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 3kie_1_N DATA FIRST_RESID 217 DATA SEQUENCE GADGVGNSSG NWHCDSQWLG DRVITTSTRT WALPTYNNHL YKQISSQSGA DATA SEQUENCE SNDNHYFGYS TPWGYFDFNR FHCHFSPRDW QRLINNNWGF RPKKLSFKLF DATA SEQUENCE NIQVKEVTQN DGTTTIANNL TSTVQVFTDS EYQLPYVLGS AHQGCLPPFP DATA SEQUENCE ADVFMVPQYG YLTLNNGSQA VGRSSFYCLE YFPSQMLRTG NNFQFSYTFE DATA SEQUENCE DVPFHSSYAH SQSLDRLMNP LIDQYLYYLN RTQGTTSGTT NQSRLLFSQA DATA SEQUENCE GPQSMSLQAR NWLPGPCYRQ QRLSKTANDN NNSNFPWTAA SKYHLNGRDS DATA SEQUENCE LVNPGPAMAS HKDDEEKFFP MHGNLIFGKE GTTASNAELD NVMITDEEEI DATA SEQUENCE RTTNPVATEQ YGTVANNLQS SNTAPTTRTV NDQGALPGMV WQDRDVYLQG DATA SEQUENCE PIWAKIPHTD GHFHPSPLMG GFGLKHPPPQ IMIKNTPVPA NPPTTFSPAK DATA SEQUENCE FASFITQYST GQVSVEIEWE LQKENSKRWN PEIQYTSNYN KSVNVDFTVD DATA SEQUENCE TNGVYSEPRP IGTRYLTRNL 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 217 G HA2 0.000 nan 3.960 nan 0.000 0.244 217 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 217 G C 0.000 174.924 174.900 0.040 0.000 0.946 217 G CA 0.000 45.114 45.100 0.023 0.000 0.502 218 A N 1.705 124.545 122.820 0.033 0.000 2.476 218 A HA 0.807 5.127 4.320 -0.001 0.000 0.280 218 A C -1.073 176.530 177.584 0.032 0.000 1.081 218 A CA -0.539 51.520 52.037 0.038 0.000 0.753 218 A CB 1.563 20.583 19.000 0.032 0.000 1.248 218 A HN 0.515 nan 8.150 nan 0.000 0.424 219 D N 0.549 120.972 120.400 0.038 0.000 2.989 219 D HA 0.694 5.334 4.640 -0.001 0.000 0.284 219 D C 0.674 176.994 176.300 0.034 0.000 1.212 219 D CA 0.281 54.300 54.000 0.033 0.000 1.055 219 D CB 1.317 42.136 40.800 0.033 0.000 1.351 219 D HN 0.676 nan 8.370 nan 0.000 0.611 220 G N -0.707 108.112 108.800 0.031 0.000 2.828 220 G HA2 0.456 4.416 3.960 -0.001 0.000 0.244 220 G HA3 0.456 4.416 3.960 -0.001 0.000 0.244 220 G C 0.811 175.729 174.900 0.030 0.000 1.365 220 G CA -0.216 44.900 45.100 0.028 0.000 1.041 220 G HN 0.203 nan 8.290 nan 0.000 0.560 221 V N 0.472 120.400 119.914 0.023 0.000 2.273 221 V HA 0.110 4.229 4.120 -0.001 0.000 0.242 221 V C 2.375 178.481 176.094 0.020 0.000 1.035 221 V CA 1.856 64.168 62.300 0.021 0.000 1.013 221 V CB -0.662 31.169 31.823 0.014 0.000 0.652 221 V HN 0.731 nan 8.190 nan 0.000 0.452 222 G N 1.186 109.996 108.800 0.017 0.000 3.709 222 G HA2 0.234 4.194 3.960 -0.001 0.000 0.272 222 G HA3 0.234 4.194 3.960 -0.001 0.000 0.272 222 G C -0.122 174.790 174.900 0.020 0.000 1.259 222 G CA 0.010 45.120 45.100 0.015 0.000 1.512 222 G HN 0.426 nan 8.290 nan 0.000 0.625 223 N N 0.149 118.865 118.700 0.027 0.000 2.571 223 N HA 0.215 4.955 4.740 -0.001 0.000 0.286 223 N C -0.038 175.500 175.510 0.047 0.000 1.138 223 N CA -0.525 52.544 53.050 0.031 0.000 0.859 223 N CB 1.336 39.840 38.487 0.027 0.000 1.414 223 N HN 0.067 nan 8.380 nan 0.000 0.529 224 S N 1.655 117.387 115.700 0.053 0.000 2.544 224 S HA 0.034 4.504 4.470 -0.001 0.000 0.290 224 S C 0.884 175.536 174.600 0.088 0.000 1.276 224 S CA -0.106 58.144 58.200 0.084 0.000 1.075 224 S CB 0.378 63.632 63.200 0.089 0.000 0.849 224 S HN 0.562 nan 8.310 nan 0.000 0.494 225 S N 1.740 117.521 115.700 0.134 0.000 2.743 225 S HA 0.541 5.011 4.470 -0.001 0.000 0.230 225 S C 0.717 175.365 174.600 0.080 0.000 0.950 225 S CA -0.276 57.998 58.200 0.123 0.000 0.976 225 S CB -0.724 62.575 63.200 0.165 0.000 0.779 225 S HN 1.526 nan 8.310 nan 0.000 0.487 226 G N 0.294 109.100 108.800 0.010 0.000 2.340 226 G HA2 0.342 4.302 3.960 -0.001 0.000 0.298 226 G HA3 0.342 4.302 3.960 -0.001 0.000 0.298 226 G C -1.803 172.964 174.900 -0.221 0.000 1.498 226 G CA -1.090 43.786 45.100 -0.372 0.000 0.847 226 G HN 0.267 nan 8.290 nan 0.000 0.594 227 N N -0.710 117.808 118.700 -0.303 0.000 2.471 227 N HA 0.427 5.167 4.740 -0.001 0.000 0.288 227 N C -0.781 174.727 175.510 -0.002 0.000 1.220 227 N CA -0.851 52.147 53.050 -0.088 0.000 0.893 227 N CB 2.000 40.388 38.487 -0.165 0.000 1.256 227 N HN 0.536 nan 8.380 nan 0.000 0.534 228 W N 2.787 124.023 121.300 -0.106 0.000 2.365 228 W HA 0.142 4.801 4.660 -0.001 0.000 0.371 228 W C -0.955 175.467 176.519 -0.162 0.000 1.006 228 W CA 0.002 57.340 57.345 -0.012 0.000 1.528 228 W CB -0.284 29.176 29.460 -0.000 0.000 1.497 228 W HN 0.458 nan 8.180 nan 0.000 0.367 229 H N 4.868 123.863 119.070 -0.125 0.000 2.787 229 H HA 0.181 4.736 4.556 -0.001 0.000 0.275 229 H C -0.190 175.022 175.328 -0.194 0.000 1.183 229 H CA -0.033 55.952 56.048 -0.105 0.000 1.290 229 H CB 1.089 30.778 29.762 -0.123 0.000 1.438 229 H HN 0.159 nan 8.280 nan 0.000 0.487 230 C N 4.469 123.772 119.300 0.006 0.000 2.547 230 C HA 0.354 4.814 4.460 -0.001 0.000 0.327 230 C C -0.887 174.148 174.990 0.074 0.000 1.076 230 C CA -0.357 58.662 59.018 0.002 0.000 1.390 230 C CB -0.408 27.349 27.740 0.028 0.000 1.918 230 C HN 0.929 nan 8.230 nan 0.000 0.438 231 D N 2.154 122.576 120.400 0.037 0.000 2.710 231 D HA 0.643 5.282 4.640 -0.001 0.000 0.276 231 D C -1.277 175.017 176.300 -0.011 0.000 1.267 231 D CA 0.158 54.180 54.000 0.037 0.000 0.772 231 D CB 2.110 42.946 40.800 0.059 0.000 1.299 231 D HN 0.627 nan 8.370 nan 0.000 0.421 232 S N 0.809 116.500 115.700 -0.015 0.000 2.603 232 S HA 0.725 5.195 4.470 -0.001 0.000 0.274 232 S C -1.461 173.104 174.600 -0.059 0.000 1.168 232 S CA -0.851 57.289 58.200 -0.100 0.000 0.963 232 S CB 1.722 64.808 63.200 -0.190 0.000 1.078 232 S HN 0.462 nan 8.310 nan 0.000 0.477 233 Q N 1.408 121.145 119.800 -0.104 0.000 2.458 233 Q HA 0.808 5.148 4.340 -0.001 0.000 0.282 233 Q C -1.675 174.266 176.000 -0.098 0.000 1.106 233 Q CA -0.592 55.224 55.803 0.023 0.000 0.814 233 Q CB 0.428 29.210 28.738 0.073 0.000 1.425 233 Q HN 0.761 nan 8.270 nan 0.000 0.437 234 W N 0.340 121.660 121.300 0.033 0.000 2.639 234 W HA 0.573 5.232 4.660 -0.001 0.000 0.347 234 W C -0.011 176.529 176.519 0.035 0.000 1.067 234 W CA -0.782 56.587 57.345 0.040 0.000 1.218 234 W CB 1.105 30.584 29.460 0.031 0.000 1.393 234 W HN 0.451 nan 8.180 nan 0.000 0.557 235 L N 2.769 124.149 121.223 0.262 0.000 2.906 235 L HA 0.234 4.574 4.340 -0.001 0.000 0.255 235 L C 1.666 178.631 176.870 0.158 0.000 1.166 235 L CA 0.904 55.841 54.840 0.163 0.000 0.977 235 L CB -0.745 41.378 42.059 0.106 0.000 1.313 235 L HN 1.013 nan 8.230 nan 0.000 0.549 236 G N 1.076 110.006 108.800 0.216 0.000 2.480 236 G HA2 -0.446 3.513 3.960 -0.001 0.000 0.246 236 G HA3 -0.446 3.513 3.960 -0.001 0.000 0.246 236 G C 0.989 175.973 174.900 0.139 0.000 1.073 236 G CA 1.120 46.308 45.100 0.147 0.000 0.643 236 G HN 0.384 nan 8.290 nan 0.000 0.525 237 D N 0.352 120.835 120.400 0.138 0.000 2.388 237 D HA 0.190 4.829 4.640 -0.001 0.000 0.208 237 D C 1.229 177.633 176.300 0.173 0.000 1.035 237 D CA 1.173 55.251 54.000 0.129 0.000 0.875 237 D CB 0.191 41.046 40.800 0.092 0.000 0.984 237 D HN 0.864 nan 8.370 nan 0.000 0.508 238 R N -1.746 118.865 120.500 0.187 0.000 2.741 238 R HA 0.568 4.907 4.340 -0.001 0.000 0.276 238 R C -2.037 174.351 176.300 0.147 0.000 1.028 238 R CA -0.979 55.235 56.100 0.190 0.000 0.865 238 R CB 1.075 31.457 30.300 0.136 0.000 1.268 238 R HN -0.128 nan 8.270 nan 0.000 0.475 239 V N 1.627 121.593 119.914 0.088 0.000 2.686 239 V HA 0.564 4.684 4.120 -0.001 0.000 0.306 239 V C -1.577 174.487 176.094 -0.051 0.000 1.065 239 V CA -0.877 61.324 62.300 -0.165 0.000 0.894 239 V CB 1.956 33.356 31.823 -0.704 0.000 1.004 239 V HN 0.673 nan 8.190 nan 0.000 0.424 240 I N 5.595 126.082 120.570 -0.139 0.000 2.339 240 I HA 0.505 4.675 4.170 -0.001 0.000 0.290 240 I C 0.442 176.479 176.117 -0.134 0.000 0.994 240 I CA 0.071 61.333 61.300 -0.064 0.000 1.191 240 I CB 2.055 40.015 38.000 -0.066 0.000 1.343 240 I HN 0.783 nan 8.210 nan 0.000 0.458 241 T N 1.453 115.971 114.554 -0.061 0.000 2.756 241 T HA 0.597 4.947 4.350 -0.001 0.000 0.290 241 T C -0.070 174.600 174.700 -0.049 0.000 0.985 241 T CA -0.681 61.337 62.100 -0.137 0.000 0.955 241 T CB 0.522 69.240 68.868 -0.250 0.000 0.930 241 T HN 0.474 nan 8.240 nan 0.000 0.451 242 T N 2.893 117.412 114.554 -0.059 0.000 2.794 242 T HA 0.637 4.987 4.350 -0.001 0.000 0.280 242 T C -0.301 174.374 174.700 -0.043 0.000 0.987 242 T CA -0.738 61.335 62.100 -0.045 0.000 0.993 242 T CB 1.451 70.297 68.868 -0.037 0.000 0.939 242 T HN 0.703 nan 8.240 nan 0.000 0.449 243 S N 1.930 117.593 115.700 -0.062 0.000 2.571 243 S HA 0.685 5.154 4.470 -0.001 0.000 0.284 243 S C -0.936 173.545 174.600 -0.199 0.000 1.128 243 S CA -0.537 57.606 58.200 -0.096 0.000 0.970 243 S CB 1.207 64.384 63.200 -0.037 0.000 1.039 243 S HN 0.665 nan 8.310 nan 0.000 0.485 244 T N 5.322 119.656 114.554 -0.366 0.000 2.881 244 T HA 0.665 5.014 4.350 -0.001 0.000 0.290 244 T C -0.958 173.362 174.700 -0.634 0.000 1.000 244 T CA -0.840 60.883 62.100 -0.629 0.000 0.978 244 T CB 1.089 69.237 68.868 -1.200 0.000 0.997 244 T HN 0.505 nan 8.240 nan 0.000 0.443 245 R N 1.234 121.568 120.500 -0.276 0.000 2.836 245 R HA 0.638 4.977 4.340 -0.001 0.000 0.269 245 R C -0.814 175.620 176.300 0.224 0.000 1.010 245 R CA -0.816 55.352 56.100 0.113 0.000 0.930 245 R CB 1.681 32.191 30.300 0.350 0.000 1.218 245 R HN 0.564 nan 8.270 nan 0.000 0.473 246 T N 2.615 117.358 114.554 0.316 0.000 2.799 246 T HA 0.514 4.864 4.350 -0.001 0.000 0.286 246 T C -0.194 174.462 174.700 -0.074 0.000 0.973 246 T CA -0.624 61.516 62.100 0.067 0.000 1.035 246 T CB 0.661 69.561 68.868 0.054 0.000 0.932 246 T HN 0.456 nan 8.240 nan 0.000 0.469 247 W N 0.666 121.808 121.300 -0.264 0.000 2.799 247 W HA 0.836 5.495 4.660 -0.001 0.000 0.349 247 W C -1.301 174.995 176.519 -0.371 0.000 1.100 247 W CA -1.716 55.195 57.345 -0.723 0.000 1.174 247 W CB 1.391 30.498 29.460 -0.588 0.000 1.427 247 W HN 0.730 nan 8.180 nan 0.000 0.547 248 A N 2.735 125.541 122.820 -0.023 0.000 2.414 248 A HA 0.762 5.081 4.320 -0.001 0.000 0.306 248 A C -2.198 175.507 177.584 0.201 0.000 1.054 248 A CA -0.759 51.341 52.037 0.105 0.000 0.724 248 A CB 1.980 20.963 19.000 -0.027 0.000 1.267 248 A HN 0.675 nan 8.150 nan 0.000 0.418 249 L N 3.672 125.067 121.223 0.286 0.000 2.404 249 L HA 0.689 5.029 4.340 -0.001 0.000 0.272 249 L C -2.683 174.239 176.870 0.086 0.000 0.980 249 L CA -1.585 53.352 54.840 0.162 0.000 0.836 249 L CB 2.124 44.275 42.059 0.153 0.000 1.238 249 L HN 0.443 nan 8.230 nan 0.000 0.408 250 P HA 0.375 nan 4.420 nan 0.000 0.293 250 P C -1.048 176.094 177.300 -0.262 0.000 1.304 250 P CA -0.419 62.541 63.100 -0.233 0.000 0.767 250 P CB 0.540 31.931 31.700 -0.515 0.000 1.247 251 T N 0.610 114.996 114.554 -0.279 0.000 2.762 251 T HA 0.321 4.670 4.350 -0.001 0.000 0.303 251 T C -0.363 174.130 174.700 -0.345 0.000 0.977 251 T CA 0.080 62.005 62.100 -0.293 0.000 0.961 251 T CB -0.846 67.807 68.868 -0.359 0.000 0.944 251 T HN 0.126 nan 8.240 nan 0.000 0.481 252 Y N 2.085 122.280 120.300 -0.175 0.000 2.301 252 Y HA 0.188 4.738 4.550 -0.001 0.000 0.328 252 Y C 1.684 177.498 175.900 -0.143 0.000 1.242 252 Y CA -0.213 57.812 58.100 -0.126 0.000 1.323 252 Y CB 0.410 38.825 38.460 -0.075 0.000 1.266 252 Y HN 0.707 nan 8.280 nan 0.000 0.527 253 N N 1.939 120.695 118.700 0.092 0.000 2.650 253 N HA -0.395 4.345 4.740 -0.001 0.000 0.249 253 N C -0.365 175.138 175.510 -0.012 0.000 1.155 253 N CA 0.770 53.845 53.050 0.042 0.000 0.747 253 N CB -0.598 37.919 38.487 0.051 0.000 1.132 253 N HN 0.766 nan 8.380 nan 0.000 0.564 254 N N 0.172 118.810 118.700 -0.104 0.000 2.714 254 N HA -0.208 4.532 4.740 -0.001 0.000 0.253 254 N C -0.559 174.897 175.510 -0.089 0.000 1.024 254 N CA 2.032 54.999 53.050 -0.138 0.000 0.726 254 N CB -1.746 36.751 38.487 0.017 0.000 0.908 254 N HN 0.721 nan 8.380 nan 0.000 0.542 255 H N -2.726 116.298 119.070 -0.076 0.000 2.861 255 H HA -0.203 4.353 4.556 -0.001 0.000 0.289 255 H C -0.159 175.144 175.328 -0.042 0.000 1.176 255 H CA 1.212 57.165 56.048 -0.159 0.000 1.146 255 H CB -1.138 28.389 29.762 -0.392 0.000 1.330 255 H HN 0.352 nan 8.280 nan 0.000 0.379 256 L N 0.133 121.399 121.223 0.072 0.000 2.401 256 L HA 0.451 4.791 4.340 -0.001 0.000 0.266 256 L C -0.240 176.691 176.870 0.101 0.000 0.991 256 L CA -1.029 53.900 54.840 0.149 0.000 0.818 256 L CB 1.405 43.568 42.059 0.174 0.000 1.321 256 L HN 0.021 nan 8.230 nan 0.000 0.413 257 Y N 2.077 122.529 120.300 0.254 0.000 2.336 257 Y HA 0.323 4.872 4.550 -0.001 0.000 0.335 257 Y C 0.031 176.088 175.900 0.262 0.000 1.046 257 Y CA -0.162 58.125 58.100 0.312 0.000 1.198 257 Y CB 1.012 39.725 38.460 0.423 0.000 1.182 257 Y HN 0.284 nan 8.280 nan 0.000 0.502 258 K N 2.872 123.482 120.400 0.350 0.000 2.270 258 K HA 0.225 4.544 4.320 -0.001 0.000 0.255 258 K C -0.818 175.872 176.600 0.150 0.000 0.936 258 K CA -1.060 55.353 56.287 0.210 0.000 0.809 258 K CB 1.965 34.531 32.500 0.109 0.000 1.131 258 K HN 0.597 nan 8.250 nan 0.000 0.427 259 Q N 5.110 124.919 119.800 0.014 0.000 2.307 259 Q HA 0.194 4.534 4.340 -0.001 0.000 0.261 259 Q C -0.525 175.223 176.000 -0.419 0.000 1.051 259 Q CA -0.334 55.226 55.803 -0.405 0.000 0.911 259 Q CB 0.200 28.743 28.738 -0.325 0.000 1.227 259 Q HN 0.581 nan 8.270 nan 0.000 0.418 260 I N 1.029 121.257 120.570 -0.569 0.000 2.707 260 I HA 0.793 4.963 4.170 -0.001 0.000 0.309 260 I C -0.507 175.250 176.117 -0.599 0.000 1.001 260 I CA -0.727 60.343 61.300 -0.383 0.000 1.129 260 I CB 2.079 39.985 38.000 -0.156 0.000 1.308 260 I HN 0.693 nan 8.210 nan 0.000 0.466 261 S N 1.864 117.253 115.700 -0.517 0.000 2.661 261 S HA 0.468 4.937 4.470 -0.001 0.000 0.268 261 S C -0.560 173.497 174.600 -0.906 0.000 1.162 261 S CA -0.591 57.148 58.200 -0.769 0.000 0.817 261 S CB 0.873 63.934 63.200 -0.231 0.000 1.141 261 S HN 0.995 nan 8.310 nan 0.000 0.477 262 S N 1.148 116.364 115.700 -0.805 0.000 2.576 262 S HA 0.356 4.826 4.470 -0.001 0.000 0.276 262 S C 0.089 174.670 174.600 -0.032 0.000 1.339 262 S CA -0.552 57.508 58.200 -0.233 0.000 1.039 262 S CB 0.290 63.555 63.200 0.108 0.000 0.902 262 S HN 0.769 nan 8.310 nan 0.000 0.516 263 Q N 1.460 121.281 119.800 0.035 0.000 2.349 263 Q HA 0.055 4.394 4.340 -0.001 0.000 0.287 263 Q C -0.356 175.670 176.000 0.042 0.000 1.044 263 Q CA 0.380 56.197 55.803 0.024 0.000 0.918 263 Q CB 0.549 29.297 28.738 0.018 0.000 1.242 263 Q HN 0.827 nan 8.270 nan 0.000 0.405 264 S N 2.502 118.222 115.700 0.033 0.000 2.711 264 S HA 0.211 4.680 4.470 -0.001 0.000 0.335 264 S C 0.681 175.310 174.600 0.049 0.000 1.175 264 S CA 0.422 58.649 58.200 0.045 0.000 1.372 264 S CB -0.742 62.470 63.200 0.020 0.000 1.337 264 S HN 0.812 nan 8.310 nan 0.000 0.572 265 G N 2.020 110.875 108.800 0.091 0.000 2.353 265 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.294 265 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.294 265 G C 0.466 175.370 174.900 0.007 0.000 1.077 265 G CA -0.021 45.117 45.100 0.064 0.000 1.098 265 G HN 0.958 nan 8.290 nan 0.000 0.511 266 A N -1.076 121.723 122.820 -0.035 0.000 2.127 266 A HA 0.818 5.137 4.320 -0.001 0.000 0.204 266 A C 1.085 178.602 177.584 -0.112 0.000 1.243 266 A CA 1.603 53.604 52.037 -0.060 0.000 0.887 266 A CB 0.834 19.808 19.000 -0.044 0.000 0.933 266 A HN 1.558 nan 8.150 nan 0.000 0.479 267 S N -2.002 113.573 115.700 -0.208 0.000 2.552 267 S HA 0.334 4.803 4.470 -0.001 0.000 0.272 267 S C 0.026 174.369 174.600 -0.428 0.000 1.150 267 S CA -0.392 57.658 58.200 -0.250 0.000 0.849 267 S CB 1.258 64.327 63.200 -0.218 0.000 1.113 267 S HN 0.406 nan 8.310 nan 0.000 0.458 268 N N 0.665 119.241 118.700 -0.207 0.000 2.571 268 N HA 0.034 4.774 4.740 -0.001 0.000 0.195 268 N C 0.017 175.569 175.510 0.069 0.000 1.040 268 N CA 0.202 53.241 53.050 -0.018 0.000 0.890 268 N CB 0.128 38.667 38.487 0.085 0.000 1.233 268 N HN 0.511 nan 8.380 nan 0.000 0.435 269 D N 0.651 121.059 120.400 0.013 0.000 2.363 269 D HA 0.030 4.670 4.640 -0.001 0.000 0.226 269 D C -0.019 176.294 176.300 0.021 0.000 1.020 269 D CA 0.632 54.671 54.000 0.064 0.000 0.892 269 D CB -0.200 40.657 40.800 0.094 0.000 0.900 269 D HN 0.408 nan 8.370 nan 0.000 0.531 270 N N -0.604 118.067 118.700 -0.049 0.000 2.200 270 N HA 0.006 4.745 4.740 -0.001 0.000 0.224 270 N C 0.039 175.593 175.510 0.075 0.000 1.179 270 N CA -0.354 52.675 53.050 -0.036 0.000 0.877 270 N CB 0.734 39.152 38.487 -0.116 0.000 1.072 270 N HN 0.070 nan 8.380 nan 0.000 0.519 271 H N 1.118 120.273 119.070 0.141 0.000 2.871 271 H HA 0.045 4.600 4.556 -0.001 0.000 0.355 271 H C -0.423 175.080 175.328 0.292 0.000 1.092 271 H CA 0.678 56.834 56.048 0.180 0.000 1.420 271 H CB 0.368 30.185 29.762 0.092 0.000 1.400 271 H HN 0.259 nan 8.280 nan 0.000 0.604 272 Y N 0.547 120.971 120.300 0.206 0.000 2.702 272 Y HA 0.472 5.022 4.550 -0.001 0.000 0.336 272 Y C -2.271 173.745 175.900 0.193 0.000 1.203 272 Y CA -1.377 56.813 58.100 0.151 0.000 1.072 272 Y CB 1.307 39.811 38.460 0.073 0.000 1.327 272 Y HN 0.403 nan 8.280 nan 0.000 0.456 273 F N 1.281 121.200 119.950 -0.052 0.000 2.588 273 F HA 0.833 5.359 4.527 -0.001 0.000 0.314 273 F C -0.347 175.405 175.800 -0.081 0.000 1.134 273 F CA 0.036 57.916 58.000 -0.199 0.000 0.961 273 F CB 1.967 40.874 39.000 -0.155 0.000 1.239 273 F HN 1.087 nan 8.300 nan 0.000 0.448 274 G N 2.934 111.227 108.800 -0.845 0.000 2.588 274 G HA2 0.491 4.451 3.960 -0.001 0.000 0.281 274 G HA3 0.491 4.451 3.960 -0.001 0.000 0.281 274 G C -2.405 171.863 174.900 -1.055 0.000 1.223 274 G CA -0.579 44.138 45.100 -0.639 0.000 0.871 274 G HN 0.516 nan 8.290 nan 0.000 0.492 275 Y N -0.893 119.041 120.300 -0.611 0.000 2.588 275 Y HA 0.728 5.278 4.550 -0.001 0.000 0.343 275 Y C 0.093 175.841 175.900 -0.253 0.000 1.065 275 Y CA -0.796 57.074 58.100 -0.384 0.000 1.038 275 Y CB 2.603 40.946 38.460 -0.195 0.000 1.297 275 Y HN 0.538 nan 8.280 nan 0.000 0.467 276 S N 1.298 117.073 115.700 0.125 0.000 2.456 276 S HA 0.572 5.042 4.470 -0.001 0.000 0.316 276 S C -0.594 174.133 174.600 0.213 0.000 1.089 276 S CA -0.539 57.727 58.200 0.111 0.000 1.101 276 S CB 0.199 63.432 63.200 0.056 0.000 0.995 276 S HN 0.701 nan 8.310 nan 0.000 0.468 277 T N 2.734 117.422 114.554 0.223 0.000 2.902 277 T HA 0.563 4.913 4.350 -0.001 0.000 0.283 277 T C -2.424 172.289 174.700 0.021 0.000 1.009 277 T CA -2.080 60.094 62.100 0.124 0.000 1.051 277 T CB 1.375 70.553 68.868 0.517 0.000 0.999 277 T HN 0.297 nan 8.240 nan 0.000 0.474 278 P HA 0.145 nan 4.420 nan 0.000 0.242 278 P C -0.689 176.571 177.300 -0.067 0.000 1.197 278 P CA 0.042 63.072 63.100 -0.116 0.000 0.765 278 P CB -0.084 31.463 31.700 -0.255 0.000 0.936 279 W N 0.323 121.607 121.300 -0.026 0.000 2.375 279 W HA 0.560 5.219 4.660 -0.001 0.000 0.336 279 W C 1.073 177.571 176.519 -0.035 0.000 1.160 279 W CA -0.045 57.298 57.345 -0.004 0.000 1.266 279 W CB 0.687 30.137 29.460 -0.017 0.000 1.195 279 W HN -0.189 nan 8.180 nan 0.000 0.599 280 G N 0.566 109.462 108.800 0.159 0.000 2.705 280 G HA2 0.738 4.698 3.960 -0.001 0.000 0.299 280 G HA3 0.738 4.698 3.960 -0.001 0.000 0.299 280 G C -1.971 172.929 174.900 -0.001 0.000 1.315 280 G CA -0.711 44.364 45.100 -0.042 0.000 1.045 280 G HN 0.574 nan 8.290 nan 0.000 0.517 281 Y N -2.923 117.228 120.300 -0.247 0.000 2.624 281 Y HA 0.733 5.282 4.550 -0.001 0.000 0.334 281 Y C -1.790 173.917 175.900 -0.322 0.000 1.155 281 Y CA -2.188 55.755 58.100 -0.261 0.000 1.046 281 Y CB 1.063 39.410 38.460 -0.190 0.000 1.316 281 Y HN 0.395 nan 8.280 nan 0.000 0.457 282 F N 1.551 121.553 119.950 0.087 0.000 2.422 282 F HA 0.566 5.093 4.527 -0.001 0.000 0.333 282 F C -0.265 175.636 175.800 0.169 0.000 1.095 282 F CA -0.078 58.012 58.000 0.149 0.000 1.038 282 F CB 1.696 40.862 39.000 0.276 0.000 1.156 282 F HN 0.636 nan 8.300 nan 0.000 0.483 283 D N 1.718 122.311 120.400 0.320 0.000 2.753 283 D HA 0.446 5.085 4.640 -0.001 0.000 0.224 283 D C -0.886 175.496 176.300 0.137 0.000 1.213 283 D CA -0.516 53.525 54.000 0.067 0.000 0.833 283 D CB 1.290 42.141 40.800 0.085 0.000 1.607 283 D HN 0.289 nan 8.370 nan 0.000 0.463 284 F N 0.611 120.661 119.950 0.167 0.000 2.656 284 F HA 0.386 4.912 4.527 -0.001 0.000 0.363 284 F C 0.300 176.149 175.800 0.082 0.000 1.313 284 F CA -0.814 57.248 58.000 0.103 0.000 1.089 284 F CB -0.971 38.181 39.000 0.254 0.000 1.247 284 F HN 0.279 nan 8.300 nan 0.000 0.509 285 N N 1.839 120.371 118.700 -0.280 0.000 2.581 285 N HA 0.134 4.874 4.740 -0.001 0.000 0.230 285 N C -0.384 174.923 175.510 -0.339 0.000 1.310 285 N CA 0.011 52.700 53.050 -0.601 0.000 0.886 285 N CB 0.184 38.122 38.487 -0.914 0.000 1.205 285 N HN 0.371 nan 8.380 nan 0.000 0.488 286 R N -0.410 119.967 120.500 -0.205 0.000 2.628 286 R HA 0.193 4.532 4.340 -0.001 0.000 0.288 286 R C 0.015 176.189 176.300 -0.210 0.000 0.980 286 R CA -0.655 55.272 56.100 -0.288 0.000 0.891 286 R CB 0.941 30.926 30.300 -0.526 0.000 1.188 286 R HN 0.129 nan 8.270 nan 0.000 0.450 287 F N 1.015 120.961 119.950 -0.007 0.000 2.216 287 F HA -0.184 4.343 4.527 -0.001 0.000 0.300 287 F C 2.316 178.155 175.800 0.065 0.000 1.085 287 F CA 1.701 59.789 58.000 0.146 0.000 1.326 287 F CB -0.071 38.837 39.000 -0.154 0.000 1.027 287 F HN 0.721 nan 8.300 nan 0.000 0.497 288 H N -2.790 116.345 119.070 0.109 0.000 2.561 288 H HA -0.039 4.516 4.556 -0.001 0.000 0.278 288 H C 1.754 177.095 175.328 0.021 0.000 1.014 288 H CA 0.579 56.652 56.048 0.041 0.000 1.211 288 H CB -1.415 28.346 29.762 -0.000 0.000 1.365 288 H HN 0.248 nan 8.280 nan 0.000 0.594 289 C N 0.671 119.829 119.300 -0.236 0.000 2.432 289 C HA -0.034 4.426 4.460 -0.001 0.000 0.280 289 C C 1.848 176.606 174.990 -0.387 0.000 1.353 289 C CA 1.015 59.820 59.018 -0.355 0.000 1.766 289 C CB -0.613 26.752 27.740 -0.624 0.000 1.924 289 C HN 0.799 nan 8.230 nan 0.000 0.509 290 H N -2.791 116.398 119.070 0.199 0.000 2.521 290 H HA 0.243 4.799 4.556 -0.001 0.000 0.267 290 H C 0.128 175.416 175.328 -0.066 0.000 0.963 290 H CA 0.192 56.288 56.048 0.079 0.000 1.175 290 H CB -0.200 29.662 29.762 0.166 0.000 1.450 290 H HN 0.311 nan 8.280 nan 0.000 0.472 291 F N 2.897 122.984 119.950 0.229 0.000 2.394 291 F HA 0.261 4.788 4.527 -0.001 0.000 0.340 291 F C 1.142 177.017 175.800 0.124 0.000 1.105 291 F CA -0.856 57.243 58.000 0.165 0.000 1.124 291 F CB 1.206 40.362 39.000 0.259 0.000 1.145 291 F HN -0.037 nan 8.300 nan 0.000 0.505 292 S N 2.738 118.603 115.700 0.274 0.000 2.632 292 S HA 0.369 4.839 4.470 -0.001 0.000 0.267 292 S C -2.023 172.681 174.600 0.173 0.000 1.276 292 S CA -1.168 57.145 58.200 0.189 0.000 0.998 292 S CB 1.507 64.799 63.200 0.152 0.000 0.953 292 S HN 0.344 nan 8.310 nan 0.000 0.547 293 P HA -0.173 nan 4.420 nan 0.000 0.216 293 P C 1.713 179.005 177.300 -0.013 0.000 1.157 293 P CA 1.305 64.309 63.100 -0.160 0.000 0.880 293 P CB -0.032 31.488 31.700 -0.300 0.000 0.791 294 R N 0.343 120.884 120.500 0.069 0.000 2.070 294 R HA -0.143 4.196 4.340 -0.001 0.000 0.233 294 R C 1.835 178.224 176.300 0.149 0.000 1.137 294 R CA 2.057 58.215 56.100 0.097 0.000 0.945 294 R CB -1.663 28.703 30.300 0.111 0.000 0.845 294 R HN 0.096 nan 8.270 nan 0.000 0.430 295 D N -0.352 120.208 120.400 0.267 0.000 2.116 295 D HA -0.257 4.383 4.640 -0.001 0.000 0.193 295 D C 1.689 178.232 176.300 0.405 0.000 0.998 295 D CA 1.323 55.605 54.000 0.470 0.000 0.836 295 D CB -0.651 40.476 40.800 0.544 0.000 0.951 295 D HN 0.409 nan 8.370 nan 0.000 0.449 296 W N 1.944 123.294 121.300 0.083 0.000 2.325 296 W HA -0.234 4.426 4.660 -0.001 0.000 0.299 296 W C 2.220 178.611 176.519 -0.214 0.000 1.215 296 W CA 1.416 58.662 57.345 -0.164 0.000 1.244 296 W CB -0.087 29.226 29.460 -0.245 0.000 1.140 296 W HN 0.119 nan 8.180 nan 0.000 0.523 297 Q N 0.340 120.108 119.800 -0.053 0.000 2.020 297 Q HA -0.234 4.106 4.340 -0.001 0.000 0.202 297 Q C 2.433 178.306 176.000 -0.213 0.000 0.982 297 Q CA 2.150 57.856 55.803 -0.161 0.000 0.838 297 Q CB -0.276 28.440 28.738 -0.036 0.000 0.899 297 Q HN 0.219 nan 8.270 nan 0.000 0.423 298 R N 0.361 120.752 120.500 -0.181 0.000 2.094 298 R HA -0.190 4.149 4.340 -0.001 0.000 0.239 298 R C 2.529 178.622 176.300 -0.345 0.000 1.137 298 R CA 1.702 57.604 56.100 -0.330 0.000 0.943 298 R CB -0.799 29.157 30.300 -0.574 0.000 0.850 298 R HN 0.354 nan 8.270 nan 0.000 0.433 299 L N 0.812 121.894 121.223 -0.236 0.000 1.956 299 L HA -0.258 4.082 4.340 -0.001 0.000 0.216 299 L C 2.238 178.889 176.870 -0.365 0.000 1.073 299 L CA 1.534 56.233 54.840 -0.235 0.000 0.762 299 L CB -0.288 41.498 42.059 -0.455 0.000 0.889 299 L HN 0.186 nan 8.230 nan 0.000 0.433 300 I N 0.449 120.690 120.570 -0.548 0.000 2.163 300 I HA -0.303 3.866 4.170 -0.001 0.000 0.243 300 I C 1.949 177.940 176.117 -0.211 0.000 1.085 300 I CA 1.529 62.558 61.300 -0.452 0.000 1.347 300 I CB -1.654 35.986 38.000 -0.600 0.000 1.044 300 I HN 0.448 nan 8.210 nan 0.000 0.408 301 N N 1.032 119.599 118.700 -0.221 0.000 2.521 301 N HA -0.058 4.682 4.740 -0.001 0.000 0.188 301 N C 1.070 176.536 175.510 -0.072 0.000 1.146 301 N CA 0.451 53.430 53.050 -0.117 0.000 0.893 301 N CB -0.077 38.331 38.487 -0.132 0.000 0.975 301 N HN 0.469 nan 8.380 nan 0.000 0.451 302 N N -0.282 118.362 118.700 -0.094 0.000 2.266 302 N HA 0.089 4.829 4.740 -0.001 0.000 0.217 302 N C -0.616 174.857 175.510 -0.063 0.000 1.211 302 N CA 0.014 53.001 53.050 -0.105 0.000 0.881 302 N CB 0.783 39.166 38.487 -0.173 0.000 1.153 302 N HN 0.150 nan 8.380 nan 0.000 0.489 303 N N -0.145 118.575 118.700 0.033 0.000 2.342 303 N HA 0.141 4.880 4.740 -0.001 0.000 0.293 303 N C 0.334 176.059 175.510 0.358 0.000 1.026 303 N CA -0.442 52.686 53.050 0.130 0.000 0.857 303 N CB 1.770 40.359 38.487 0.171 0.000 1.256 303 N HN 0.143 nan 8.380 nan 0.000 0.484 304 W N 1.916 123.237 121.300 0.034 0.000 2.321 304 W HA -0.127 4.533 4.660 -0.001 0.000 0.306 304 W C 1.119 177.727 176.519 0.148 0.000 1.217 304 W CA 0.266 57.629 57.345 0.030 0.000 1.257 304 W CB 0.343 29.733 29.460 -0.117 0.000 1.145 304 W HN 0.591 nan 8.180 nan 0.000 0.509 305 G N -1.857 107.198 108.800 0.425 0.000 2.550 305 G HA2 0.468 4.427 3.960 -0.001 0.000 0.293 305 G HA3 0.468 4.427 3.960 -0.001 0.000 0.293 305 G C -1.821 173.535 174.900 0.759 0.000 1.402 305 G CA -0.658 44.731 45.100 0.483 0.000 0.784 305 G HN 0.087 nan 8.290 nan 0.000 0.482 306 F N -1.314 119.078 119.950 0.737 0.000 2.779 306 F HA 0.945 5.472 4.527 -0.001 0.000 0.316 306 F C -0.759 175.289 175.800 0.413 0.000 1.164 306 F CA -1.367 57.009 58.000 0.627 0.000 0.924 306 F CB 1.652 40.882 39.000 0.384 0.000 1.348 306 F HN 0.928 nan 8.300 nan 0.000 0.467 307 R N -0.358 120.344 120.500 0.336 0.000 2.712 307 R HA 0.689 5.028 4.340 -0.001 0.000 0.272 307 R C -3.636 172.586 176.300 -0.129 0.000 1.032 307 R CA -1.932 54.021 56.100 -0.244 0.000 0.874 307 R CB 1.602 31.420 30.300 -0.802 0.000 1.256 307 R HN 0.374 nan 8.270 nan 0.000 0.468 308 P HA 0.315 nan 4.420 nan 0.000 0.278 308 P C -0.731 176.070 177.300 -0.832 0.000 1.238 308 P CA -0.581 61.757 63.100 -1.270 0.000 0.794 308 P CB 1.157 31.527 31.700 -2.217 0.000 0.955 309 K N 0.998 121.085 120.400 -0.522 0.000 2.537 309 K HA 0.281 4.600 4.320 -0.001 0.000 0.216 309 K C 0.401 177.033 176.600 0.053 0.000 1.349 309 K CA 0.754 56.942 56.287 -0.165 0.000 0.841 309 K CB 0.212 32.618 32.500 -0.158 0.000 1.659 309 K HN 0.348 nan 8.250 nan 0.000 0.435 310 K N 0.296 120.683 120.400 -0.023 0.000 2.331 310 K HA 0.552 4.871 4.320 -0.001 0.000 0.238 310 K C -1.224 175.366 176.600 -0.017 0.000 1.058 310 K CA -0.947 55.301 56.287 -0.064 0.000 0.871 310 K CB 1.712 34.137 32.500 -0.125 0.000 1.292 310 K HN -0.086 nan 8.250 nan 0.000 0.470 311 L N -0.353 120.823 121.223 -0.079 0.000 2.513 311 L HA 0.406 4.746 4.340 -0.001 0.000 0.261 311 L C -1.790 175.036 176.870 -0.073 0.000 0.945 311 L CA 0.007 54.829 54.840 -0.030 0.000 0.848 311 L CB 2.480 44.566 42.059 0.046 0.000 1.334 311 L HN 0.513 nan 8.230 nan 0.000 0.407 312 S N 4.376 120.054 115.700 -0.037 0.000 2.779 312 S HA 0.572 5.042 4.470 -0.001 0.000 0.293 312 S C -1.283 173.353 174.600 0.060 0.000 1.150 312 S CA -0.259 57.919 58.200 -0.036 0.000 1.057 312 S CB 0.735 63.876 63.200 -0.100 0.000 1.021 312 S HN 0.472 nan 8.310 nan 0.000 0.485 313 F N 3.667 123.629 119.950 0.020 0.000 2.436 313 F HA 0.660 5.187 4.527 -0.001 0.000 0.340 313 F C -0.138 175.723 175.800 0.102 0.000 1.113 313 F CA -0.404 57.654 58.000 0.097 0.000 1.022 313 F CB 0.818 39.993 39.000 0.291 0.000 1.128 313 F HN 0.385 nan 8.300 nan 0.000 0.466 314 K N 7.230 127.357 120.400 -0.454 0.000 2.513 314 K HA 0.557 4.877 4.320 -0.001 0.000 0.251 314 K C -2.116 174.422 176.600 -0.103 0.000 0.939 314 K CA -0.619 55.593 56.287 -0.126 0.000 0.793 314 K CB 1.499 33.978 32.500 -0.035 0.000 1.241 314 K HN 0.763 nan 8.250 nan 0.000 0.431 315 L N 6.051 127.383 121.223 0.181 0.000 2.341 315 L HA 0.682 5.022 4.340 -0.001 0.000 0.278 315 L C -0.762 176.371 176.870 0.438 0.000 1.005 315 L CA -0.825 54.131 54.840 0.193 0.000 0.818 315 L CB 0.942 43.103 42.059 0.171 0.000 1.259 315 L HN 0.706 nan 8.230 nan 0.000 0.418 316 F N -0.515 119.546 119.950 0.186 0.000 2.985 316 F HA 0.399 4.925 4.527 -0.001 0.000 0.322 316 F C 0.059 175.944 175.800 0.143 0.000 1.187 316 F CA -1.441 56.648 58.000 0.148 0.000 0.910 316 F CB 1.082 40.134 39.000 0.088 0.000 1.411 316 F HN 0.459 nan 8.300 nan 0.000 0.492 317 N N 0.344 119.212 118.700 0.280 0.000 2.716 317 N HA -0.210 4.529 4.740 -0.001 0.000 0.250 317 N C -0.968 174.541 175.510 -0.002 0.000 1.033 317 N CA 0.567 53.689 53.050 0.120 0.000 0.727 317 N CB -1.142 37.407 38.487 0.104 0.000 0.950 317 N HN 0.470 nan 8.380 nan 0.000 0.541 318 I N 1.003 121.614 120.570 0.069 0.000 2.588 318 I HA 0.013 4.183 4.170 -0.001 0.000 0.283 318 I C 0.519 176.634 176.117 -0.004 0.000 1.119 318 I CA 0.483 61.819 61.300 0.060 0.000 1.419 318 I CB 0.669 38.782 38.000 0.189 0.000 1.394 318 I HN 0.143 nan 8.210 nan 0.000 0.562 319 Q N 5.436 125.192 119.800 -0.073 0.000 2.305 319 Q HA 0.511 4.850 4.340 -0.001 0.000 0.271 319 Q C -1.375 174.549 176.000 -0.127 0.000 1.046 319 Q CA -0.771 54.975 55.803 -0.094 0.000 0.798 319 Q CB 3.129 31.790 28.738 -0.128 0.000 1.286 319 Q HN 0.384 nan 8.270 nan 0.000 0.435 320 V N 3.366 123.209 119.914 -0.118 0.000 2.311 320 V HA 0.292 4.412 4.120 -0.001 0.000 0.275 320 V C -0.390 175.554 176.094 -0.250 0.000 1.022 320 V CA -0.706 61.493 62.300 -0.167 0.000 0.830 320 V CB 0.888 32.662 31.823 -0.082 0.000 1.012 320 V HN 0.545 nan 8.190 nan 0.000 0.452 321 K N 4.270 124.372 120.400 -0.496 0.000 2.183 321 K HA 0.496 4.816 4.320 -0.001 0.000 0.274 321 K C -0.118 176.234 176.600 -0.414 0.000 1.009 321 K CA -0.491 55.490 56.287 -0.510 0.000 0.888 321 K CB 2.198 34.257 32.500 -0.735 0.000 1.078 321 K HN 0.861 nan 8.250 nan 0.000 0.459 322 E N 0.520 120.632 120.200 -0.147 0.000 2.166 322 E HA 0.422 4.771 4.350 -0.001 0.000 0.275 322 E C -0.754 175.877 176.600 0.053 0.000 0.941 322 E CA -0.995 55.393 56.400 -0.020 0.000 0.784 322 E CB 1.874 31.573 29.700 -0.002 0.000 1.115 322 E HN 0.122 nan 8.360 nan 0.000 0.399 323 V N 2.756 122.739 119.914 0.114 0.000 2.630 323 V HA 0.751 4.871 4.120 -0.001 0.000 0.305 323 V C -0.910 175.226 176.094 0.071 0.000 1.046 323 V CA -0.018 62.349 62.300 0.111 0.000 0.934 323 V CB 1.928 33.838 31.823 0.145 0.000 1.003 323 V HN 1.001 nan 8.190 nan 0.000 0.451 324 T N 3.064 117.649 114.554 0.052 0.000 2.879 324 T HA 0.587 4.937 4.350 -0.001 0.000 0.290 324 T C -0.947 173.770 174.700 0.028 0.000 0.993 324 T CA -0.733 61.391 62.100 0.039 0.000 0.975 324 T CB 1.575 70.463 68.868 0.034 0.000 0.981 324 T HN 0.583 nan 8.240 nan 0.000 0.439 325 Q N 3.132 122.945 119.800 0.022 0.000 2.441 325 Q HA 0.404 4.744 4.340 -0.001 0.000 0.234 325 Q C 0.842 176.850 176.000 0.012 0.000 1.078 325 Q CA -0.506 55.305 55.803 0.014 0.000 0.907 325 Q CB 0.618 29.361 28.738 0.009 0.000 1.269 325 Q HN 0.547 nan 8.270 nan 0.000 0.502 326 N N 1.381 120.087 118.700 0.011 0.000 2.124 326 N HA -0.069 4.671 4.740 -0.001 0.000 0.189 326 N C 0.124 175.637 175.510 0.006 0.000 1.050 326 N CA 1.216 54.271 53.050 0.009 0.000 0.848 326 N CB 0.353 38.845 38.487 0.009 0.000 1.027 326 N HN 0.451 nan 8.380 nan 0.000 0.435 327 D N -1.370 119.033 120.400 0.004 0.000 3.013 327 D HA 0.206 4.845 4.640 -0.001 0.000 0.256 327 D C 1.020 177.320 176.300 0.001 0.000 1.573 327 D CA 0.611 54.613 54.000 0.002 0.000 1.197 327 D CB -0.372 40.429 40.800 0.002 0.000 1.041 327 D HN 0.275 nan 8.370 nan 0.000 0.304 328 G N -0.094 108.706 108.800 -0.000 0.000 3.969 328 G HA2 0.247 4.206 3.960 -0.001 0.000 0.291 328 G HA3 0.247 4.206 3.960 -0.001 0.000 0.291 328 G C -0.295 174.604 174.900 -0.002 0.000 1.016 328 G CA 0.058 45.157 45.100 -0.002 0.000 0.819 328 G HN 0.219 nan 8.290 nan 0.000 0.493 329 T N 0.657 115.211 114.554 0.000 0.000 2.881 329 T HA 0.503 4.853 4.350 -0.001 0.000 0.291 329 T C -0.149 174.554 174.700 0.004 0.000 0.990 329 T CA -0.293 61.808 62.100 0.001 0.000 0.976 329 T CB 1.085 69.954 68.868 0.002 0.000 0.970 329 T HN 0.108 nan 8.240 nan 0.000 0.438 330 T N 2.752 117.308 114.554 0.003 0.000 2.723 330 T HA 0.510 4.859 4.350 -0.001 0.000 0.297 330 T C 0.479 175.188 174.700 0.015 0.000 0.925 330 T CA -0.772 61.333 62.100 0.008 0.000 1.030 330 T CB 0.211 69.079 68.868 0.000 0.000 0.905 330 T HN 0.729 nan 8.240 nan 0.000 0.502 331 T N 1.906 116.473 114.554 0.022 0.000 2.795 331 T HA 0.691 5.041 4.350 -0.001 0.000 0.282 331 T C -0.063 174.662 174.700 0.042 0.000 0.980 331 T CA -0.958 61.157 62.100 0.026 0.000 1.012 331 T CB 0.578 69.457 68.868 0.020 0.000 0.936 331 T HN 0.636 nan 8.240 nan 0.000 0.457 332 I N 1.990 122.588 120.570 0.048 0.000 2.433 332 I HA 0.731 4.901 4.170 -0.001 0.000 0.292 332 I C 0.219 176.357 176.117 0.034 0.000 1.001 332 I CA -1.045 60.298 61.300 0.071 0.000 1.119 332 I CB 1.678 39.754 38.000 0.126 0.000 1.289 332 I HN 0.955 nan 8.210 nan 0.000 0.438 333 A N 5.124 127.951 122.820 0.012 0.000 2.525 333 A HA 0.665 4.985 4.320 -0.001 0.000 0.291 333 A C -1.220 176.338 177.584 -0.042 0.000 1.268 333 A CA -0.782 51.249 52.037 -0.010 0.000 0.712 333 A CB 1.386 20.384 19.000 -0.002 0.000 1.320 333 A HN 0.620 nan 8.150 nan 0.000 0.456 334 N N 2.009 120.687 118.700 -0.038 0.000 2.422 334 N HA 0.254 4.994 4.740 -0.001 0.000 0.266 334 N C -1.267 174.219 175.510 -0.040 0.000 1.007 334 N CA -0.186 52.834 53.050 -0.052 0.000 0.941 334 N CB 1.247 39.711 38.487 -0.039 0.000 1.115 334 N HN 0.564 nan 8.380 nan 0.000 0.492 335 N N 3.798 122.468 118.700 -0.052 0.000 2.955 335 N HA 0.200 4.940 4.740 -0.001 0.000 0.242 335 N C 1.047 176.540 175.510 -0.027 0.000 1.123 335 N CA -0.268 52.763 53.050 -0.032 0.000 0.949 335 N CB 0.163 38.632 38.487 -0.031 0.000 1.214 335 N HN 0.486 nan 8.380 nan 0.000 0.504 336 L N 0.541 121.753 121.223 -0.018 0.000 2.046 336 L HA -0.139 4.201 4.340 -0.001 0.000 0.208 336 L C 2.000 178.869 176.870 -0.002 0.000 1.077 336 L CA 1.528 56.362 54.840 -0.010 0.000 0.747 336 L CB -0.750 41.306 42.059 -0.004 0.000 0.896 336 L HN 0.505 nan 8.230 nan 0.000 0.432 337 T N -3.969 110.584 114.554 -0.001 0.000 3.227 337 T HA -0.010 4.339 4.350 -0.001 0.000 0.257 337 T C 0.816 175.517 174.700 0.002 0.000 1.162 337 T CA 0.014 62.116 62.100 0.003 0.000 1.051 337 T CB -0.101 68.769 68.868 0.004 0.000 0.953 337 T HN 0.117 nan 8.240 nan 0.000 0.535 338 S N 1.595 117.293 115.700 -0.003 0.000 2.616 338 S HA 0.600 5.070 4.470 -0.001 0.000 0.277 338 S C 0.235 174.837 174.600 0.003 0.000 1.234 338 S CA -0.572 57.624 58.200 -0.006 0.000 1.028 338 S CB 1.069 64.259 63.200 -0.016 0.000 0.988 338 S HN 0.715 nan 8.310 nan 0.000 0.522 339 T N 0.044 114.599 114.554 0.002 0.000 2.926 339 T HA 0.776 5.125 4.350 -0.001 0.000 0.289 339 T C -0.581 174.127 174.700 0.014 0.000 1.054 339 T CA -0.767 61.344 62.100 0.019 0.000 1.015 339 T CB 1.346 70.228 68.868 0.023 0.000 1.167 339 T HN 0.562 nan 8.240 nan 0.000 0.526 340 V N 0.187 120.124 119.914 0.039 0.000 3.040 340 V HA 0.593 4.713 4.120 -0.001 0.000 0.312 340 V C -1.649 174.468 176.094 0.039 0.000 1.115 340 V CA -0.829 61.487 62.300 0.027 0.000 0.998 340 V CB 2.267 34.136 31.823 0.076 0.000 1.042 340 V HN 1.059 nan 8.190 nan 0.000 0.433 341 Q N 3.223 123.031 119.800 0.013 0.000 2.330 341 Q HA 0.736 5.075 4.340 -0.001 0.000 0.269 341 Q C -1.567 174.566 176.000 0.223 0.000 1.022 341 Q CA -0.644 55.231 55.803 0.119 0.000 0.796 341 Q CB 2.537 31.359 28.738 0.140 0.000 1.271 341 Q HN 0.565 nan 8.270 nan 0.000 0.450 342 V N 2.985 122.995 119.914 0.159 0.000 2.823 342 V HA 0.757 4.876 4.120 -0.001 0.000 0.312 342 V C -0.771 175.352 176.094 0.047 0.000 1.072 342 V CA -0.900 61.368 62.300 -0.055 0.000 0.937 342 V CB 1.400 32.863 31.823 -0.599 0.000 1.013 342 V HN 0.778 nan 8.190 nan 0.000 0.430 343 F N 0.308 120.094 119.950 -0.274 0.000 2.703 343 F HA 0.727 5.254 4.527 -0.001 0.000 0.308 