0.068 0.000 0.730 596 A CB 1.106 20.059 19.000 -0.078 0.000 1.211 596 A HN 0.380 nan 8.150 nan 0.000 0.439 597 L N 2.903 124.005 121.223 -0.202 0.000 2.470 597 L HA 0.642 4.982 4.340 -0.000 0.000 0.268 597 L C 0.607 177.281 176.870 -0.326 0.000 0.964 597 L CA -0.523 54.107 54.840 -0.351 0.000 0.839 597 L CB 1.987 43.620 42.059 -0.710 0.000 1.276 597 L HN 0.941 nan 8.230 nan 0.000 0.403 598 G N 2.155 110.781 108.800 -0.291 0.000 2.508 598 G HA2 0.544 4.504 3.960 -0.000 0.000 0.278 598 G HA3 0.544 4.504 3.960 -0.000 0.000 0.278 598 G C -0.129 174.596 174.900 -0.292 0.000 1.389 598 G CA -0.087 44.841 45.100 -0.286 0.000 1.050 598 G HN 0.789 nan 8.290 nan 0.000 0.522 599 A N -1.596 121.038 122.820 -0.309 0.000 2.498 599 A HA 0.494 4.814 4.320 -0.000 0.000 0.239 599 A C -0.334 177.193 177.584 -0.095 0.000 1.068 599 A CA 0.156 52.086 52.037 -0.178 0.000 0.766 599 A CB 0.307 19.178 19.000 -0.214 0.000 1.003 599 A HN 1.037 nan 8.150 nan 0.000 0.497 600 V N 4.398 124.314 119.914 0.004 0.000 2.711 600 V HA 0.300 4.420 4.120 -0.000 0.000 0.304 600 V C -2.532 173.632 176.094 0.118 0.000 1.097 600 V CA -1.347 60.964 62.300 0.018 0.000 0.906 600 V CB 2.010 33.802 31.823 -0.052 0.000 1.015 600 V HN 0.847 nan 8.190 nan 0.000 0.427 601 P HA 0.152 nan 4.420 nan 0.000 0.257 601 P C 0.945 178.362 177.300 0.194 0.000 1.153 601 P CA 1.936 65.129 63.100 0.154 0.000 0.762 601 P CB 0.161 31.924 31.700 0.104 0.000 0.743 602 G N 1.960 110.933 108.800 0.288 0.000 2.179 602 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.220 602 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.220 602 G C 0.195 175.381 174.900 0.477 0.000 0.990 602 G CA -0.346 44.995 45.100 0.402 0.000 0.646 602 G HN 0.446 nan 8.290 nan 0.000 0.517 603 M N 0.644 120.485 119.600 0.402 0.000 2.228 603 M HA 0.585 5.065 4.480 -0.000 0.000 0.326 603 M C 0.661 177.216 176.300 0.426 0.000 1.122 603 M CA -0.188 55.380 55.300 0.447 0.000 1.161 603 M CB 1.594 34.467 32.600 0.454 0.000 1.437 603 M HN 0.672 nan 8.290 nan 0.000 0.465 604 V N -0.463 119.695 119.914 0.408 0.000 3.120 604 V HA 0.929 5.049 4.120 -0.000 0.000 0.303 604 V C -2.079 174.217 176.094 0.336 0.000 1.238 604 V CA -0.679 61.691 62.300 0.116 0.000 1.008 604 V CB 1.754 33.511 31.823 -0.110 0.000 1.064 604 V HN 1.150 nan 8.190 nan 0.000 0.434 605 W N 1.408 122.693 121.300 -0.025 0.000 2.982 605 W HA 0.818 5.478 4.660 -0.000 0.000 0.344 605 W C -1.438 175.076 176.519 -0.009 0.000 1.215 605 W CA -0.709 56.634 57.345 -0.004 0.000 1.182 605 W CB 1.318 30.781 29.460 0.005 0.000 1.437 605 W HN 0.864 nan 8.180 nan 0.000 0.570 606 Q N 1.694 121.651 119.800 0.262 0.000 2.248 606 Q HA 0.500 4.840 4.340 -0.000 0.000 0.263 606 Q C -0.642 175.516 176.000 0.264 0.000 1.007 606 Q CA -0.414 55.461 55.803 0.120 0.000 0.877 606 Q CB 1.254 30.027 28.738 0.059 0.000 1.315 606 Q HN 0.416 nan 8.270 nan 0.000 0.454 607 N N 0.836 119.637 118.700 0.169 0.000 2.485 607 N HA 0.316 5.056 4.740 -0.000 0.000 0.280 607 N C -0.828 174.778 175.510 0.160 0.000 1.205 607 N CA -0.580 52.614 53.050 0.241 0.000 0.959 607 N CB 0.882 39.529 38.487 0.267 0.000 1.206 607 N HN 0.540 nan 8.380 nan 0.000 0.545 608 R N 0.682 121.287 120.500 0.174 0.000 2.698 608 R HA -0.072 4.268 4.340 -0.000 0.000 0.266 608 R C -0.241 176.153 176.300 0.157 0.000 1.026 608 R CA 0.078 56.274 56.100 0.160 0.000 1.102 608 R CB 0.223 30.622 30.300 0.166 0.000 0.978 608 R HN 0.507 nan 8.270 nan 0.000 0.436 609 D N 1.872 122.347 120.400 0.126 0.000 2.372 609 D HA 0.154 4.794 4.640 -0.000 0.000 0.243 609 D C -0.257 175.919 176.300 -0.206 0.000 1.297 609 D CA -0.117 53.890 54.000 0.012 0.000 0.958 609 D CB 0.592 41.294 40.800 -0.163 0.000 1.114 609 D HN 0.428 nan 8.370 nan 0.000 0.496 610 I N 0.779 121.059 120.570 -0.483 0.000 2.562 610 I HA 0.349 4.519 4.170 -0.000 0.000 0.301 610 I C -1.226 174.484 176.117 -0.678 0.000 1.003 610 I CA -0.692 60.271 61.300 -0.562 0.000 1.127 610 I CB 0.857 38.327 38.000 -0.883 0.000 1.304 610 I HN 0.372 nan 8.210 nan 0.000 0.446 611 Y N 4.997 125.222 120.300 -0.126 0.000 2.485 611 Y HA 0.180 4.730 4.550 -0.000 0.000 0.345 611 Y C 0.337 175.919 175.900 -0.531 0.000 0.998 611 Y CA -0.362 57.642 58.100 -0.160 0.000 1.059 611 Y CB 1.060 39.501 38.460 -0.032 0.000 1.234 611 Y HN 0.527 nan 8.280 nan 0.000 0.461 612 Y N 1.826 121.627 120.300 -0.832 0.000 2.181 612 Y HA -0.278 4.271 4.550 -0.000 0.000 0.284 612 Y C 1.761 177.281 175.900 -0.633 0.000 1.179 612 Y CA 2.297 59.549 58.100 -1.413 0.000 1.179 612 Y CB 0.303 38.050 38.460 -1.188 0.000 0.973 612 Y HN 0.619 nan 8.280 nan 0.000 0.519 613 Q N 0.090 119.600 119.800 -0.485 0.000 2.201 613 Q HA 0.307 4.647 4.340 -0.000 0.000 0.236 613 Q C 0.482 176.268 176.000 -0.358 0.000 0.857 613 Q CA 0.355 