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_Q 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 1.562 20.581 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 0.280 54.299 54.000 0.033 0.000 1.055 219 D CB 1.317 42.137 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 0.810 175.728 174.900 0.030 0.000 1.365 220 G CA -0.217 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 0.471 120.399 119.914 0.023 0.000 2.273 221 V HA 0.110 4.230 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 1.855 64.168 62.300 0.021 0.000 1.013 221 V CB -0.660 31.171 31.823 0.014 0.000 0.652 221 V HN 0.731 nan 8.190 nan 0.000 0.452 222 G N 1.185 109.995 108.800 0.017 0.000 3.709 222 G HA2 0.233 4.193 3.960 -0.001 0.000 0.272 222 G HA3 0.233 4.193 3.960 -0.001 0.000 0.272 222 G C -0.121 174.791 174.900 0.020 0.000 1.259 222 G CA 0.011 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 39.839 38.487 0.027 0.000 1.414 223 N HN 0.067 nan 8.380 nan 0.000 0.529 224 S N 1.654 117.386 115.700 0.053 0.000 2.544 224 S HA 0.034 4.504 4.470 -0.001 0.000 0.290 224 S C 0.883 175.536 174.600 0.088 0.000 1.276 224 S CA -0.105 58.145 58.200 0.084 0.000 1.075 224 S CB 0.379 63.633 63.200 0.089 0.000 0.849 224 S HN 0.562 nan 8.310 nan 0.000 0.494 225 S N 1.736 117.517 115.700 0.135 0.000 2.743 225 S HA 0.542 5.012 4.470 -0.001 0.000 0.230 225 S C 0.716 175.364 174.600 0.080 0.000 0.950 225 S CA -0.276 57.998 58.200 0.123 0.000 0.976 225 S CB -0.723 62.577 63.200 0.165 0.000 0.779 225 S HN 1.526 nan 8.310 nan 0.000 0.487 226 G N 0.296 109.102 108.800 0.011 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 -1.802 172.966 174.900 -0.221 0.000 1.498 226 G CA -1.089 43.787 45.100 -0.372 0.000 0.847 226 G HN 0.267 nan 8.290 nan 0.000 0.594 227 N N -0.710 117.809 118.700 -0.302 0.000 2.471 227 N HA 0.427 5.167 4.740 -0.001 0.000 0.288 227 N C -0.780 174.730 175.510 -0.001 0.000 1.220 227 N CA -0.851 52.147 53.050 -0.086 0.000 0.893 227 N CB 1.997 40.385 38.487 -0.164 0.000 1.256 227 N HN 0.536 nan 8.380 nan 0.000 0.534 228 W N 2.783 124.020 121.300 -0.105 0.000 2.365 228 W HA 0.141 4.801 4.660 -0.001 0.000 0.371 228 W C -0.953 175.468 176.519 -0.162 0.000 1.006 228 W CA 0.002 57.340 57.345 -0.012 0.000 1.528 228 W CB -0.285 29.175 29.460 -0.000 0.000 1.497 228 W HN 0.458 nan 8.180 nan 0.000 0.367 229 H N 4.865 123.860 119.070 -0.125 0.000 2.787 229 H HA 0.181 4.736 4.556 -0.001 0.000 0.275 229 H C -0.191 175.021 175.328 -0.194 0.000 1.183 229 H CA -0.032 55.953 56.048 -0.106 0.000 1.290 229 H CB 1.089 30.777 29.762 -0.123 0.000 1.438 229 H HN 0.159 nan 8.280 nan 0.000 0.487 230 C N 4.468 123.772 119.300 0.005 0.000 2.547 230 C HA 0.353 4.813 4.460 -0.001 0.000 0.327 230 C C -0.888 174.146 174.990 0.073 0.000 1.076 230 C CA -0.358 58.661 59.018 0.002 0.000 1.390 230 C CB -0.409 27.348 27.740 0.027 0.000 1.918 230 C HN 0.929 nan 8.230 nan 0.000 0.438 231 D N 2.153 122.575 120.400 0.037 0.000 2.710 231 D HA 0.642 5.282 4.640 -0.001 0.000 0.276 231 D C -1.276 175.018 176.300 -0.010 0.000 1.267 231 D CA 0.158 54.180 54.000 0.037 0.000 0.772 231 D CB 2.110 42.945 40.800 0.059 0.000 1.299 231 D HN 0.627 nan 8.370 nan 0.000 0.421 232 S N 0.813 116.503 115.700 -0.016 0.000 2.603 232 S HA 0.725 5.195 4.470 -0.001 0.000 0.274 232 S C -1.460 173.105 174.600 -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 1.409 121.146 119.800 -0.104 0.000 2.458 233 Q HA 0.809 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 0.429 29.211 28.738 0.073 0.000 1.425 233 Q HN 0.761 nan 8.270 nan 0.000 0.437 234 W N 0.334 121.654 121.300 0.033 0.000 2.639 234 W HA 0.573 5.233 4.660 -0.001 0.000 0.347 234 W C -0.013 176.527 176.519 0.035 0.000 1.067 234 W CA -0.781 56.587 57.345 0.040 0.000 1.218 234 W CB 1.107 30.586 29.460 0.031 0.000 1.393 234 W HN 0.451 nan 8.180 nan 0.000 0.557 235 L N 2.768 124.148 121.223 0.262 0.000 2.906 235 L HA 0.234 4.574 4.340 -0.001 0.000 0.255 235 L C 1.664 178.629 176.870 0.158 0.000 1.166 235 L CA 0.904 55.842 54.840 0.163 0.000 0.977 235 L CB -0.742 41.381 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 3.514 3.960 -0.001 0.000 0.246 236 G HA3 -0.446 3.514 3.960 -0.001 0.000 0.246 236 G C 0.988 175.972 174.900 0.139 0.000 1.073 236 G CA 1.119 46.307 45.100 0.146 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 4.830 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 55.250 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 -1.749 118.863 120.500 0.187 0.000 2.741 238 R HA 0.567 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 1.073 31.455 30.300 0.137 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 1.955 33.355 31.823 -0.705 0.000 1.004 239 V HN 0.672 nan 8.190 nan 0.000 0.424 240 I N 5.599 126.085 120.570 -0.139 0.000 2.339 240 I HA 0.505 4.675 4.170 -0.001 0.000 0.290 240 I C 0.443 176.479 176.117 -0.134 0.000 0.994 240 I CA 0.072 61.333 61.300 -0.064 0.000 1.191 240 I CB 2.054 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 1.453 115.970 114.554 -0.061 0.000 2.756 241 T HA 0.597 4.946 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 2.894 117.413 114.554 -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 -0.042 0.000 0.987 242 T CA -0.737 61.336 62.100 -0.045 0.000 0.993 242 T CB 1.450 70.296 68.868 -0.036 0.000 0.939 242 T HN 0.703 nan 8.240 nan 0.000 0.449 243 S N 1.933 117.596 115.700 -0.061 0.000 2.571 243 S HA 0.685 5.154 4.470 -0.001 0.000 0.284 243 S C -0.935 173.545 174.600 -0.199 0.000 1.128 243 S CA -0.536 57.606 58.200 -0.096 0.000 0.970 243 S CB 1.207 64.385 63.200 -0.037 0.000 1.039 243 S HN 0.665 nan 8.310 nan 0.000 0.485 244 T N 5.321 119.656 114.554 -0.366 0.000 2.881 244 T HA 0.665 5.015 4.350 -0.001 0.000 0.290 244 T C -0.958 173.361 174.700 -0.633 0.000 1.000 244 T CA -0.840 60.883 62.100 -0.628 0.000 0.978 244 T CB 1.090 69.239 68.868 -1.198 0.000 0.997 244 T HN 0.505 nan 8.240 nan 0.000 0.443 245 R N 1.233 121.567 120.500 -0.276 0.000 2.836 245 R HA 0.637 4.977 4.340 -0.001 0.000 0.269 245 R C -0.816 175.619 176.300 0.224 0.000 1.010 245 R CA -0.816 55.352 56.100 0.113 0.000 0.930 245 R CB 1.679 32.189 30.300 0.349 0.000 1.218 245 R HN 0.564 nan 8.270 nan 0.000 0.473 246 T N 2.616 117.359 114.554 0.315 0.000 