343 F C -0.904 174.682 175.800 -0.356 0.000 1.126 343 F CA -0.628 57.232 58.000 -0.234 0.000 0.959 343 F CB 1.851 40.745 39.000 -0.176 0.000 1.297 343 F HN 0.462 nan 8.300 nan 0.000 0.441 344 T N 1.504 115.902 114.554 -0.259 0.000 2.786 344 T HA 0.275 4.625 4.350 -0.001 0.000 0.283 344 T C -1.159 173.336 174.700 -0.343 0.000 0.992 344 T CA -0.383 61.404 62.100 -0.522 0.000 0.954 344 T CB 0.582 69.019 68.868 -0.718 0.000 0.934 344 T HN 0.824 nan 8.240 nan 0.000 0.440 345 D N 3.598 123.710 120.400 -0.479 0.000 2.441 345 D HA 0.221 4.861 4.640 -0.001 0.000 0.243 345 D C 0.820 176.866 176.300 -0.422 0.000 1.257 345 D CA 0.104 53.901 54.000 -0.339 0.000 1.027 345 D CB 0.119 40.676 40.800 -0.405 0.000 1.084 345 D HN 0.449 nan 8.370 nan 0.000 0.514 346 S N 2.298 117.807 115.700 -0.317 0.000 2.503 346 S HA 0.002 4.472 4.470 -0.001 0.000 0.215 346 S C 1.321 175.680 174.600 -0.402 0.000 1.003 346 S CA -0.079 57.883 58.200 -0.397 0.000 0.910 346 S CB 0.210 63.339 63.200 -0.119 0.000 0.790 346 S HN 0.544 nan 8.310 nan 0.000 0.514 347 E N 0.459 120.548 120.200 -0.185 0.000 2.489 347 E HA 0.084 4.434 4.350 -0.001 0.000 0.193 347 E C -0.814 175.838 176.600 0.085 0.000 1.057 347 E CA -0.192 56.197 56.400 -0.020 0.000 0.866 347 E CB -0.125 29.595 29.700 0.033 0.000 0.916 347 E HN 0.544 nan 8.360 nan 0.000 0.500 348 Y N 0.389 120.706 120.300 0.029 0.000 3.078 348 Y HA -0.302 4.247 4.550 -0.001 0.000 0.202 348 Y C 1.058 176.945 175.900 -0.021 0.000 1.322 348 Y CA 0.323 58.425 58.100 0.003 0.000 1.118 348 Y CB -2.260 36.202 38.460 0.004 0.000 1.343 348 Y HN 0.206 nan 8.280 nan 0.000 0.499 349 Q N -0.248 119.593 119.800 0.069 0.000 2.378 349 Q HA 0.265 4.605 4.340 -0.001 0.000 0.216 349 Q C 0.363 176.246 176.000 -0.196 0.000 0.892 349 Q CA 0.090 55.907 55.803 0.022 0.000 0.931 349 Q CB 0.699 29.525 28.738 0.148 0.000 1.086 349 Q HN 0.510 nan 8.270 nan 0.000 0.528 350 L N 2.412 123.484 121.223 -0.251 0.000 2.312 350 L HA 0.354 4.693 4.340 -0.001 0.000 0.281 350 L C -2.207 174.520 176.870 -0.238 0.000 1.070 350 L CA -2.316 52.247 54.840 -0.462 0.000 0.805 350 L CB 0.887 42.611 42.059 -0.558 0.000 1.174 350 L HN -0.167 nan 8.230 nan 0.000 0.434 351 P HA -0.142 nan 4.420 nan 0.000 0.258 351 P C -1.037 176.320 177.300 0.095 0.000 1.172 351 P CA 0.232 63.336 63.100 0.006 0.000 0.762 351 P CB -0.023 31.716 31.700 0.065 0.000 0.764 352 Y N 3.963 124.273 120.300 0.016 0.000 2.531 352 Y HA 0.114 4.664 4.550 -0.001 0.000 0.347 352 Y C 1.292 177.196 175.900 0.007 0.000 1.024 352 Y CA 0.409 58.521 58.100 0.021 0.000 1.306 352 Y CB 0.449 38.942 38.460 0.055 0.000 1.149 352 Y HN 0.155 nan 8.280 nan 0.000 0.527 353 V N 6.997 126.745 119.914 -0.276 0.000 3.621 353 V HA 0.157 4.277 4.120 -0.001 0.000 0.285 353 V C 0.458 176.362 176.094 -0.317 0.000 1.346 353 V CA 0.219 62.364 62.300 -0.259 0.000 1.104 353 V CB -0.471 31.122 31.823 -0.383 0.000 0.913 353 V HN 0.580 nan 8.190 nan 0.000 0.432 354 L N 0.115 121.030 121.223 -0.514 0.000 2.468 354 L HA 0.568 4.908 4.340 -0.001 0.000 0.254 354 L C 1.461 178.286 176.870 -0.076 0.000 1.171 354 L CA 0.514 55.137 54.840 -0.362 0.000 0.809 354 L CB 0.221 41.965 42.059 -0.525 0.000 1.155 354 L HN 0.305 nan 8.230 nan 0.000 0.473 355 G N 0.501 109.235 108.800 -0.110 0.000 2.198 355 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.257 355 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.257 355 G C 0.384 175.292 174.900 0.013 0.000 1.042 355 G CA 0.375 45.435 45.100 -0.067 0.000 0.791 355 G HN 0.538 nan 8.290 nan 0.000 0.502 356 S N -0.549 115.174 115.700 0.038 0.000 2.855 356 S HA 0.587 5.056 4.470 -0.001 0.000 0.249 356 S C 1.454 175.977 174.600 -0.130 0.000 1.033 356 S CA 1.026 59.239 58.200 0.021 0.000 1.038 356 S CB 0.675 63.966 63.200 0.152 0.000 0.960 356 S HN 2.187 nan 8.310 nan 0.000 0.548 357 A N 1.511 124.290 122.820 -0.067 0.000 2.847 357 A HA -0.214 4.106 4.320 -0.001 0.000 0.263 357 A C 0.331 177.861 177.584 -0.089 0.000 1.391 357 A CA 0.881 52.877 52.037 -0.068 0.000 0.866 357 A CB -2.281 16.673 19.000 -0.077 0.000 1.057 357 A HN 0.674 nan 8.150 nan 0.000 0.673 358 H N 0.094 119.160 119.070 -0.008 0.000 2.745 358 H HA 0.298 4.853 4.556 -0.001 0.000 0.373 358 H C 0.944 176.293 175.328 0.034 0.000 1.226 358 H CA 0.855 56.911 56.048 0.014 0.000 1.435 358 H CB 0.364 30.141 29.762 0.024 0.000 1.461 358 H HN 0.741 nan 8.280 nan 0.000 0.616 359 Q N -0.874 119.038 119.800 0.186 0.000 2.180 359 Q HA 0.414 4.754 4.340 -0.001 0.000 0.241 359 Q C 0.582 176.643 176.000 0.103 0.000 0.970 359 Q CA -0.292 55.585 55.803 0.123 0.000 0.919 359 Q CB 1.682 30.481 28.738 0.102 0.000 1.222 359 Q HN 0.971 nan 8.270 nan 0.000 0.482 360 G N -0.496 108.347 108.800 0.072 0.000 2.159 360 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.170 360 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.170 360 G C 0.221 175.097 174.900 -0.040 0.000 1.007 360 G CA -0.371 44.750 45.100 0.035 0.000 0.672 360 G HN 0.608 nan 8.290 nan 0.000 0.507 361 C N 0.266 119.546 119.300 -0.033 0.000 2.827 361 C HA 0.558 5.018 4.460 -0.001 0.000 0.287 361 C C 1.610 176.423 174.990 -0.294 0.000 1.497 361 C CA -0.346 58.615 59.018 -0.095 0.000 2.161 361 C CB -0.327 27.388 27.740 -0.042 0.000 2.120 361 C HN 0.493 nan 8.230 nan 0.000 0.676 362 L N 2.148 123.220 121.223 -0.252 0.000 2.380 362 L HA 0.260 4.599 4.340 -0.001 0.000 0.273 362 L C -2.116 174.720 176.870 -0.057 0.000 1.138 362 L CA -1.238 53.395 54.840 -0.344 0.000 0.832 362 L CB 0.027 41.986 42.059 -0.166 0.000 1.124 362 L HN 0.391 nan 8.230 nan 0.000 0.454 363 P HA 0.038 nan 4.420 nan 0.000 0.265 363 P C -2.062 175.338 177.300 0.166 0.000 1.193 363 P CA -0.902 62.285 63.100 0.146 0.000 0.765 363 P CB 0.209 32.028 31.700 0.198 0.000 0.823 364 P HA -0.140 nan 4.420 nan 0.000 0.215 364 P C 0.257 177.538 177.300 -0.032 0.000 1.157 364 P CA 1.161 64.324 63.100 0.106 0.000 0.868 364 P CB -0.046 31.590 31.700 -0.106 0.000 0.788 365 F N 0.112 119.867 119.950 -0.326 0.000 2.420 365 F HA 0.245 4.772 4.527 -0.001 0.000 0.352 365 F C -1.628 174.125 175.800 -0.078 0.000 1.108 365 F CA -2.863 54.894 58.000 -0.405 0.000 1.162 365 F CB 0.787 39.478 39.000 -0.514 0.000 1.118 365 F HN -0.091 nan 8.300 nan 0.000 0.510 366 P HA -0.158 nan 4.420 nan 0.000 0.218 366 P C 1.024 178.292 177.300 -0.054 0.000 1.148 366 P CA 1.922 64.917 63.100 -0.174 0.000 0.822 366 P CB 0.062 31.653 31.700 -0.182 0.000 0.784 367 A N -1.142 121.488 122.820 -0.318 0.000 2.119 367 A HA -0.057 4.262 4.320 -0.001 0.000 0.217 367 A C 0.758 178.448 177.584 0.176 0.000 1.153 367 A CA 0.770 52.797 52.037 -0.017 0.000 0.692 367 A CB -1.010 18.039 19.000 0.081 0.000 0.799 367 A HN 0.111 nan 8.150 nan 0.000 0.458 368 D N -0.417 120.135 120.400 0.254 0.000 2.345 368 D HA 0.416 5.056 4.640 -0.001 0.000 0.247 368 D C -0.207 176.249 176.300 0.260 0.000 1.108 368 D CA 0.165 54.322 54.000 0.262 0.000 0.894 368 D CB 1.394 42.364 40.800 0.283 0.000 1.203 368 D HN -0.015 nan 8.370 nan 0.000 0.430 369 V N 2.508 122.554 119.914 0.220 0.000 2.612 369 V HA 0.561 4.680 4.120 -0.001 0.000 0.301 369 V C -0.131 176.126 176.094 0.271 0.000 1.046 369 V CA -0.745 61.680 62.300 0.208 0.000 0.946 369 V CB 0.958 32.830 31.823 0.082 0.000 1.003 369 V HN 0.446 nan 8.190 nan 0.000 0.459 370 F N 1.925 121.960 119.950 0.142 0.000 2.593 370 F HA 0.787 5.314 4.527 -0.001 0.000 0.320 370 F C -0.529 175.350 175.800 0.132 0.000 1.060 370 F CA -1.331 56.749 58.000 0.133 0.000 0.940 370 F CB 1.989 41.078 39.000 0.149 0.000 1.268 370 F HN 0.475 nan 8.300 nan 0.000 0.475 371 M N 3.550 123.247 119.600 0.163 0.000 2.209 371 M HA 0.507 4.987 4.480 -0.001 0.000 0.355 371 M C -1.338 175.045 176.300 0.139 0.000 1.171 371 M CA -0.850 54.482 55.300 0.054 0.000 1.069 371 M CB 1.459 34.103 32.600 0.074 0.000 1.622 371 M HN 0.620 nan 8.290 nan 0.000 0.459 372 V N 8.277 128.191 119.914 0.001 0.000 2.439 372 V HA 0.193 4.312 4.120 -0.001 0.000 0.271 372 V C -1.996 174.026 176.094 -0.121 0.000 1.040 372 V CA -1.159 61.084 62.300 -0.095 0.000 1.002 372 V CB 0.152 31.767 31.823 -0.347 0.000 1.000 372 V HN 0.762 nan 8.190 nan 0.000 0.477 373 P HA 0.066 nan 4.420 nan 0.000 0.271 373 P C -0.567 176.335 177.300 -0.662 0.000 1.238 373 P CA -0.163 62.652 63.100 -0.476 0.000 0.794 373 P CB 0.482 31.713 31.700 -0.782 0.000 0.959 374 Q N 0.228 119.644 119.800 -0.639 0.000 2.266 374 Q HA 0.286 4.626 4.340 -0.001 0.000 0.261 374 Q C -1.408 174.597 176.000 0.008 0.000 0.985 374 Q CA -0.828 54.551 55.803 -0.707 0.000 0.873 374 Q CB 0.681 28.702 28.738 -1.195 0.000 1.306 374 Q HN 0.361 nan 8.270 nan 0.000 0.447 375 Y N 1.362 121.672 120.300 0.017 0.000 2.336 375 Y HA 0.554 5.103 4.550 -0.001 0.000 0.335 375 Y C -0.292 175.650 175.900 0.069 0.000 1.046 375 Y CA 0.251 58.403 58.100 0.086 0.000 1.198 375 Y CB 1.151 39.663 38.460 0.087 0.000 1.182 375 Y HN 0.625 nan 8.280 nan 0.000 0.502 376 G N 5.810 114.310 108.800 -0.501 0.000 2.731 376 G HA2 0.492 4.451 3.960 -0.001 0.000 0.298 376 G HA3 0.492 4.451 3.960 -0.001 0.000 0.298 376 G C -2.243 172.405 174.900 -0.420 0.000 1.424 376 G CA -0.802 44.091 45.100 -0.345 0.000 1.029 376 G HN 0.741 nan 8.290 nan 0.000 0.518 377 Y N -0.111 120.005 120.300 -0.306 0.000 2.605 377 Y HA 0.839 5.388 4.550 -0.001 0.000 0.343 377 Y C -0.927 174.999 175.900 0.043 0.000 1.036 377 Y CA -1.636 56.363 58.100 -0.169 0.000 1.065 377 Y CB 1.591 39.993 38.460 -0.097 0.000 1.288 377 Y HN 0.459 nan 8.280 nan 0.000 0.481 378 L N 1.394 122.735 121.223 0.197 0.000 2.304 378 L HA 0.838 5.178 4.340 -0.001 0.000 0.268 378 L C -0.442 176.622 176.870 0.323 0.000 1.010 378 L CA -0.744 54.208 54.840 0.186 0.000 0.813 378 L CB 2.482 44.644 42.059 0.172 0.000 1.315 378 L HN 0.938 nan 8.230 nan 0.000 0.445 379 T N 0.005 114.743 114.554 0.307 0.000 2.812 379 T HA 0.356 4.706 4.350 -0.001 0.000 0.294 379 T C -1.044 173.823 174.700 0.277 0.000 1.159 379 T CA -0.715 61.590 62.100 0.341 0.000 1.008 379 T CB 1.601 70.723 68.868 0.422 0.000 1.289 379 T HN 0.222 nan 8.240 nan 0.000 0.514 380 L N 3.324 124.684 121.223 0.229 0.000 2.540 380 L HA 0.353 4.693 4.340 -0.001 0.000 0.276 380 L C -0.088 176.865 176.870 0.138 0.000 1.212 380 L CA 0.388 55.326 54.840 0.163 0.000 0.893 380 L CB -0.691 41.442 42.059 0.125 0.000 1.138 380 L HN 0.900 nan 8.230 nan 0.000 0.491 381 N N 1.696 120.459 118.700 0.105 0.000 2.329 381 N HA 0.336 5.076 4.740 -0.001 0.000 0.282 381 N C -1.273 174.240 175.510 0.005 0.000 1.198 381 N CA -0.803 52.273 53.050 0.043 0.000 0.790 381 N CB 0.952 39.509 38.487 0.117 0.000 1.579 381 N HN 0.422 nan 8.380 nan 0.000 0.475 382 N N 0.832 119.493 118.700 -0.065 0.000 3.044 382 N HA 0.392 5.132 4.740 -0.001 0.000 0.254 382 N C 0.554 175.985 175.510 -0.132 0.000 1.253 382 N CA 0.875 53.882 53.050 -0.072 0.000 0.944 382 N CB -0.226 38.214 38.487 -0.079 0.000 1.217 382 N HN 1.025 nan 8.380 nan 0.000 0.498 383 G N 1.834 110.548 108.800 -0.144 0.000 2.527 383 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.262 383 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.262 383 G C 0.828 175.508 174.900 -0.367 0.000 1.153 383 G CA 0.498 45.360 45.100 -0.397 0.000 0.954 383 G HN 0.719 nan 8.290 nan 0.000 0.552 384 S N 0.388 115.838 115.700 -0.418 0.000 2.496 384 S HA 0.287 4.757 4.470 -0.001 0.000 0.224 384 S C 1.107 175.630 174.600 -0.129 0.000 0.996 384 S CA 1.461 59.583 58.200 -0.130 0.000 0.927 384 S CB 0.163 63.329 63.200 -0.056 0.000 0.774 384 S HN 0.769 nan 8.310 nan 0.000 0.524 385 Q N 0.492 120.170 119.800 -0.202 0.000 2.185 385 Q HA 0.749 5.088 4.340 -0.001 0.000 0.225 385 Q C -0.461 175.292 176.000 -0.411 0.000 0.983 385 Q CA -0.512 55.117 55.803 -0.291 0.000 0.950 385 Q CB 1.324 29.930 28.738 -0.220 0.000 1.176 385 Q HN 0.473 nan 8.270 nan 0.000 0.510 386 A N 0.306 122.766 122.820 -0.599 0.000 2.350 386 A HA 0.694 5.013 4.320 -0.001 0.000 0.318 386 A C -0.788 176.626 177.584 -0.283 0.000 1.132 386 A CA -0.619 51.077 52.037 -0.567 0.000 0.811 386 A CB 1.072 19.415 19.000 -1.096 0.000 1.313 386 A HN 0.443 nan 8.150 nan 0.000 0.454 387 V N 0.067 119.888 119.914 -0.154 0.000 3.109 387 V HA 0.494 4.614 4.120 -0.001 0.000 0.317 387 V C 1.752 177.813 176.094 -0.055 0.000 1.074 387 V CA 0.299 62.551 62.300 -0.080 0.000 1.033 387 V CB 1.314 33.120 31.823 -0.028 0.000 1.111 387 V HN 1.163 nan 8.190 nan 0.000 0.458 388 G N 0.319 109.100 108.800 -0.033 0.000 2.471 388 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.219 388 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.219 388 G C 1.262 176.169 174.900 0.011 0.000 1.125 388 G CA 0.163 45.254 45.100 -0.014 0.000 0.775 388 G HN 0.653 nan 8.290 nan 0.000 0.548 389 R N 0.514 121.026 120.500 0.020 0.000 2.310 389 R HA 0.187 4.527 4.340 -0.001 0.000 0.202 389 R C 0.596 176.936 176.300 0.066 0.000 0.933 389 R CA -0.177 55.947 56.100 0.041 0.000 1.054 389 R CB 0.162 30.488 30.300 0.044 0.000 0.985 389 R HN 0.182 nan 8.270 nan 0.000 0.489 390 S N 0.389 116.133 115.700 0.074 0.000 2.589 390 S HA 0.149 4.618 4.470 -0.001 0.000 0.265 390 S C 0.174 174.846 174.600 0.119 0.000 1.342 390 S CA -0.042 58.239 58.200 0.134 0.000 1.005 390 S CB 1.288 64.593 63.200 0.175 0.000 0.909 390 S HN 0.048 nan 8.310 nan 0.000 0.555 391 S N 1.200 116.978 115.700 0.129 0.000 2.532 391 S HA 0.538 5.008 4.470 -0.001 0.000 0.299 391 S C -1.181 173.322 174.600 -0.163 0.000 1.105 391 S CA -0.575 57.566 58.200 -0.099 0.000 1.018 391 S CB 0.872 63.933 63.200 -0.232 0.000 1.021 391 S HN 0.526 nan 8.310 nan 0.000 0.483 392 F N 3.882 123.568 119.950 -0.440 0.000 2.427 392 F HA 0.620 5.146 4.527 -0.001 0.000 0.346 392 F C -1.536 173.941 175.800 -0.538 0.000 1.120 392 F CA -1.250 56.464 58.000 -0.477 0.000 1.033 392 F CB 0.449 39.190 39.000 -0.432 0.000 1.126 392 F HN 0.548 nan 8.300 nan 0.000 0.462 393 Y N 5.225 125.188 120.300 -0.562 0.000 2.341 393 Y HA 0.457 5.007 4.550 -0.001 0.000 0.338 393 Y C -0.282 175.143 175.900 -0.791 0.000 0.965 393 Y CA -0.953 56.798 58.100 -0.581 0.000 1.108 393 Y CB 1.671 39.875 38.460 -0.427 0.000 1.180 393 Y HN 0.721 nan 8.280 nan 0.000 0.458 394 C N 5.954 124.952 119.300 -0.503 0.000 2.281 394 C HA 0.406 4.866 4.460 -0.001 0.000 0.323 394 C C 0.822 175.822 174.990 0.017 0.000 1.270 394 C CA -0.730 58.004 59.018 -0.472 0.000 1.559 394 C CB -0.967 26.472 27.740 -0.501 0.000 2.239 394 C HN 0.976 nan 8.230 nan 0.000 0.488 395 L N 4.389 125.690 121.223 0.129 0.000 2.610 395 L HA 0.098 4.437 4.340 -0.001 0.000 0.232 395 L C 2.230 179.137 176.870 0.062 0.000 1.149 395 L CA 1.298 56.097 54.840 -0.068 0.000 0.872 395 L CB -0.467 41.179 42.059 -0.689 0.000 0.992 395 L HN 0.688 nan 8.230 nan 0.000 0.447 396 E N -1.640 118.750 120.200 0.317 0.000 2.371 396 E HA -0.134 4.216 4.350 -0.001 0.000 0.194 396 E C 1.347 178.042 176.600 0.159 0.000 1.012 396 E CA 0.518 57.109 56.400 0.319 0.000 0.860 396 E CB -0.089 29.828 29.700 0.362 0.000 0.811 396 E HN 0.548 nan 8.360 nan 0.000 0.502 397 Y N -0.075 120.217 120.300 -0.014 0.000 2.477 397 Y HA 0.079 4.629 4.550 -0.001 0.000 0.303 397 Y C -0.298 175.390 175.900 -0.353 0.000 1.202 397 Y CA -0.137 57.869 58.100 -0.157 0.000 1.282 397 Y CB -0.032 38.308 38.460 -0.199 0.000 1.071 397 Y HN -0.229 nan 8.280 nan 0.000 0.510 398 F N 1.337 121.032 119.950 -0.425 0.000 2.436 398 F HA 0.413 4.940 4.527 -0.001 0.000 0.340 398 F C -2.057 173.376 175.800 -0.612 0.000 1.113 398 F CA -3.117 54.474 58.000 -0.682 0.000 1.022 398 F CB 0.752 38.956 39.000 -1.326 0.000 1.128 398 F HN -0.070 nan 8.300 nan 0.000 0.466 399 P HA 0.123 nan 4.420 nan 0.000 0.262 399 P C -0.974 176.249 177.300 -0.128 0.000 1.199 399 P CA -0.002 62.989 63.100 -0.182 0.000 0.763 399 P CB 0.537 32.157 31.700 -0.134 0.000 0.790 400 S N 1.835 117.524 115.700 -0.019 0.000 2.548 400 S HA 0.397 4.867 4.470 -0.001 0.000 0.286 400 S C -0.812 173.885 174.600 0.162 0.000 1.098 400 S CA -0.992 57.290 58.200 0.137 0.000 0.930 400 S CB 1.682 65.047 63.200 0.274 0.000 1.070 400 S HN 0.431 nan 8.310 nan 0.000 0.480 401 Q N 1.963 121.889 119.800 0.210 0.000 2.279 401 Q HA 0.413 4.753 4.340 -0.001 0.000 0.256 401 Q C -1.004 175.099 176.000 0.172 0.000 0.937 401 Q CA -0.268 55.654 55.803 0.197 0.000 0.933 401 Q CB 0.582 29.492 28.738 0.286 0.000 1.189 401 Q HN 0.747 nan 8.270 nan 0.000 0.417 402 M N 4.302 123.981 119.600 0.133 0.000 2.209 402 M HA 0.339 4.819 4.480 -0.001 0.000 0.355 402 M C -1.181 175.184 176.300 0.108 0.000 1.171 402 M CA -0.677 54.687 55.300 0.107 0.000 1.069 402 M CB 0.982 33.628 32.600 0.076 0.000 1.622 402 M HN 0.445 nan 8.290 nan 0.000 0.459 403 L N 2.652 123.938 121.223 0.106 0.000 2.362 403 L HA 0.604 4.944 4.340 -0.001 0.000 0.275 403 L C -0.177 176.747 176.870 0.090 0.000 0.998 403 L CA -0.356 54.553 54.840 0.115 0.000 0.820 403 L CB 1.763 43.914 42.059 0.154 0.000 1.270 403 L HN 0.596 nan 8.230 nan 0.000 0.415 404 R N -0.099 120.448 120.500 0.079 0.000 2.606 404 R HA 0.650 4.990 4.340 -0.001 0.000 0.249 404 R C -0.524 175.817 176.300 0.069 0.000 1.127 404 R CA -0.538 55.598 56.100 0.060 0.000 1.133 404 R CB 1.018 31.345 30.300 0.046 0.000 1.243 404 R HN 0.639 nan 8.270 nan 0.000 0.558 405 T N 0.814 115.398 114.554 0.050 0.000 2.784 405 T HA 0.336 4.685 4.350 -0.001 0.000 0.291 405 T C 0.785 175.520 174.700 0.058 0.000 0.942 405 T CA 0.951 63.082 62.100 0.051 0.000 1.161 405 T CB 0.520 69.403 68.868 0.026 0.000 0.885 405 T HN 0.784 nan 8.240 nan 0.000 0.534 406 G N 3.554 112.401 108.800 0.079 0.000 2.211 406 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.201 406 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.201 406 G C 0.017 174.974 174.900 0.094 0.000 0.997 406 G CA -0.794 44.353 45.100 0.079 0.000 0.652 406 G HN 0.600 nan 8.290 nan 0.000 0.500 407 N N 1.652 120.418 118.700 0.109 0.000 2.508 407 N HA 0.599 5.338 4.740 -0.001 0.000 0.285 407 N C -0.136 175.479 175.510 0.175 0.000 1.144 407 N CA -0.124 53.003 53.050 0.127 0.000 0.978 407 N CB 1.163 39.725 38.487 0.125 0.000 1.180 407 N HN 0.682 nan 8.380 nan 0.000 0.484 408 N N -0.344 118.468 118.700 0.186 0.000 2.455 408 N HA 0.439 5.179 4.740 -0.001 0.000 0.278 408 N C -1.759 173.922 175.510 0.285 0.000 1.291 408 N CA -0.583 52.614 53.050 0.245 0.000 0.780 408 N CB 1.328 39.942 