55.822 55.803 -0.560 0.000 1.025 613 Q CB 0.022 28.564 28.738 -0.326 0.000 1.124 613 Q HN 0.400 nan 8.270 nan 0.000 0.473 614 G N 1.788 110.522 108.800 -0.111 0.000 2.557 614 G HA2 0.561 4.521 3.960 -0.000 0.000 0.302 614 G HA3 0.561 4.521 3.960 -0.000 0.000 0.302 614 G C -2.822 172.173 174.900 0.158 0.000 1.311 614 G CA -1.510 43.693 45.100 0.173 0.000 1.030 614 G HN 0.095 nan 8.290 nan 0.000 0.509 615 P HA 0.313 nan 4.420 nan 0.000 0.274 615 P C 0.323 177.717 177.300 0.157 0.000 1.246 615 P CA -0.328 62.791 63.100 0.033 0.000 0.795 615 P CB 1.294 33.014 31.700 0.033 0.000 1.006 616 I N -1.592 118.897 120.570 -0.136 0.000 3.300 616 I HA 0.218 4.388 4.170 -0.000 0.000 0.279 616 I C 0.284 176.690 176.117 0.482 0.000 1.172 616 I CA 0.499 61.820 61.300 0.035 0.000 1.431 616 I CB -0.091 37.731 38.000 -0.296 0.000 1.240 616 I HN 0.455 nan 8.210 nan 0.000 0.453 617 W N 0.764 122.271 121.300 0.344 0.000 3.038 617 W HA 0.822 5.482 4.660 -0.000 0.000 0.347 617 W C -1.418 175.271 176.519 0.283 0.000 1.219 617 W CA -1.391 56.176 57.345 0.370 0.000 1.142 617 W CB 0.764 30.471 29.460 0.411 0.000 1.484 617 W HN -0.140 nan 8.180 nan 0.000 0.586 618 A N 1.477 124.632 122.820 0.557 0.000 2.574 618 A HA 0.590 4.910 4.320 -0.000 0.000 0.297 618 A C -1.519 176.260 177.584 0.326 0.000 1.062 618 A CA -1.186 51.097 52.037 0.409 0.000 0.686 618 A CB 1.719 20.868 19.000 0.248 0.000 1.285 618 A HN 0.754 nan 8.150 nan 0.000 0.403 619 K N 2.597 123.141 120.400 0.239 0.000 2.322 619 K HA 0.492 4.811 4.320 -0.000 0.000 0.283 619 K C -0.700 175.918 176.600 0.030 0.000 1.042 619 K CA -0.285 56.007 56.287 0.009 0.000 0.958 619 K CB 0.268 32.623 32.500 -0.243 0.000 0.984 619 K HN 0.593 nan 8.250 nan 0.000 0.473 620 I N 6.653 127.201 120.570 -0.037 0.000 2.556 620 I HA 0.085 4.254 4.170 -0.000 0.000 0.284 620 I C -1.863 174.232 176.117 -0.038 0.000 1.114 620 I CA -2.208 59.049 61.300 -0.072 0.000 1.418 620 I CB 0.876 38.767 38.000 -0.182 0.000 1.394 620 I HN 0.541 nan 8.210 nan 0.000 0.552 621 P HA -0.074 nan 4.420 nan 0.000 0.265 621 P C -0.529 176.834 177.300 0.105 0.000 1.193 621 P CA 0.077 63.222 63.100 0.074 0.000 0.765 621 P CB 0.233 31.985 31.700 0.087 0.000 0.823 622 H N 2.630 121.727 119.070 0.046 0.000 3.392 622 H HA 0.242 4.798 4.556 -0.000 0.000 0.253 622 H C -0.203 175.178 175.328 0.087 0.000 1.682 622 H CA 0.409 56.493 56.048 0.059 0.000 1.535 622 H CB -1.008 28.789 29.762 0.059 0.000 1.823 622 H HN 0.235 nan 8.280 nan 0.000 0.576 623 T N 0.593 115.159 114.554 0.020 0.000 2.933 623 T HA 0.203 4.553 4.350 -0.000 0.000 0.305 623 T C -0.861 173.867 174.700 0.047 0.000 1.092 623 T CA -1.358 60.767 62.100 0.041 0.000 1.008 623 T CB 1.470 70.410 68.868 0.121 0.000 1.102 623 T HN 0.315 nan 8.240 nan 0.000 0.469 624 D N 1.634 122.035 120.400 0.000 0.000 2.412 624 D HA 0.439 5.079 4.640 -0.000 0.000 0.257 624 D C 1.113 177.419 176.300 0.009 0.000 1.217 624 D CA 0.699 54.695 54.000 -0.007 0.000 0.897 624 D CB -0.230 40.561 40.800 -0.015 0.000 1.132 624 D HN 1.353 nan 8.370 nan 0.000 0.493 625 G N 2.057 110.814 108.800 -0.071 0.000 2.764 625 G HA2 -0.003 3.956 3.960 -0.000 0.000 0.686 625 G HA3 -0.003 3.956 3.960 -0.000 0.000 0.686 625 G C -0.480 174.398 174.900 -0.037 0.000 1.258 625 G CA -0.308 44.676 45.100 -0.192 0.000 0.846 625 G HN 1.048 nan 8.290 nan 0.000 0.596 626 H N -0.903 118.239 119.070 0.120 0.000 3.365 626 H HA 0.745 5.301 4.556 -0.000 0.000 0.287 626 H C -1.458 174.044 175.328 0.291 0.000 1.597 626 H CA -0.607 55.542 56.048 0.169 0.000 1.192 626 H CB 1.315 31.155 29.762 0.129 0.000 1.829 626 H HN 1.376 nan 8.280 nan 0.000 0.739 627 F N 1.551 121.688 119.950 0.311 0.000 2.722 627 F HA 0.262 4.788 4.527 -0.000 0.000 0.336 627 F C -0.298 175.708 175.800 0.343 0.000 1.216 627 F CA -0.306 57.846 58.000 0.253 0.000 1.065 627 F CB 0.895 39.997 39.000 0.169 0.000 1.325 627 F HN 0.837 nan 8.300 nan 0.000 0.524 628 H N 5.790 124.641 119.070 -0.366 0.000 2.514 628 H HA -0.111 4.445 4.556 -0.000 0.000 0.318 628 H C -2.018 173.343 175.328 0.056 0.000 0.994 628 H CA 0.390 56.330 56.048 -0.180 0.000 1.056 628 H CB -0.162 29.468 29.762 -0.220 0.000 1.621 628 H HN 0.466 nan 8.280 nan 0.000 0.360 629 P HA -0.038 nan 4.420 nan 0.000 0.248 629 P C -0.246 177.059 177.300 0.008 0.000 1.553 629 P CA 0.679 63.775 63.100 -0.007 0.000 0.901 629 P CB -0.190 31.465 31.700 -0.075 0.000 1.816 630 S N 1.541 117.289 115.700 0.081 0.000 2.429 630 S HA 0.427 4.897 4.470 -0.000 0.000 0.302 630 S C -2.407 172.274 174.600 0.135 0.000 1.115 630 S CA -2.038 56.228 58.200 0.110 0.000 1.095 630 S CB 0.134 63.445 63.200 0.185 0.000 0.987 630 S HN -0.066 nan 8.310 nan 0.000 0.474 631 P HA 0.014 nan 4.420 nan 0.000 0.261 631 P C 0.707 178.081 177.300 0.123 0.000 