2.799 246 T HA 0.513 4.863 4.350 -0.001 0.000 0.286 246 T C -0.192 174.464 174.700 -0.074 0.000 0.973 246 T CA -0.624 61.517 62.100 0.067 0.000 1.035 246 T CB 0.660 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 0.669 121.810 121.300 -0.265 0.000 2.799 247 W HA 0.836 5.495 4.660 -0.001 0.000 0.349 247 W C -1.303 174.994 176.519 -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 -0.589 0.000 1.427 247 W HN 0.730 nan 8.180 nan 0.000 0.547 248 A N 2.735 125.542 122.820 -0.023 0.000 2.414 248 A HA 0.761 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 1.979 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 3.674 125.069 121.223 0.286 0.000 2.404 249 L HA 0.689 5.029 4.340 -0.001 0.000 0.272 249 L C -2.682 174.239 176.870 0.085 0.000 0.980 249 L CA -1.585 53.352 54.840 0.162 0.000 0.836 249 L CB 2.124 44.274 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 -0.263 0.000 1.304 250 P CA -0.420 62.540 63.100 -0.234 0.000 0.767 250 P CB 0.541 31.931 31.700 -0.516 0.000 1.247 251 T N 0.610 114.996 114.554 -0.279 0.000 2.762 251 T HA 0.320 4.670 4.350 -0.001 0.000 0.303 251 T C -0.362 174.131 174.700 -0.345 0.000 0.977 251 T CA 0.080 62.005 62.100 -0.293 0.000 0.961 251 T CB -0.848 67.804 68.868 -0.358 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 4.737 4.550 -0.001 0.000 0.328 252 Y C 1.685 177.499 175.900 -0.143 0.000 1.242 252 Y CA -0.212 57.813 58.100 -0.126 0.000 1.323 252 Y CB 0.409 38.824 38.460 -0.075 0.000 1.266 252 Y HN 0.707 nan 8.280 nan 0.000 0.527 253 N N 1.935 120.690 118.700 0.092 0.000 2.650 253 N HA -0.395 4.345 4.740 -0.001 0.000 0.249 253 N C -0.364 175.139 175.510 -0.012 0.000 1.155 253 N CA 0.771 53.846 53.050 0.042 0.000 0.747 253 N CB -0.598 37.920 38.487 0.051 0.000 1.132 253 N HN 0.767 nan 8.380 nan 0.000 0.564 254 N N 0.172 118.809 118.700 -0.104 0.000 2.714 254 N HA -0.208 4.532 4.740 -0.001 0.000 0.253 254 N C -0.560 174.897 175.510 -0.089 0.000 1.024 254 N CA 2.032 55.000 53.050 -0.137 0.000 0.726 254 N CB -1.748 36.749 38.487 0.018 0.000 0.908 254 N HN 0.721 nan 8.380 nan 0.000 0.542 255 H N -2.725 116.299 119.070 -0.076 0.000 2.861 255 H HA -0.202 4.353 4.556 -0.001 0.000 0.289 255 H C -0.160 175.143 175.328 -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 -0.391 0.000 1.330 255 H HN 0.352 nan 8.280 nan 0.000 0.379 256 L N 0.131 121.397 121.223 0.072 0.000 2.401 256 L HA 0.452 4.792 4.340 -0.001 0.000 0.266 256 L C -0.243 176.688 176.870 0.102 0.000 0.991 256 L CA -1.028 53.901 54.840 0.149 0.000 0.818 256 L CB 1.408 43.571 42.059 0.174 0.000 1.321 256 L HN 0.021 nan 8.230 nan 0.000 0.413 257 Y N 2.074 122.527 120.300 0.254 0.000 2.336 257 Y HA 0.324 4.873 4.550 -0.001 0.000 0.335 257 Y C 0.029 176.086 175.900 0.262 0.000 1.046 257 Y CA -0.164 58.123 58.100 0.312 0.000 1.198 257 Y CB 1.018 39.732 38.460 0.422 0.000 1.182 257 Y HN 0.283 nan 8.280 nan 0.000 0.502 258 K N 2.875 123.485 120.400 0.350 0.000 2.270 258 K HA 0.224 4.544 4.320 -0.001 0.000 0.255 258 K C -0.820 175.870 176.600 0.150 0.000 0.936 258 K CA -1.059 55.354 56.287 0.210 0.000 0.809 258 K CB 1.966 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 5.114 124.923 119.800 0.014 0.000 2.307 259 Q HA 0.194 4.534 4.340 -0.001 0.000 0.261 259 Q C -0.526 175.223 176.000 -0.419 0.000 1.051 259 Q CA -0.333 55.228 55.803 -0.404 0.000 0.911 259 Q CB 0.199 28.742 28.738 -0.324 0.000 1.227 259 Q HN 0.581 nan 8.270 nan 0.000 0.418 260 I N 1.030 121.259 120.570 -0.568 0.000 2.707 260 I HA 0.793 4.962 4.170 -0.001 0.000 0.309 260 I C -0.509 175.249 176.117 -0.598 0.000 1.001 260 I CA -0.727 60.344 61.300 -0.383 0.000 1.129 260 I CB 2.081 39.987 38.000 -0.156 0.000 1.308 260 I HN 0.693 nan 8.210 nan 0.000 0.466 261 S N 1.869 117.259 115.700 -0.517 0.000 2.661 261 S HA 0.469 4.939 4.470 -0.001 0.000 0.268 261 S C -0.560 173.498 174.600 -0.905 0.000 1.162 261 S CA -0.592 57.147 58.200 -0.768 0.000 0.817 261 S CB 0.876 63.938 63.200 -0.231 0.000 1.141 261 S HN 0.994 nan 8.310 nan 0.000 0.477 262 S N 1.148 116.366 115.700 -0.804 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 -0.031 0.000 1.339 262 S CA -0.552 57.508 58.200 -0.232 0.000 1.039 262 S CB 0.292 63.558 63.200 0.110 0.000 0.902 262 S HN 0.769 nan 8.310 nan 0.000 0.516 263 Q N 1.462 121.283 119.800 0.035 0.000 2.349 263 Q HA 0.054 4.394 4.340 -0.001 0.000 0.287 263 Q C -0.355 175.670 176.000 0.042 0.000 1.044 263 Q CA 0.382 56.199 55.803 0.024 0.000 0.918 263 Q CB 0.547 29.296 28.738 0.018 0.000 1.242 263 Q HN 0.827 nan 8.270 nan 0.000 0.405 264 S N 2.500 118.219 115.700 0.033 0.000 2.711 264 S HA 0.212 4.681 4.470 -0.001 0.000 0.335 264 S C 0.680 175.309 174.600 0.049 0.000 1.175 264 S CA 0.421 58.648 58.200 0.045 0.000 1.372 264 S CB -0.741 62.471 63.200 0.020 0.000 1.337 264 S HN 0.812 nan 8.310 nan 0.000 0.572 265 G N 2.019 110.873 108.800 0.091 0.000 2.353 265 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.294 265 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.294 265 G C 0.465 175.369 174.900 0.007 0.000 1.077 265 G CA -0.022 45.117 45.100 0.065 0.000 1.098 265 G HN 0.958 nan 8.290 nan 0.000 0.511 266 A N -1.075 121.724 122.820 -0.035 0.000 2.127 266 A HA 0.818 5.137 4.320 -0.001 0.000 0.204 266 A C 1.083 178.600 177.584 -0.112 0.000 1.243 266 A CA 1.602 53.603 52.037 -0.060 0.000 0.887 266 A CB 0.835 19.809 19.000 -0.044 0.000 0.933 266 A HN 1.559 nan 8.150 nan 0.000 0.479 267 S N -1.999 113.576 115.700 -0.209 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 64.328 63.200 -0.218 0.000 1.113 267 S HN 0.406 nan 8.310 nan 0.000 0.458 268 N N 0.664 119.240 118.700 -0.207 0.000 2.571 268 N HA 0.034 4.774 4.740 -0.001 0.000 0.195 268 N C 0.018 175.569 175.510 0.069 0.000 1.040 268 N CA 0.202 53.241 53.050 -0.019 0.000 0.890 268 N CB 0.129 38.667 38.487 0.085 0.000 1.233 268 N HN 0.510 nan 8.380 nan 0.000 0.435 269 D N 0.650 121.058 120.400 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 54.670 54.000 0.064 0.000 0.892 269 D CB -0.199 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 -0.598 118.073 118.700 -0.050 0.000 2.200 270 N HA 0.006 4.745 4.740 -0.001 0.000 0.224 270 N C 0.038 175.593 175.510 0.074 0.000 1.179 270 N CA -0.353 52.675 53.050 -0.036 0.000 0.877 