38.487 0.211 0.000 1.520 408 N HN 0.359 nan 8.380 nan 0.000 0.486 409 F N -0.013 120.031 119.950 0.156 0.000 2.520 409 F HA 0.532 5.058 4.527 -0.000 0.000 0.322 409 F C -0.691 175.209 175.800 0.168 0.000 1.103 409 F CA -0.454 57.640 58.000 0.157 0.000 0.926 409 F CB 2.031 41.137 39.000 0.176 0.000 1.154 409 F HN 0.569 nan 8.300 nan 0.000 0.453 410 Q N 5.113 124.544 119.800 -0.614 0.000 2.375 410 Q HA 0.612 4.952 4.340 -0.001 0.000 0.271 410 Q C -2.097 173.674 176.000 -0.381 0.000 1.074 410 Q CA -0.609 54.993 55.803 -0.335 0.000 0.808 410 Q CB 2.164 30.786 28.738 -0.194 0.000 1.327 410 Q HN 0.679 nan 8.270 nan 0.000 0.441 411 F N 1.053 120.872 119.950 -0.219 0.000 2.622 411 F HA 0.599 5.125 4.527 -0.001 0.000 0.318 411 F C -1.526 174.264 175.800 -0.016 0.000 1.135 411 F CA -0.251 57.679 58.000 -0.116 0.000 1.015 411 F CB 1.681 40.684 39.000 0.006 0.000 1.275 411 F HN 0.484 nan 8.300 nan 0.000 0.457 412 S N 5.180 120.372 115.700 -0.846 0.000 2.500 412 S HA 0.560 5.030 4.470 -0.001 0.000 0.301 412 S C -1.891 172.188 174.600 -0.868 0.000 1.092 412 S CA -0.554 57.245 58.200 -0.669 0.000 1.030 412 S CB 1.664 64.641 63.200 -0.372 0.000 1.031 412 S HN 0.622 nan 8.310 nan 0.000 0.483 413 Y N 1.355 121.227 120.300 -0.714 0.000 2.545 413 Y HA 0.638 5.188 4.550 -0.001 0.000 0.348 413 Y C -0.957 174.675 175.900 -0.447 0.000 1.002 413 Y CA -0.470 57.276 58.100 -0.589 0.000 1.039 413 Y CB 1.801 39.956 38.460 -0.507 0.000 1.271 413 Y HN 0.522 nan 8.280 nan 0.000 0.467 414 T N 6.317 120.095 114.554 -1.292 0.000 2.864 414 T HA 0.380 4.729 4.350 -0.001 0.000 0.299 414 T C -0.875 173.110 174.700 -1.191 0.000 1.011 414 T CA -0.431 61.097 62.100 -0.952 0.000 0.975 414 T CB -0.090 68.469 68.868 -0.516 0.000 0.962 414 T HN 0.453 nan 8.240 nan 0.000 0.448 415 F N 2.972 122.468 119.950 -0.756 0.000 2.595 415 F HA 0.136 4.663 4.527 -0.001 0.000 0.359 415 F C 1.627 177.238 175.800 -0.315 0.000 1.147 415 F CA -0.196 57.546 58.000 -0.429 0.000 1.341 415 F CB 0.602 39.435 39.000 -0.278 0.000 1.104 415 F HN 0.563 nan 8.300 nan 0.000 0.603 416 E N 0.652 120.862 120.200 0.017 0.000 2.622 416 E HA 0.176 4.525 4.350 -0.001 0.000 0.255 416 E C -1.186 175.395 176.600 -0.031 0.000 1.313 416 E CA -0.980 55.409 56.400 -0.017 0.000 1.011 416 E CB 0.346 30.067 29.700 0.035 0.000 1.173 416 E HN 0.356 nan 8.360 nan 0.000 0.601 417 D N 0.474 120.852 120.400 -0.038 0.000 2.358 417 D HA 0.226 4.866 4.640 -0.001 0.000 0.258 417 D C -1.138 175.133 176.300 -0.049 0.000 1.223 417 D CA 0.122 54.089 54.000 -0.055 0.000 0.886 417 D CB 1.196 41.977 40.800 -0.032 0.000 1.120 417 D HN 0.230 nan 8.370 nan 0.000 0.482 418 V N 4.567 124.421 119.914 -0.099 0.000 2.668 418 V HA 0.396 4.516 4.120 -0.001 0.000 0.304 418 V C -2.560 173.499 176.094 -0.058 0.000 1.071 418 V CA -2.217 60.053 62.300 -0.050 0.000 0.894 418 V CB 2.153 33.959 31.823 -0.028 0.000 1.008 418 V HN 0.342 nan 8.190 nan 0.000 0.425 419 P HA 0.076 nan 4.420 nan 0.000 0.263 419 P C -0.436 176.996 177.300 0.220 0.000 1.175 419 P CA 0.398 63.581 63.100 0.138 0.000 0.761 419 P CB 0.008 31.791 31.700 0.139 0.000 0.794 420 F N 1.343 121.386 119.950 0.154 0.000 2.628 420 F HA -0.016 4.511 4.527 -0.001 0.000 0.362 420 F C 1.751 177.666 175.800 0.191 0.000 1.148 420 F CA 0.654 58.765 58.000 0.184 0.000 1.352 420 F CB -0.092 38.991 39.000 0.139 0.000 1.081 420 F HN 0.430 nan 8.300 nan 0.000 0.605 421 H N 0.649 119.824 119.070 0.176 0.000 2.607 421 H HA 0.259 4.814 4.556 -0.001 0.000 0.367 421 H C -0.381 174.952 175.328 0.008 0.000 1.181 421 H CA -0.555 55.442 56.048 -0.086 0.000 1.402 421 H CB 0.760 30.229 29.762 -0.488 0.000 1.474 421 H HN 0.449 nan 8.280 nan 0.000 0.596 422 S N 2.756 117.844 115.700 -1.020 0.000 2.681 422 S HA 0.065 4.535 4.470 -0.001 0.000 0.313 422 S C 0.199 174.381 174.600 -0.697 0.000 1.137 422 S CA -0.367 57.348 58.200 -0.808 0.000 1.045 422 S CB 0.053 62.633 63.200 -1.034 0.000 1.208 422 S HN 0.596 nan 8.310 nan 0.000 0.523 423 S N 2.737 118.374 115.700 -0.105 0.000 2.763 423 S HA 0.202 4.672 4.470 -0.001 0.000 0.237 423 S C -0.067 174.591 174.600 0.097 0.000 0.966 423 S CA -0.445 57.812 58.200 0.094 0.000 1.017 423 S CB -0.591 62.786 63.200 0.294 0.000 0.780 423 S HN 0.803 nan 8.310 nan 0.000 0.476 424 Y N -1.585 118.596 120.300 -0.198 0.000 2.638 424 Y HA 0.886 5.435 4.550 -0.001 0.000 0.339 424 Y C -0.769 174.915 175.900 -0.361 0.000 1.084 424 Y CA -1.944 55.966 58.100 -0.317 0.000 1.068 424 Y CB 0.779 38.835 38.460 -0.674 0.000 1.294 424 Y HN -0.066 nan 8.280 nan 0.000 0.480 425 A N 1.251 123.938 122.820 -0.223 0.000 2.422 425 A HA 0.523 4.843 4.320 -0.001 0.000 0.302 425 A C -1.542 175.928 177.584 -0.190 0.000 1.041 425 A CA -0.909 50.957 52.037 -0.284 0.000 0.708 425 A CB 0.706 19.616 19.000 -0.149 0.000 1.257 425 A HN 0.862 nan 8.150 nan 0.000 0.414 426 H N 1.987 121.054 119.070 -0.005 0.000 2.803 426 H HA 0.127 4.682 4.556 -0.001 0.000 0.330 426 H C 1.251 176.574 175.328 -0.008 0.000 1.057 426 H CA 0.923 56.971 56.048 0.001 0.000 1.458 426 H CB 1.183 30.939 29.762 -0.009 0.000 1.470 426 H HN 0.776 nan 8.280 nan 0.000 0.560 427 S N 2.030 117.792 115.700 0.103 0.000 2.528 427 S HA 0.027 4.497 4.470 -0.001 0.000 0.219 427 S C 0.676 175.313 174.600 0.062 0.000 0.985 427 S CA -0.093 58.148 58.200 0.069 0.000 0.914 427 S CB 0.559 63.795 63.200 0.060 0.000 0.776 427 S HN 0.571 nan 8.310 nan 0.000 0.526 428 Q N 0.657 120.497 119.800 0.068 0.000 2.252 428 Q HA 0.657 4.996 4.340 -0.001 0.000 0.256 428 Q C -0.857 175.151 176.000 0.014 0.000 1.020 428 Q CA -0.629 55.193 55.803 0.031 0.000 0.913 428 Q CB 1.856 30.601 28.738 0.011 0.000 1.286 428 Q HN 0.304 nan 8.270 nan 0.000 0.480 429 S N -0.465 115.231 115.700 -0.007 0.000 2.638 429 S HA 0.381 4.850 4.470 -0.001 0.000 0.302 429 S C 0.713 175.294 174.600 -0.032 0.000 1.096 429 S CA -0.610 57.578 58.200 -0.021 0.000 0.953 429 S CB 0.894 64.089 63.200 -0.009 0.000 1.107 429 S HN 0.695 nan 8.310 nan 0.000 0.503 430 L N 1.449 122.651 121.223 -0.034 0.000 2.017 430 L HA -0.076 4.264 4.340 -0.001 0.000 0.208 430 L C 2.015 178.897 176.870 0.020 0.000 1.073 430 L CA 1.884 56.721 54.840 -0.007 0.000 0.745 430 L CB -0.341 41.723 42.059 0.007 0.000 0.894 430 L HN 0.826 nan 8.230 nan 0.000 0.432 431 D N -1.172 119.228 120.400 -0.000 0.000 2.289 431 D HA -0.122 4.517 4.640 -0.001 0.000 0.207 431 D C 0.948 177.240 176.300 -0.012 0.000 0.966 431 D CA 0.381 54.375 54.000 -0.009 0.000 0.868 431 D CB -0.065 40.719 40.800 -0.027 0.000 0.943 431 D HN 0.166 nan 8.370 nan 0.000 0.514 432 R N 0.980 121.475 120.500 -0.009 0.000 3.863 432 R HA 0.229 4.569 4.340 -0.001 0.000 0.304 432 R C 0.729 177.029 176.300 -0.001 0.000 1.485 432 R CA -0.258 55.837 56.100 -0.008 0.000 1.355 432 R CB 0.341 30.638 30.300 -0.006 0.000 1.457 432 R HN 0.215 nan 8.270 nan 0.000 0.669 433 L N 0.411 121.637 121.223 0.006 0.000 2.575 433 L HA 0.197 4.537 4.340 -0.001 0.000 0.228 433 L C 0.441 177.319 176.870 0.015 0.000 1.075 433 L CA 0.762 55.612 54.840 0.016 0.000 0.867 433 L CB 0.156 42.241 42.059 0.044 0.000 1.097 433 L HN 0.158 nan 8.230 nan 0.000 0.485 434 M N -0.716 118.885 119.600 0.002 0.000 1.801 434 M HA 0.215 4.695 4.480 -0.001 0.000 0.198 434 M C 0.444 176.738 176.300 -0.010 0.000 1.248 434 M CA -0.054 55.240 55.300 -0.009 0.000 0.893 434 M CB -0.817 31.764 32.600 -0.032 0.000 1.199 434 M HN -0.135 nan 8.290 nan 0.000 0.482 435 N N 0.474 119.164 118.700 -0.017 0.000 2.422 435 N HA 0.348 5.087 4.740 -0.001 0.000 0.266 435 N C -2.213 173.288 175.510 -0.015 0.000 1.007 435 N CA -1.680 51.363 53.050 -0.012 0.000 0.941 435 N CB 1.056 39.537 38.487 -0.009 0.000 1.115 435 N HN 0.325 nan 8.380 nan 0.000 0.492 436 P HA -0.011 nan 4.420 nan 0.000 0.225 436 P C 0.902 178.196 177.300 -0.009 0.000 1.148 436 P CA 0.643 63.736 63.100 -0.010 0.000 0.779 436 P CB 0.553 32.249 31.700 -0.006 0.000 0.780 437 L N -2.040 119.178 121.223 -0.007 0.000 2.316 437 L HA 0.126 4.466 4.340 -0.001 0.000 0.207 437 L C 1.083 177.951 176.870 -0.004 0.000 1.070 437 L CA 0.757 55.594 54.840 -0.005 0.000 0.820 437 L CB -0.421 41.637 42.059 -0.002 0.000 0.992 437 L HN -0.139 nan 8.230 nan 0.000 0.466 438 I N -0.411 120.155 120.570 -0.007 0.000 2.577 438 I HA 0.282 4.452 4.170 -0.001 0.000 0.305 438 I C -0.512 175.593 176.117 -0.020 0.000 0.986 438 I CA -0.833 60.463 61.300 -0.006 0.000 1.189 438 I CB 1.011 39.011 38.000 0.001 0.000 1.355 438 I HN -0.019 nan 8.210 nan 0.000 0.476 439 D N 2.947 123.336 120.400 -0.019 0.000 2.253 439 D HA 0.359 4.998 4.640 -0.001 0.000 0.249 439 D C 0.060 176.320 176.300 -0.068 0.000 1.049 439 D CA -0.403 53.574 54.000 -0.039 0.000 0.929 439 D CB 0.770 41.552 40.800 -0.030 0.000 1.176 439 D HN 0.338 nan 8.370 nan 0.000 0.437 440 Q N 0.251 119.979 119.800 -0.120 0.000 2.417 440 Q HA 0.136 4.476 4.340 -0.001 0.000 0.241 440 Q C 0.175 176.066 176.000 -0.182 0.000 1.008 440 Q CA -0.235 55.433 55.803 -0.225 0.000 0.901 440 Q CB 0.635 29.224 28.738 -0.248 0.000 1.259 440 Q HN 0.676 nan 8.270 nan 0.000 0.489 441 Y N -0.845 119.421 120.300 -0.057 0.000 2.457 441 Y HA 0.367 4.917 4.550 -0.001 0.000 0.263 441 Y C -0.063 175.818 175.900 -0.031 0.000 1.164 441 Y CA -0.494 57.580 58.100 -0.044 0.000 1.274 441 Y CB 0.296 38.761 38.460 0.009 0.000 1.097 441 Y HN 0.248 nan 8.280 nan 0.000 0.523 442 L N 0.908 122.097 121.223 -0.056 0.000 2.399 442 L HA 0.370 4.710 4.340 -0.001 0.000 0.265 442 L C -1.021 175.828 176.870 -0.036 0.000 1.089 442 L CA -0.945 53.933 54.840 0.063 0.000 0.802 442 L CB 0.936 42.985 42.059 -0.017 0.000 1.180 442 L HN 0.095 nan 8.230 nan 0.000 0.454 443 Y N 0.507 120.867 120.300 0.101 0.000 2.429 443 Y HA 0.461 5.011 4.550 -0.001 0.000 0.342 443 Y C -0.412 175.594 175.900 0.177 0.000 1.004 443 Y CA -0.573 57.583 58.100 0.093 0.000 1.075 443 Y CB 1.792 40.239 38.460 -0.021 0.000 1.214 443 Y HN 0.383 nan 8.280 nan 0.000 0.455 444 Y N 0.375 120.823 120.300 0.246 0.000 2.605 444 Y HA 0.734 5.284 4.550 -0.001 0.000 0.343 444 Y C -1.702 174.401 175.900 0.339 0.000 1.036 444 Y CA -1.753 56.481 58.100 0.223 0.000 1.065 444 Y CB 1.161 39.683 38.460 0.103 0.000 1.288 444 Y HN 0.545 nan 8.280 nan 0.000 0.481 445 L N 2.889 124.319 121.223 0.346 0.000 2.276 445 L HA 0.403 4.743 4.340 -0.001 0.000 0.286 445 L C 0.008 176.930 176.870 0.086 0.000 1.061 445 L CA -0.163 54.742 54.840 0.109 0.000 0.807 445 L CB 0.879 42.976 42.059 0.063 0.000 1.177 445 L HN 1.070 nan 8.230 nan 0.000 0.429 446 N N 2.187 120.855 118.700 -0.054 0.000 2.145 446 N HA 0.173 4.913 4.740 -0.001 0.000 0.219 446 N C -0.488 175.008 175.510 -0.025 0.000 1.266 446 N CA -0.648 52.431 53.050 0.048 0.000 0.902 446 N CB 0.642 39.203 38.487 0.124 0.000 1.078 446 N HN 0.312 nan 8.380 nan 0.000 0.513 447 R N 0.966 121.399 120.500 -0.111 0.000 2.502 447 R HA 0.263 4.602 4.340 -0.001 0.000 0.300 447 R C -0.003 176.209 176.300 -0.147 0.000 0.984 447 R CA -0.311 55.725 56.100 -0.107 0.000 0.882 447 R CB 1.480 31.718 30.300 -0.103 0.000 1.180 447 R HN 0.269 nan 8.270 nan 0.000 0.444 448 T N -1.786 112.709 114.554 -0.098 0.000 3.034 448 T HA -0.044 4.305 4.350 -0.001 0.000 0.248 448 T C 1.222 175.876 174.700 -0.076 0.000 1.040 448 T CA 0.487 62.529 62.100 -0.096 0.000 1.107 448 T CB 0.405 69.237 68.868 -0.060 0.000 0.932 448 T HN 0.587 nan 8.240 nan 0.000 0.474 449 Q N 0.968 120.733 119.800 -0.059 0.000 2.534 449 Q HA 0.371 4.711 4.340 -0.001 0.000 0.207 449 Q C 1.598 177.573 176.000 -0.041 0.000 0.735 449 Q CA -0.013 55.763 55.803 -0.045 0.000 0.904 449 Q CB -0.567 28.152 28.738 -0.032 0.000 1.294 449 Q HN 0.294 nan 8.270 nan 0.000 0.553 450 G N 2.264 111.042 108.800 -0.036 0.000 2.230 450 G HA2 0.196 4.156 3.960 -0.001 0.000 0.282 450 G HA3 0.196 4.156 3.960 -0.001 0.000 0.282 450 G C -0.309 174.572 174.900 -0.032 0.000 0.999 450 G CA 0.766 45.849 45.100 -0.029 0.000 1.326 450 G HN 0.363 nan 8.290 nan 0.000 0.397 451 T N 0.952 115.489 114.554 -0.028 0.000 2.849 451 T HA 0.307 4.657 4.350 -0.001 0.000 0.272 451 T C 1.026 175.714 174.700 -0.019 0.000 1.046 451 T CA -0.524 61.559 62.100 -0.027 0.000 0.983 451 T CB 0.543 69.394 68.868 -0.027 0.000 1.721 451 T HN 0.164 nan 8.240 nan 0.000 0.594 452 T N 2.730 117.274 114.554 -0.016 0.000 4.216 452 T HA 0.106 4.456 4.350 -0.001 0.000 0.221 452 T C 0.457 175.150 174.700 -0.011 0.000 0.939 452 T CA 0.128 62.222 62.100 -0.011 0.000 1.218 452 T CB -0.788 68.075 68.868 -0.009 0.000 1.266 452 T HN 0.494 nan 8.240 nan 0.000 0.917 453 S N 1.949 117.642 115.700 -0.011 0.000 2.429 453 S HA 0.483 4.952 4.470 -0.001 0.000 0.292 453 S C 1.147 175.742 174.600 -0.008 0.000 1.183 453 S CA 0.179 58.372 58.200 -0.010 0.000 1.088 453 S CB -0.125 63.068 63.200 -0.011 0.000 1.018 453 S HN 0.843 nan 8.310 nan 0.000 0.511 454 G N 3.581 112.377 108.800 -0.008 0.000 4.170 454 G HA2 0.161 4.121 3.960 -0.001 0.000 0.143 454 G HA3 0.161 4.121 3.960 -0.001 0.000 0.143 454 G C -0.294 174.602 174.900 -0.006 0.000 1.261 454 G CA -0.220 44.876 45.100 -0.006 0.000 1.043 454 G HN 0.583 nan 8.290 nan 0.000 0.382 455 T N 2.282 116.832 114.554 -0.006 0.000 2.794 455 T HA 0.498 4.848 4.350 -0.001 0.000 0.280 455 T C 0.347 175.042 174.700 -0.007 0.000 0.987 455 T CA 0.610 62.706 62.100 -0.006 0.000 0.993 455 T CB 1.348 70.213 68.868 -0.005 0.000 0.939 455 T HN 0.607 nan 8.240 nan 0.000 0.449 456 T N 3.656 118.206 114.554 -0.007 0.000 3.760 456 T HA -0.171 4.179 4.350 -0.001 0.000 0.366 456 T C 0.147 174.842 174.700 -0.009 0.000 0.761 456 T CA 0.549 62.644 62.100 -0.007 0.000 1.887 456 T CB -1.211 67.654 68.868 -0.006 0.000 1.811 456 T HN 0.621 nan 8.240 nan 0.000 0.749 457 N N 1.619 120.312 118.700 -0.010 0.000 2.841 457 N HA 0.117 4.857 4.740 -0.001 0.000 0.257 457 N C 1.412 176.913 175.510 -0.015 0.000 1.396 457 N CA -0.503 52.539 53.050 -0.013 0.000 0.823 457 N CB 1.293 39.772 38.487 -0.014 0.000 1.162 457 N HN 0.530 nan 8.380 nan 0.000 0.503 458 Q N 0.283 120.074 119.800 -0.015 0.000 1.984 458 Q HA 0.031 4.371 4.340 -0.001 0.000 0.196 458 Q C 0.252 176.240 176.000 -0.020 0.000 0.975 458 Q CA 0.921 56.715 55.803 -0.015 0.000 0.827 458 Q CB -0.197 28.533 28.738 -0.013 0.000 0.894 458 Q HN 0.320 nan 8.270 nan 0.000 0.438 459 S N -0.843 114.843 115.700 -0.023 0.000 2.550 459 S HA 0.761 5.230 4.470 -0.001 0.000 0.270 459 S C -1.032 173.546 174.600 -0.037 0.000 1.145 459 S CA -1.039 57.142 58.200 -0.031 0.000 0.852 459 S CB 3.070 66.253 63.200 -0.029 0.000 1.119 459 S HN 0.449 nan 8.310 nan 0.000 0.465 460 R N 1.067 121.534 120.500 -0.054 0.000 2.579 460 R HA 0.394 4.733 4.340 -0.001 0.000 0.260 460 R C -1.965 174.266 176.300 -0.115 0.000 1.103 460 R CA -0.750 55.310 56.100 -0.066 0.000 0.942 460 R CB 1.054 31.322 30.300 -0.055 0.000 1.251 460 R HN 0.806 nan 8.270 nan 0.000 0.450 461 L N 5.686 126.827 121.223 -0.137 0.000 2.325 461 L HA 0.392 4.732 4.340 -0.001 0.000 0.284 461 L C -0.467 176.142 176.870 -0.434 0.000 1.089 461 L CA -0.223 54.447 54.840 -0.284 0.000 0.836 461 L CB 0.588 42.525 42.059 -0.203 0.000 1.184 461 L HN 0.376 nan 8.230 nan 0.000 0.444 462 L N 4.127 125.013 121.223 -0.560 0.000 2.385 462 L HA 0.573 4.913 4.340 -0.001 0.000 0.273 462 L C -0.828 175.668 176.870 -0.624 0.000 0.990 462 L CA -0.421 54.145 54.840 -0.457 0.000 0.821 462 L CB 1.917 43.851 42.059 -0.207 0.000 1.279 462 L HN 0.336 nan 8.230 nan 0.000 0.412 463 F N 0.276 120.182 119.950 -0.073 0.000 2.522 463 F HA 0.582 5.109 4.527 -0.001 0.000 0.324 463 F C 0.381 176.124 175.800 -0.095 0.000 1.077 463 F CA -0.585 57.355 58.000 -0.101 0.000 0.944 463 F CB 2.197 41.165 39.000 -0.054 0.000 1.175 463 F HN 0.261 nan 8.300 nan 0.000 0.468 464 S N 0.664 116.270 115.700 -0.156 0.000 2.536 464 S HA 0.321 4.791 4.470 -0.001 0.000 0.298 464 S C -1.025 173.384 174.600 -0.318 0.000 1.083 464 S CA -0.868 57.195 58.200 -0.230 0.000 0.995 464 S CB 1.823 64.789 63.200 -0.390 0.000 1.058 464 S HN 0.638 nan 8.310 nan 0.000 0.488 465 Q N 2.117 121.751 119.800 -0.276 0.000 2.288 465 Q HA 0.543 4.883 4.340 -0.001 0.000 0.258 465 Q C -0.226 175.713 176.000 -0.100 0.000 0.957 465 Q CA -0.711 54.719 55.803 -0.622 0.000 0.919 465 Q CB 0.774 29.081 28.738 -0.720 0.000 1.185 465 Q HN 0.782 nan 8.270 nan 0.000 0.408 466 A N 3.398 126.256 122.820 0.063 0.000 2.565 466 A HA 0.459 4.779 4.320 -0.001 0.000 0.237 466 A C 0.330 177.915 177.584 0.002 0.000 1.053 466 A CA 0.776 52.894 52.037 0.134 0.000 0.755 466 A CB 0.091 19.085 19.000 -0.010 0.000 0.980 466 A HN 0.887 nan 8.150 nan 0.000 0.506 467 G N 1.088 109.899 108.800 0.017 0.000 2.818 467 G HA2 0.597 4.557 3.960 -0.001 0.000 0.286 467 G HA3 0.597 4.557 3.960 -0.001 0.000 0.286 467 G C -2.404 172.485 174.900 -0.018 0.000 1.364 467 G CA -1.026 44.069 45.100 -0.007 0.000 0.938 467 G HN 0.302 nan 8.290 nan 0.000 0.490 468 P HA -0.053 nan 4.420 nan 0.000 0.222 468 P C 1.513 178.805 177.300 -0.014 0.000 1.147 468 P CA 1.064 64.153 63.100 -0.018 0.000 0.790 468 P CB 0.308 32.001 31.700 -0.012 0.000 0.780 469 Q N -0.334 119.464 119.800 -0.003 0.000 2.096 469 Q HA -0.017 4.323 4.340 -0.001 0.000 0.197 469 Q C 1.082 177.083 176.000 0.002 0.000 0.964 469 Q CA 1.326 57.131 55.803 0.005 0.000 0.838 469 Q CB -0.471 28.277 28.738 0.016 0.000 0.906 469 Q HN 0.285 nan 8.270 nan 0.000 0.444 470 S N -0.023 115.680 115.700 0.005 0.000 3.983 470 S HA 0.218 4.687 4.470 -0.001 0.000 0.194 470 S C 0.839 175.386 174.600 -0.088 0.000 1.464 470 S CA -0.313 57.873 58.200 -0.023 0.000 1.021 470 S CB 0.147 63.366 63.200 0.032 0.000 1.424 470 S HN 0.221 nan 8.310 nan 0.000 0.473 471 M N 2.340 121.901 119.600 -0.065 0.000 2.156 471 M HA -0.060 4.419 4.480 -0.001 0.000 0.264 471 M C 1.819 178.063 176.300 -0.093 0.000 1.067 471 M CA 1.566 56.824 55.300 -0.071 0.000 1.131 471 M CB -0.062 32.511 32.600 -0.044 0.000 1.368 471 M HN 0.676 nan 8.290 nan 0.000 0.416 472 S N -0.734 114.910 115.700 -0.093 0.000 2.679 472 S HA 0.210 4.679 4.470 -0.001 0.000 0.233 472 S C 0.887 175.400 174.600 -0.146 0.000 0.951 472 S CA -0.296 57.845 58.200 -0.099 0.000 0.973 472 S CB -0.386 62.772 63.200 -0.071 0.000 0.778 472 S HN 0.567 nan 8.310 nan 0.000 0.477 473 L N -0.491 120.597 121.223 -0.226 0.000 2.993 473 L HA 0.310 4.649 4.340 -0.001 0.000 0.264 473 L C 0.653 177.222 176.870 -0.502 