1.173 631 P CA 0.282 63.457 63.100 0.125 0.000 0.760 631 P CB 0.348 32.131 31.700 0.139 0.000 0.783 632 L N 3.232 124.527 121.223 0.119 0.000 2.201 632 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 632 L C 1.934 178.866 176.870 0.103 0.000 1.105 632 L CA 1.154 56.062 54.840 0.114 0.000 0.775 632 L CB -0.368 41.752 42.059 0.101 0.000 0.913 632 L HN 0.467 nan 8.230 nan 0.000 0.440 633 I N -0.604 120.023 120.570 0.095 0.000 3.111 633 I HA 0.063 4.233 4.170 -0.000 0.000 0.272 633 I C 1.052 177.239 176.117 0.116 0.000 1.268 633 I CA 0.405 61.758 61.300 0.088 0.000 1.467 633 I CB -0.451 37.591 38.000 0.070 0.000 1.087 633 I HN 0.359 nan 8.210 nan 0.000 0.467 634 G N 0.226 109.091 108.800 0.109 0.000 2.515 634 G HA2 0.335 4.295 3.960 -0.000 0.000 0.686 634 G HA3 0.335 4.295 3.960 -0.000 0.000 0.686 634 G C -0.238 174.700 174.900 0.062 0.000 1.274 634 G CA -0.645 44.505 45.100 0.082 0.000 0.874 634 G HN 0.753 nan 8.290 nan 0.000 0.631 635 G N -1.358 107.409 108.800 -0.054 0.000 2.409 635 G HA2 0.435 4.394 3.960 -0.000 0.000 0.421 635 G HA3 0.435 4.394 3.960 -0.000 0.000 0.421 635 G C -0.594 174.211 174.900 -0.158 0.000 1.259 635 G CA -0.030 45.037 45.100 -0.054 0.000 1.011 635 G HN 1.675 nan 8.290 nan 0.000 0.497 636 F N 1.463 121.597 119.950 0.306 0.000 2.404 636 F HA 0.572 5.099 4.527 -0.000 0.000 0.354 636 F C 1.162 177.116 175.800 0.258 0.000 1.122 636 F CA 0.210 58.373 58.000 0.272 0.000 1.080 636 F CB 2.071 41.250 39.000 0.298 0.000 1.131 636 F HN 0.735 nan 8.300 nan 0.000 0.471 637 G N 5.372 114.358 108.800 0.310 0.000 2.391 637 G HA2 0.548 4.508 3.960 -0.000 0.000 0.305 637 G HA3 0.548 4.508 3.960 -0.000 0.000 0.305 637 G C -0.737 174.248 174.900 0.142 0.000 1.072 637 G CA -0.429 44.786 45.100 0.192 0.000 1.016 637 G HN 0.547 nan 8.290 nan 0.000 0.418 638 L N 1.926 123.223 121.223 0.124 0.000 2.330 638 L HA 0.460 4.800 4.340 -0.000 0.000 0.271 638 L C 1.290 178.075 176.870 -0.142 0.000 1.013 638 L CA -1.140 53.698 54.840 -0.003 0.000 0.816 638 L CB 2.028 44.105 42.059 0.030 0.000 1.287 638 L HN 0.443 nan 8.230 nan 0.000 0.435 639 K N 0.871 121.088 120.400 -0.305 0.000 2.021 639 K HA -0.001 4.319 4.320 -0.000 0.000 0.205 639 K C 0.487 176.808 176.600 -0.465 0.000 1.047 639 K CA 1.379 57.439 56.287 -0.377 0.000 0.943 639 K CB 0.216 32.431 32.500 -0.474 0.000 0.725 639 K HN 0.607 nan 8.250 nan 0.000 0.439 640 H N 0.555 119.415 119.070 -0.350 0.000 2.792 640 H HA 0.385 4.941 4.556 -0.000 0.000 0.298 640 H C -2.556 172.663 175.328 -0.181 0.000 1.042 640 H CA -2.793 52.844 56.048 -0.685 0.000 1.300 640 H CB 0.948 30.245 29.762 -0.775 0.000 1.431 640 H HN 0.153 nan 8.280 nan 0.000 0.496 641 P HA 0.251 nan 4.420 nan 0.000 0.284 641 P C -2.824 174.114 177.300 -0.604 0.000 1.292 641 P CA -2.163 60.788 63.100 -0.249 0.000 0.800 641 P CB 0.580 32.151 31.700 -0.216 0.000 1.188 642 P HA 0.028 nan 4.420 nan 0.000 0.261 642 P C -1.971 174.971 177.300 -0.595 0.000 1.173 642 P CA -0.064 62.028 63.100 -1.681 0.000 0.760 642 P CB -1.080 29.782 31.700 -1.396 0.000 0.783 643 P HA 0.047 nan 4.420 nan 0.000 0.272 643 P C -0.618 176.562 177.300 -0.201 0.000 1.223 643 P CA -0.021 62.879 63.100 -0.332 0.000 0.784 643 P CB 0.745 32.217 31.700 -0.380 0.000 0.923 644 Q N 1.555 121.196 119.800 -0.265 0.000 2.296 644 Q HA 0.323 4.662 4.340 -0.000 0.000 0.262 644 Q C -0.106 175.400 176.000 -0.824 0.000 0.981 644 Q CA -0.095 55.364 55.803 -0.574 0.000 0.905 644 Q CB 0.350 28.554 28.738 -0.889 0.000 1.186 644 Q HN 0.440 nan 8.270 nan 0.000 0.399 645 I N 3.950 124.127 120.570 -0.655 0.000 2.312 645 I HA 0.253 4.423 4.170 -0.000 0.000 0.290 645 I C -0.567 175.118 176.117 -0.721 0.000 1.008 645 I CA -0.399 60.569 61.300 -0.553 0.000 1.226 645 I CB 0.377 38.288 38.000 -0.148 0.000 1.371 645 I HN 0.428 nan 8.210 nan 0.000 0.468 646 F N 6.824 126.388 119.950 -0.643 0.000 2.397 646 F HA 0.614 5.140 4.527 -0.000 0.000 0.331 646 F C 0.189 175.971 175.800 -0.029 0.000 1.090 646 F CA -0.636 57.087 58.000 -0.462 0.000 1.065 646 F CB 1.530 39.919 39.000 -1.017 0.000 1.184 646 F HN 0.311 nan 8.300 nan 0.000 0.499 647 I N 2.895 123.732 120.570 0.445 0.000 2.752 647 I HA 0.478 4.648 4.170 -0.000 0.000 0.295 647 I C -1.721 174.467 176.117 0.118 0.000 1.219 647 I CA -0.636 60.835 61.300 0.285 0.000 1.030 647 I CB 2.149 40.149 38.000 0.001 0.000 1.259 647 I HN 0.799 nan 8.210 nan 0.000 0.423 648 K N 4.964 125.214 120.400 -0.249 0.000 2.562 648 K HA 0.461 4.781 4.320 -0.000 0.000 0.267 648 K C -1.842 174.520 176.600 -0.397 0.000 0.938 648 K CA -0.892 55.079 56.287 -0.527 0.000 0.840 648 K CB 1.365 33.108 32.500 -1.263 0.000 1.390 648 K HN 0.428 nan 8.250 nan 0.000 0.428 649 N N 1.391 119.919 118.700 -0.287 0.000 2.525 649 N HA 0.119 4.859 4.740 -0.000 0.000 0.271 649 N C -0.658 174.751 175.510 -0.168 0.000 1.194 649 N CA -0.110 52.842 53.050 -0.163 0.000 0.964 649 N CB 1.270 39.694 38.487 -0.104 0.000 1.126 649 N HN 0.579 nan 8.380 nan 0.000 0.452 650 T N 2.817 117.305 114.554 -0.109 0.000 2.869 650 T HA 0.257 4.607 4.350 -0.000 0.000 0.295 650 T C -2.159 172.480 174.700 -0.103 0.000 0.987 650 T CA -0.829 61.208 62.100 -0.106 0.000 1.109 650 T CB 0.782 69.614 68.868 -0.059 0.000 0.932 650 T HN 0.261 nan 8.240 nan 0.000 0.518 651 P HA 0.250 nan 4.420 nan 0.000 0.271 651 P C -1.187 175.961 177.300 -0.252 0.000 1.216 651 P CA -0.308 62.450 63.100 -0.571 0.000 0.771 651 P CB 0.487 31.555 31.700 -1.054 0.000 0.864 652 V N 6.043 125.897 119.914 -0.100 0.000 2.349 652 V HA 0.277 4.397 4.120 -0.000 0.000 0.284 652 V C -2.255 174.018 176.094 0.298 0.000 1.014 652 V CA -2.174 60.184 62.300 0.097 0.000 0.826 652 V CB 1.474 33.340 31.823 0.073 0.000 1.009 652 V HN 0.472 nan 8.190 nan 0.000 0.431 653 P HA 0.143 nan 4.420 nan 0.000 0.264 653 P C 0.073 177.419 177.300 0.076 0.000 1.183 653 P CA 0.597 63.806 63.100 0.182 0.000 0.763 653 P CB 0.673 32.432 31.700 0.098 0.000 0.807 654 A N 3.746 126.562 122.820 -0.006 0.000 2.275 654 A HA 0.221 4.540 4.320 -0.000 0.000 0.282 654 A C 0.579 178.149 177.584 -0.022 0.000 1.275 654 A CA -0.410 51.626 52.037 -0.001 0.000 0.842 654 A CB -0.112 18.877 19.000 -0.018 0.000 1.280 654 A HN 0.537 nan 8.150 nan 0.000 0.508 655 N N 1.024 119.715 118.700 -0.015 0.000 2.292 655 N HA 0.086 4.826 4.740 -0.000 0.000 0.258 655 N C -2.186 173.304 175.510 -0.034 0.000 1.261 655 N CA -0.241 52.800 53.050 -0.016 0.000 0.845 655 N CB 0.090 38.570 38.487 -0.011 0.000 1.064 655 N HN 0.452 nan 8.380 nan 0.000 0.471 656 P HA 0.355 nan 4.420 nan 0.000 0.287 656 P C -1.320 175.966 177.300 -0.024 0.000 1.292 656 P CA -0.703 62.377 63.100 -0.033 0.000 0.879 656 P CB 0.976 32.666 31.700 -0.015 0.000 1.214 657 A N 0.609 123.410 122.820 -0.031 0.000 2.445 657 A HA 0.307 4.626 4.320 -0.000 0.000 0.242 657 A C 1.145 178.730 177.584 0.001 0.000 1.075 657 A CA 0.183 52.206 52.037 -0.023 0.000 0.777 657 A CB -0.687 18.288 19.000 -0.042 0.000 1.013 657 A HN 0.564 nan 8.150 nan 0.000 0.493 658 T N 0.508 115.065 114.554 0.006 0.000 3.129 658 T HA 0.154 4.504 4.350 -0.000 0.000 0.251 658 T C 0.716 175.439 174.700 0.037 0.000 1.117 658 T CA 1.122 63.235 62.100 0.021 0.000 1.034 658 T CB -0.532 68.345 68.868 0.015 0.000 0.968 658 T HN 1.016 nan 8.240 nan 0.000 0.526 659 T N -0.309 114.268 114.554 0.038 0.000 2.886 659 T HA 0.600 4.950 4.350 -0.000 0.000 0.292 659 T C -0.460 174.295 174.700 0.092 0.000 1.012 659 T CA -1.058 61.082 62.100 0.068 0.000 0.982 659 T CB 1.179 70.074 68.868 0.045 0.000 1.018 659 T HN 0.031 nan 8.240 nan 0.000 0.451 660 F N 3.042 122.990 119.950 -0.003 0.000 2.646 660 F HA 0.422 4.948 4.527 -0.000 0.000 0.363 660 F C 0.531 176.329 175.800 -0.004 0.000 1.143 660 F CA 0.846 58.844 58.000 -0.002 0.000 1.356 660 F CB 0.449 39.449 39.000 0.000 0.000 1.055 660 F HN 0.790 nan 8.300 nan 0.000 0.606 661 S N 2.697 117.613 115.700 -1.306 0.000 2.649 661 S HA 0.295 4.764 4.470 -0.000 0.000 0.274 661 S C 0.118 174.036 174.600 -1.137 0.000 1.176 661 S CA -0.169 57.443 58.200 -0.979 0.000 0.988 661 S CB 0.883 63.832 63.200 -0.419 0.000 1.071 661 S HN 0.910 nan 8.310 nan 0.000 0.478 662 S N 2.733 117.961 115.700 -0.788 0.000 2.660 662 S HA 0.113 4.583 4.470 -0.000 0.000 0.223 662 S C 0.586 175.087 174.600 -0.165 0.000 0.963 662 S CA 0.008 58.015 58.200 -0.321 0.000 0.932 662 S CB -0.507 62.664 63.200 -0.047 0.000 0.775 662 S HN 0.655 nan 8.310 nan 0.000 0.531 663 T N 4.486 118.919 114.554 -0.202 0.000 2.856 663 T HA 0.441 4.791 4.350 -0.000 0.000 0.292 663 T C -2.425 172.226 174.700 -0.081 0.000 0.980 663 T CA -1.000 61.035 62.100 -0.110 0.000 1.091 663 T CB 0.892 69.695 68.868 -0.109 0.000 0.936 663 T HN 0.188 nan 8.240 nan 0.000 0.503 664 P HA 0.131 nan 4.420 nan 0.000 0.266 664 P C -0.484 176.803 177.300 -0.022 0.000 1.195 664 P CA -0.400 62.705 63.100 0.009 0.000 0.768 664 P CB 0.310 32.039 31.700 0.048 0.000 0.838 665 V N 3.410 123.313 119.914 -0.019 0.000 2.763 665 V HA -0.039 4.081 4.120 -0.000 0.000 0.306 665 V C 1.273 177.198 176.094 -0.282 0.000 1.059 665 V CA 0.673 62.879 62.300 -0.158 0.000 1.138 665 V CB 0.275 32.000 31.823 -0.164 0.000 0.940 665 V HN 0.624 nan 8.190 nan 0.000 0.489 666 N N 1.012 119.451 118.700 -0.436 0.000 2.672 666 N HA 0.032 4.771 4.740 -0.000 0.000 0.229 666 N C 0.838 175.964 175.510 -0.639 0.000 1.043 666 N CA 0.221 53.036 53.050 -0.390 0.000 0.932 666 N CB 0.363 38.746 38.487 -0.174 0.000 1.500 666 N HN 0.574 nan 8.380 nan 0.000 0.445 667 S N 0.855 116.227 115.700 -0.546 0.000 2.465 667 S HA 0.342 4.812 4.470 -0.000 