270 N CB 0.732 39.149 38.487 -0.116 0.000 1.072 270 N HN 0.070 nan 8.380 nan 0.000 0.519 271 H N 1.121 120.275 119.070 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 0.291 0.000 1.092 271 H CA 0.676 56.832 56.048 0.180 0.000 1.420 271 H CB 0.366 30.184 29.762 0.092 0.000 1.400 271 H HN 0.260 nan 8.280 nan 0.000 0.604 272 Y N 0.558 120.982 120.300 0.206 0.000 2.702 272 Y HA 0.472 5.022 4.550 -0.001 0.000 0.336 272 Y C -2.270 173.746 175.900 0.193 0.000 1.203 272 Y CA -1.377 56.813 58.100 0.151 0.000 1.072 272 Y CB 1.309 39.813 38.460 0.073 0.000 1.327 272 Y HN 0.403 nan 8.280 nan 0.000 0.456 273 F N 1.279 121.198 119.950 -0.051 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 0.035 57.915 58.000 -0.199 0.000 0.961 273 F CB 1.969 40.876 39.000 -0.155 0.000 1.239 273 F HN 1.087 nan 8.300 nan 0.000 0.448 274 G N 2.932 111.224 108.800 -0.846 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 -2.406 171.861 174.900 -1.055 0.000 1.223 274 G CA -0.580 44.137 45.100 -0.639 0.000 0.871 274 G HN 0.516 nan 8.290 nan 0.000 0.492 275 Y N -0.891 119.042 120.300 -0.611 0.000 2.588 275 Y HA 0.728 5.278 4.550 -0.001 0.000 0.343 275 Y C 0.094 175.842 175.900 -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 40.947 38.460 -0.194 0.000 1.297 275 Y HN 0.538 nan 8.280 nan 0.000 0.467 276 S N 1.300 117.076 115.700 0.126 0.000 2.456 276 S HA 0.572 5.042 4.470 -0.001 0.000 0.316 276 S C -0.593 174.135 174.600 0.213 0.000 1.089 276 S CA -0.539 57.727 58.200 0.111 0.000 1.101 276 S CB 0.198 63.431 63.200 0.056 0.000 0.995 276 S HN 0.701 nan 8.310 nan 0.000 0.468 277 T N 2.735 117.423 114.554 0.223 0.000 2.902 277 T HA 0.563 4.913 4.350 -0.001 0.000 0.283 277 T C -2.424 172.288 174.700 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 70.554 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 -0.689 176.570 177.300 -0.068 0.000 1.197 278 P CA 0.041 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 0.324 121.608 121.300 -0.026 0.000 2.375 279 W HA 0.560 5.219 4.660 -0.001 0.000 0.336 279 W C 1.074 177.572 176.519 -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 0.570 109.466 108.800 0.158 0.000 2.705 280 G HA2 0.737 4.697 3.960 -0.001 0.000 0.299 280 G HA3 0.737 4.697 3.960 -0.001 0.000 0.299 280 G C -1.970 172.930 174.900 -0.001 0.000 1.315 280 G CA -0.710 44.365 45.100 -0.043 0.000 1.045 280 G HN 0.574 nan 8.290 nan 0.000 0.517 281 Y N -2.924 117.228 120.300 -0.247 0.000 2.624 281 Y HA 0.732 5.282 4.550 -0.001 0.000 0.334 281 Y C -1.789 173.917 175.900 -0.322 0.000 1.155 281 Y CA -2.190 55.753 58.100 -0.262 0.000 1.046 281 Y CB 1.062 39.408 38.460 -0.189 0.000 1.316 281 Y HN 0.395 nan 8.280 nan 0.000 0.457 282 F N 1.557 121.559 119.950 0.086 0.000 2.422 282 F HA 0.566 5.092 4.527 -0.001 0.000 0.333 282 F C -0.262 175.639 175.800 0.168 0.000 1.095 282 F CA -0.075 58.014 58.000 0.149 0.000 1.038 282 F CB 1.693 40.858 39.000 0.276 0.000 1.156 282 F HN 0.636 nan 8.300 nan 0.000 0.483 283 D N 1.720 122.312 120.400 0.320 0.000 2.753 283 D HA 0.447 5.086 4.640 -0.001 0.000 0.224 283 D C -0.883 175.499 176.300 0.137 0.000 1.213 283 D CA -0.517 53.524 54.000 0.067 0.000 0.833 283 D CB 1.292 42.144 40.800 0.086 0.000 1.607 283 D HN 0.288 nan 8.370 nan 0.000 0.463 284 F N 0.604 120.654 119.950 0.167 0.000 2.656 284 F HA 0.386 4.912 4.527 -0.001 0.000 0.363 284 F C 0.302 176.151 175.800 0.083 0.000 1.313 284 F CA -0.813 57.249 58.000 0.103 0.000 1.089 284 F CB -0.975 38.177 39.000 0.254 0.000 1.247 284 F HN 0.279 nan 8.300 nan 0.000 0.509 285 N N 1.837 120.370 118.700 -0.278 0.000 2.581 285 N HA 0.133 4.873 4.740 -0.001 0.000 0.230 285 N C -0.382 174.925 175.510 -0.339 0.000 1.310 285 N CA 0.011 52.701 53.050 -0.600 0.000 0.886 285 N CB 0.183 38.122 38.487 -0.914 0.000 1.205 285 N HN 0.370 nan 8.380 nan 0.000 0.488 286 R N -0.411 119.966 120.500 -0.205 0.000 2.628 286 R HA 0.193 4.533 4.340 -0.001 0.000 0.288 286 R C 0.017 176.191 176.300 -0.209 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 1.016 120.963 119.950 -0.006 0.000 2.216 287 F HA -0.184 4.342 4.527 -0.001 0.000 0.300 287 F C 2.317 178.156 175.800 0.065 0.000 1.085 287 F CA 1.702 59.790 58.000 0.146 0.000 1.326 287 F CB -0.072 38.836 39.000 -0.154 0.000 1.027 287 F HN 0.721 nan 8.300 nan 0.000 0.497 288 H N -2.789 116.346 119.070 0.109 0.000 2.561 288 H HA -0.039 4.516 4.556 -0.001 0.000 0.278 288 H C 1.752 177.092 175.328 0.021 0.000 1.014 288 H CA 0.579 56.651 56.048 0.041 0.000 1.211 288 H CB -1.415 28.347 29.762 -0.000 0.000 1.365 288 H HN 0.248 nan 8.280 nan 0.000 0.594 289 C N 0.667 119.825 119.300 -0.236 0.000 2.432 289 C HA -0.032 4.427 4.460 -0.001 0.000 0.280 289 C C 1.848 176.605 174.990 -0.388 0.000 1.353 289 C CA 1.007 59.811 59.018 -0.355 0.000 1.766 289 C CB -0.611 26.754 27.740 -0.625 0.000 1.924 289 C HN 0.799 nan 8.230 nan 0.000 0.509 290 H N -2.781 116.409 119.070 0.199 0.000 2.521 290 H HA 0.244 4.799 4.556 -0.001 0.000 0.267 290 H C 0.128 175.417 175.328 -0.065 0.000 0.963 290 H CA 0.194 56.290 56.048 0.080 0.000 1.175 290 H CB -0.201 29.661 29.762 0.167 0.000 1.450 290 H HN 0.311 nan 8.280 nan 0.000 0.472 291 F N 2.892 122.979 119.950 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 -0.855 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 2.730 118.594 115.700 0.274 0.000 2.632 292 S HA 0.370 4.840 4.470 -0.001 0.000 0.267 292 S C -2.025 172.679 174.600 0.173 0.000 1.276 292 S CA -1.170 57.144 58.200 0.189 0.000 0.998 292 S CB 1.510 64.802 63.200 0.152 0.000 0.953 292 S HN 0.343 nan 8.310 nan 0.000 0.547 293 P HA -0.172 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 1.301 64.305 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 0.345 120.887 120.500 0.069 0.000 2.070 294 R HA -0.143 4.196 4.340 -0.001 0.000 0.233 294 R C 1.834 178.224 176.300 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 28.704 30.300 0.111 0.000 0.845 294 R HN 0.096 nan 8.270 nan 0.000 0.430 295 D N -0.353 120.207 120.400 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 0.406 0.000 0.998 295 D CA 1.322 55.603 54.000 0.469 0.000 0.836 295 D CB -0.650 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 1.945 123.295 121.300 0.083 0.000 2.325 296 W HA -0.233 4.426 4.660 -0.001 0.000 