0.000 1.154 473 L CA -0.234 54.370 54.840 -0.393 0.000 0.972 473 L CB 0.173 41.901 42.059 -0.552 0.000 1.373 473 L HN 0.254 nan 8.230 nan 0.000 0.564 474 Q N 1.195 120.794 119.800 -0.335 0.000 2.432 474 Q HA 0.336 4.675 4.340 -0.001 0.000 0.264 474 Q C 0.508 176.392 176.000 -0.193 0.000 1.035 474 Q CA -0.098 55.548 55.803 -0.262 0.000 0.908 474 Q CB 0.969 29.606 28.738 -0.169 0.000 1.280 474 Q HN 0.273 nan 8.270 nan 0.000 0.455 475 A N 1.922 124.652 122.820 -0.151 0.000 2.520 475 A HA 0.195 4.515 4.320 -0.001 0.000 0.235 475 A C -0.040 177.474 177.584 -0.116 0.000 1.065 475 A CA 0.260 52.229 52.037 -0.113 0.000 0.764 475 A CB 0.305 19.246 19.000 -0.098 0.000 1.002 475 A HN 0.578 nan 8.150 nan 0.000 0.502 476 R N 0.334 120.768 120.500 -0.111 0.000 2.807 476 R HA 0.449 4.789 4.340 -0.001 0.000 0.276 476 R C 0.227 176.409 176.300 -0.197 0.000 0.979 476 R CA -0.617 55.415 56.100 -0.113 0.000 0.928 476 R CB 1.150 31.408 30.300 -0.069 0.000 1.191 476 R HN 0.735 nan 8.270 nan 0.000 0.471 477 N N 0.236 118.749 118.700 -0.312 0.000 2.250 477 N HA 0.163 4.903 4.740 -0.001 0.000 0.190 477 N C -1.023 173.877 175.510 -1.016 0.000 1.116 477 N CA 0.338 52.934 53.050 -0.757 0.000 0.881 477 N CB 0.456 38.333 38.487 -1.017 0.000 1.006 477 N HN 0.369 nan 8.380 nan 0.000 0.491 478 W N 0.082 121.381 121.300 -0.002 0.000 3.083 478 W HA 0.546 5.205 4.660 -0.001 0.000 0.333 478 W C -0.698 175.833 176.519 0.019 0.000 1.217 478 W CA -0.767 56.586 57.345 0.012 0.000 1.170 478 W CB 0.812 30.271 29.460 -0.001 0.000 1.437 478 W HN -0.371 nan 8.180 nan 0.000 0.557 479 L N 2.025 123.431 121.223 0.305 0.000 2.303 479 L HA 0.652 4.991 4.340 -0.001 0.000 0.266 479 L C -2.141 174.854 176.870 0.208 0.000 1.011 479 L CA -2.725 52.238 54.840 0.204 0.000 0.818 479 L CB 0.535 42.714 42.059 0.200 0.000 1.326 479 L HN 0.068 nan 8.230 nan 0.000 0.435 480 P HA 0.243 nan 4.420 nan 0.000 0.274 480 P C -0.115 177.343 177.300 0.264 0.000 1.256 480 P CA -0.372 62.829 63.100 0.168 0.000 0.795 480 P CB 0.443 32.193 31.700 0.083 0.000 1.038 481 G N 0.678 109.639 108.800 0.268 0.000 2.667 481 G HA2 0.307 4.267 3.960 -0.001 0.000 0.250 481 G HA3 0.307 4.267 3.960 -0.001 0.000 0.250 481 G C -2.281 172.684 174.900 0.108 0.000 1.212 481 G CA -0.933 44.315 45.100 0.246 0.000 0.874 481 G HN 0.363 nan 8.290 nan 0.000 0.561 482 P HA 0.207 nan 4.420 nan 0.000 0.273 482 P C 0.108 177.334 177.300 -0.123 0.000 1.258 482 P CA -0.027 62.945 63.100 -0.213 0.000 0.802 482 P CB 0.596 32.060 31.700 -0.395 0.000 1.040 483 C N -1.866 117.341 119.300 -0.154 0.000 3.285 483 C HA 0.706 5.166 4.460 -0.001 0.000 0.325 483 C C -1.718 173.296 174.990 0.041 0.000 1.304 483 C CA -0.722 58.276 59.018 -0.033 0.000 1.319 483 C CB 0.697 28.459 27.740 0.036 0.000 1.640 483 C HN 0.604 nan 8.230 nan 0.000 0.477 484 Y N 1.716 121.974 120.300 -0.070 0.000 2.379 484 Y HA 0.491 5.041 4.550 -0.001 0.000 0.342 484 Y C 0.339 176.225 175.900 -0.023 0.000 1.126 484 Y CA -0.327 57.740 58.100 -0.054 0.000 1.310 484 Y CB 0.512 38.947 38.460 -0.042 0.000 1.115 484 Y HN 1.055 nan 8.280 nan 0.000 0.505 485 R N 3.698 124.081 120.500 -0.195 0.000 2.500 485 R HA 0.016 4.356 4.340 -0.001 0.000 0.281 485 R C -0.475 175.747 176.300 -0.129 0.000 0.953 485 R CA 0.810 56.828 56.100 -0.137 0.000 1.108 485 R CB 0.494 30.701 30.300 -0.155 0.000 0.901 485 R HN 0.609 nan 8.270 nan 0.000 0.410 486 Q N 2.318 122.076 119.800 -0.070 0.000 2.297 486 Q HA 0.141 4.480 4.340 -0.001 0.000 0.268 486 Q C -0.827 175.111 176.000 -0.104 0.000 1.045 486 Q CA -0.939 54.811 55.803 -0.088 0.000 0.861 486 Q CB 1.832 30.514 28.738 -0.093 0.000 1.344 486 Q HN 0.515 nan 8.270 nan 0.000 0.452 487 Q N 1.230 120.963 119.800 -0.111 0.000 2.327 487 Q HA 0.139 4.479 4.340 -0.001 0.000 0.254 487 Q C -0.761 175.178 176.000 -0.103 0.000 0.952 487 Q CA 0.148 55.901 55.803 -0.083 0.000 0.884 487 Q CB 0.752 29.487 28.738 -0.005 0.000 1.224 487 Q HN 0.386 nan 8.270 nan 0.000 0.422 488 R N 3.129 123.570 120.500 -0.098 0.000 2.308 488 R HA 0.419 4.759 4.340 -0.001 0.000 0.305 488 R C -1.216 175.044 176.300 -0.066 0.000 1.053 488 R CA -0.384 55.654 56.100 -0.103 0.000 0.957 488 R CB 0.296 30.512 30.300 -0.139 0.000 1.022 488 R HN 0.531 nan 8.270 nan 0.000 0.461 489 L N 2.081 123.184 121.223 -0.199 0.000 2.354 489 L HA 0.429 4.768 4.340 -0.001 0.000 0.269 489 L C -0.236 176.599 176.870 -0.058 0.000 1.005 489 L CA -0.172 54.534 54.840 -0.224 0.000 0.819 489 L CB 2.040 43.693 42.059 -0.677 0.000 1.311 489 L HN 0.586 nan 8.230 nan 0.000 0.423 490 S N 0.233 115.996 115.700 0.105 0.000 2.549 490 S HA 0.435 4.904 4.470 -0.001 0.000 0.297 490 S C 0.771 175.454 174.600 0.138 0.000 1.115 490 S CA -0.578 57.638 58.200 0.026 0.000 1.059 490 S CB 1.040 64.210 63.200 -0.049 0.000 1.046 490 S HN 0.644 nan 8.310 nan 0.000 0.506 491 K N 1.324 121.779 120.400 0.092 0.000 2.288 491 K HA 0.026 4.346 4.320 -0.001 0.000 0.201 491 K C 0.225 176.836 176.600 0.017 0.000 1.048 491 K CA 0.694 57.035 56.287 0.091 0.000 0.956 491 K CB -0.226 32.273 32.500 -0.003 0.000 0.746 491 K HN 0.497 nan 8.250 nan 0.000 0.461 492 T N 1.872 116.407 114.554 -0.032 0.000 2.738 492 T HA 0.179 4.529 4.350 -0.001 0.000 0.293 492 T C 0.597 175.307 174.700 0.018 0.000 0.913 492 T CA -0.288 61.799 62.100 -0.022 0.000 1.103 492 T CB 1.234 70.072 68.868 -0.050 0.000 0.880 492 T HN 0.146 nan 8.240 nan 0.000 0.526 493 A N 3.891 126.726 122.820 0.025 0.000 2.223 493 A HA 0.046 4.365 4.320 -0.001 0.000 0.222 493 A C 1.613 179.223 177.584 0.043 0.000 1.317 493 A CA 0.100 52.162 52.037 0.041 0.000 0.985 493 A CB -0.672 18.346 19.000 0.030 0.000 0.858 493 A HN 0.948 nan 8.150 nan 0.000 0.496 494 N N -2.654 116.072 118.700 0.043 0.000 2.067 494 N HA -0.029 4.711 4.740 -0.001 0.000 0.227 494 N C -0.331 175.213 175.510 0.057 0.000 1.348 494 N CA 0.250 53.327 53.050 0.045 0.000 0.879 494 N CB 0.099 38.604 38.487 0.030 0.000 1.109 494 N HN 0.113 nan 8.380 nan 0.000 0.501 495 D N 1.025 121.466 120.400 0.068 0.000 2.277 495 D HA 0.068 4.708 4.640 -0.001 0.000 0.208 495 D C 0.182 176.551 176.300 0.115 0.000 0.962 495 D CA 0.674 54.733 54.000 0.099 0.000 0.865 495 D CB 0.014 40.894 40.800 0.133 0.000 0.939 495 D HN 0.268 nan 8.370 nan 0.000 0.510 496 N N 1.111 119.884 118.700 0.121 0.000 2.445 496 N HA 0.013 4.753 4.740 -0.001 0.000 0.264 496 N C 0.061 175.645 175.510 0.123 0.000 1.227 496 N CA -0.275 52.866 53.050 0.151 0.000 0.963 496 N CB 0.394 39.010 38.487 0.214 0.000 1.188 496 N HN 0.027 nan 8.380 nan 0.000 0.491 497 N N 0.857 119.627 118.700 0.116 0.000 2.492 497 N HA -0.088 4.652 4.740 -0.001 0.000 0.262 497 N C -0.258 175.340 175.510 0.148 0.000 1.202 497 N CA 0.235 53.325 53.050 0.066 0.000 0.926 497 N CB 0.087 38.526 38.487 -0.079 0.000 1.078 497 N HN 0.450 nan 8.380 nan 0.000 0.454 498 N N 1.874 120.630 118.700 0.093 0.000 3.193 498 N HA -0.024 4.715 4.740 -0.001 0.000 0.312 498 N C -1.039 174.537 175.510 0.110 0.000 1.261 498 N CA -0.164 52.943 53.050 0.095 0.000 1.208 498 N CB -0.123 38.399 38.487 0.058 0.000 1.471 498 N HN 0.493 nan 8.380 nan 0.000 0.548 499 S N 0.311 116.124 115.700 0.188 0.000 2.537 499 S HA 0.195 4.665 4.470 -0.001 0.000 0.270 499 S C -0.953 173.835 174.600 0.313 0.000 1.142 499 S CA -1.123 57.202 58.200 0.209 0.000 0.870 499 S CB 1.426 64.731 63.200 0.175 0.000 1.112 499 S HN 0.244 nan 8.310 nan 0.000 0.466 500 N N 1.342 120.154 118.700 0.188 0.000 2.439 500 N HA 0.430 5.169 4.740 -0.001 0.000 0.243 500 N C -0.397 175.209 175.510 0.160 0.000 1.088 500 N CA -0.844 52.260 53.050 0.091 0.000 0.940 500 N CB -0.318 38.196 38.487 0.044 0.000 1.180 500 N HN 0.677 nan 8.380 nan 0.000 0.505 501 F N 1.788 121.777 119.950 0.065 0.000 2.805 501 F HA 0.550 5.077 4.527 -0.001 0.000 0.317 501 F C -2.023 173.837 175.800 0.099 0.000 1.146 501 F CA -1.603 56.439 58.000 0.070 0.000 1.265 501 F CB 0.673 39.692 39.000 0.032 0.000 0.992 501 F HN 0.242 nan 8.300 nan 0.000 0.511 502 P HA -0.035 nan 4.420 nan 0.000 0.249 502 P C 0.617 178.063 177.300 0.244 0.000 1.241 502 P CA 1.003 64.107 63.100 0.007 0.000 0.781 502 P CB -0.092 31.586 31.700 -0.035 0.000 1.088 503 W N -0.519 120.806 121.300 0.042 0.000 3.900 503 W HA 0.027 4.687 4.660 -0.001 0.000 0.186 503 W C 0.507 177.065 176.519 0.066 0.000 1.082 503 W CA 0.665 58.035 57.345 0.042 0.000 1.537 503 W CB 0.016 29.481 29.460 0.008 0.000 0.639 503 W HN -0.108 nan 8.180 nan 0.000 0.912 504 T N -0.681 113.937 114.554 0.106 0.000 3.100 504 T HA 0.345 4.695 4.350 -0.001 0.000 0.253 504 T C 1.167 175.866 174.700 -0.001 0.000 1.118 504 T CA 0.956 63.058 62.100 0.003 0.000 1.058 504 T CB 0.363 69.303 68.868 0.120 0.000 0.953 504 T HN 0.084 nan 8.240 nan 0.000 0.515 505 A N 0.206 123.074 122.820 0.080 0.000 2.600 505 A HA 0.831 5.151 4.320 -0.001 0.000 0.252 505 A C 0.993 178.625 177.584 0.080 0.000 1.200 505 A CA -0.024 52.061 52.037 0.081 0.000 0.981 505 A CB 0.148 19.237 19.000 0.149 0.000 1.207 505 A HN 0.613 nan 8.150 nan 0.000 0.577 506 A N 0.294 123.158 122.820 0.074 0.000 2.302 506 A HA 0.630 4.949 4.320 -0.001 0.000 0.285 506 A C 0.364 177.980 177.584 0.053 0.000 1.105 506 A CA -0.183 51.929 52.037 0.124 0.000 0.816 506 A CB 0.251 19.416 19.000 0.275 0.000 1.067 506 A HN 0.298 nan 8.150 nan 0.000 0.489 507 S N 1.392 117.170 115.700 0.130 0.000 2.510 507 S HA 0.380 4.850 4.470 -0.001 0.000 0.279 507 S C -0.009 174.716 174.600 0.208 0.000 1.284 507 S CA -0.161 58.132 58.200 0.156 0.000 1.059 507 S CB -0.002 63.320 63.200 0.203 0.000 0.901 507 S HN 0.635 nan 8.310 nan 0.000 0.491 508 K N 1.668 122.149 120.400 0.135 0.000 2.509 508 K HA 0.599 4.918 4.320 -0.001 0.000 0.266 508 K C -1.351 175.326 176.600 0.128 0.000 0.987 508 K CA -1.067 55.234 56.287 0.024 0.000 0.868 508 K CB 1.344 33.698 32.500 -0.243 0.000 1.421 508 K HN 0.563 nan 8.250 nan 0.000 0.444 509 Y N -1.517 118.814 120.300 0.053 0.000 2.630 509 Y HA 0.620 5.170 4.550 -0.001 0.000 0.337 509 Y C -0.689 175.286 175.900 0.125 0.000 1.051 509 Y CA -1.022 57.117 58.100 0.065 0.000 1.121 509 Y CB 1.532 39.981 38.460 -0.019 0.000 1.299 509 Y HN 0.751 nan 8.280 nan 0.000 0.498 510 H N 1.736 120.946 119.070 0.234 0.000 2.865 510 H HA 0.628 5.184 4.556 -0.001 0.000 0.362 510 H C -2.393 173.064 175.328 0.216 0.000 1.114 510 H CA -1.183 54.947 56.048 0.137 0.000 1.208 510 H CB 1.619 31.417 29.762 0.059 0.000 1.727 510 H HN 0.885 nan 8.280 nan 0.000 0.534 511 L N 3.493 124.759 121.223 0.072 0.000 2.385 511 L HA 0.236 4.576 4.340 -0.001 0.000 0.273 511 L C 0.544 177.465 176.870 0.085 0.000 0.990 511 L CA -0.850 53.989 54.840 -0.001 0.000 0.821 511 L CB 1.547 43.673 42.059 0.112 0.000 1.279 511 L HN 0.839 nan 8.230 nan 0.000 0.412 512 N N 2.375 121.109 118.700 0.056 0.000 2.741 512 N HA -0.185 4.554 4.740 -0.001 0.000 0.250 512 N C 0.697 176.306 175.510 0.166 0.000 1.115 512 N CA 1.331 54.442 53.050 0.101 0.000 0.724 512 N CB -0.613 37.929 38.487 0.091 0.000 1.090 512 N HN 1.123 nan 8.380 nan 0.000 0.558 513 G N -0.358 108.628 108.800 0.310 0.000 2.176 513 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.252 513 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.252 513 G C -0.146 174.901 174.900 0.244 0.000 1.024 513 G CA 0.524 45.816 45.100 0.319 0.000 0.755 513 G HN 0.722 nan 8.290 nan 0.000 0.507 514 R N 0.494 121.165 120.500 0.285 0.000 2.451 514 R HA 0.370 4.710 4.340 -0.001 0.000 0.307 514 R C -1.136 175.278 176.300 0.190 0.000 0.965 514 R CA -0.842 55.379 56.100 0.201 0.000 0.865 514 R CB 0.764 31.166 30.300 0.169 0.000 1.174 514 R HN 0.088 nan 8.270 nan 0.000 0.455 515 D N 1.752 122.252 120.400 0.168 0.000 2.425 515 D HA 0.134 4.774 4.640 -0.001 0.000 0.247 515 D C -0.710 175.619 176.300 0.047 0.000 1.147 515 D CA 0.806 54.869 54.000 0.104 0.000 0.879 515 D CB 1.493 42.378 40.800 0.141 0.000 1.179 515 D HN 0.374 nan 8.370 nan 0.000 0.456 516 S N 1.523 117.060 115.700 -0.273 0.000 2.571 516 S HA 0.285 4.754 4.470 -0.001 0.000 0.284 516 S C -0.615 173.704 174.600 -0.469 0.000 1.128 516 S CA -0.759 57.202 58.200 -0.398 0.000 0.970 516 S CB 1.799 64.572 63.200 -0.712 0.000 1.039 516 S HN 0.292 nan 8.310 nan 0.000 0.485 517 L N 3.924 125.066 121.223 -0.134 0.000 2.418 517 L HA 0.338 4.677 4.340 -0.001 0.000 0.274 517 L C -0.358 176.472 176.870 -0.065 0.000 1.135 517 L CA 0.111 54.891 54.840 -0.100 0.000 0.870 517 L CB 0.535 42.576 42.059 -0.030 0.000 1.154 517 L HN 0.522 nan 8.230 nan 0.000 0.462 518 V N 6.898 126.845 119.914 0.055 0.000 2.242 518 V HA 0.025 4.144 4.120 -0.001 0.000 0.242 518 V C 1.238 177.420 176.094 0.148 0.000 1.240 518 V CA 0.025 62.442 62.300 0.195 0.000 1.211 518 V CB -0.688 31.291 31.823 0.260 0.000 1.338 518 V HN 0.919 nan 8.190 nan 0.000 0.499 519 N N 6.365 125.085 118.700 0.033 0.000 2.054 519 N HA 0.011 4.750 4.740 -0.001 0.000 0.193 519 N C -1.814 173.836 175.510 0.233 0.000 1.066 519 N CA 0.797 53.861 53.050 0.023 0.000 0.853 519 N CB -0.425 38.034 38.487 -0.047 0.000 1.048 519 N HN 0.366 nan 8.380 nan 0.000 0.431 520 P HA 0.277 nan 4.420 nan 0.000 0.251 520 P C -0.241 177.137 177.300 0.131 0.000 1.718 520 P CA -0.377 62.811 63.100 0.147 0.000 1.119 520 P CB 0.810 32.575 31.700 0.108 0.000 1.762 521 G N 4.638 113.529 108.800 0.152 0.000 2.479 521 G HA2 0.234 4.194 3.960 -0.001 0.000 0.275 521 G HA3 0.234 4.194 3.960 -0.001 0.000 0.275 521 G C -2.250 172.690 174.900 0.066 0.000 1.421 521 G CA -1.198 43.962 45.100 0.100 0.000 1.059 521 G HN 0.216 nan 8.290 nan 0.000 0.535 522 P HA 0.204 nan 4.420 nan 0.000 0.269 522 P C -0.182 177.144 177.300 0.042 0.000 1.205 522 P CA 0.276 63.370 63.100 -0.010 0.000 0.780 522 P CB 0.312 31.971 31.700 -0.067 0.000 0.858 523 A N 3.547 126.394 122.820 0.046 0.000 2.473 523 A HA 0.357 4.677 4.320 -0.001 0.000 0.282 523 A C 0.124 177.761 177.584 0.089 0.000 1.163 523 A CA 0.364 52.460 52.037 0.097 0.000 0.827 523 A CB -0.973 18.113 19.000 0.143 0.000 1.098 523 A HN 0.421 nan 8.150 nan 0.000 0.515 524 M N 2.064 121.722 119.600 0.096 0.000 2.644 524 M HA 0.588 5.067 4.480 -0.001 0.000 0.304 524 M C 0.234 176.588 176.300 0.090 0.000 1.215 524 M CA -0.546 54.807 55.300 0.089 0.000 0.871 524 M CB 2.242 34.891 32.600 0.083 0.000 1.740 524 M HN 0.636 nan 8.290 nan 0.000 0.464 525 A N 0.893 123.755 122.820 0.070 0.000 2.425 525 A HA 0.355 4.675 4.320 -0.001 0.000 0.249 525 A C 0.784 178.413 177.584 0.075 0.000 1.084 525 A CA -0.258 51.809 52.037 0.051 0.000 0.781 525 A CB 0.262 19.265 19.000 0.004 0.000 1.019 525 A HN 0.924 nan 8.150 nan 0.000 0.490 526 S N 0.647 116.413 115.700 0.110 0.000 2.371 526 S HA -0.008 4.462 4.470 -0.001 0.000 0.224 526 S C 0.748 175.512 174.600 0.273 0.000 1.029 526 S CA 1.507 59.839 58.200 0.219 0.000 0.978 526 S CB -0.280 63.120 63.200 0.335 0.000 0.833 526 S HN 0.956 nan 8.310 nan 0.000 0.466 527 H N 0.281 119.419 119.070 0.114 0.000 3.016 527 H HA 0.508 5.063 4.556 -0.001 0.000 0.362 527 H C -1.033 174.346 175.328 0.085 0.000 1.233 527 H CA -1.211 54.907 56.048 0.116 0.000 1.124 527 H CB 0.948 30.807 29.762 0.162 0.000 1.850 527 H HN 0.130 nan 8.280 nan 0.000 0.549 528 K N 0.987 121.449 120.400 0.103 0.000 2.117 528 K HA 0.200 4.520 4.320 -0.001 0.000 0.240 528 K C -0.622 176.033 176.600 0.091 0.000 1.031 528 K CA -0.693 55.613 56.287 0.032 0.000 0.909 528 K CB 0.610 33.131 32.500 0.035 0.000 1.097 528 K HN 0.342 nan 8.250 nan 0.000 0.492 529 D N 1.079 121.511 120.400 0.054 0.000 2.443 529 D HA 0.008 4.648 4.640 -0.001 0.000 0.239 529 D C -0.410 175.962 176.300 0.120 0.000 1.136 529 D CA 0.904 54.953 54.000 0.081 0.000 0.879 529 D CB 0.227 41.053 40.800 0.043 0.000 1.195 529 D HN 0.602 nan 8.370 nan 0.000 0.443 530 D N 1.364 121.845 120.400 0.136 0.000 2.835 530 D HA -0.155 4.484 4.640 -0.001 0.000 0.230 530 D C 0.585 176.970 176.300 0.143 0.000 1.130 530 D CA 0.859 54.929 54.000 0.117 0.000 0.738 530 D CB -0.652 40.197 40.800 0.082 0.000 1.090 530 D HN 0.599 nan 8.370 nan 0.000 0.433 531 E N -0.547 119.772 120.200 0.199 0.000 3.555 531 E HA 0.086 4.435 4.350 -0.001 0.000 0.187 531 E C 0.440 177.063 176.600 0.039 0.000 1.267 531 E CA -0.144 56.372 56.400 0.192 0.000 1.353 531 E CB 0.343 30.244 29.700 0.334 0.000 2.031 531 E HN 0.049 nan 8.360 nan 0.000 0.522 532 E N 0.892 121.005 120.200 -0.146 0.000 2.586 532 E HA -0.257 4.092 4.350 -0.001 0.000 0.259 532 E C 0.262 176.675 176.600 -0.312 0.000 1.107 532 E CA 1.452 57.528 56.400 -0.540 0.000 0.754 532 E CB -1.135 28.457 29.700 -0.179 0.000 1.335 532 E HN 0.391 nan 8.360 nan 0.000 0.411 533 K N -1.820 118.436 120.400 -0.239 0.000 2.574 533 K HA 0.161 4.481 4.320 -0.001 0.000 0.215 533 K C 0.040 176.496 176.600 -0.240 0.000 1.485 533 K CA -0.160 55.969 56.287 -0.263 0.000 1.006 533 K CB 0.208 32.477 32.500 -0.384 0.000 1.254 533 K HN 0.032 nan 8.250 nan 0.000 0.580 534 F N 3.561 123.536 119.950 0.043 0.000 2.390 534 F HA 0.361 4.888 4.527 -0.001 0.000 0.361 534 F C -0.050 175.832 175.800 0.138 0.000 1.124 534 F CA -1.311 56.732 58.000 0.072 0.000 1.149 534 F CB 0.592 39.610 39.000 0.031 0.000 1.160 534 F HN 0.014 nan 8.300 nan 0.000 0.501 535 F N 3.154 123.199 119.950 0.158 0.000 2.470 535 F HA 0.827 5.353 4.527 -0.001 0.000 0.329 535 F C -3.008 172.861 175.800 0.115 0.000 1.072 535 F CA -3.622 54.452 58.000 0.123 0.000 0.989 535 F CB 0.501 39.539 39.000 0.064 0.000 1.193 535 F HN 0.110 nan 8.300 nan 0.000 0.481 536 P HA 0.108 nan 4.420 nan 0.000 0.271 536 P C -0.453 176.722 177.300 -0.210 0.000 1.218 536 P CA -0.425 62.615 63.100 -0.100 0.000 0.780 536 P CB 0.736 32.443 31.700 0.011 0.000 0.901 537 M N 4.987 124.407 119.600 -0.300 0.000 2.734 537 M HA -0.049 4.430 4.480 -0.001 0.000 0.356 537 M C 0.923 176.891 176.300 -0.554 0.000 1.790 537 M CA 0.719 55.829 55.300 -0.317 0.000 1.231 537 M CB -1.301 31.128 32.600 -0.284 0.000 2.102 537 M HN 0.559 nan 8.290 nan 0.000 0.463 538 H N 1.165 120.340 119.070 0.174 0.000 2.690 538 H HA -0.188 4.368 4.556 -0.001 0.000 0.309 538 H C 0.427 175.837 175.328 0.137 0.000 1.138 538 H CA 0.472 56.613 56.048 0.156 0.000 1.142 538 H CB -2.194 27.633 29.762 0.108 0.000 1.410 538 H HN 0.916 nan 8.280 nan 0.000 0.409 539 G N 0.916 109.781 108.800 0.109 0.000 3.262 539 G HA2 0.107 4.067 3.960 -0.001 0.000 0.228 539 G HA3 0.107 4.067 3.960 -0.001 0.000 