0.000 0.280 667 S C -0.851 173.399 174.600 -0.584 0.000 1.232 667 S CA -0.056 57.907 58.200 -0.395 0.000 1.066 667 S CB -0.608 62.465 63.200 -0.212 0.000 0.929 667 S HN 0.072 nan 8.310 nan 0.000 0.494 668 F N 4.324 124.286 119.950 0.020 0.000 2.551 668 F HA 0.488 5.015 4.527 -0.000 0.000 0.316 668 F C 0.390 176.221 175.800 0.051 0.000 1.089 668 F CA -1.401 56.607 58.000 0.013 0.000 0.915 668 F CB 1.045 40.043 39.000 -0.002 0.000 1.186 668 F HN 0.275 nan 8.300 nan 0.000 0.456 669 I N 1.517 122.237 120.570 0.250 0.000 2.892 669 I HA 0.003 4.173 4.170 -0.000 0.000 0.287 669 I C 0.546 176.776 176.117 0.188 0.000 1.205 669 I CA 0.193 61.589 61.300 0.159 0.000 1.409 669 I CB 0.352 38.419 38.000 0.111 0.000 1.367 669 I HN 0.548 nan 8.210 nan 0.000 0.597 670 T N 7.057 121.694 114.554 0.139 0.000 2.780 670 T HA 0.451 4.801 4.350 -0.000 0.000 0.294 670 T C 0.080 174.849 174.700 0.115 0.000 0.949 670 T CA -0.544 61.637 62.100 0.135 0.000 1.074 670 T CB 1.048 69.982 68.868 0.111 0.000 0.910 670 T HN 0.462 nan 8.240 nan 0.000 0.501 671 Q N 1.380 121.246 119.800 0.111 0.000 2.501 671 Q HA 0.653 4.992 4.340 -0.000 0.000 0.288 671 Q C -1.638 174.439 176.000 0.129 0.000 1.051 671 Q CA -1.198 54.651 55.803 0.077 0.000 0.788 671 Q CB 2.931 31.683 28.738 0.023 0.000 1.469 671 Q HN 0.844 nan 8.270 nan 0.000 0.416 672 Y N -2.169 118.111 120.300 -0.033 0.000 2.592 672 Y HA 0.741 5.291 4.550 -0.000 0.000 0.334 672 Y C -1.358 174.523 175.900 -0.032 0.000 1.136 672 Y CA -0.900 57.169 58.100 -0.051 0.000 1.042 672 Y CB 1.092 39.519 38.460 -0.054 0.000 1.325 672 Y HN 0.621 nan 8.280 nan 0.000 0.457 673 S N 1.172 116.936 115.700 0.107 0.000 2.671 673 S HA 0.908 5.377 4.470 -0.000 0.000 0.299 673 S C -0.956 173.692 174.600 0.081 0.000 1.116 673 S CA -0.433 57.778 58.200 0.018 0.000 0.912 673 S CB 2.093 65.360 63.200 0.112 0.000 1.130 673 S HN 1.199 nan 8.310 nan 0.000 0.501 674 T N -0.937 113.480 114.554 -0.229 0.000 2.889 674 T HA 0.778 5.128 4.350 -0.000 0.000 0.315 674 T C -0.439 173.556 174.700 -1.176 0.000 1.291 674 T CA 0.231 61.908 62.100 -0.706 0.000 1.028 674 T CB 1.121 69.776 68.868 -0.354 0.000 1.235 674 T HN 1.751 nan 8.240 nan 0.000 0.491 675 G N 1.966 109.571 108.800 -1.992 0.000 2.430 675 G HA2 0.541 4.501 3.960 -0.000 0.000 0.300 675 G HA3 0.541 4.501 3.960 -0.000 0.000 0.300 675 G C -1.988 172.108 174.900 -1.340 0.000 1.330 675 G CA -0.750 43.571 45.100 -1.300 0.000 0.813 675 G HN 0.753 nan 8.290 nan 0.000 0.487 676 Q N -0.958 118.427 119.800 -0.691 0.000 2.240 676 Q HA 0.812 5.152 4.340 -0.000 0.000 0.260 676 Q C -0.855 175.025 176.000 -0.199 0.000 1.018 676 Q CA -1.196 54.313 55.803 -0.491 0.000 0.898 676 Q CB 2.328 30.696 28.738 -0.616 0.000 1.301 676 Q HN 1.164 nan 8.270 nan 0.000 0.469 677 V N 0.007 119.947 119.914 0.043 0.000 3.012 677 V HA 0.677 4.797 4.120 -0.000 0.000 0.307 677 V C -1.711 174.479 176.094 0.160 0.000 1.166 677 V CA -0.342 62.050 62.300 0.154 0.000 0.974 677 V CB 2.487 34.397 31.823 0.145 0.000 1.040 677 V HN 1.002 nan 8.190 nan 0.000 0.428 678 S N 4.480 120.295 115.700 0.192 0.000 2.547 678 S HA 0.883 5.353 4.470 -0.000 0.000 0.281 678 S C -1.126 173.457 174.600 -0.029 0.000 1.118 678 S CA -0.767 57.476 58.200 0.071 0.000 0.947 678 S CB 1.623 64.874 63.200 0.084 0.000 1.053 678 S HN 1.126 nan 8.310 nan 0.000 0.482 679 V N 1.385 121.240 119.914 -0.097 0.000 2.604 679 V HA 0.648 4.768 4.120 -0.000 0.000 0.305 679 V C -0.449 175.545 176.094 -0.167 0.000 1.043 679 V CA -0.618 61.535 62.300 -0.246 0.000 0.888 679 V CB 1.494 33.067 31.823 -0.418 0.000 0.995 679 V HN 1.001 nan 8.190 nan 0.000 0.429 680 Q N 3.471 123.142 119.800 -0.215 0.000 2.310 680 Q HA 0.692 5.032 4.340 -0.000 0.000 0.270 680 Q C -1.810 174.023 176.000 -0.278 0.000 1.025 680 Q CA -0.504 55.178 55.803 -0.202 0.000 0.772 680 Q CB 2.144 30.790 28.738 -0.155 0.000 1.253 680 Q HN 0.832 nan 8.270 nan 0.000 0.450 681 I N 2.780 123.136 120.570 -0.357 0.000 2.465 681 I HA 0.327 4.497 4.170 -0.000 0.000 0.291 681 I C -0.706 175.021 176.117 -0.651 0.000 1.014 681 I CA -0.802 60.135 61.300 -0.605 0.000 1.093 681 I CB 2.059 39.445 38.000 -1.024 0.000 1.267 681 I HN 0.487 nan 8.210 nan 0.000 0.431 682 D N 5.955 126.007 120.400 -0.580 0.000 2.317 682 D HA 0.230 4.869 4.640 -0.000 0.000 0.234 682 D C -1.307 174.714 176.300 -0.466 0.000 1.112 682 D CA -0.141 53.644 54.000 -0.359 0.000 0.840 682 D CB 1.179 41.869 40.800 -0.182 0.000 1.078 682 D HN 0.234 nan 8.370 nan 0.000 0.486 683 W N 1.508 122.730 121.300 -0.129 0.000 2.478 683 W HA 0.293 4.952 4.660 -0.000 0.000 0.318 683 W C 0.704 177.161 176.519 -0.104 0.000 1.062 683 W CA -0.929 56.344 57.345 -0.119 0.000 1.210 683 W CB 0.944 30.410 29.460 0.010 0.000 1.325 683 W HN 0.242 nan 8.180 nan 0.000 