0.299 296 W C 2.219 178.609 176.519 -0.214 0.000 1.215 296 W CA 1.413 58.660 57.345 -0.164 0.000 1.244 296 W CB -0.086 29.227 29.460 -0.245 0.000 1.140 296 W HN 0.119 nan 8.180 nan 0.000 0.523 297 Q N 0.342 120.110 119.800 -0.054 0.000 2.020 297 Q HA -0.234 4.106 4.340 -0.001 0.000 0.202 297 Q C 2.433 178.305 176.000 -0.213 0.000 0.982 297 Q CA 2.148 57.854 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 0.362 120.753 120.500 -0.181 0.000 2.094 298 R HA -0.191 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 1.704 57.606 56.100 -0.330 0.000 0.943 298 R CB -0.800 29.156 30.300 -0.573 0.000 0.850 298 R HN 0.354 nan 8.270 nan 0.000 0.433 299 L N 0.811 121.893 121.223 -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 1.535 56.234 54.840 -0.235 0.000 0.762 299 L CB -0.288 41.499 42.059 -0.454 0.000 0.889 299 L HN 0.186 nan 8.230 nan 0.000 0.433 300 I N 0.447 120.688 120.570 -0.548 0.000 2.163 300 I HA -0.303 3.867 4.170 -0.001 0.000 0.243 300 I C 1.951 177.941 176.117 -0.211 0.000 1.085 300 I CA 1.527 62.556 61.300 -0.452 0.000 1.347 300 I CB -1.653 35.987 38.000 -0.600 0.000 1.044 300 I HN 0.448 nan 8.210 nan 0.000 0.408 301 N N 1.031 119.598 118.700 -0.221 0.000 2.521 301 N HA -0.058 4.682 4.740 -0.001 0.000 0.188 301 N C 1.072 176.539 175.510 -0.072 0.000 1.146 301 N CA 0.452 53.432 53.050 -0.117 0.000 0.893 301 N CB -0.078 38.330 38.487 -0.132 0.000 0.975 301 N HN 0.469 nan 8.380 nan 0.000 0.451 302 N N -0.280 118.364 118.700 -0.094 0.000 2.266 302 N HA 0.090 4.829 4.740 -0.001 0.000 0.217 302 N C -0.617 174.855 175.510 -0.063 0.000 1.211 302 N CA 0.014 53.001 53.050 -0.105 0.000 0.881 302 N CB 0.784 39.167 38.487 -0.173 0.000 1.153 302 N HN 0.150 nan 8.380 nan 0.000 0.489 303 N N -0.147 118.573 118.700 0.033 0.000 2.342 303 N HA 0.141 4.880 4.740 -0.001 0.000 0.293 303 N C 0.335 176.060 175.510 0.358 0.000 1.026 303 N CA -0.442 52.686 53.050 0.130 0.000 0.857 303 N CB 1.769 40.358 38.487 0.171 0.000 1.256 303 N HN 0.143 nan 8.380 nan 0.000 0.484 304 W N 1.919 123.239 121.300 0.034 0.000 2.321 304 W HA -0.127 4.532 4.660 -0.001 0.000 0.306 304 W C 1.119 177.728 176.519 0.149 0.000 1.217 304 W CA 0.267 57.631 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 -1.858 107.197 108.800 0.425 0.000 2.550 305 G HA2 0.467 4.427 3.960 -0.001 0.000 0.293 305 G HA3 0.467 4.427 3.960 -0.001 0.000 0.293 305 G C -1.821 173.534 174.900 0.758 0.000 1.402 305 G CA -0.658 44.732 45.100 0.483 0.000 0.784 305 G HN 0.088 nan 8.290 nan 0.000 0.482 306 F N -1.313 119.078 119.950 0.736 0.000 2.779 306 F HA 0.945 5.472 4.527 -0.001 0.000 0.316 306 F C -0.760 175.288 175.800 0.413 0.000 1.164 306 F CA -1.367 57.008 58.000 0.626 0.000 0.924 306 F CB 1.650 40.880 39.000 0.383 0.000 1.348 306 F HN 0.928 nan 8.300 nan 0.000 0.467 307 R N -0.355 120.348 120.500 0.337 0.000 2.712 307 R HA 0.689 5.029 4.340 -0.001 0.000 0.272 307 R C -3.635 172.589 176.300 -0.126 0.000 1.032 307 R CA -1.934 54.020 56.100 -0.243 0.000 0.874 307 R CB 1.603 31.423 30.300 -0.801 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 -0.831 0.000 1.238 308 P CA -0.580 61.758 63.100 -1.269 0.000 0.794 308 P CB 1.155 31.526 31.700 -2.215 0.000 0.955 309 K N 0.994 121.082 120.400 -0.521 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 0.755 56.943 56.287 -0.165 0.000 0.841 309 K CB 0.213 32.619 32.500 -0.157 0.000 1.659 309 K HN 0.349 nan 8.250 nan 0.000 0.435 310 K N 0.295 120.681 120.400 -0.023 0.000 2.331 310 K HA 0.552 4.872 4.320 -0.001 0.000 0.238 310 K C -1.224 175.365 176.600 -0.017 0.000 1.058 310 K CA -0.947 55.301 56.287 -0.064 0.000 0.871 310 K CB 1.713 34.138 32.500 -0.125 0.000 1.292 310 K HN -0.086 nan 8.250 nan 0.000 0.470 311 L N -0.354 120.821 121.223 -0.079 0.000 2.513 311 L HA 0.406 4.746 4.340 -0.001 0.000 0.261 311 L C -1.791 175.035 176.870 -0.073 0.000 0.945 311 L CA 0.008 54.830 54.840 -0.030 0.000 0.848 311 L CB 2.481 44.567 42.059 0.045 0.000 1.334 311 L HN 0.513 nan 8.230 nan 0.000 0.407 312 S N 4.375 120.052 115.700 -0.038 0.000 2.779 312 S HA 0.572 5.042 4.470 -0.001 0.000 0.293 312 S C -1.284 173.351 174.600 0.059 0.000 1.150 312 S CA -0.259 57.919 58.200 -0.037 0.000 1.057 312 S CB 0.736 63.877 63.200 -0.100 0.000 1.021 312 S HN 0.473 nan 8.310 nan 0.000 0.485 313 F N 3.668 123.630 119.950 0.020 0.000 2.436 313 F HA 0.661 5.187 4.527 -0.001 0.000 0.340 313 F C -0.140 175.721 175.800 0.102 0.000 1.113 313 F CA -0.403 57.655 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 7.230 127.358 120.400 -0.453 0.000 2.513 314 K HA 0.557 4.877 4.320 -0.001 0.000 0.251 314 K C -2.116 174.423 176.600 -0.102 0.000 0.939 314 K CA -0.619 55.592 56.287 -0.125 0.000 0.793 314 K CB 1.501 33.979 32.500 -0.036 0.000 1.241 314 K HN 0.763 nan 8.250 nan 0.000 0.431 315 L N 6.052 127.384 121.223 0.182 0.000 2.341 315 L HA 0.682 5.022 4.340 -0.001 0.000 0.278 315 L C -0.761 176.373 176.870 0.440 0.000 1.005 315 L CA -0.825 54.133 54.840 0.195 0.000 0.818 315 L CB 0.942 43.104 42.059 0.172 0.000 1.259 315 L HN 0.706 nan 8.230 nan 0.000 0.418 316 F N -0.514 119.547 119.950 0.186 0.000 2.985 316 F HA 0.398 4.925 4.527 -0.001 0.000 0.322 316 F C 0.058 175.943 175.800 0.142 0.000 1.187 316 F CA -1.440 56.649 58.000 0.148 0.000 0.910 316 F CB 1.084 40.137 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 0.279 0.000 2.716 317 N HA -0.210 4.529 4.740 -0.001 0.000 0.250 317 N C -0.967 174.542 175.510 -0.002 0.000 1.033 317 N CA 0.566 53.688 53.050 0.120 0.000 0.727 317 N CB -1.142 37.407 38.487 0.103 0.000 0.950 317 N HN 0.470 nan 8.380 nan 0.000 0.541 318 I N 1.005 121.616 120.570 0.069 0.000 2.588 318 I HA 0.012 4.182 4.170 -0.001 0.000 0.283 318 I C 0.520 176.635 176.117 -0.004 0.000 1.119 318 I CA 0.487 61.823 61.300 0.060 0.000 1.419 318 I CB 0.665 38.778 38.000 0.189 0.000 1.394 318 I HN 0.144 nan 8.210 nan 0.000 0.562 319 Q N 5.438 125.195 119.800 -0.073 0.000 2.305 319 Q HA 0.511 4.851 4.340 -0.001 0.000 0.271 319 Q C -1.374 174.549 176.000 -0.127 0.000 1.046 319 Q CA -0.772 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 3.365 123.208 119.914 -0.118 0.000 2.311 320 V HA 0.293 4.412 4.120 -0.001 0.000 0.275 320 V C -0.390 175.553 176.094 -0.250 0.000 1.022 320 V CA -0.706 61.493 