0.228 539 G C 0.357 175.353 174.900 0.161 0.000 1.197 539 G CA 0.325 45.498 45.100 0.121 0.000 0.819 539 G HN 0.916 nan 8.290 nan 0.000 0.531 540 N N -1.197 117.601 118.700 0.164 0.000 3.322 540 N HA 0.112 4.852 4.740 -0.001 0.000 0.233 540 N C -1.729 173.797 175.510 0.027 0.000 1.399 540 N CA -0.843 52.276 53.050 0.115 0.000 0.894 540 N CB 0.828 39.389 38.487 0.123 0.000 1.440 540 N HN -0.188 nan 8.380 nan 0.000 0.503 541 L N 0.799 121.985 121.223 -0.061 0.000 2.367 541 L HA 0.442 4.782 4.340 -0.001 0.000 0.275 541 L C 0.060 176.664 176.870 -0.444 0.000 1.129 541 L CA 0.131 54.811 54.840 -0.267 0.000 0.839 541 L CB 0.145 42.000 42.059 -0.339 0.000 1.133 541 L HN 0.473 nan 8.230 nan 0.000 0.453 542 I N 3.739 124.041 120.570 -0.447 0.000 2.389 542 I HA 0.343 4.513 4.170 -0.001 0.000 0.288 542 I C -0.663 175.187 176.117 -0.444 0.000 0.999 542 I CA -0.408 60.671 61.300 -0.368 0.000 1.129 542 I CB 1.014 38.902 38.000 -0.186 0.000 1.288 542 I HN 0.308 nan 8.210 nan 0.000 0.444 543 F N 3.083 122.989 119.950 -0.074 0.000 2.422 543 F HA 0.579 5.106 4.527 -0.001 0.000 0.333 543 F C 1.070 176.838 175.800 -0.054 0.000 1.095 543 F CA -0.642 57.327 58.000 -0.052 0.000 1.038 543 F CB 1.655 40.626 39.000 -0.049 0.000 1.156 543 F HN 0.420 nan 8.300 nan 0.000 0.483 544 G N 2.744 111.633 108.800 0.149 0.000 2.353 544 G HA2 0.337 4.297 3.960 -0.001 0.000 0.284 544 G HA3 0.337 4.297 3.960 -0.001 0.000 0.284 544 G C -0.564 174.362 174.900 0.043 0.000 1.172 544 G CA -0.743 44.393 45.100 0.061 0.000 0.854 544 G HN 0.545 nan 8.290 nan 0.000 0.485 545 K N 0.792 121.193 120.400 0.001 0.000 2.286 545 K HA 0.063 4.383 4.320 -0.001 0.000 0.256 545 K C 0.314 176.894 176.600 -0.034 0.000 0.999 545 K CA -0.177 56.089 56.287 -0.035 0.000 0.908 545 K CB 0.652 33.119 32.500 -0.054 0.000 0.981 545 K HN 0.517 nan 8.250 nan 0.000 0.500 546 E N 0.345 120.509 120.200 -0.061 0.000 2.415 546 E HA 0.082 4.431 4.350 -0.001 0.000 0.263 546 E C -0.187 176.391 176.600 -0.038 0.000 0.995 546 E CA 1.087 57.458 56.400 -0.048 0.000 0.915 546 E CB 0.307 29.962 29.700 -0.075 0.000 0.951 546 E HN 0.636 nan 8.360 nan 0.000 0.449 547 G N 3.569 112.357 108.800 -0.019 0.000 2.540 547 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.260 547 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.260 547 G C -0.452 174.437 174.900 -0.019 0.000 0.993 547 G CA 0.254 45.343 45.100 -0.017 0.000 1.327 547 G HN 0.612 nan 8.290 nan 0.000 0.485 548 T N 1.206 115.753 114.554 -0.012 0.000 3.705 548 T HA 0.432 4.782 4.350 -0.001 0.000 0.342 548 T C 0.376 175.070 174.700 -0.009 0.000 1.043 548 T CA -0.105 61.987 62.100 -0.014 0.000 1.071 548 T CB 1.195 70.053 68.868 -0.016 0.000 1.124 548 T HN 0.638 nan 8.240 nan 0.000 0.467 549 T N 2.385 116.932 114.554 -0.011 0.000 2.906 549 T HA 0.211 4.560 4.350 -0.001 0.000 0.329 549 T C 1.632 176.326 174.700 -0.011 0.000 1.091 549 T CA 0.328 62.422 62.100 -0.010 0.000 1.127 549 T CB 0.457 69.318 68.868 -0.013 0.000 1.035 549 T HN 0.759 nan 8.240 nan 0.000 0.547 550 A N 1.963 124.777 122.820 -0.011 0.000 2.206 550 A HA 0.231 4.551 4.320 -0.001 0.000 0.211 550 A C 1.396 178.967 177.584 -0.022 0.000 1.158 550 A CA 0.236 52.265 52.037 -0.014 0.000 0.761 550 A CB 0.187 19.180 19.000 -0.012 0.000 0.801 550 A HN 0.563 nan 8.150 nan 0.000 0.473 551 S N 0.358 116.045 115.700 -0.022 0.000 2.498 551 S HA 0.410 4.879 4.470 -0.001 0.000 0.324 551 S C -0.444 174.141 174.600 -0.025 0.000 1.071 551 S CA -0.671 57.513 58.200 -0.026 0.000 1.113 551 S CB -0.436 62.748 63.200 -0.026 0.000 0.976 551 S HN 0.557 nan 8.310 nan 0.000 0.462 552 N N 2.241 120.925 118.700 -0.027 0.000 2.586 552 N HA -0.201 4.539 4.740 -0.001 0.000 0.282 552 N C -0.334 175.163 175.510 -0.022 0.000 1.171 552 N CA 0.535 53.571 53.050 -0.024 0.000 0.733 552 N CB -0.540 37.932 38.487 -0.024 0.000 0.910 552 N HN 0.657 nan 8.380 nan 0.000 0.548 553 A N 0.790 123.596 122.820 -0.022 0.000 2.252 553 A HA 0.579 4.898 4.320 -0.001 0.000 0.305 553 A C 0.466 178.036 177.584 -0.024 0.000 1.097 553 A CA -0.391 51.632 52.037 -0.022 0.000 0.849 553 A CB 0.769 19.755 19.000 -0.023 0.000 1.142 553 A HN 0.463 nan 8.150 nan 0.000 0.499 554 E N -0.716 119.469 120.200 -0.025 0.000 2.374 554 E HA 0.244 4.594 4.350 -0.001 0.000 0.260 554 E C 0.842 177.422 176.600 -0.034 0.000 1.101 554 E CA -0.267 56.117 56.400 -0.026 0.000 0.907 554 E CB 0.698 30.383 29.700 -0.025 0.000 1.014 554 E HN 0.513 nan 8.360 nan 0.000 0.427 555 L N 2.075 123.278 121.223 -0.034 0.000 2.191 555 L HA -0.067 4.273 4.340 -0.001 0.000 0.212 555 L C 0.688 177.522 176.870 -0.060 0.000 1.103 555 L CA 1.807 56.617 54.840 -0.050 0.000 0.769 555 L CB -0.096 41.939 42.059 -0.040 0.000 0.908 555 L HN 0.521 nan 8.230 nan 0.000 0.438 556 D N -0.701 119.670 120.400 -0.048 0.000 2.328 556 D HA -0.003 4.636 4.640 -0.001 0.000 0.226 556 D C 0.815 177.086 176.300 -0.048 0.000 1.066 556 D CA 0.274 54.245 54.000 -0.049 0.000 0.861 556 D CB -0.018 40.757 40.800 -0.041 0.000 0.912 556 D HN 0.374 nan 8.370 nan 0.000 0.521 557 N N 0.042 118.714 118.700 -0.047 0.000 2.184 557 N HA 0.037 4.776 4.740 -0.001 0.000 0.206 557 N C -0.016 175.470 175.510 -0.041 0.000 1.151 557 N CA 0.057 53.082 53.050 -0.042 0.000 0.878 557 N CB 1.669 40.135 38.487 -0.035 0.000 1.014 557 N HN 0.072 nan 8.380 nan 0.000 0.512 558 V N -2.178 117.705 119.914 -0.051 0.000 3.074 558 V HA 0.660 4.780 4.120 -0.001 0.000 0.314 558 V C -0.410 175.650 176.094 -0.057 0.000 1.117 558 V CA -0.985 61.286 62.300 -0.049 0.000 1.014 558 V CB 2.512 34.295 31.823 -0.066 0.000 1.057 558 V HN -0.181 nan 8.190 nan 0.000 0.438 559 M N 3.280 122.863 119.600 -0.028 0.000 2.043 559 M HA 0.583 5.062 4.480 -0.001 0.000 0.322 559 M C -0.998 175.272 176.300 -0.050 0.000 0.962 559 M CA -0.146 55.144 55.300 -0.017 0.000 0.927 559 M CB 1.531 34.162 32.600 0.051 0.000 1.466 559 M HN 0.561 nan 8.290 nan 0.000 0.412 560 I N 2.603 123.100 120.570 -0.122 0.000 2.365 560 I HA 0.324 4.494 4.170 -0.001 0.000 0.291 560 I C 0.633 176.692 176.117 -0.097 0.000 1.004 560 I CA -0.660 60.535 61.300 -0.174 0.000 1.311 560 I CB 1.452 39.245 38.000 -0.345 0.000 1.401 560 I HN 0.597 nan 8.210 nan 0.000 0.491 561 T N 0.519 115.017 114.554 -0.094 0.000 2.806 561 T HA 0.279 4.628 4.350 -0.001 0.000 0.290 561 T C -0.488 174.254 174.700 0.071 0.000 0.966 561 T CA -0.839 61.223 62.100 -0.064 0.000 1.060 561 T CB 1.607 70.309 68.868 -0.276 0.000 0.927 561 T HN 0.409 nan 8.240 nan 0.000 0.485 562 D N 1.945 122.435 120.400 0.149 0.000 2.329 562 D HA 0.183 4.823 4.640 -0.001 0.000 0.232 562 D C -0.122 176.325 176.300 0.246 0.000 1.088 562 D CA -0.509 53.621 54.000 0.216 0.000 0.835 562 D CB 0.913 41.850 40.800 0.227 0.000 1.078 562 D HN 0.447 nan 8.370 nan 0.000 0.495 563 E N 3.335 123.670 120.200 0.226 0.000 2.360 563 E HA 0.059 4.408 4.350 -0.001 0.000 0.253 563 E C 0.055 176.715 176.600 0.100 0.000 1.189 563 E CA -0.056 56.453 56.400 0.182 0.000 1.252 563 E CB 0.241 30.048 29.700 0.178 0.000 1.408 563 E HN 0.656 nan 8.360 nan 0.000 0.464 564 E N -0.248 119.997 120.200 0.075 0.000 2.569 564 E HA 0.127 4.477 4.350 -0.001 0.000 0.205 564 E C 0.193 176.778 176.600 -0.025 0.000 1.006 564 E CA -0.003 56.375 56.400 -0.036 0.000 0.985 564 E CB 0.303 29.961 29.700 -0.070 0.000 1.060 564 E HN -0.035 nan 8.360 nan 0.000 0.460 565 E N 0.741 120.938 120.200 -0.004 0.000 2.431 565 E HA 0.135 4.485 4.350 -0.001 0.000 0.200 565 E C 1.481 178.071 176.600 -0.016 0.000 0.995 565 E CA 0.238 56.621 56.400 -0.029 0.000 0.915 565 E CB 0.310 29.974 29.700 -0.060 0.000 0.930 565 E HN 0.555 nan 8.360 nan 0.000 0.496 566 I N -1.980 118.593 120.570 0.006 0.000 3.858 566 I HA 0.290 4.460 4.170 -0.001 0.000 0.325 566 I C 1.029 177.169 176.117 0.039 0.000 1.403 566 I CA -0.185 61.137 61.300 0.036 0.000 1.169 566 I CB 0.183 38.214 38.000 0.050 0.000 1.077 566 I HN -0.134 nan 8.210 nan 0.000 0.403 567 R N 1.413 121.920 120.500 0.012 0.000 2.152 567 R HA -0.088 4.251 4.340 -0.001 0.000 0.232 567 R C 2.185 178.490 176.300 0.009 0.000 1.117 567 R CA 1.989 58.086 56.100 -0.004 0.000 0.981 567 R CB -0.370 29.911 30.300 -0.033 0.000 0.870 567 R HN 0.649 nan 8.270 nan 0.000 0.451 568 T N -3.211 111.357 114.554 0.024 0.000 3.067 568 T HA -0.010 4.340 4.350 -0.001 0.000 0.257 568 T C 1.710 176.400 174.700 -0.016 0.000 1.105 568 T CA 1.138 63.241 62.100 0.006 0.000 1.104 568 T CB 0.216 69.094 68.868 0.016 0.000 0.925 568 T HN 0.304 nan 8.240 nan 0.000 0.498 569 T N -1.900 112.662 114.554 0.014 0.000 2.955 569 T HA 0.317 4.667 4.350 -0.001 0.000 0.251 569 T C 0.359 175.113 174.700 0.089 0.000 1.002 569 T CA -0.539 61.573 62.100 0.019 0.000 0.970 569 T CB -0.270 68.600 68.868 0.003 0.000 1.091 569 T HN 0.383 nan 8.240 nan 0.000 0.495 570 N N 2.197 120.948 118.700 0.085 0.000 2.319 570 N HA 0.573 5.313 4.740 -0.001 0.000 0.305 570 N C -3.132 172.422 175.510 0.074 0.000 1.103 570 N CA -2.017 51.096 53.050 0.105 0.000 0.815 570 N CB 2.021 40.575 38.487 0.112 0.000 1.288 570 N HN 0.058 nan 8.380 nan 0.000 0.493 571 P HA 0.055 nan 4.420 nan 0.000 0.272 571 P C -0.674 176.663 177.300 0.063 0.000 1.223 571 P CA -0.378 62.768 63.100 0.077 0.000 0.784 571 P CB 0.618 32.422 31.700 0.174 0.000 0.923 572 V N 1.965 121.901 119.914 0.037 0.000 2.572 572 V HA 0.115 4.235 4.120 -0.001 0.000 0.291 572 V C 1.718 177.838 176.094 0.042 0.000 1.039 572 V CA 0.531 62.851 62.300 0.033 0.000 1.055 572 V CB -0.036 31.795 31.823 0.014 0.000 0.969 572 V HN 0.721 nan 8.190 nan 0.000 0.482 573 A N 4.253 127.104 122.820 0.051 0.000 1.908 573 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 573 A C 2.255 179.844 177.584 0.009 0.000 1.181 573 A CA 2.401 54.465 52.037 0.045 0.000 0.627 573 A CB -0.694 18.342 19.000 0.060 0.000 0.818 573 A HN 1.016 nan 8.150 nan 0.000 0.445 574 T N -2.695 111.858 114.554 -0.002 0.000 3.009 574 T HA 0.072 4.422 4.350 -0.001 0.000 0.258 574 T C 0.815 175.484 174.700 -0.051 0.000 1.063 574 T CA 0.394 62.469 62.100 -0.041 0.000 1.139 574 T CB -0.205 68.631 68.868 -0.053 0.000 0.890 574 T HN 0.392 nan 8.240 nan 0.000 0.471 575 E N 2.373 122.554 120.200 -0.032 0.000 2.397 575 E HA 0.174 4.524 4.350 -0.001 0.000 0.254 575 E C 0.603 177.193 176.600 -0.017 0.000 1.231 575 E CA -0.208 56.170 56.400 -0.036 0.000 0.954 575 E CB 0.474 30.157 29.700 -0.028 0.000 1.024 575 E HN 0.769 nan 8.360 nan 0.000 0.481 576 Q N -0.350 119.441 119.800 -0.016 0.000 2.492 576 Q HA 0.016 4.356 4.340 -0.001 0.000 0.184 576 Q C 0.680 176.725 176.000 0.075 0.000 1.126 576 Q CA -0.038 55.774 55.803 0.015 0.000 1.196 576 Q CB 0.117 28.855 28.738 -0.000 0.000 1.240 576 Q HN 0.610 nan 8.270 nan 0.000 0.651 577 Y N -1.535 118.742 120.300 -0.038 0.000 2.539 577 Y HA 0.429 4.979 4.550 -0.001 0.000 0.284 577 Y C 0.537 176.424 175.900 -0.020 0.000 1.134 577 Y CA 1.084 59.168 58.100 -0.026 0.000 1.251 577 Y CB 1.217 39.661 38.460 -0.027 0.000 1.260 577 Y HN 0.865 nan 8.280 nan 0.000 0.528 578 G N -0.984 107.826 108.800 0.018 0.000 2.399 578 G HA2 0.307 4.266 3.960 -0.001 0.000 0.256 578 G HA3 0.307 4.266 3.960 -0.001 0.000 0.256 578 G C -1.432 173.477 174.900 0.015 0.000 1.236 578 G CA -0.381 44.685 45.100 -0.057 0.000 0.914 578 G HN -0.065 nan 8.290 nan 0.000 0.482 579 T N 0.088 114.644 114.554 0.004 0.000 2.829 579 T HA 0.678 5.027 4.350 -0.001 0.000 0.280 579 T C -0.660 174.057 174.700 0.029 0.000 0.999 579 T CA -0.320 61.788 62.100 0.012 0.000 0.983 579 T CB 1.715 70.580 68.868 -0.005 0.000 0.968 579 T HN 0.830 nan 8.240 nan 0.000 0.446 580 V N 1.677 121.608 119.914 0.028 0.000 2.789 580 V HA 0.804 4.924 4.120 -0.001 0.000 0.311 580 V C 0.111 176.215 176.094 0.017 0.000 1.073 580 V CA -1.305 61.012 62.300 0.029 0.000 0.921 580 V CB 1.826 33.670 31.823 0.035 0.000 1.009 580 V HN 1.089 nan 8.190 nan 0.000 0.426 581 A N 3.053 125.883 122.820 0.017 0.000 2.322 581 A HA 0.705 5.024 4.320 -0.001 0.000 0.269 581 A C 0.412 178.002 177.584 0.010 0.000 1.094 581 A CA -0.303 51.741 52.037 0.012 0.000 0.807 581 A CB 0.173 19.182 19.000 0.014 0.000 1.047 581 A HN 1.094 nan 8.150 nan 0.000 0.487 582 N N 1.190 119.893 118.700 0.006 0.000 2.604 582 N HA 0.125 4.865 4.740 -0.001 0.000 0.284 582 N C -1.238 174.274 175.510 0.003 0.000 1.716 582 N CA -0.404 52.649 53.050 0.004 0.000 0.859 582 N CB 0.111 38.599 38.487 0.002 0.000 1.403 582 N HN 0.743 nan 8.380 nan 0.000 0.501 583 N N -0.249 118.453 118.700 0.004 0.000 3.322 583 N HA 0.147 4.886 4.740 -0.001 0.000 0.233 583 N C -1.740 173.773 175.510 0.005 0.000 1.399 583 N CA -0.580 52.472 53.050 0.004 0.000 0.894 583 N CB 0.602 39.090 38.487 0.002 0.000 1.440 583 N HN 0.049 nan 8.380 nan 0.000 0.503 584 L N 1.556 122.782 121.223 0.005 0.000 2.353 584 L HA 0.247 4.586 4.340 -0.001 0.000 0.269 584 L C 0.402 177.275 176.870 0.005 0.000 1.085 584 L CA -0.846 53.998 54.840 0.006 0.000 0.938 584 L CB 0.229 42.292 42.059 0.006 0.000 1.312 584 L HN 0.623 nan 8.230 nan 0.000 0.429 585 Q N 2.568 122.371 119.800 0.005 0.000 2.386 585 Q HA 0.416 4.756 4.340 -0.001 0.000 0.282 585 Q C -0.001 176.000 176.000 0.003 0.000 1.050 585 Q CA -0.042 55.763 55.803 0.003 0.000 0.918 585 Q CB 1.175 29.915 28.738 0.003 0.000 1.266 585 Q HN 0.586 nan 8.270 nan 0.000 0.423 586 S N 0.135 115.835 115.700 0.000 0.000 2.694 586 S HA 0.340 4.809 4.470 -0.001 0.000 0.273 586 S C 0.408 175.006 174.600 -0.002 0.000 1.180 586 S CA -0.336 57.864 58.200 -0.000 0.000 0.864 586 S CB 0.069 63.270 63.200 0.001 0.000 1.198 586 S HN 0.958 nan 8.310 nan 0.000 0.499 587 S N 1.172 116.871 115.700 -0.003 0.000 2.419 587 S HA -0.105 4.365 4.470 -0.001 0.000 0.233 587 S C 1.188 175.786 174.600 -0.004 0.000 1.016 587 S CA 1.292 59.489 58.200 -0.004 0.000 0.974 587 S CB -0.869 62.329 63.200 -0.004 0.000 0.786 587 S HN 0.639 nan 8.310 nan 0.000 0.492 588 N N 1.217 119.916 118.700 -0.002 0.000 2.395 588 N HA 0.092 4.831 4.740 -0.001 0.000 0.175 588 N C -0.116 175.392 175.510 -0.003 0.000 1.029 588 N CA 0.756 53.805 53.050 -0.002 0.000 0.897 588 N CB 0.043 38.529 38.487 -0.002 0.000 0.991 588 N HN 0.385 nan 8.380 nan 0.000 0.441 589 T N 0.391 114.944 114.554 -0.002 0.000 2.841 589 T HA 0.619 4.969 4.350 -0.001 0.000 0.283 589 T C -0.466 174.233 174.700 -0.003 0.000 1.000 589 T CA -0.746 61.353 62.100 -0.002 0.000 0.977 589 T CB 2.461 71.329 68.868 -0.001 0.000 0.979 589 T HN 0.090 nan 8.240 nan 0.000 0.446 590 A N 4.738 127.556 122.820 -0.003 0.000 2.331 590 A HA 0.673 4.992 4.320 -0.001 0.000 0.283 590 A C -2.241 175.342 177.584 -0.003 0.000 1.142 590 A CA -1.663 50.372 52.037 -0.004 0.000 0.812 590 A CB -0.183 18.814 19.000 -0.005 0.000 1.074 590 A HN 0.558 nan 8.150 nan 0.000 0.497 591 P HA 0.109 nan 4.420 nan 0.000 0.264 591 P C -0.391 176.908 177.300 -0.002 0.000 1.193 591 P CA 0.496 63.596 63.100 -0.001 0.000 0.763 591 P CB 0.416 32.116 31.700 -0.000 0.000 0.810 592 T N 2.248 116.802 114.554 -0.001 0.000 2.855 592 T HA 0.419 4.769 4.350 -0.001 0.000 0.281 592 T C 0.031 174.730 174.700 -0.001 0.000 1.007 592 T CA -0.280 61.819 62.100 -0.002 0.000 1.009 592 T CB 1.185 70.052 68.868 -0.003 0.000 0.983 592 T HN 0.232 nan 8.240 nan 0.000 0.455 593 T N 3.112 117.665 114.554 -0.003 0.000 2.856 593 T HA 0.558 4.907 4.350 -0.001 0.000 0.283 593 T C -0.477 174.221 174.700 -0.004 0.000 1.008 593 T CA -0.767 61.332 62.100 -0.002 0.000 0.997 593 T CB 1.087 69.953 68.868 -0.004 0.000 0.992 593 T HN 0.266 nan 8.240 nan 0.000 0.454 594 R N 2.134 122.634 120.500 -0.000 0.000 2.480 594 R HA 0.363 4.702 4.340 -0.001 0.000 0.306 594 R C -0.930 175.371 176.300 0.003 0.000 0.958 594 R CA -0.472 55.627 56.100 -0.002 0.000 0.861 594 R CB 1.379 31.679 30.300 -0.000 0.000 1.171 594 R HN 0.616 nan 8.270 nan 0.000 0.445 595 T N 3.676 118.227 114.554 -0.005 0.000 2.738 595 T HA 0.054 4.403 4.350 -0.001 0.000 0.293 595 T C 0.045 174.749 174.700 0.006 0.000 0.913 595 T CA -0.054 62.045 62.100 -0.001 0.000 1.103 595 T CB 0.539 69.398 68.868 -0.016 0.000 0.880 595 T HN 0.351 nan 8.240 nan 0.000 0.526 596 V N 5.472 125.409 119.914 0.038 0.000 2.455 596 V HA 0.222 4.341 4.120 -0.001 0.000 0.273 596 V C 0.569 176.682 176.094 0.032 0.000 1.045 596 V CA -0.158 62.168 62.300 0.043 0.000 0.976 596 V CB 0.442 32.328 31.823 0.106 0.000 0.993 596 V HN 0.804 nan 8.190 nan 0.000 0.475 597 N N 4.344 123.023 118.700 -0.035 0.000 2.294 597 N HA 0.158 4.897 4.740 -0.001 0.000 0.186 597 N C -0.428 175.002 175.510 -0.133 0.000 1.107 597 N CA 0.185 53.190 53.050 -0.076 0.000 0.884 597 N CB 0.601 39.022 38.487 -0.110 0.000 1.030 597 N HN 0.810 nan 8.380 nan 0.000 0.482 598 D N 0.590 120.909 120.400 -0.135 0.000 2.855 598 D HA 0.195 4.834 4.640 -0.001 0.000 0.241 598 D C -1.509 174.677 176.300 -0.191 0.000 1.277 598 D CA -0.363 53.548 54.000 -0.147 0.000 0.918 598 D CB 1.420 42.155 40.800 -0.108 0.000 1.462 598 D HN -0.256 nan 8.370 nan 0.000 0.559 599 Q N 2.740 122.365 119.800 -0.292 0.000 2.309 599 Q HA 0.652 4.992 4.340 -0.001 0.000 0.270 599 Q C 0.101 175.922 176.000 -0.298 0.000 1.023 599 Q CA -0.740 54.816 55.803 -0.413 0.000 0.758 599 Q CB 1.634 29.787 28.738 -0.975 0.000 1.247 599 Q HN 0.525 nan 8.270 nan 0.000 0.455 600 G N 2.072 110.741 108.800 -0.219 0.000 2.479 600 G HA2 0.463 4.423 3.960 -0.001 0.000 0.275 600 G HA3 0.463 4.423 3.960 -0.001 0.000 0.275 600 G C -0.477 174.277 174.900 -0.244 0.000 1.421 600 G CA -0.091 44.876 45.100 -0.222 0.000 1.059 600 G HN 0.828 nan 8.290 nan 0.000 0.535 601 A N -1.509 121.157 122.820 -0.257 0.000 2.304 601 A HA 0.715 5.035 4.320 -0.001 0.000 0.271 601 A C -0.404 177.157 177.584 -0.037 0.000 1.091 601 A CA -0.217 51.707 52.037 -0.189 0.000 0.812 601 A CB 0.497 19.332 19.000 -0.274 0.000 1.056 601 A HN 0.574 nan 8.150 nan 0.000 0.489 602 L N 0.889 122.152 121.223 0.068 0.000 2.482 602 L HA 0.361 4.701 4.340 -0.001 0.000 0.263 602 L C -2.587 174.387 176.870 0.173 0.000 0.957 602 L CA -1.848 53.055 54.840 0.105 0.000 0.836 602 L CB 2.645 44.763 42.059 0.098 0.000 1.324 602 L HN 0.429 nan 8.230 nan 0.000 0.406 603 P HA 0.164 nan 4.420 nan 0.000 0.259 603 P C 0.671 178.078 177.300 0.178 0.000 1.211 603 P CA 0.685 63.883 63.100 0.163 0.000 0.810 603 P CB 0.453 32.221 31.700 0.113 0.000 0.815 604 G N 2.365 111.317 108.800 0.254 0.000 2.227 604 