0.496 684 E N 4.532 124.749 120.200 0.029 0.000 2.200 684 E HA 0.495 4.844 4.350 -0.000 0.000 0.283 684 E C -0.518 176.158 176.600 0.127 0.000 1.015 684 E CA -0.484 55.844 56.400 -0.120 0.000 0.819 684 E CB 0.630 30.213 29.700 -0.194 0.000 1.081 684 E HN 0.508 nan 8.360 nan 0.000 0.397 685 I N 0.874 121.529 120.570 0.142 0.000 2.785 685 I HA 0.441 4.610 4.170 -0.000 0.000 0.302 685 I C -1.184 175.039 176.117 0.177 0.000 1.069 685 I CA -1.140 60.316 61.300 0.260 0.000 1.045 685 I CB 2.012 40.133 38.000 0.202 0.000 1.236 685 I HN 0.460 nan 8.210 nan 0.000 0.429 686 Q N 3.395 123.264 119.800 0.115 0.000 2.325 686 Q HA 0.519 4.859 4.340 -0.000 0.000 0.270 686 Q C -1.297 174.656 176.000 -0.079 0.000 1.020 686 Q CA -1.133 54.633 55.803 -0.061 0.000 0.785 686 Q CB 2.242 30.811 28.738 -0.282 0.000 1.259 686 Q HN 0.417 nan 8.270 nan 0.000 0.452 687 K N 2.241 122.565 120.400 -0.126 0.000 2.230 687 K HA -0.014 4.306 4.320 -0.000 0.000 0.253 687 K C 0.875 177.207 176.600 -0.446 0.000 1.008 687 K CA 0.226 56.376 56.287 -0.227 0.000 0.910 687 K CB 0.809 33.196 32.500 -0.188 0.000 0.994 687 K HN 0.932 nan 8.250 nan 0.000 0.495 688 E N 1.583 121.321 120.200 -0.770 0.000 2.002 688 E HA -0.107 4.243 4.350 -0.000 0.000 0.196 688 E C -0.591 175.190 176.600 -1.366 0.000 0.974 688 E CA 0.091 55.463 56.400 -1.714 0.000 0.853 688 E CB -0.108 28.476 29.700 -1.860 0.000 0.808 688 E HN 0.480 nan 8.360 nan 0.000 0.492 689 R N 0.640 120.624 120.500 -0.860 0.000 3.078 689 R HA -0.082 4.258 4.340 -0.000 0.000 0.264 689 R C -0.984 175.141 176.300 -0.292 0.000 1.049 689 R CA 0.323 56.157 56.100 -0.444 0.000 0.689 689 R CB -2.422 27.700 30.300 -0.296 0.000 1.286 689 R HN 0.548 nan 8.270 nan 0.000 0.390 690 S N -0.527 115.051 115.700 -0.202 0.000 2.687 690 S HA 0.536 5.005 4.470 -0.000 0.000 0.283 690 S C 0.754 175.383 174.600 0.048 0.000 1.170 690 S CA -1.059 57.197 58.200 0.093 0.000 1.008 690 S CB 1.832 65.210 63.200 0.297 0.000 1.026 690 S HN 0.169 nan 8.310 nan 0.000 0.541 691 K N 0.605 121.057 120.400 0.086 0.000 2.437 691 K HA 0.184 4.504 4.320 -0.000 0.000 0.205 691 K C 0.537 177.212 176.600 0.125 0.000 1.026 691 K CA -0.213 56.126 56.287 0.087 0.000 1.153 691 K CB -0.180 32.368 32.500 0.081 0.000 0.863 691 K HN 0.622 nan 8.250 nan 0.000 0.502 692 R N 0.722 121.293 120.500 0.118 0.000 2.585 692 R HA -0.101 4.239 4.340 -0.000 0.000 0.275 692 R C 0.562 176.956 176.300 0.157 0.000 1.018 692 R CA 0.196 56.379 56.100 0.139 0.000 1.072 692 R CB 0.256 30.628 30.300 0.121 0.000 0.953 692 R HN 0.303 nan 8.270 nan 0.000 0.419 693 W N 5.591 126.901 121.300 0.015 0.000 2.601 693 W HA -0.058 4.602 4.660 -0.001 0.000 0.292 693 W C 0.076 176.601 176.519 0.010 0.000 1.153 693 W CA 0.530 57.880 57.345 0.008 0.000 1.448 693 W CB -0.072 29.390 29.460 0.003 0.000 1.113 693 W HN 0.640 nan 8.180 nan 0.000 0.548 694 N N 2.322 121.134 118.700 0.186 0.000 2.453 694 N HA 0.080 4.819 4.740 -0.000 0.000 0.253 694 N C -2.683 172.823 175.510 -0.007 0.000 1.252 694 N CA -1.008 52.092 53.050 0.084 0.000 0.917 694 N CB -0.616 37.956 38.487 0.141 0.000 1.117 694 N HN -0.096 nan 8.380 nan 0.000 0.442 695 P HA 0.054 nan 4.420 nan 0.000 0.268 695 P C -0.006 177.301 177.300 0.012 0.000 1.208 695 P CA 0.265 63.345 63.100 -0.034 0.000 0.777 695 P CB 0.596 32.276 31.700 -0.033 0.000 0.875 696 E N 0.206 120.417 120.200 0.019 0.000 2.254 696 E HA 0.294 4.644 4.350 -0.000 0.000 0.261 696 E C -0.318 176.323 176.600 0.068 0.000 1.051 696 E CA -0.843 55.592 56.400 0.058 0.000 0.902 696 E CB 1.013 30.760 29.700 0.079 0.000 1.168 696 E HN 0.126 nan 8.360 nan 0.000 0.423 697 V N 1.001 120.974 119.914 0.098 0.000 2.881 697 V HA 0.170 4.290 4.120 -0.000 0.000 0.303 697 V C 0.252 176.469 176.094 0.205 0.000 1.070 697 V CA -0.259 62.115 62.300 0.122 0.000 1.074 697 V CB 0.651 32.531 31.823 0.095 0.000 1.012 697 V HN 0.534 nan 8.190 nan 0.000 0.482 698 Q N 1.124 121.077 119.800 0.255 0.000 2.435 698 Q HA 0.371 4.711 4.340 -0.000 0.000 0.282 698 Q C -1.415 174.789 176.000 0.340 0.000 1.020 698 Q CA -0.745 55.220 55.803 0.270 0.000 0.820 698 Q CB 2.984 31.768 28.738 0.076 0.000 1.436 698 Q HN 0.694 nan 8.270 nan 0.000 0.395 699 F N 1.771 121.653 119.950 -0.114 0.000 2.502 699 F HA 0.268 4.795 4.527 -0.000 0.000 0.371 699 F C -0.456 175.282 175.800 -0.103 0.000 1.083 699 F CA 0.705 58.594 58.000 -0.186 0.000 1.174 699 F CB 0.514 39.122 39.000 -0.654 0.000 1.096 699 F HN 0.272 nan 8.300 nan 0.000 0.545 700 T N 4.586 118.860 114.554 -0.466 0.000 2.930 700 T HA 0.240 4.590 4.350 -0.000 0.000 0.290 700 T C 0.713 174.965 174.700 -0.746 0.000 1.052 700 T CA -0.198 61.594 62.100 -0.512 0.000 1.017 700 T CB 1.940 70.657 68.868 -0.252 0.000 1.137 700 T HN 0.696 nan 8.240 nan 0.000 0.511 701 S