62.300 -0.167 0.000 0.830 320 V CB 0.889 32.663 31.823 -0.082 0.000 1.012 320 V HN 0.545 nan 8.190 nan 0.000 0.452 321 K N 4.270 124.373 120.400 -0.496 0.000 2.183 321 K HA 0.497 4.817 4.320 -0.001 0.000 0.274 321 K C -0.120 176.232 176.600 -0.415 0.000 1.009 321 K CA -0.492 55.489 56.287 -0.510 0.000 0.888 321 K CB 2.202 34.261 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 0.421 4.771 4.350 -0.001 0.000 0.275 322 E C -0.754 175.878 176.600 0.052 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 2.758 122.740 119.914 0.114 0.000 2.630 323 V HA 0.751 4.870 4.120 -0.001 0.000 0.305 323 V C -0.908 175.228 176.094 0.071 0.000 1.046 323 V CA -0.016 62.351 62.300 0.111 0.000 0.934 323 V CB 1.926 33.836 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 61.390 62.100 0.039 0.000 0.975 324 T CB 1.574 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 0.405 4.745 4.340 -0.001 0.000 0.234 325 Q C 0.842 176.849 176.000 0.012 0.000 1.078 325 Q CA -0.508 55.304 55.803 0.014 0.000 0.907 325 Q CB 0.624 29.367 28.738 0.009 0.000 1.269 325 Q HN 0.547 nan 8.270 nan 0.000 0.502 326 N N 1.382 120.089 118.700 0.011 0.000 2.124 326 N HA -0.068 4.671 4.740 -0.001 0.000 0.189 326 N C 0.123 175.636 175.510 0.006 0.000 1.050 326 N CA 1.215 54.270 53.050 0.009 0.000 0.848 326 N CB 0.353 38.846 38.487 0.009 0.000 1.027 326 N HN 0.451 nan 8.380 nan 0.000 0.435 327 D N -1.371 119.032 120.400 0.004 0.000 3.013 327 D HA 0.206 4.845 4.640 -0.001 0.000 0.256 327 D C 1.021 177.321 176.300 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 40.428 40.800 0.002 0.000 1.041 327 D HN 0.275 nan 8.370 nan 0.000 0.304 328 G N -0.093 108.707 108.800 -0.000 0.000 3.969 328 G HA2 0.246 4.205 3.960 -0.001 0.000 0.291 328 G HA3 0.246 4.205 3.960 -0.001 0.000 0.291 328 G C -0.293 174.606 174.900 -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 0.662 115.216 114.554 0.000 0.000 2.881 329 T HA 0.504 4.854 4.350 -0.001 0.000 0.291 329 T C -0.152 174.550 174.700 0.004 0.000 0.990 329 T CA -0.293 61.807 62.100 0.001 0.000 0.976 329 T CB 1.091 69.960 68.868 0.002 0.000 0.970 329 T HN 0.107 nan 8.240 nan 0.000 0.438 330 T N 2.745 117.300 114.554 0.003 0.000 2.723 330 T HA 0.512 4.861 4.350 -0.001 0.000 0.297 330 T C 0.475 175.184 174.700 0.015 0.000 0.925 330 T CA -0.774 61.330 62.100 0.008 0.000 1.030 330 T CB 0.223 69.091 68.868 0.000 0.000 0.905 330 T HN 0.728 nan 8.240 nan 0.000 0.502 331 T N 1.899 116.466 114.554 0.022 0.000 2.829 331 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 0.990 331 T CA -0.957 61.158 62.100 0.026 0.000 1.028 331 T CB 0.576 69.456 68.868 0.020 0.000 0.951 331 T HN 0.636 nan 8.240 nan 0.000 0.460 332 I N 1.987 122.586 120.570 0.048 0.000 2.433 332 I HA 0.731 4.901 4.170 -0.001 0.000 0.292 332 I C 0.218 176.356 176.117 0.034 0.000 1.001 332 I CA -1.044 60.298 61.300 0.071 0.000 1.119 332 I CB 1.677 39.753 38.000 0.126 0.000 1.289 332 I HN 0.955 nan 8.210 nan 0.000 0.438 333 A N 5.123 127.951 122.820 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 20.385 19.000 -0.002 0.000 1.320 333 A HN 0.620 nan 8.150 nan 0.000 0.456 334 N N 2.008 120.685 118.700 -0.038 0.000 2.422 334 N HA 0.254 4.993 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 52.833 53.050 -0.052 0.000 0.941 334 N CB 1.247 39.710 38.487 -0.039 0.000 1.115 334 N HN 0.564 nan 8.380 nan 0.000 0.492 335 N N 3.801 122.470 118.700 -0.052 0.000 2.955 335 N HA 0.200 4.940 4.740 -0.001 0.000 0.242 335 N C 1.049 176.542 175.510 -0.028 0.000 1.123 335 N CA -0.267 52.763 53.050 -0.032 0.000 0.949 335 N CB 0.163 38.631 38.487 -0.031 0.000 1.214 335 N HN 0.486 nan 8.380 nan 0.000 0.504 336 L N 0.543 121.755 121.223 -0.018 0.000 2.046 336 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 336 L C 2.001 178.870 176.870 -0.002 0.000 1.077 336 L CA 1.530 56.364 54.840 -0.010 0.000 0.747 336 L CB -0.755 41.302 42.059 -0.004 0.000 0.896 336 L HN 0.505 nan 8.230 nan 0.000 0.432 337 T N -3.963 110.591 114.554 -0.001 0.000 3.227 337 T HA -0.010 4.339 4.350 -0.001 0.000 0.257 337 T C 0.815 175.516 174.700 0.002 0.000 1.162 337 T CA 0.016 62.118 62.100 0.003 0.000 1.051 337 T CB -0.103 68.767 68.868 0.004 0.000 0.953 337 T HN 0.118 nan 8.240 nan 0.000 0.535 338 S N 1.592 117.290 115.700 -0.003 0.000 2.616 338 S HA 0.600 5.070 4.470 -0.001 0.000 0.277 338 S C 0.234 174.836 174.600 0.003 0.000 1.234 338 S CA -0.572 57.624 58.200 -0.006 0.000 1.028 338 S CB 1.071 64.261 63.200 -0.016 0.000 0.988 338 S HN 0.715 nan 8.310 nan 0.000 0.522 339 T N 0.043 114.599 114.554 0.002 0.000 2.926 339 T HA 0.776 5.125 4.350 -0.001 0.000 0.289 339 T C -0.583 174.126 174.700 0.015 0.000 1.054 339 T CA -0.767 61.345 62.100 0.019 0.000 1.015 339 T CB 1.347 70.229 68.868 0.023 0.000 1.167 339 T HN 0.562 nan 8.240 nan 0.000 0.526 340 V N 0.191 120.128 119.914 0.039 0.000 3.040 340 V HA 0.593 4.713 4.120 -0.001 0.000 0.312 340 V C -1.647 174.470 176.094 0.039 0.000 1.115 340 V CA -0.828 61.488 62.300 0.027 0.000 0.998 340 V CB 2.266 34.135 31.823 0.077 0.000 1.042 340 V HN 1.059 nan 8.190 nan 0.000 0.433 341 Q N 3.230 123.038 119.800 0.013 0.000 2.330 341 Q HA 0.736 5.075 4.340 -0.001 0.000 0.269 341 Q C -1.568 174.566 176.000 0.223 0.000 1.022 341 Q CA -0.643 55.231 55.803 0.120 0.000 0.796 341 Q CB 2.538 31.360 28.738 0.140 0.000 1.271 341 Q HN 0.564 nan 8.270 nan 0.000 0.450 342 V N 2.991 123.000 119.914 0.159 0.000 2.823 342 V HA 0.756 4.876 4.120 -0.001 0.000 0.312 342 V C -0.771 175.351 176.094 0.047 0.000 1.072 342 V CA -0.900 61.367 62.300 -0.055 0.000 0.937 342 V CB 1.400 32.863 31.823 -0.600 0.000 1.013 342 V HN 0.778 nan 8.190 nan 0.000 0.430 343 F N 0.313 120.099 119.950 -0.273 0.000 2.703 343 F HA 0.728 5.254 4.527 -0.001 0.000 0.308 343 F C -0.903 174.683 175.800 -0.356 0.000 1.126 343 F CA -0.628 57.232 58.000 -0.233 0.000 0.959 343 F CB 1.852 40.746 39.000 -0.176 0.000 1.297 343 F HN 0.462 nan 8.300 nan 0.000 0.441 344 T N 1.505 115.904 114.554 -0.258 0.000 2.786 344 T HA 0.275 4.625 4.350 -0.001 0.000 0.283 344 T C -1.157 173.338 174.700 -0.342 0.000 0.992 344 T CA -0.383 61.404 62.100 -0.522 0.000 0.954 344 T CB 0.582 69.020 68.868 -0.717 0.000 0.934 344 T HN 0.824 nan 8.240 nan 0.000 0.440 345 D N 3.598 123.711 120.400 -0.478 0.000 2.441 345 D HA 0.221 4.861 4.640 -0.001 0.000 0.243 345 D C 0.820 176.867 176.300 -0.422 0.000 1.257 345 D CA 0.104 53.900 54.000 -0.339 0.000 1.027 345 D CB 0.118 40.675 40.800 -0.405 0.000 1.084 345 D HN 0.449 nan 8.370 nan 0.000 0.514 346 S N 2.297 117.807 115.700 -0.317 0.000 2.503 346 S HA 0.002 4.471 4.470 -0.001 0.000 0.215 346 S C 1.322 175.681 174.600 -0.402 0.000 1.003 346 S CA -0.078 57.884 58.200 -0.397 0.000 0.910 346 S CB 0.209 63.338 63.200 -0.119 0.000 0.790 346 S HN 0.544 nan 8.310 nan 0.000 0.514 347 E N 0.460 120.548 120.200 -0.185 0.000 2.489 347 E HA 0.084 4.434 4.350 -0.001 0.000 0.193 347 E C -0.813 175.838 176.600 0.085 0.000 1.057 347 E CA -0.191 56.197 56.400 -0.019 0.000 0.866 347 E CB -0.125 29.595 29.700 0.033 0.000 0.916 347 E HN 0.545 nan 8.360 nan 0.000 0.500 348 Y N 0.388 120.705 120.300 0.029 0.000 3.078 348 Y HA -0.302 4.247 4.550 -0.001 0.000 0.202 348 Y C 1.059 176.947 175.900 -0.021 0.000 1.322 348 Y CA 0.325 58.427 58.100 0.003 0.000 1.118 348 Y CB -2.263 36.199 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 4.604 4.340 -0.001 0.000 0.216 349 Q C 0.363 176.245 176.000 -0.196 0.000 0.892 349 Q CA 0.093 55.910 55.803 0.022 0.000 0.931 349 Q CB 0.697 29.524 28.738 0.148 0.000 1.086 349 Q HN 0.510 nan 8.270 nan 0.000 0.528 350 L N 2.411 123.483 121.223 -0.251 0.000 2.312 350 L HA 0.354 4.694 4.340 -0.001 0.000 0.281 350 L C -2.208 174.520 176.870 -0.238 0.000 1.070 350 L CA -2.319 52.244 54.840 -0.462 0.000 0.805 350 L CB 0.890 42.614 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 -1.036 176.321 177.300 0.095 0.000 1.172 351 P CA 0.233 63.336 63.100 0.006 0.000 0.762 351 P CB -0.024 31.715 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 4.663 4.550 -0.001 0.000 0.347 352 Y C 1.293 177.197 175.900 0.007 0.000 1.024 352 Y CA 0.411 58.523 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 6.996 126.744 119.914 -0.276 0.000 3.621 353 V HA 0.158 4.277 4.120 -0.001 0.000 0.285 353 V C 0.458 176.362 176.094 -0.316 0.000 1.346 353 V CA 0.218 62.363 62.300 -0.259 0.000 1.104 353 V CB -0.469 31.124 31.823 -0.382 0.000 0.913 353 V HN 0.580 nan 8.190 nan 0.000 0.432 354 L N 0.117 121.032 121.223 -0.513 0.000 2.468 354 L HA 0.568 4.908 4.340 -0.001 0.000 0.254 354 L C 1.460 178.285 176.870 -0.075 0.000 1.171 354 L CA 0.515 55.138 54.840 -0.361 0.000 0.809 354 L CB 0.222 41.967 42.059 -0.524 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 0.383 175.291 174.900 0.013 0.000 1.042 355 G CA 0.373 45.433 45.100 -0.067 0.000 0.791 355 G HN 0.537 nan 8.290 nan 0.000 0.502 356 S N -0.547 115.175 115.700 0.038 0.000 2.855 356 S HA 0.587 5.056 4.470 -0.001 0.000 0.249 356 S C 1.453 175.976 174.600 -0.130 0.000 1.033 356 S CA 1.026 59.239 58.200 0.020 0.000 1.038 356 S CB 0.674 63.965 63.200 0.152 0.000 0.960 356 S HN 2.187 nan 8.310 nan 0.000 0.548 357 A N 1.509 124.288 122.820 -0.067 0.000 2.861 357 A HA -0.214 4.105 4.320 -0.001 0.000 0.261 357 A C 0.331 177.862 177.584 -0.089 0.000 1.351 357 A CA 0.882 52.879 52.037 -0.068 0.000 0.904 357 A CB -2.280 16.674 19.000 -0.077 0.000 1.076 357 A HN 0.674 nan 8.150 nan 0.000 0.729 358 H N 0.097 119.162 119.070 -0.008 0.000 2.745 358 H HA 0.298 4.853 4.556 -0.001 0.000 0.373 358 H C 0.945 176.293 175.328 0.034 0.000 1.226 358 H CA 0.856 56.912 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 -0.872 119.039 119.800 0.186 0.000 2.180 359 Q HA 0.414 4.754 4.340 -0.001 0.000 0.241 359 Q C 0.582 176.644 176.000 0.103 0.000 0.970 359 Q CA -0.292 55.584 55.803 0.123 0.000 0.919 359 Q CB 1.680 30.480 28.738 0.102 0.000 1.222 359 Q HN 0.971 nan 8.270 nan 0.000 0.482 360 G N -0.497 108.346 108.800 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 0.221 175.098 174.900 -0.039 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 0.266 119.547 119.300 -0.033 0.000 2.827 361 C HA 0.557 5.017 4.460 -0.001 0.000 0.287 361 C C 1.610 176.424 174.990 -0.292 0.000 1.497 361 C CA -0.344 58.617 59.018 -0.094 0.000 2.161 361 C CB -0.328 27.387 27.740 -0.041 0.000 2.120 361 C HN 0.494 nan 8.230 nan 0.000 0.676 362 L N 2.145 123.218 121.223 -0.251 0.000 2.380 362 L HA 0.260 4.600 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 -1.240 53.394 54.840 -0.343 0.000 0.832 362 L CB 0.028 41.988 42.059 -0.165 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 -2.062 175.337 177.300 0.166 0.000 1.193 363 P CA -0.903 62.285 63.100 0.145 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 64.325 63.100 0.105 0.000 0.868 364 P CB -0.046 31.590 31.700 -0.106 0.000 0.788 365 F N 0.111 119.864 119.950 -0.327 0.000 2.420 365 F HA 0.246 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 -2.865 54.892 58.000 -0.407 0.000 1.162 365 F CB 0.787 39.478 39.000 -0.516 0.000 1.118 365 F HN -0.092 nan 8.300 nan 0.000 0.510 366 P HA -0.158 nan 4.420 nan 0.000 0.218 366 P C 1.025 178.292 177.300 -0.054 0.000 1.148 366 P CA 1.925 64.920 63.100 -0.175 0.000 0.822 366 P CB 0.061 31.652 31.700 -0.182 0.000 0.784 367 A N -1.141 121.488 122.820 -0.318 0.000 2.119 367 A HA -0.058 4.262 4.320 -0.001 0.000 0.217 367 A C 0.759 178.448 177.584 0.175 0.000 1.153 367 A CA 0.773 52.800 52.037 -0.017 0.000 0.692 367 A CB -1.011 18.037 19.000 0.080 0.000 0.799 367 A HN 0.111 nan 8.150 nan 0.000 0.458 368 D N -0.418 120.134 120.400 0.253 0.000 2.345 368 D HA 0.417 5.056 4.640 -0.001 0.000 0.247 368 D C -0.208 176.248 176.300 0.260 0.000 1.108 368 D CA 0.164 54.321 54.000 0.261 0.000 0.894 368 D CB 1.396 42.365 40.800 0.283 0.000 1.203 368 D HN -0.015 nan 8.370 nan 0.000 0.430 369 V N 2.510 122.556 119.914 0.220 0.000 2.612 369 V HA 0.561 4.681 4.120 -0.001 0.000 0.301 369 V C -0.131 176.125 176.094 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 32.831 31.823 0.082 0.000 1.003 369 V HN 0.446 nan 8.190 nan 0.000 0.459 370 F N 1.924 121.959 119.950 0.141 0.000 2.593 370 F HA 0.787 5.314 4.527 -0.001 0.000 0.320 370 F C -0.530 175.349 175.800 0.132 0.000 1.060 370 F CA -1.330 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 3.554 123.252 119.600 0.163 0.000 2.209 371 M HA 0.507 4.986 4.480 -0.001 0.000 0.355 371 M C -1.337 175.046 176.300 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 34.104 32.600 