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.168 604 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.168 604 G C 0.132 175.266 174.900 0.390 0.000 1.006 604 G CA -0.605 44.693 45.100 0.329 0.000 0.684 604 G HN 0.398 nan 8.290 nan 0.000 0.489 605 M N 1.338 121.146 119.600 0.347 0.000 2.233 605 M HA 0.521 5.001 4.480 -0.001 0.000 0.350 605 M C 0.471 177.002 176.300 0.386 0.000 1.176 605 M CA -0.211 55.317 55.300 0.380 0.000 1.150 605 M CB 1.541 34.378 32.600 0.395 0.000 1.530 605 M HN 0.481 nan 8.290 nan 0.000 0.459 606 V N 0.858 120.957 119.914 0.307 0.000 2.686 606 V HA 0.835 4.955 4.120 -0.001 0.000 0.306 606 V C -1.608 174.608 176.094 0.203 0.000 1.065 606 V CA -0.679 61.667 62.300 0.077 0.000 0.894 606 V CB 1.207 32.940 31.823 -0.151 0.000 1.004 606 V HN 1.076 nan 8.190 nan 0.000 0.424 607 W N 2.456 123.733 121.300 -0.038 0.000 3.029 607 W HA 0.886 5.546 4.660 -0.001 0.000 0.339 607 W C -1.018 175.481 176.519 -0.034 0.000 1.198 607 W CA -1.064 56.263 57.345 -0.031 0.000 1.148 607 W CB 1.774 31.221 29.460 -0.020 0.000 1.451 607 W HN 0.685 nan 8.180 nan 0.000 0.564 608 Q N 1.965 121.871 119.800 0.176 0.000 2.274 608 Q HA 0.308 4.648 4.340 -0.001 0.000 0.260 608 Q C -0.402 175.717 176.000 0.198 0.000 0.974 608 Q CA -0.265 55.584 55.803 0.076 0.000 0.876 608 Q CB 1.324 30.090 28.738 0.047 0.000 1.297 608 Q HN 0.410 nan 8.270 nan 0.000 0.446 609 D N 1.056 121.541 120.400 0.141 0.000 2.414 609 D HA 0.205 4.844 4.640 -0.001 0.000 0.259 609 D C 0.484 176.873 176.300 0.149 0.000 1.269 609 D CA -0.194 53.933 54.000 0.211 0.000 1.028 609 D CB 0.603 41.538 40.800 0.225 0.000 1.093 609 D HN 0.464 nan 8.370 nan 0.000 0.545 610 R N -0.301 120.304 120.500 0.175 0.000 3.213 610 R HA 0.245 4.585 4.340 -0.001 0.000 0.188 610 R C -0.267 176.142 176.300 0.181 0.000 0.931 610 R CA 0.080 56.283 56.100 0.172 0.000 1.218 610 R CB 0.025 30.440 30.300 0.190 0.000 0.742 610 R HN 0.424 nan 8.270 nan 0.000 0.484 611 D N -0.841 119.655 120.400 0.161 0.000 2.581 611 D HA 0.318 4.957 4.640 -0.001 0.000 0.232 611 D C -1.631 174.555 176.300 -0.190 0.000 1.143 611 D CA -0.557 53.458 54.000 0.025 0.000 0.881 611 D CB 1.983 42.683 40.800 -0.166 0.000 1.500 611 D HN 0.243 nan 8.370 nan 0.000 0.458 612 V N 0.161 119.829 119.914 -0.409 0.000 2.483 612 V HA 0.693 4.813 4.120 -0.001 0.000 0.295 612 V C -1.078 174.841 176.094 -0.292 0.000 1.035 612 V CA -0.491 61.658 62.300 -0.252 0.000 0.896 612 V CB 0.757 32.395 31.823 -0.309 0.000 0.986 612 V HN 0.439 nan 8.190 nan 0.000 0.447 613 Y N 2.721 123.129 120.300 0.179 0.000 2.549 613 Y HA 0.580 5.130 4.550 -0.001 0.000 0.339 613 Y C 0.859 176.588 175.900 -0.285 0.000 1.053 613 Y CA -1.075 57.081 58.100 0.094 0.000 1.105 613 Y CB 1.515 40.062 38.460 0.145 0.000 1.258 613 Y HN 0.587 nan 8.280 nan 0.000 0.478 614 L N 1.411 122.284 121.223 -0.584 0.000 2.211 614 L HA -0.243 4.097 4.340 -0.001 0.000 0.216 614 L C 1.710 178.360 176.870 -0.366 0.000 1.092 614 L CA 2.050 56.190 54.840 -1.166 0.000 0.767 614 L CB -0.439 41.005 42.059 -1.026 0.000 0.894 614 L HN 0.825 nan 8.230 nan 0.000 0.437 615 Q N -1.384 118.304 119.800 -0.187 0.000 2.179 615 Q HA 0.304 4.644 4.340 -0.001 0.000 0.213 615 Q C 0.663 176.683 176.000 0.032 0.000 0.833 615 Q CA 0.375 56.166 55.803 -0.020 0.000 0.990 615 Q CB -0.304 28.281 28.738 -0.255 0.000 1.132 615 Q HN 0.363 nan 8.270 nan 0.000 0.493 616 G N 2.280 111.236 108.800 0.259 0.000 2.547 616 G HA2 0.478 4.437 3.960 -0.001 0.000 0.291 616 G HA3 0.478 4.437 3.960 -0.001 0.000 0.291 616 G C -2.717 172.376 174.900 0.320 0.000 1.211 616 G CA -1.251 44.140 45.100 0.486 0.000 0.950 616 G HN 0.059 nan 8.290 nan 0.000 0.504 617 P HA 0.185 nan 4.420 nan 0.000 0.270 617 P C 0.434 177.700 177.300 -0.056 0.000 1.223 617 P CA -0.153 62.948 63.100 0.003 0.000 0.785 617 P CB 1.012 32.723 31.700 0.019 0.000 0.923 618 I N -1.061 119.337 120.570 -0.287 0.000 2.900 618 I HA 0.182 4.352 4.170 -0.001 0.000 0.251 618 I C 0.677 176.981 176.117 0.313 0.000 1.102 618 I CA 0.554 61.746 61.300 -0.179 0.000 1.457 618 I CB -0.298 37.643 38.000 -0.099 0.000 1.285 618 I HN 0.445 nan 8.210 nan 0.000 0.459 619 W N 1.053 122.472 121.300 0.198 0.000 3.207 619 W HA 0.827 5.487 4.660 -0.000 0.000 0.326 619 W C -1.200 175.431 176.519 0.187 0.000 1.190 619 W CA -1.218 56.279 57.345 0.254 0.000 1.011 619 W CB 0.822 30.473 29.460 0.317 0.000 1.511 619 W HN -0.068 nan 8.180 nan 0.000 0.606 620 A N 1.328 124.429 122.820 0.469 0.000 2.555 620 A HA 0.450 4.770 4.320 -0.001 0.000 0.297 620 A C -1.555 176.175 177.584 0.243 0.000 1.060 620 A CA -1.092 51.119 52.037 0.289 0.000 0.710 620 A CB 1.471 20.567 19.000 0.159 0.000 1.282 620 A HN 0.699 nan 8.150 nan 0.000 0.399 621 K N 3.538 124.029 120.400 0.151 0.000 2.315 621 K HA 0.366 4.685 4.320 -0.001 0.000 0.291 621 K C -0.484 176.065 176.600 -0.085 0.000 1.074 621 K CA -0.274 55.942 56.287 -0.119 0.000 0.936 621 K CB -0.236 31.975 32.500 -0.481 0.000 1.049 621 K HN 0.616 nan 8.250 nan 0.000 0.471 622 I N 7.580 128.075 120.570 -0.125 0.000 2.742 622 I HA -0.042 4.127 4.170 -0.001 0.000 0.287 622 I C -1.780 174.248 176.117 -0.148 0.000 1.186 622 I CA -1.577 59.627 61.300 -0.160 0.000 1.417 622 I CB 0.099 37.925 38.000 -0.291 0.000 1.377 622 I HN 0.473 nan 8.210 nan 0.000 0.556 623 P HA -0.094 nan 4.420 nan 0.000 0.265 623 P C -0.541 176.821 177.300 0.103 0.000 1.187 623 P CA 0.165 63.292 63.100 0.046 0.000 0.766 623 P CB 0.282 32.036 31.700 0.090 0.000 0.820 624 H N 1.780 120.869 119.070 0.032 0.000 2.982 624 H HA 0.270 4.826 4.556 -0.001 0.000 0.261 624 H C 0.250 175.634 175.328 0.092 0.000 1.603 624 H CA 0.011 56.095 56.048 0.060 0.000 1.398 624 H CB -0.545 29.218 29.762 0.001 0.000 1.693 624 H HN 0.322 nan 8.280 nan 0.000 0.535 625 T N -0.677 113.888 114.554 0.018 0.000 2.870 625 T HA 0.148 4.497 4.350 -0.001 0.000 0.277 625 T C 1.004 175.561 174.700 -0.239 0.000 1.000 625 T CA -0.900 61.161 62.100 -0.065 0.000 0.982 625 T CB 1.172 70.018 68.868 -0.037 0.000 1.249 625 T HN 0.232 nan 8.240 nan 0.000 0.589 626 D N 0.419 120.706 120.400 -0.188 0.000 2.224 626 D HA 0.199 4.839 4.640 -0.001 0.000 0.205 626 D C 0.879 176.994 176.300 -0.309 0.000 0.965 626 D CA 1.099 54.983 54.000 -0.195 0.000 0.852 626 D CB -0.167 40.571 40.800 -0.103 0.000 0.947 626 D HN 0.826 nan 8.370 nan 0.000 0.494 627 G N -0.643 107.892 108.800 -0.443 0.000 2.746 627 G HA2 0.496 4.456 3.960 -0.001 0.000 0.297 627 G HA3 0.496 4.456 3.960 -0.001 0.000 0.297 627 G C -1.339 173.205 174.900 -0.593 0.000 1.426 627 G CA -0.688 44.125 45.100 -0.479 0.000 0.989 627 G HN 0.027 nan 8.290 nan 0.000 0.520 628 H N 1.324 120.407 119.070 0.021 0.000 2.928 628 H HA 0.512 5.067 4.556 -0.001 0.000 0.371 628 H C -0.429 174.979 175.328 0.133 0.000 1.186 628 H CA -0.685 55.397 56.048 0.057 0.000 1.134 628 H CB 2.525 32.295 29.762 0.013 0.000 1.824 628 H HN 0.409 nan 8.280 nan 0.000 0.554 629 F N 0.848 120.891 119.950 0.154 0.000 2.324 629 F HA 0.092 4.619 4.527 -0.001 0.000 0.260 629 F C 0.830 176.767 175.800 0.227 0.000 1.073 629 F CA 0.691 58.781 58.000 0.150 0.000 1.073 629 F CB 0.345 39.409 39.000 0.106 0.000 1.114 629 F HN 0.514 nan 8.300 nan 0.000 0.588 630 H N 1.956 121.039 119.070 0.022 0.000 2.439 630 H HA 0.345 4.901 4.556 -0.001 0.000 0.239 630 H C -2.384 173.027 175.328 0.138 0.000 1.432 630 H CA -2.147 53.892 56.048 -0.014 0.000 1.373 630 H CB 0.238 30.112 29.762 0.186 0.000 1.463 630 H HN 0.068 nan 8.280 nan 0.000 0.530 631 P HA -0.009 nan 4.420 nan 0.000 0.235 631 P C -0.380 176.916 177.300 -0.007 0.000 1.670 631 P CA 0.323 63.415 63.100 -0.012 0.000 1.017 631 P CB -0.336 31.288 31.700 -0.127 0.000 1.945 632 S N 1.898 117.663 115.700 0.108 0.000 2.437 632 S HA 0.502 4.972 4.470 -0.001 0.000 0.305 632 S C -2.498 172.193 174.600 0.152 0.000 1.109 632 S CA -2.107 56.181 58.200 0.146 0.000 1.099 632 S CB 0.270 63.630 63.200 0.267 0.000 1.004 632 S HN -0.025 nan 8.310 nan 0.000 0.475 633 P HA 0.033 nan 4.420 nan 0.000 0.258 633 P C 0.720 178.091 177.300 0.120 0.000 1.172 633 P CA 0.205 63.373 63.100 0.113 0.000 0.762 633 P CB 0.282 32.049 31.700 0.112 0.000 0.764 634 L N 2.441 123.728 121.223 0.107 0.000 2.127 634 L HA -0.166 4.173 4.340 -0.001 0.000 0.211 634 L C 2.065 179.003 176.870 0.112 0.000 1.089 634 L CA 1.568 56.472 54.840 0.107 0.000 0.757 634 L CB -0.415 41.693 42.059 0.082 0.000 0.899 634 L HN 0.489 nan 8.230 nan 0.000 0.434 635 M N -0.861 118.800 119.600 0.103 0.000 2.619 635 M HA 0.141 4.620 4.480 -0.001 0.000 0.251 635 M C 0.725 177.112 176.300 0.144 0.000 1.106 635 M CA 0.502 55.867 55.300 0.109 0.000 1.086 635 M CB -0.017 32.631 32.600 0.080 0.000 1.465 635 M HN 0.336 nan 8.290 nan 0.000 0.506 636 G N -0.141 108.738 108.800 0.131 0.000 2.674 636 G HA2 0.291 4.251 3.960 -0.001 0.000 0.686 636 G HA3 0.291 4.251 3.960 -0.001 0.000 0.686 636 G C -0.367 174.578 174.900 0.074 0.000 1.195 636 G CA -0.629 44.543 45.100 0.119 0.000 0.776 636 G HN 0.732 nan 8.290 nan 0.000 0.654 637 G N -0.551 108.224 108.800 -0.043 0.000 2.297 637 G HA2 0.451 4.411 3.960 -0.001 0.000 0.209 637 G HA3 0.451 4.411 3.960 -0.001 0.000 0.209 637 G C -0.649 174.079 174.900 -0.287 0.000 1.267 637 G CA -0.080 44.905 45.100 -0.191 0.000 1.127 637 G HN 1.625 nan 8.290 nan 0.000 0.498 638 F N 1.967 122.058 119.950 0.234 0.000 2.388 638 F HA 0.568 5.095 4.527 -0.001 0.000 0.358 638 F C 1.132 177.044 175.800 0.188 0.000 1.122 638 F CA 0.070 58.181 58.000 0.185 0.000 1.056 638 F CB 2.013 41.113 39.000 0.166 0.000 1.155 638 F HN 0.712 nan 8.300 nan 0.000 0.461 639 G N 5.184 114.139 108.800 0.258 0.000 2.360 639 G HA2 0.514 4.474 3.960 -0.001 0.000 0.279 639 G HA3 0.514 4.474 3.960 -0.001 0.000 0.279 639 G C -0.819 174.152 174.900 0.117 0.000 1.189 639 G CA -0.416 44.775 45.100 0.151 0.000 0.941 639 G HN 0.579 nan 8.290 nan 0.000 0.445 640 L N 3.119 124.403 121.223 0.101 0.000 2.356 640 L HA 0.360 4.699 4.340 -0.001 0.000 0.277 640 L C 1.157 177.947 176.870 -0.133 0.000 0.996 640 L CA -1.114 53.749 54.840 0.038 0.000 0.822 640 L CB 2.216 44.350 42.059 0.125 0.000 1.256 640 L HN 0.425 nan 8.230 nan 0.000 0.413 641 K N 1.038 121.314 120.400 -0.208 0.000 2.026 641 K HA -0.034 4.285 4.320 -0.001 0.000 0.208 641 K C 0.324 176.468 176.600 -0.760 0.000 1.048 641 K CA 1.351 57.357 56.287 -0.469 0.000 0.929 641 K CB 0.044 32.267 32.500 -0.461 0.000 0.713 641 K HN 0.541 nan 8.250 nan 0.000 0.439 642 H N 0.584 119.529 119.070 -0.208 0.000 2.645 642 H HA 0.312 4.867 4.556 -0.001 0.000 0.257 642 H C -2.414 172.915 175.328 0.001 0.000 1.269 642 H CA -2.229 53.667 56.048 -0.253 0.000 1.409 642 H CB 1.148 30.908 29.762 -0.004 0.000 1.434 642 H HN 0.058 nan 8.280 nan 0.000 0.505 643 P HA 0.195 nan 4.420 nan 0.000 0.281 643 P C -2.647 174.447 177.300 -0.343 0.000 1.264 643 P CA -2.153 60.844 63.100 -0.172 0.000 0.824 643 P CB 0.269 31.894 31.700 -0.125 0.000 1.092 644 P HA -0.031 nan 4.420 nan 0.000 0.251 644 P C -2.007 175.097 177.300 -0.327 0.000 1.154 644 P CA -0.081 62.319 63.100 -1.167 0.000 0.805 644 P CB -1.277 29.736 31.700 -1.145 0.000 0.759 645 P HA -0.073 nan 4.420 nan 0.000 0.270 645 P C -0.307 176.862 177.300 -0.218 0.000 1.221 645 P CA 0.290 63.284 63.100 -0.176 0.000 0.788 645 P CB 0.657 32.129 31.700 -0.380 0.000 0.904 646 Q N 0.501 120.144 119.800 -0.262 0.000 2.286 646 Q HA 0.344 4.684 4.340 -0.001 0.000 0.257 646 Q C -0.458 175.202 176.000 -0.568 0.000 0.941 646 Q CA -0.385 55.175 55.803 -0.404 0.000 0.912 646 Q CB 0.291 28.742 28.738 -0.479 0.000 1.192 646 Q HN 0.314 nan 8.270 nan 0.000 0.410 647 I N 3.111 123.380 120.570 -0.501 0.000 2.307 647 I HA 0.199 4.369 4.170 -0.001 0.000 0.289 647 I C -0.419 175.452 176.117 -0.410 0.000 1.021 647 I CA -0.149 60.810 61.300 -0.569 0.000 1.224 647 I CB 0.807 38.405 38.000 -0.670 0.000 1.376 647 I HN 0.499 nan 8.210 nan 0.000 0.470 648 M N 6.646 125.838 119.600 -0.680 0.000 2.359 648 M HA 0.609 5.089 4.480 -0.001 0.000 0.322 648 M C -0.739 175.526 176.300 -0.058 0.000 1.166 648 M CA -0.355 54.662 55.300 -0.472 0.000 1.067 648 M CB 1.440 33.410 32.600 -1.051 0.000 1.523 648 M HN 0.494 nan 8.290 nan 0.000 0.467 649 I N 2.256 122.959 120.570 0.223 0.000 2.775 649 I HA 0.684 4.854 4.170 -0.001 0.000 0.295 649 I C -1.844 174.302 176.117 0.049 0.000 1.287 649 I CA -0.234 61.148 61.300 0.138 0.000 1.029 649 I CB 1.696 39.658 38.000 -0.063 0.000 1.282 649 I HN 0.683 nan 8.210 nan 0.000 0.426 650 K N 3.456 123.734 120.400 -0.203 0.000 2.598 650 K HA 0.548 4.868 4.320 -0.001 0.000 0.271 650 K C -2.012 174.411 176.600 -0.295 0.000 0.947 650 K CA -0.698 55.338 56.287 -0.419 0.000 0.854 650 K CB 0.609 32.427 32.500 -1.137 0.000 1.401 650 K HN 0.327 nan 8.250 nan 0.000 0.415 651 N N 1.189 119.781 118.700 -0.179 0.000 2.442 651 N HA 0.178 4.917 4.740 -0.001 0.000 0.265 651 N C -0.870 174.563 175.510 -0.128 0.000 1.138 651 N CA -0.318 52.678 53.050 -0.090 0.000 0.956 651 N CB 1.089 39.571 38.487 -0.009 0.000 1.067 651 N HN 0.655 nan 8.380 nan 0.000 0.474 652 T N 4.067 118.547 114.554 -0.122 0.000 2.829 652 T HA 0.100 4.450 4.350 -0.001 0.000 0.293 652 T C -2.188 172.391 174.700 -0.203 0.000 0.970 652 T CA -0.594 61.416 62.100 -0.151 0.000 1.168 652 T CB 0.074 68.888 68.868 -0.090 0.000 0.911 652 T HN 0.285 nan 8.240 nan 0.000 0.535 653 P HA 0.137 nan 4.420 nan 0.000 0.263 653 P C -0.821 176.259 177.300 -0.367 0.000 1.195 653 P CA -0.142 62.494 63.100 -0.773 0.000 0.762 653 P CB 0.379 31.419 31.700 -1.101 0.000 0.799 654 V N 7.249 127.047 119.914 -0.194 0.000 2.334 654 V HA 0.266 4.386 4.120 -0.001 0.000 0.281 654 V C -2.111 174.113 176.094 0.217 0.000 1.016 654 V CA -2.159 60.147 62.300 0.011 0.000 0.832 654 V CB 1.460 33.299 31.823 0.027 0.000 0.999 654 V HN 0.454 nan 8.190 nan 0.000 0.439 655 P HA 0.138 nan 4.420 nan 0.000 0.263 655 P C 0.238 177.629 177.300 0.151 0.000 1.195 655 P CA 0.458 63.626 63.100 0.114 0.000 0.762 655 P CB 0.685 32.199 31.700 -0.310 0.000 0.799 656 A N 4.370 127.321 122.820 0.218 0.000 2.404 656 A HA 0.034 4.354 4.320 -0.001 0.000 0.258 656 A C 0.725 178.402 177.584 0.155 0.000 1.644 656 A CA -0.054 52.076 52.037 0.155 0.000 0.847 656 A CB -0.349 18.720 19.000 0.114 0.000 1.473 656 A HN 0.596 nan 8.150 nan 0.000 0.602 657 N N 0.803 119.566 118.700 0.105 0.000 2.470 657 N HA 0.299 5.039 4.740 -0.001 0.000 0.268 657 N C -2.604 172.974 175.510 0.115 0.000 1.136 657 N CA -0.882 52.223 53.050 0.091 0.000 0.961 657 N CB 0.308 38.824 38.487 0.048 0.000 1.067 657 N HN 0.236 nan 8.380 nan 0.000 0.468 658 P HA 0.487 nan 4.420 nan 0.000 0.287 658 P C -2.632 174.714 177.300 0.077 0.000 1.270 658 P CA -1.252 61.949 63.100 0.169 0.000 0.844 658 P CB 0.289 32.122 31.700 0.221 0.000 1.068 659 P HA 0.229 nan 4.420 nan 0.000 0.277 659 P C 0.530 177.862 177.300 0.052 0.000 1.240 659 P CA -0.203 62.911 63.100 0.023 0.000 0.798 659 P CB 0.334 32.025 31.700 -0.015 0.000 0.979 660 T N -1.234 113.346 114.554 0.042 0.000 3.035 660 T HA -0.028 4.322 4.350 -0.001 0.000 0.268 660 T C 0.911 175.652 174.700 0.069 0.000 1.109 660 T CA 1.241 63.372 62.100 0.052 0.000 1.119 660 T CB -0.203 68.687 68.868 0.037 0.000 0.900 660 T HN 0.477 nan 8.240 nan 0.000 0.503 661 T N 1.030 115.622 114.554 0.063 0.000 2.867 661 T HA 0.486 4.835 4.350 -0.001 0.000 0.282 661 T C -0.740 174.033 174.700 0.123 0.000 1.000 661 T CA -0.971 61.181 62.100 0.087 0.000 1.042 661 T CB 0.257 69.155 68.868 0.051 0.000 0.973 661 T HN 0.132 nan 8.240 nan 0.000 0.465 662 F N 4.249 124.212 119.950 0.021 0.000 2.484 662 F HA 0.494 5.021 4.527 -0.001 0.000 0.360 662 F C 0.331 176.144 175.800 0.023 0.000 1.101 662 F CA -0.049 57.968 58.000 0.029 0.000 1.251 662 F CB 0.644 39.662 39.000 0.029 0.000 1.132 662 F HN 0.448 nan 8.300 nan 0.000 0.570 663 S N 6.928 122.121 115.700 -0.844 0.000 2.605 663 S HA 0.509 4.979 4.470 -0.001 0.000 0.308 663 S C -1.904 172.141 174.600 -0.925 0.000 1.113 663 S CA -1.283 56.498 58.200 -0.699 0.000 1.049 663 S CB 1.407 64.405 63.200 -0.337 0.000 1.001 663 S HN 0.532 nan 8.310 nan 0.000 0.480 664 P HA 0.223 nan 4.420 nan 0.000 0.236 664 P C 0.167 177.375 177.300 -0.154 0.000 1.177 664 P CA 0.150 63.050 63.100 -0.333 0.000 0.773 664 P CB -0.042 31.590 31.700 -0.113 0.000 0.878 665 A N 0.910 123.627 122.820 -0.171 0.000 2.531 665 A HA 0.028 4.347 4.320 -0.001 0.000 0.236 665 A C 0.579 178.131 177.584 -0.053 0.000 1.062 665 A CA -0.211 51.766 52.037 -0.100 0.000 0.760 665 A CB -0.305 18.619 19.000 -0.127 0.000 0.995 665 A HN 0.066 nan 8.150 nan 0.000 0.501 666 K N 1.663 122.065 120.400 0.003 0.000 2.524 666 K HA 0.016 4.336 4.320 -0.001 0.000 0.279 666 K C -0.825 175.809 176.600 0.056 0.000 0.993 666 K CA 0.235 56.567 56.287 0.074 0.000 1.030 666 K CB 0.057 32.612 32.500 0.093 0.000 0.891 666 K HN 0.497 nan 8.250 nan 0.000 0.488 667 F N 2.987 122.939 119.950 0.003 0.000 2.456 667 F HA 0.244 4.771 4.527 -0.001 0.000 0.358 667 F C 0.707 176.422 175.800 -0.141 0.000 1.095 667 F CA 0.764 58.704 58.000 -0.099 0.000 1.216 667 F CB 1.214 40.167 39.000 -0.077 0.000 1.125 667 F HN 0.681 nan 8.300 nan 0.000 0.549 668 A N 3.069 125.684 122.820 -0.342 0.000 2.704 668 A HA 0.181 4.500 4.320 -0.001 0.000 0.260 668 A C 0.130 177.476 177.584 -0.397 0.000 1.144 668 A CA 0.025 51.943 52.037 -0.198 0.000 0.985 668 A CB -0.122 18.863 19.000 -0.025 0.000 1.256 668 A HN 0.480 nan 8.150 nan 0.000 0.598 669 S N 0.714 116.009 115.700 -0.675 0.000 2.466 669 S HA 0.712 5.182 4.470 -0.001 0.000 0.313 669 S C -0.952 173.453 174.600 -0.326 0.000 1.078 669 S CA -0.338 57.626 58.200 -0.393 0.000 1.115 669 S CB -0.542 62.447 63.200 -0.350 0.000 1.006 669 S HN 0.202 nan 8.310 nan 0.000 0.487 670 F N 3.052 123.130 119.950 0.213 0.000 2.556 670 F HA 0.571 5.098 4.527 -0.001 0.000 0.327 670 F C 0.439 176.327 175.800 0.146 0.000 1.059 670 F CA -1.277 56.840 58.000 0.195 0.000 0.953 670 F CB 1.196 40.321 39.000 0.209 0.000 1.227 670 F HN 0.283 nan 8.300 nan 0.000 0.478 671 I N 1.502 122.266 120.570 0.322 0.000 2.471 671 I HA 0.113 4.282 4.170 -0.001 0.000 0.286 671 I C 0.348 176.589 176.117 0.207 0.000 1.079 671 I CA -0.359 61.061 61.300 0.200 0.000 1.398 671 I CB 0.910 38.991 38.000 0.135 0.000 1.403 671 I HN 0.604 nan 8.210 nan 0.000 0.530 672 T N 4.489 119.137 