N 1.932 117.290 115.700 -0.570 0.000 2.406 701 S HA -0.125 4.345 4.470 -0.000 0.000 0.211 701 S C 1.332 175.477 174.600 -0.758 0.000 1.045 701 S CA 2.327 60.180 58.200 -0.577 0.000 1.058 701 S CB -0.676 62.374 63.200 -0.249 0.000 1.044 701 S HN 1.071 nan 8.310 nan 0.000 0.413 702 N N -0.497 117.961 118.700 -0.405 0.000 2.713 702 N HA -0.255 4.484 4.740 -0.000 0.000 0.251 702 N C -0.051 175.308 175.510 -0.253 0.000 1.117 702 N CA 1.895 54.771 53.050 -0.291 0.000 0.770 702 N CB -2.618 35.725 38.487 -0.241 0.000 1.137 702 N HN 0.727 nan 8.380 nan 0.000 0.566 703 Y N 0.290 120.607 120.300 0.028 0.000 2.519 703 Y HA 0.305 4.855 4.550 -0.000 0.000 0.311 703 Y C 2.189 178.102 175.900 0.022 0.000 1.207 703 Y CA 0.208 58.331 58.100 0.038 0.000 1.289 703 Y CB -0.258 38.236 38.460 0.056 0.000 1.059 703 Y HN 0.601 nan 8.280 nan 0.000 0.507 704 G N 0.758 109.614 108.800 0.094 0.000 2.633 704 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.263 704 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.263 704 G C -0.364 174.579 174.900 0.072 0.000 1.310 704 G CA -0.528 44.611 45.100 0.064 0.000 0.914 704 G HN 0.388 nan 8.290 nan 0.000 0.569 705 Q N -0.371 119.458 119.800 0.050 0.000 2.454 705 Q HA 0.550 4.889 4.340 -0.000 0.000 0.247 705 Q C 0.167 176.194 176.000 0.046 0.000 1.028 705 Q CA 0.440 56.269 55.803 0.043 0.000 0.910 705 Q CB 1.001 29.756 28.738 0.028 0.000 1.276 705 Q HN 0.672 nan 8.270 nan 0.000 0.489 706 Q N -0.311 119.512 119.800 0.038 0.000 2.522 706 Q HA 0.219 4.559 4.340 -0.000 0.000 0.285 706 Q C -0.547 175.463 176.000 0.016 0.000 0.982 706 Q CA -0.402 55.417 55.803 0.026 0.000 0.805 706 Q CB 1.318 30.075 28.738 0.032 0.000 1.457 706 Q HN 0.573 nan 8.270 nan 0.000 0.394 707 N N -0.189 118.513 118.700 0.003 0.000 2.251 707 N HA -0.001 4.739 4.740 -0.000 0.000 0.181 707 N C -0.149 175.361 175.510 0.000 0.000 1.019 707 N CA 1.007 54.056 53.050 -0.000 0.000 0.862 707 N CB 0.321 38.803 38.487 -0.009 0.000 0.992 707 N HN 0.504 nan 8.380 nan 0.000 0.429 708 S N 1.101 116.796 115.700 -0.009 0.000 2.756 708 S HA 0.296 4.766 4.470 -0.000 0.000 0.303 708 S C -0.235 174.362 174.600 -0.006 0.000 1.135 708 S CA -0.790 57.406 58.200 -0.008 0.000 1.066 708 S CB 0.885 64.070 63.200 -0.026 0.000 1.008 708 S HN 0.182 nan 8.310 nan 0.000 0.482 709 L N 4.418 125.657 121.223 0.027 0.000 2.640 709 L HA 0.043 4.383 4.340 -0.000 0.000 0.300 709 L C -0.195 176.693 176.870 0.031 0.000 1.259 709 L CA 0.347 55.221 54.840 0.057 0.000 0.879 709 L CB 0.184 42.299 42.059 0.095 0.000 1.125 709 L HN 0.702 nan 8.230 nan 0.000 0.507 710 L N 4.362 125.607 121.223 0.036 0.000 2.439 710 L HA 0.091 4.431 4.340 -0.000 0.000 0.261 710 L C -0.187 176.751 176.870 0.113 0.000 1.153 710 L CA -0.285 54.496 54.840 -0.099 0.000 0.808 710 L CB 0.546 42.429 42.059 -0.293 0.000 1.126 710 L HN 0.844 nan 8.230 nan 0.000 0.460 711 W N 1.455 122.710 121.300 -0.075 0.000 4.706 711 W HA -0.139 4.521 4.660 -0.000 0.000 0.366 711 W C 0.066 176.740 176.519 0.258 0.000 1.382 711 W CA 0.511 57.880 57.345 0.041 0.000 0.832 711 W CB -1.403 28.138 29.460 0.134 0.000 2.504 711 W HN 0.637 nan 8.180 nan 0.000 1.403 712 A N -0.571 122.429 122.820 0.301 0.000 2.604 712 A HA 0.790 5.110 4.320 -0.000 0.000 0.295 712 A C -2.358 175.328 177.584 0.170 0.000 1.067 712 A CA -1.422 50.823 52.037 0.346 0.000 0.683 712 A CB 1.284 20.428 19.000 0.241 0.000 1.281 712 A HN -0.129 nan 8.150 nan 0.000 0.407 713 P HA 0.212 nan 4.420 nan 0.000 0.268 713 P C -0.818 176.470 177.300 -0.019 0.000 1.208 713 P CA 0.356 63.439 63.100 -0.028 0.000 0.777 713 P CB 0.457 32.095 31.700 -0.104 0.000 0.875 714 D N 0.855 121.224 120.400 -0.053 0.000 2.453 714 D HA 0.265 4.905 4.640 -0.000 0.000 0.282 714 D C 1.412 177.699 176.300 -0.022 0.000 1.222 714 D CA -0.487 53.488 54.000 -0.042 0.000 1.079 714 D CB -0.589 40.173 40.800 -0.063 0.000 1.128 714 D HN 0.277 nan 8.370 nan 0.000 0.568 715 A N -0.927 121.881 122.820 -0.020 0.000 2.014 715 A HA 0.204 4.524 4.320 -0.000 0.000 0.218 715 A C 2.035 179.612 177.584 -0.011 0.000 1.163 715 A CA 1.552 53.584 52.037 -0.010 0.000 0.652 715 A CB -1.136 17.858 19.000 -0.010 0.000 0.808 715 A HN 0.595 nan 8.150 nan 0.000 0.449 716 A N -1.634 121.173 122.820 -0.021 0.000 2.218 716 A HA 0.425 4.745 4.320 -0.000 0.000 0.209 716 A C 1.622 179.195 177.584 -0.019 0.000 1.168 716 A CA 1.074 53.099 52.037 -0.019 0.000 0.804 716 A CB -0.783 18.202 19.000 -0.026 0.000 0.834 716 A HN 1.832 nan 8.150 nan 0.000 0.482 717 G N -0.495 108.290 108.800 -0.025 0.000 2.171 717 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.238 717 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.238 717 G C -0.036 174.829 174.900 -0.060 0.000 1.039 717 G CA 0.460 45.543 45.100 -0.029 