0.074 0.000 1.622 371 M HN 0.620 nan 8.290 nan 0.000 0.459 372 V N 8.279 128.194 119.914 0.001 0.000 2.439 372 V HA 0.192 4.311 4.120 -0.001 0.000 0.271 372 V C -1.995 174.026 176.094 -0.121 0.000 1.040 372 V CA -1.157 61.086 62.300 -0.095 0.000 1.002 372 V CB 0.148 31.762 31.823 -0.347 0.000 1.000 372 V HN 0.762 nan 8.190 nan 0.000 0.477 373 P HA 0.065 nan 4.420 nan 0.000 0.271 373 P C -0.566 176.337 177.300 -0.663 0.000 1.238 373 P CA -0.161 62.654 63.100 -0.476 0.000 0.794 373 P CB 0.482 31.712 31.700 -0.782 0.000 0.959 374 Q N 0.229 119.645 119.800 -0.640 0.000 2.266 374 Q HA 0.286 4.626 4.340 -0.001 0.000 0.261 374 Q C -1.408 174.596 176.000 0.007 0.000 0.985 374 Q CA -0.828 54.550 55.803 -0.708 0.000 0.873 374 Q CB 0.682 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 1.362 121.671 120.300 0.016 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 0.253 58.404 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 5.809 114.308 108.800 -0.501 0.000 2.731 376 G HA2 0.491 4.451 3.960 -0.001 0.000 0.298 376 G HA3 0.491 4.451 3.960 -0.001 0.000 0.298 376 G C -2.244 172.404 174.900 -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 -0.109 120.007 120.300 -0.306 0.000 2.605 377 Y HA 0.839 5.388 4.550 -0.001 0.000 0.343 377 Y C -0.925 175.001 175.900 0.043 0.000 1.036 377 Y CA -1.636 56.363 58.100 -0.169 0.000 1.065 377 Y CB 1.590 39.992 38.460 -0.096 0.000 1.288 377 Y HN 0.459 nan 8.280 nan 0.000 0.481 378 L N 1.397 122.738 121.223 0.196 0.000 2.304 378 L HA 0.838 5.177 4.340 -0.001 0.000 0.268 378 L C -0.441 176.623 176.870 0.323 0.000 1.010 378 L CA -0.743 54.208 54.840 0.186 0.000 0.813 378 L CB 2.479 44.642 42.059 0.172 0.000 1.315 378 L HN 0.938 nan 8.230 nan 0.000 0.445 379 T N 0.006 114.744 114.554 0.306 0.000 2.812 379 T HA 0.356 4.705 4.350 -0.001 0.000 0.294 379 T C -1.044 173.822 174.700 0.277 0.000 1.159 379 T CA -0.715 61.590 62.100 0.340 0.000 1.008 379 T CB 1.601 70.722 68.868 0.422 0.000 1.289 379 T HN 0.222 nan 8.240 nan 0.000 0.514 380 L N 3.324 124.685 121.223 0.229 0.000 2.540 380 L HA 0.353 4.692 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 -0.690 41.444 42.059 0.125 0.000 1.138 380 L HN 0.900 nan 8.230 nan 0.000 0.491 381 N N 1.699 120.462 118.700 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 0.953 39.510 38.487 0.117 0.000 1.579 381 N HN 0.422 nan 8.380 nan 0.000 0.475 382 N N 0.835 119.496 118.700 -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 -0.225 38.215 38.487 -0.078 0.000 1.217 382 N HN 1.025 nan 8.380 nan 0.000 0.498 383 G N 1.837 110.551 108.800 -0.144 0.000 2.527 383 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.262 383 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.262 383 G C 0.828 175.507 174.900 -0.367 0.000 1.153 383 G CA 0.498 45.360 45.100 -0.397 0.000 0.954 383 G HN 0.720 nan 8.290 nan 0.000 0.552 384 S N 0.387 115.836 115.700 -0.418 0.000 2.496 384 S HA 0.287 4.756 4.470 -0.001 0.000 0.224 384 S C 1.107 175.629 174.600 -0.128 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 0.491 120.170 119.800 -0.202 0.000 2.185 385 Q HA 0.749 5.089 4.340 -0.001 0.000 0.225 385 Q C -0.462 175.292 176.000 -0.411 0.000 0.983 385 Q CA -0.512 55.117 55.803 -0.290 0.000 0.950 385 Q CB 1.326 29.933 28.738 -0.220 0.000 1.176 385 Q HN 0.473 nan 8.270 nan 0.000 0.510 386 A N 0.308 122.768 122.820 -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 51.078 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 0.067 119.889 119.914 -0.153 0.000 3.109 387 V HA 0.494 4.614 4.120 -0.001 0.000 0.317 387 V C 1.751 177.813 176.094 -0.054 0.000 1.074 387 V CA 0.299 62.552 62.300 -0.080 0.000 1.033 387 V CB 1.315 33.121 31.823 -0.028 0.000 1.111 387 V HN 1.163 nan 8.190 nan 0.000 0.458 388 G N 0.318 109.098 108.800 -0.033 0.000 2.509 388 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.218 388 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.218 388 G C 1.262 176.168 174.900 0.011 0.000 1.124 388 G CA 0.161 45.253 45.100 -0.014 0.000 0.776 388 G HN 0.653 nan 8.290 nan 0.000 0.547 389 R N 0.515 121.027 120.500 0.020 0.000 2.310 389 R HA 0.188 4.527 4.340 -0.001 0.000 0.202 389 R C 0.594 176.934 176.300 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 30.489 30.300 0.044 0.000 0.985 389 R HN 0.181 nan 8.270 nan 0.000 0.489 390 S N 0.390 116.135 115.700 0.074 0.000 2.589 390 S HA 0.149 4.619 4.470 -0.001 0.000 0.265 390 S C 0.174 174.846 174.600 0.120 0.000 1.342 390 S CA -0.042 58.238 58.200 0.135 0.000 1.005 390 S CB 1.289 64.594 63.200 0.175 0.000 0.909 390 S HN 0.049 nan 8.310 nan 0.000 0.555 391 S N 1.207 116.985 115.700 0.129 0.000 2.532 391 S HA 0.538 5.008 4.470 -0.001 0.000 0.299 391 S C -1.179 173.324 174.600 -0.162 0.000 1.105 391 S CA -0.575 57.566 58.200 -0.098 0.000 1.018 391 S CB 0.870 63.931 63.200 -0.231 0.000 1.021 391 S HN 0.527 nan 8.310 nan 0.000 0.483 392 F N 3.886 123.572 119.950 -0.440 0.000 2.427 392 F HA 0.619 5.146 4.527 -0.001 0.000 0.346 392 F C -1.537 173.940 175.800 -0.538 0.000 1.120 392 F CA -1.252 56.462 58.000 -0.477 0.000 1.033 392 F CB 0.449 39.189 39.000 -0.433 0.000 1.126 392 F HN 0.548 nan 8.300 nan 0.000 0.462 393 Y N 5.224 125.186 120.300 -0.563 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 1.670 39.874 38.460 -0.427 0.000 1.180 393 Y HN 0.721 nan 8.280 nan 0.000 0.458 394 C N 5.957 124.955 119.300 -0.503 0.000 2.281 394 C HA 0.406 4.865 4.460 -0.001 0.000 0.323 394 C C 0.826 175.826 174.990 0.017 0.000 1.270 394 C CA -0.731 58.004 59.018 -0.472 0.000 1.559 394 C CB -0.975 26.464 27.740 -0.500 0.000 2.239 394 C HN 0.976 nan 8.230 nan 0.000 0.488 395 L N 4.387 125.687 121.223 0.129 0.000 2.622 395 L HA 0.096 4.436 4.340 -0.001 0.000 0.233 395 L C 2.230 179.138 176.870 0.062 0.000 1.156 395 L CA 1.301 56.100 54.840 -0.068 0.000 0.866 395 L CB -0.467 41.179 42.059 -0.688 0.000 0.980 395 L HN 0.688 nan 8.230 nan 0.000 0.448 396 E N -1.644 118.746 120.200 0.317 0.000 2.371 396 E HA -0.134 4.216 4.350 -0.001 0.000 0.194 396 E C 1.346 178.042 176.600 0.159 0.000 1.012 396 E CA 0.516 57.108 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 -0.013 0.000 2.477 397 Y HA 0.079 4.629 4.550 -0.001 0.000 0.303 397 Y C -0.299 175.390 175.900 -0.352 0.000 