114.554 0.157 0.000 2.814 672 T HA 0.396 4.746 4.350 -0.001 0.000 0.297 672 T C -0.381 174.390 174.700 0.118 0.000 0.956 672 T CA -0.640 61.539 62.100 0.132 0.000 1.123 672 T CB 0.769 69.694 68.868 0.094 0.000 0.902 672 T HN 0.731 nan 8.240 nan 0.000 0.528 673 Q N 2.304 122.176 119.800 0.119 0.000 2.472 673 Q HA 0.563 4.903 4.340 -0.001 0.000 0.281 673 Q C -1.774 174.305 176.000 0.132 0.000 0.997 673 Q CA -1.355 54.506 55.803 0.097 0.000 0.828 673 Q CB 1.493 30.249 28.738 0.030 0.000 1.443 673 Q HN 0.863 nan 8.270 nan 0.000 0.390 674 Y N -1.144 119.147 120.300 -0.015 0.000 2.545 674 Y HA 0.837 5.386 4.550 -0.001 0.000 0.348 674 Y C -0.846 175.059 175.900 0.008 0.000 1.002 674 Y CA -0.825 57.261 58.100 -0.022 0.000 1.039 674 Y CB 2.036 40.466 38.460 -0.050 0.000 1.271 674 Y HN 0.820 nan 8.280 nan 0.000 0.467 675 S N 1.065 116.824 115.700 0.099 0.000 2.621 675 S HA 0.849 5.319 4.470 -0.001 0.000 0.302 675 S C -0.651 174.035 174.600 0.143 0.000 1.093 675 S CA -0.462 57.788 58.200 0.083 0.000 1.017 675 S CB 1.941 65.281 63.200 0.233 0.000 1.077 675 S HN 1.073 nan 8.310 nan 0.000 0.517 676 T N -0.456 114.003 114.554 -0.158 0.000 2.853 676 T HA 0.760 5.109 4.350 -0.001 0.000 0.311 676 T C -0.347 173.656 174.700 -1.161 0.000 1.307 676 T CA 0.269 61.949 62.100 -0.701 0.000 1.019 676 T CB 1.059 69.720 68.868 -0.344 0.000 1.264 676 T HN 1.736 nan 8.240 nan 0.000 0.497 677 G N 1.800 109.451 108.800 -1.916 0.000 2.325 677 G HA2 0.494 4.453 3.960 -0.001 0.000 0.295 677 G HA3 0.494 4.453 3.960 -0.001 0.000 0.295 677 G C -2.091 172.012 174.900 -1.329 0.000 1.274 677 G CA -0.665 43.694 45.100 -1.235 0.000 0.857 677 G HN 0.768 nan 8.290 nan 0.000 0.499 678 Q N -1.351 118.046 119.800 -0.672 0.000 2.248 678 Q HA 0.757 5.097 4.340 -0.001 0.000 0.263 678 Q C -0.570 175.211 176.000 -0.365 0.000 1.007 678 Q CA -0.729 54.720 55.803 -0.590 0.000 0.877 678 Q CB 2.539 30.788 28.738 -0.814 0.000 1.315 678 Q HN 0.972 nan 8.270 nan 0.000 0.454 679 V N 0.206 120.031 119.914 -0.147 0.000 2.841 679 V HA 0.830 4.950 4.120 -0.001 0.000 0.310 679 V C -1.595 174.397 176.094 -0.170 0.000 1.090 679 V CA -0.317 61.874 62.300 -0.181 0.000 0.930 679 V CB 2.344 34.116 31.823 -0.085 0.000 1.014 679 V HN 0.692 nan 8.190 nan 0.000 0.425 680 S N 4.306 119.893 115.700 -0.188 0.000 2.557 680 S HA 0.817 5.287 4.470 -0.001 0.000 0.291 680 S C -1.478 172.953 174.600 -0.281 0.000 1.116 680 S CA -0.453 57.665 58.200 -0.137 0.000 0.992 680 S CB 1.596 64.835 63.200 0.065 0.000 1.028 680 S HN 0.878 nan 8.310 nan 0.000 0.484 681 V N 4.954 124.733 119.914 -0.225 0.000 2.443 681 V HA 0.498 4.618 4.120 -0.001 0.000 0.293 681 V C -0.233 175.783 176.094 -0.129 0.000 1.021 681 V CA -0.650 61.513 62.300 -0.228 0.000 0.848 681 V CB 1.480 33.022 31.823 -0.468 0.000 0.998 681 V HN 0.902 nan 8.190 nan 0.000 0.424 682 E N 5.478 125.614 120.200 -0.107 0.000 2.151 682 E HA 0.651 5.001 4.350 -0.001 0.000 0.275 682 E C -1.423 175.127 176.600 -0.082 0.000 0.936 682 E CA -0.519 55.829 56.400 -0.086 0.000 0.777 682 E CB 1.422 31.057 29.700 -0.109 0.000 1.108 682 E HN 0.647 nan 8.360 nan 0.000 0.401 683 I N 3.530 124.056 120.570 -0.074 0.000 2.498 683 I HA 0.270 4.439 4.170 -0.001 0.000 0.290 683 I C -0.218 175.768 176.117 -0.219 0.000 1.032 683 I CA -0.802 60.398 61.300 -0.167 0.000 1.073 683 I CB 2.063 39.912 38.000 -0.250 0.000 1.251 683 I HN 0.554 nan 8.210 nan 0.000 0.426 684 E N 5.217 125.236 120.200 -0.301 0.000 2.231 684 E HA 0.373 4.723 4.350 -0.001 0.000 0.277 684 E C -1.935 174.424 176.600 -0.401 0.000 0.999 684 E CA -0.585 55.691 56.400 -0.207 0.000 0.827 684 E CB 1.305 30.933 29.700 -0.120 0.000 1.101 684 E HN 0.405 nan 8.360 nan 0.000 0.393 685 W N 2.735 124.025 121.300 -0.017 0.000 2.619 685 W HA 0.287 4.947 4.660 -0.001 0.000 0.327 685 W C -0.200 176.364 176.519 0.076 0.000 1.027 685 W CA -0.701 56.675 57.345 0.051 0.000 1.233 685 W CB 1.250 30.804 29.460 0.156 0.000 1.370 685 W HN 0.459 nan 8.180 nan 0.000 0.453 686 E N 3.252 123.601 120.200 0.247 0.000 2.331 686 E HA 0.473 4.823 4.350 -0.001 0.000 0.272 686 E C -0.900 175.978 176.600 0.464 0.000 1.036 686 E CA -0.284 56.271 56.400 0.257 0.000 0.864 686 E CB 0.823 30.599 29.700 0.125 0.000 1.035 686 E HN 0.461 nan 8.360 nan 0.000 0.408 687 L N 3.294 124.794 121.223 0.463 0.000 2.342 687 L HA 0.362 4.701 4.340 -0.001 0.000 0.271 687 L C -0.300 176.809 176.870 0.399 0.000 1.008 687 L CA -0.765 54.376 54.840 0.501 0.000 0.818 687 L CB 1.923 44.201 42.059 0.365 0.000 1.296 687 L HN 0.546 nan 8.230 nan 0.000 0.427 688 Q N 3.096 123.061 119.800 0.274 0.000 2.394 688 Q HA 0.251 4.591 4.340 -0.001 0.000 0.259 688 Q C -0.824 175.182 176.000 0.010 0.000 1.021 688 Q CA -0.786 54.981 55.803 -0.060 0.000 0.805 688 Q CB 1.164 29.620 28.738 -0.470 0.000 1.226 688 Q HN 0.342 nan 8.270 nan 0.000 0.476 689 K N 1.835 122.197 120.400 -0.062 0.000 2.230 689 K HA 0.050 4.370 4.320 -0.001 0.000 0.253 689 K C -0.099 176.244 176.600 -0.429 0.000 1.008 689 K CA -0.004 56.188 56.287 -0.159 0.000 0.910 689 K CB 0.658 33.074 32.500 -0.139 0.000 0.994 689 K HN 0.656 nan 8.250 nan 0.000 0.495 690 E N 1.984 121.817 120.200 -0.612 0.000 2.200 690 E HA 0.035 4.384 4.350 -0.001 0.000 0.283 690 E C -1.018 175.004 176.600 -0.963 0.000 1.015 690 E CA -0.206 55.413 56.400 -1.302 0.000 0.819 690 E CB 0.555 29.624 29.700 -1.051 0.000 1.081 690 E HN 0.356 nan 8.360 nan 0.000 0.397 691 N N 2.949 121.015 118.700 -1.058 0.000 2.762 691 N HA 0.115 4.855 4.740 -0.001 0.000 0.252 691 N C -1.841 173.568 175.510 -0.169 0.000 1.269 691 N CA -0.222 52.576 53.050 -0.419 0.000 0.799 691 N CB 0.969 39.319 38.487 -0.228 0.000 1.173 691 N HN 0.232 nan 8.380 nan 0.000 0.516 692 S N 1.104 116.713 115.700 -0.151 0.000 2.513 692 S HA 0.443 4.913 4.470 -0.001 0.000 0.299 692 S C 0.065 174.687 174.600 0.036 0.000 1.087 692 S CA -0.617 57.626 58.200 0.071 0.000 1.012 692 S CB 0.669 63.989 63.200 0.200 0.000 1.044 692 S HN 0.261 nan 8.310 nan 0.000 0.485 693 K N 2.367 122.815 120.400 0.080 0.000 2.493 693 K HA 0.155 4.475 4.320 -0.001 0.000 0.207 693 K C 0.271 176.946 176.600 0.126 0.000 1.033 693 K CA -0.263 56.075 56.287 0.084 0.000 1.161 693 K CB -0.136 32.415 32.500 0.085 0.000 0.873 693 K HN 0.555 nan 8.250 nan 0.000 0.491 694 R N 0.965 121.537 120.500 0.119 0.000 2.502 694 R HA -0.108 4.231 4.340 -0.001 0.000 0.292 694 R C 1.082 177.474 176.300 0.152 0.000 0.998 694 R CA 0.236 56.420 56.100 0.140 0.000 1.056 694 R CB 0.067 30.439 30.300 0.121 0.000 0.939 694 R HN 0.296 nan 8.270 nan 0.000 0.411 695 W N 5.831 127.146 121.300 0.024 0.000 2.452 695 W HA -0.091 4.568 4.660 -0.001 0.000 0.313 695 W C -0.102 176.426 176.519 0.015 0.000 1.176 695 W CA 1.126 58.480 57.345 0.015 0.000 1.350 695 W CB -0.230 29.238 29.460 0.013 0.000 1.148 695 W HN 0.755 nan 8.180 nan 0.000 0.498 696 N N 2.063 120.886 118.700 0.205 0.000 2.444 696 N HA 0.090 4.829 4.740 -0.001 0.000 0.255 696 N C -2.700 172.813 175.510 0.006 0.000 1.255 696 N CA -1.051 52.051 53.050 0.086 0.000 0.933 696 N CB -0.612 37.974 38.487 0.165 0.000 1.143 696 N HN -0.103 nan 8.380 nan 0.000 0.453 697 P HA 0.077 nan 4.420 nan 0.000 0.267 697 P C -0.197 177.121 177.300 0.029 0.000 1.200 697 P CA 0.270 63.361 63.100 -0.016 0.000 0.772 697 P CB 0.553 32.242 31.700 -0.019 0.000 0.855 698 E N 1.350 121.575 120.200 0.042 0.000 2.292 698 E HA 0.366 4.716 4.350 -0.001 0.000 0.258 698 E C 0.289 176.942 176.600 0.088 0.000 1.115 698 E CA -0.995 55.452 56.400 0.078 0.000 0.929 698 E CB 0.810 30.576 29.700 0.110 0.000 1.161 698 E HN 0.439 nan 8.360 nan 0.000 0.453 699 I N -1.206 119.434 120.570 0.116 0.000 2.519 699 I HA 0.198 4.368 4.170 -0.001 0.000 0.287 699 I C -0.350 175.927 176.117 0.267 0.000 1.047 699 I CA -0.486 60.904 61.300 0.151 0.000 1.381 699 I CB 0.653 38.723 38.000 0.117 0.000 1.417 699 I HN 0.169 nan 8.210 nan 0.000 0.540 700 Q N 4.677 124.628 119.800 0.251 0.000 2.394 700 Q HA 0.303 4.643 4.340 -0.001 0.000 0.273 700 Q C -1.406 174.732 176.000 0.229 0.000 1.089 700 Q CA -0.796 55.137 55.803 0.217 0.000 0.812 700 Q CB 2.823 31.604 28.738 0.071 0.000 1.353 700 Q HN 0.791 nan 8.270 nan 0.000 0.438 701 Y N 0.996 121.187 120.300 -0.182 0.000 2.346 701 Y HA 0.294 4.844 4.550 -0.001 0.000 0.330 701 Y C -0.115 175.764 175.900 -0.035 0.000 1.178 701 Y CA 0.866 58.873 58.100 -0.156 0.000 1.331 701 Y CB 0.988 39.122 38.460 -0.543 0.000 1.253 701 Y HN 0.616 nan 8.280 nan 0.000 0.529 702 T N 3.630 117.778 114.554 -0.676 0.000 2.840 702 T HA 0.433 4.782 4.350 -0.001 0.000 0.317 702 T C -1.240 173.224 174.700 -0.394 0.000 1.401 702 T CA -0.753 61.150 62.100 -0.328 0.000 1.028 702 T CB 0.868 69.663 68.868 -0.122 0.000 1.317 702 T HN 0.613 nan 8.240 nan 0.000 0.495 703 S N 2.047 117.693 115.700 -0.090 0.000 2.586 703 S HA 0.377 4.847 4.470 -0.001 0.000 0.274 703 S C 0.103 174.729 174.600 0.043 0.000 1.281 703 S CA -0.630 57.576 58.200 0.009 0.000 1.035 703 S CB 0.184 63.447 63.200 0.106 0.000 0.962 703 S HN 0.713 nan 8.310 nan 0.000 0.512 704 N N 1.930 120.659 118.700 0.048 0.000 2.427 704 N HA 0.054 4.794 4.740 -0.001 0.000 0.269 704 N C 0.649 176.205 175.510 0.077 0.000 1.235 704 N CA -0.126 52.965 53.050 0.068 0.000 0.934 704 N CB 0.171 38.660 38.487 0.002 0.000 1.121 704 N HN 0.755 nan 8.380 nan 0.000 0.480 705 Y N 1.095 121.393 120.300 -0.004 0.000 2.639 705 Y HA 0.079 4.629 4.550 -0.001 0.000 0.297 705 Y C 0.063 175.965 175.900 0.004 0.000 1.151 705 Y CA -0.514 57.588 58.100 0.003 0.000 1.335 705 Y CB -0.159 38.301 38.460 0.000 0.000 0.994 705 Y HN 0.313 nan 8.280 nan 0.000 0.548 706 N N 2.535 120.873 118.700 -0.603 0.000 2.415 706 N HA -0.032 4.708 4.740 -0.001 0.000 0.248 706 N C -0.496 174.876 175.510 -0.229 0.000 1.271 706 N CA -0.200 52.526 53.050 -0.539 0.000 0.913 706 N CB 0.514 38.746 38.487 -0.425 0.000 1.129 706 N HN 0.318 nan 8.380 nan 0.000 0.444 707 K N 0.556 120.851 120.400 -0.175 0.000 2.453 707 K HA 0.003 4.323 4.320 -0.001 0.000 0.280 707 K C -0.304 176.250 176.600 -0.077 0.000 1.045 707 K CA 0.361 56.593 56.287 -0.092 0.000 1.059 707 K CB 0.217 32.674 32.500 -0.071 0.000 0.901 707 K HN 0.453 nan 8.250 nan 0.000 0.475 708 S N 2.785 118.454 115.700 -0.052 0.000 2.599 708 S HA 0.328 4.798 4.470 -0.001 0.000 0.294 708 S C 0.843 175.424 174.600 -0.032 0.000 1.094 708 S CA -1.053 57.121 58.200 -0.043 0.000 0.931 708 S CB 1.581 64.760 63.200 -0.035 0.000 1.093 708 S HN 0.366 nan 8.310 nan 0.000 0.488 709 V N 3.233 123.126 119.914 -0.034 0.000 2.238 709 V HA -0.009 4.111 4.120 -0.001 0.000 0.235 709 V C 0.797 176.873 176.094 -0.029 0.000 1.037 709 V CA 1.485 63.766 62.300 -0.032 0.000 0.991 709 V CB -0.865 30.935 31.823 -0.037 0.000 0.638 709 V HN 0.836 nan 8.190 nan 0.000 0.457 710 N N -0.899 117.779 118.700 -0.036 0.000 2.472 710 N HA 0.477 5.217 4.740 -0.001 0.000 0.289 710 N C -1.031 174.463 175.510 -0.026 0.000 1.156 710 N CA -0.601 52.427 53.050 -0.036 0.000 0.940 710 N CB 1.973 40.425 38.487 -0.059 0.000 1.200 710 N HN 0.084 nan 8.380 nan 0.000 0.511 711 V N 1.380 121.289 119.914 -0.009 0.000 2.530 711 V HA 0.044 4.163 4.120 -0.001 0.000 0.282 711 V C -0.066 176.040 176.094 0.020 0.000 1.048 711 V CA -0.436 61.879 62.300 0.024 0.000 0.997 711 V CB 0.765 32.621 31.823 0.056 0.000 0.987 711 V HN 0.615 nan 8.190 nan 0.000 0.477 712 D N 4.658 125.092 120.400 0.057 0.000 2.531 712 D HA 0.104 4.744 4.640 -0.001 0.000 0.239 712 D C 0.109 176.533 176.300 0.206 0.000 1.144 712 D CA 0.684 54.718 54.000 0.057 0.000 0.869 712 D CB 0.011 40.936 40.800 0.208 0.000 1.160 712 D HN 0.484 nan 8.370 nan 0.000 0.484 713 F N 0.019 119.919 119.950 -0.082 0.000 2.563 713 F HA -0.266 4.261 4.527 -0.001 0.000 0.351 713 F C 0.314 176.095 175.800 -0.032 0.000 1.086 713 F CA 0.349 58.264 58.000 -0.143 0.000 1.174 713 F CB -1.738 37.301 39.000 0.066 0.000 1.590 713 F HN 0.166 nan 8.300 nan 0.000 0.808 714 T N -0.762 113.722 114.554 -0.117 0.000 2.786 714 T HA 0.607 4.957 4.350 -0.001 0.000 0.316 714 T C -0.175 174.456 174.700 -0.116 0.000 1.503 714 T CA -0.463 61.651 62.100 0.023 0.000 1.019 714 T CB 1.930 70.826 68.868 0.046 0.000 1.415 714 T HN 0.495 nan 8.240 nan 0.000 0.496 715 V N 0.362 120.215 119.914 -0.102 0.000 3.185 715 V HA 0.637 4.756 4.120 -0.001 0.000 0.305 715 V C 0.234 176.274 176.094 -0.091 0.000 1.090 715 V CA -0.373 61.842 62.300 -0.142 0.000 1.107 715 V CB 0.395 32.109 31.823 -0.181 0.000 1.061 715 V HN 0.996 nan 8.190 nan 0.000 0.480 716 D N 1.081 121.432 120.400 -0.082 0.000 2.509 716 D HA 0.244 4.883 4.640 -0.001 0.000 0.275 716 D C 1.393 177.669 176.300 -0.040 0.000 1.189 716 D CA 0.359 54.322 54.000 -0.061 0.000 1.098 716 D CB -0.251 40.509 40.800 -0.067 0.000 1.177 716 D HN 0.687 nan 8.370 nan 0.000 0.599 717 T N -2.966 111.568 114.554 -0.033 0.000 2.915 717 T HA -0.122 4.228 4.350 -0.001 0.000 0.269 717 T C 0.685 175.374 174.700 -0.018 0.000 1.071 717 T CA 1.277 63.364 62.100 -0.022 0.000 1.132 717 T CB -0.770 68.086 68.868 -0.021 0.000 0.878 717 T HN 0.543 nan 8.240 nan 0.000 0.479 718 N N 0.254 118.941 118.700 -0.021 0.000 2.291 718 N HA 0.412 5.152 4.740 -0.001 0.000 0.244 718 N C 0.715 176.217 175.510 -0.013 0.000 1.216 718 N CA -0.165 52.876 53.050 -0.014 0.000 0.879 718 N CB 0.291 38.770 38.487 -0.013 0.000 1.167 718 N HN 0.499 nan 8.380 nan 0.000 0.515 719 G N -0.126 108.661 108.800 -0.022 0.000 2.470 719 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.286 719 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.286 719 G C -0.938 173.945 174.900 -0.028 0.000 1.115 719 G CA -0.003 45.083 45.100 -0.023 0.000 1.122 719 G HN 0.343 nan 8.290 nan 0.000 0.522 720 V N 1.907 121.789 119.914 -0.053 0.000 2.488 720 V HA 0.412 4.531 4.120 -0.001 0.000 0.293 720 V C 0.020 176.069 176.094 -0.074 0.000 1.027 720 V CA -1.343 60.932 62.300 -0.042 0.000 0.862 720 V CB 1.515 33.317 31.823 -0.035 0.000 1.008 720 V HN 0.564 nan 8.190 nan 0.000 0.428 721 Y N 4.418 124.585 120.300 -0.221 0.000 2.511 721 Y HA 0.461 5.011 4.550 -0.001 0.000 0.332 721 Y C 0.718 176.533 175.900 -0.142 0.000 1.177 721 Y CA 0.264 58.211 58.100 -0.255 0.000 1.422 721 Y CB 1.015 39.300 38.460 -0.291 0.000 1.271 721 Y HN 0.729 nan 8.280 nan 0.000 0.550 722 S N 4.370 119.633 115.700 -0.729 0.000 2.619 722 S HA 0.413 4.883 4.470 -0.001 0.000 0.280 722 S C -1.507 172.640 174.600 -0.755 0.000 1.150 722 S CA -1.197 56.672 58.200 -0.553 0.000 0.978 722 S CB 1.406 64.399 63.200 -0.344 0.000 1.041 722 S HN 0.675 nan 8.310 nan 0.000 0.485 723 E N 3.089 122.955 120.200 -0.558 0.000 2.001 723 E HA 0.218 4.568 4.350 -0.001 0.000 0.279 723 E C -1.857 174.387 176.600 -0.593 0.000 1.045 723 E CA -2.003 54.036 56.400 -0.602 0.000 0.833 723 E CB 0.462 30.048 29.700 -0.190 0.000 1.077 723 E HN 0.355 nan 8.360 nan 0.000 0.397 724 P HA -0.216 nan 4.420 nan 0.000 0.208 724 P C 0.202 177.339 177.300 -0.272 0.000 1.180 724 P CA 1.519 64.322 63.100 -0.495 0.000 0.935 724 P CB 0.182 31.559 31.700 -0.537 0.000 0.785 725 R N -1.613 118.777 120.500 -0.183 0.000 2.892 725 R HA 0.616 4.956 4.340 -0.001 0.000 0.265 725 R C -2.950 173.406 176.300 0.092 0.000 1.025 725 R CA -2.323 53.786 56.100 0.015 0.000 0.982 725 R CB 0.100 30.474 30.300 0.123 0.000 1.185 725 R HN -0.139 nan 8.270 nan 0.000 0.484 726 P HA 0.197 nan 4.420 nan 0.000 0.274 726 P C -0.698 176.763 177.300 0.268 0.000 1.231 726 P CA -0.368 62.791 63.100 0.100 0.000 0.790 726 P CB 0.523 32.250 31.700 0.045 0.000 0.951 727 I N 1.879 122.644 120.570 0.325 0.000 2.382 727 I HA 0.302 4.472 4.170 -0.001 0.000 0.286 727 I C 1.167 177.644 176.117 0.600 0.000 1.002 727 I CA -0.313 61.214 61.300 0.379 0.000 1.135 727 I CB 0.752 38.849 38.000 0.162 0.000 1.288 727 I HN 0.418 nan 8.210 nan 0.000 0.448 728 G N 3.528 112.680 108.800 0.586 0.000 2.631 728 G HA2 0.223 4.183 3.960 -0.001 0.000 0.271 728 G HA3 0.223 4.183 3.960 -0.001 0.000 0.271 728 G C 0.545 175.615 174.900 0.284 0.000 1.302 728 G CA 0.145 45.461 45.100 0.360 0.000 1.002 728 G HN 0.576 nan 8.290 nan 0.000 0.519 729 T N -1.402 113.242 114.554 0.151 0.000 2.986 729 T HA 0.176 4.526 4.350 -0.001 0.000 0.264 729 T C 0.911 175.721 174.700 0.183 0.000 0.964 729 T CA -0.221 61.944 62.100 0.108 0.000 0.895 729 T CB 0.022 68.960 68.868 0.117 0.000 1.163 729 T HN 0.362 nan 8.240 nan 0.000 0.517 730 R N 1.206 121.801 120.500 0.160 0.000 2.391 730 R HA 0.344 4.684 4.340 -0.001 0.000 0.310 730 R C -0.591 175.744 176.300 0.059 0.000 1.174 730 R CA -0.167 55.964 56.100 0.051 0.000 1.118 730 R CB 0.374 30.611 30.300 -0.105 0.000 1.134 730 R HN 0.327 nan 8.270 nan 0.000 0.524 731 Y N 0.598 120.923 120.300 0.041 0.000 2.452 731 Y HA 0.238 4.787 4.550 -0.001 0.000 0.262 731 Y C 0.463 176.418 175.900 0.092 0.000 1.089 731 Y CA -0.069 58.074 58.100 0.073 0.000 1.262 731 Y CB 0.880 39.392 38.460 0.086 0.000 1.236 731 Y HN 0.245 nan 8.280 nan 0.000 0.512 732 L N 0.739 122.123 121.223 0.268 0.000 2.334 732 L HA 0.467 4.807 4.340 -0.001 0.000 0.275 732 L C 0.170 177.138 176.870 0.162 0.000 1.036 732 L CA -0.763 54.263 54.840 0.309 0.000 0.807 732 L CB 1.561 43.965 42.059 0.576 0.000 1.231 732 L HN 0.007 nan 8.230 nan 0.000 0.438 733 T N -0.223 114.431 114.554 0.166 0.000 2.794 733 T HA 0.573 4.922 4.350 -0.001 0.000 0.280 733 T C -0.413 174.220 174.700 -0.112 0.000 0.987 733 T CA -0.876 61.234 62.100 0.017 0.000 0.993 733 T CB 2.027 70.936 68.868 0.069 0.000 0.939 733 T HN 0.592 nan 8.240 nan 0.000 0.449 734 R N 2.091 122.404 120.500 -0.312 0.000 2.807 734 R HA 0.476 4.816 4.340 -0.001 0.000 0.276 734 R C -0.728 175.501 176.300 -0.118 0.000 0.979 734 R CA -0.677 55.188 56.100 -0.392 0.000 0.928 734 R CB 1.447 31.114 30.300 -1.055 0.000 1.191 734 R HN 0.712 nan 8.270 nan 0.000 0.471 735 N N 0.955 119.624 118.700 -0.052 0.000 2.374 735 N HA 0.344 5.084 4.740 -0.001 0.000 0.284 735 N C -0.219 175.322 175.510 0.052 0.000 1.280 735 N CA -0.268 52.796 53.050 0.025 0.000 0.963 735 N CB 0.326 38.821 38.487 0.013 0.000 1.141 735 N HN 0.361 nan 8.380 nan 0.000 0.565 736 L N 0.000 121.219 121.223 -0.006 0.000 2.949 736 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 736 L CA 0.000 54.781 54.840 -0.098 0.000 0.813 736 L CB 0.000 41.952 42.059 -0.178 0.000 0.961 736 L HN 0.000 nan 8.230 nan 0.000 0.502