0.000 0.759 717 G HN 0.711 nan 8.290 nan 0.000 0.501 718 K N -0.160 120.195 120.400 -0.075 0.000 2.274 718 K HA 0.590 4.910 4.320 -0.000 0.000 0.262 718 K C -0.743 175.784 176.600 -0.123 0.000 0.961 718 K CA -1.154 55.081 56.287 -0.088 0.000 0.833 718 K CB 0.969 33.426 32.500 -0.071 0.000 1.102 718 K HN 0.141 nan 8.250 nan 0.000 0.436 719 Y N 3.153 123.260 120.300 -0.322 0.000 2.313 719 Y HA 0.273 4.823 4.550 -0.000 0.000 0.332 719 Y C -0.635 175.146 175.900 -0.199 0.000 1.071 719 Y CA 0.118 58.000 58.100 -0.363 0.000 1.169 719 Y CB 1.125 39.185 38.460 -0.667 0.000 1.192 719 Y HN 0.640 nan 8.280 nan 0.000 0.487 720 T N 2.570 116.703 114.554 -0.701 0.000 2.952 720 T HA 0.429 4.779 4.350 -0.000 0.000 0.305 720 T C -1.213 173.018 174.700 -0.780 0.000 1.064 720 T CA -1.141 60.618 62.100 -0.567 0.000 1.008 720 T CB 1.367 70.016 68.868 -0.366 0.000 1.078 720 T HN 0.656 nan 8.240 nan 0.000 0.459 721 E N 3.522 123.365 120.200 -0.595 0.000 2.105 721 E HA 0.223 4.573 4.350 -0.000 0.000 0.285 721 E C -1.782 174.361 176.600 -0.763 0.000 1.055 721 E CA -2.083 53.897 56.400 -0.700 0.000 0.843 721 E CB 1.196 30.765 29.700 -0.219 0.000 1.067 721 E HN 0.430 nan 8.360 nan 0.000 0.398 722 P HA -0.187 nan 4.420 nan 0.000 0.213 722 P C 0.013 177.026 177.300 -0.478 0.000 1.170 722 P CA 1.522 64.097 63.100 -0.875 0.000 0.902 722 P CB 0.353 31.274 31.700 -1.298 0.000 0.789 723 R N -2.211 118.089 120.500 -0.334 0.000 3.045 723 R HA 0.762 5.101 4.340 -0.000 0.000 0.245 723 R C -0.895 175.499 176.300 0.156 0.000 1.333 723 R CA -1.036 55.083 56.100 0.032 0.000 1.036 723 R CB 0.927 31.370 30.300 0.239 0.000 1.340 723 R HN -0.102 nan 8.270 nan 0.000 0.488 724 A N 1.086 124.012 122.820 0.177 0.000 2.324 724 A HA 0.689 5.008 4.320 -0.000 0.000 0.330 724 A C -0.365 177.368 177.584 0.250 0.000 1.165 724 A CA -0.697 51.417 52.037 0.128 0.000 0.813 724 A CB 0.572 19.584 19.000 0.020 0.000 1.197 724 A HN 0.537 nan 8.150 nan 0.000 0.484 725 I N 2.196 122.881 120.570 0.192 0.000 2.433 725 I HA 0.470 4.640 4.170 -0.000 0.000 0.292 725 I C 1.056 177.343 176.117 0.282 0.000 1.001 725 I CA -0.532 60.829 61.300 0.100 0.000 1.119 725 I CB 1.981 39.781 38.000 -0.333 0.000 1.289 725 I HN 0.773 nan 8.210 nan 0.000 0.438 726 G N 2.413 111.431 108.800 0.363 0.000 2.666 726 G HA2 0.308 4.268 3.960 -0.000 0.000 0.207 726 G HA3 0.308 4.268 3.960 -0.000 0.000 0.207 726 G C 0.415 175.474 174.900 0.264 0.000 1.481 726 G CA 0.347 45.554 45.100 0.178 0.000 1.071 726 G HN 0.529 nan 8.290 nan 0.000 0.572 727 T N -1.724 112.937 114.554 0.179 0.000 3.151 727 T HA 0.150 4.500 4.350 -0.000 0.000 0.257 727 T C 0.907 175.725 174.700 0.195 0.000 0.872 727 T CA -0.319 61.842 62.100 0.100 0.000 0.873 727 T CB 0.155 69.024 68.868 0.002 0.000 1.272 727 T HN 0.255 nan 8.240 nan 0.000 0.543 728 R N 1.421 122.003 120.500 0.138 0.000 3.710 728 R HA 0.269 4.609 4.340 -0.000 0.000 0.201 728 R C -0.128 176.202 176.300 0.050 0.000 1.641 728 R CA -0.041 56.087 56.100 0.046 0.000 1.390 728 R CB -0.051 30.179 30.300 -0.117 0.000 1.341 728 R HN 0.388 nan 8.270 nan 0.000 0.728 729 Y N -0.077 120.241 120.300 0.029 0.000 2.500 729 Y HA 0.137 4.686 4.550 -0.000 0.000 0.284 729 Y C 1.107 177.058 175.900 0.086 0.000 1.118 729 Y CA -0.041 58.096 58.100 0.061 0.000 1.241 729 Y CB 0.352 38.854 38.460 0.069 0.000 1.171 729 Y HN 0.201 nan 8.280 nan 0.000 0.540 730 L N -0.117 121.280 121.223 0.289 0.000 2.475 730 L HA 0.255 4.595 4.340 -0.000 0.000 0.253 730 L C 0.292 177.315 176.870 0.254 0.000 1.198 730 L CA 0.216 55.230 54.840 0.291 0.000 0.814 730 L CB 0.677 42.979 42.059 0.406 0.000 1.134 730 L HN -0.046 nan 8.230 nan 0.000 0.478 731 T N -0.369 114.340 114.554 0.259 0.000 2.893 731 T HA 0.427 4.777 4.350 -0.000 0.000 0.293 731 T C -1.328 173.367 174.700 -0.010 0.000 1.027 731 T CA -0.399 61.790 62.100 0.148 0.000 0.988 731 T CB 0.943 69.890 68.868 0.133 0.000 1.043 731 T HN 0.443 nan 8.240 nan 0.000 0.461 732 H N 1.731 120.642 119.070 -0.265 0.000 2.851 732 H HA 0.416 4.971 4.556 -0.000 0.000 0.372 732 H C -0.331 174.866 175.328 -0.217 0.000 1.158 732 H CA -0.576 55.094 56.048 -0.630 0.000 1.159 732 H CB 1.452 30.260 29.762 -1.590 0.000 1.757 732 H HN 0.951 nan 8.280 nan 0.000 0.546 733 H N 2.009 121.217 119.070 0.230 0.000 2.294 733 H HA 0.458 5.014 4.556 -0.000 0.000 0.318 733 H C 0.109 175.567 175.328 0.217 0.000 1.644 733 H CA -0.698 55.470 56.048 0.200 0.000 1.466 733 H CB 0.747 30.558 29.762 0.081 0.000 1.735 733 H HN 0.304 nan 8.280 nan 0.000 0.676 734 L N 0.000 121.346 121.223 0.205 0.000 2.949 734 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 734 L CA 0.000 54.823 54.840 -0.028 0.000 0.813 734 L CB 0.000 41.964 42.059 -0.159 0.000 0.961 734 L HN 0.000 nan 8.230 nan 0.000 0.502