1.202 397 Y CA -0.137 57.870 58.100 -0.156 0.000 1.282 397 Y CB -0.032 38.309 38.460 -0.199 0.000 1.071 397 Y HN -0.229 nan 8.280 nan 0.000 0.510 398 F N 1.338 121.033 119.950 -0.425 0.000 2.436 398 F HA 0.413 4.940 4.527 -0.001 0.000 0.340 398 F C -2.058 173.375 175.800 -0.612 0.000 1.113 398 F CA -3.118 54.472 58.000 -0.682 0.000 1.022 398 F CB 0.753 38.957 39.000 -1.326 0.000 1.128 398 F HN -0.070 nan 8.300 nan 0.000 0.466 399 P HA 0.122 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 0.000 62.991 63.100 -0.182 0.000 0.763 399 P CB 0.534 32.154 31.700 -0.134 0.000 0.790 400 S N 1.838 117.527 115.700 -0.019 0.000 2.548 400 S HA 0.397 4.867 4.470 -0.001 0.000 0.286 400 S C -0.809 173.888 174.600 0.162 0.000 1.098 400 S CA -0.992 57.290 58.200 0.137 0.000 0.930 400 S CB 1.683 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 1.967 121.893 119.800 0.210 0.000 2.279 401 Q HA 0.412 4.752 4.340 -0.001 0.000 0.256 401 Q C -1.002 175.101 176.000 0.172 0.000 0.937 401 Q CA -0.266 55.655 55.803 0.197 0.000 0.933 401 Q CB 0.580 29.490 28.738 0.286 0.000 1.189 401 Q HN 0.747 nan 8.270 nan 0.000 0.417 402 M N 4.301 123.981 119.600 0.133 0.000 2.209 402 M HA 0.339 4.819 4.480 -0.001 0.000 0.355 402 M C -1.180 175.185 176.300 0.108 0.000 1.171 402 M CA -0.676 54.688 55.300 0.107 0.000 1.069 402 M CB 0.980 33.626 32.600 0.076 0.000 1.622 402 M HN 0.445 nan 8.290 nan 0.000 0.459 403 L N 2.650 123.937 121.223 0.106 0.000 2.362 403 L HA 0.604 4.944 4.340 -0.001 0.000 0.275 403 L C -0.176 176.748 176.870 0.090 0.000 0.998 403 L CA -0.356 54.553 54.840 0.115 0.000 0.820 403 L CB 1.762 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 -0.101 120.447 120.500 0.079 0.000 2.606 404 R HA 0.650 4.990 4.340 -0.001 0.000 0.249 404 R C -0.525 175.817 176.300 0.069 0.000 1.127 404 R CA -0.538 55.599 56.100 0.060 0.000 1.133 404 R CB 1.017 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 0.812 115.396 114.554 0.050 0.000 2.784 405 T HA 0.336 4.685 4.350 -0.001 0.000 0.291 405 T C 0.786 175.521 174.700 0.058 0.000 0.942 405 T CA 0.949 63.080 62.100 0.051 0.000 1.161 405 T CB 0.523 69.406 68.868 0.026 0.000 0.885 405 T HN 0.785 nan 8.240 nan 0.000 0.534 406 G N 3.555 112.402 108.800 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 0.018 174.974 174.900 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 1.655 120.421 118.700 0.109 0.000 2.508 407 N HA 0.598 5.338 4.740 -0.001 0.000 0.285 407 N C -0.134 175.481 175.510 0.175 0.000 1.144 407 N CA -0.121 53.006 53.050 0.127 0.000 0.978 407 N CB 1.160 39.722 38.487 0.125 0.000 1.180 407 N HN 0.682 nan 8.380 nan 0.000 0.484 408 N N -0.345 118.467 118.700 0.187 0.000 2.455 408 N HA 0.440 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 52.615 53.050 0.245 0.000 0.780 408 N CB 1.330 39.943 38.487 0.211 0.000 1.520 408 N HN 0.359 nan 8.380 nan 0.000 0.486 409 F N -0.016 120.028 119.950 0.156 0.000 2.520 409 F HA 0.532 5.058 4.527 -0.000 0.000 0.322 409 F C -0.694 175.207 175.800 0.167 0.000 1.103 409 F CA -0.455 57.640 58.000 0.157 0.000 0.926 409 F CB 2.034 41.139 39.000 0.176 0.000 1.154 409 F HN 0.569 nan 8.300 nan 0.000 0.453 410 Q N 5.107 124.539 119.800 -0.614 0.000 2.375 410 Q HA 0.613 4.952 4.340 -0.001 0.000 0.271 410 Q C -2.097 173.674 176.000 -0.382 0.000 1.074 410 Q CA -0.609 54.993 55.803 -0.335 0.000 0.808 410 Q CB 2.166 30.788 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 -1.528 174.262 175.800 -0.017 0.000 1.135 411 F CA -0.250 57.679 58.000 -0.117 0.000 1.015 411 F CB 1.680 40.683 39.000 0.005 0.000 1.275 411 F HN 0.484 nan 8.300 nan 0.000 0.457 412 S N 5.180 120.373 115.700 -0.845 0.000 2.500 412 S HA 0.561 5.031 4.470 -0.001 0.000 0.301 412 S C -1.892 172.187 174.600 -0.868 0.000 1.092 412 S CA -0.555 57.244 58.200 -0.668 0.000 1.030 412 S CB 1.667 64.644 63.200 -0.372 0.000 1.031 412 S HN 0.623 nan 8.310 nan 0.000 0.483 413 Y N 1.351 121.223 120.300 -0.714 0.000 2.545 413 Y HA 0.638 5.188 4.550 -0.001 0.000 0.348 413 Y C -0.959 174.673 175.900 -0.447 0.000 1.002 413 Y CA -0.470 57.277 58.100 -0.589 0.000 1.039 413 Y CB 1.802 39.957 38.460 -0.507 0.000 1.271 413 Y HN 0.522 nan 8.280 nan 0.000 0.467 414 T N 6.306 120.086 114.554 -1.290 0.000 2.864 414 T HA 0.380 4.730 4.350 -0.001 0.000 0.299 414 T C -0.878 173.107 174.700 -1.191 0.000 1.011 414 T CA -0.431 61.098 62.100 -0.951 0.000 0.975 414 T CB -0.087 68.472 68.868 -0.515 0.000 0.962 414 T HN 0.452 nan 8.240 nan 0.000 0.448 415 F N 2.975 122.472 119.950 -0.756 0.000 2.595 415 F HA 0.137 4.664 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 -0.200 57.542 58.000 -0.429 0.000 1.341 415 F CB 0.603 39.436 39.000 -0.278 0.000 1.104 415 F HN 0.563 nan 8.300 nan 0.000 0.603 416 E N 0.659 120.869 120.200 0.017 0.000 2.622 416 E HA 0.174 4.524 4.350 -0.001 0.000 0.255 416 E C -1.185 175.397 176.600 -0.031 0.000 1.313 416 E CA -0.980 55.410 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 0.474 120.851 120.400 -0.038 0.000 2.358 417 D HA 0.226 4.865 4.640 -0.001 0.000 0.258 417 D C -1.137 175.134 176.300 -0.049 0.000 1.223 417 D CA 0.123 54.090 54.000 -0.055 0.000 0.886 417 D CB 1.194 41.975 40.800 -0.032 0.000 1.120 417 D HN 0.230 nan 8.370 nan 0.000 0.482 418 V N 4.568 124.422 119.914 -0.099 0.000 2.668 418 V HA 0.396 4.516 4.120 -0.001 0.000 0.304 418 V C -2.560 173.500 176.094 -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 0.341 nan 8.190 nan 0.000 0.425 419 P HA 0.077 nan 4.420 nan 0.000 0.263 419 P C -0.437 176.995 177.300 0.219 0.000 1.175 419 P CA 0.397 63.580 63.100 0.137 0.000 0.761 419 P CB 0.008 31.791 31.700 0.139 0.000 0.794 420 F N 1.343 121.385 119.950 0.154 0.000 2.628 420 F HA -0.015 4.511 4.527 -0.001 0.000 0.362 420 F C 1.750 177.665 175.800 0.192 0.000 1.148 420 F CA 0.655 58.765 58.000 0.184 0.000 1.352 420 F CB -0.092 38.991 39.000 0.140 0.000 1.081 420 F HN 0.430 nan 8.300 nan 0.000 0.605 421 H N 0.646 119.821 119.070 0.176 0.000 2.607 421 H HA 0.259 4.815 4.556 -0.001 0.000 0.367 421 H C -0.383 174.950 175.328 0.008 0.000 1.181 421 H CA -0.557 55.440 56.048 -0.086 0.000 1.402 421 H CB 0.761 30.231 29.762 -0.487 0.000 1.474 421 H HN 0.449 nan 8.280 nan 0.000 0.596 422 S N 2.758 117.846 115.700 -1.019 0.000 2.681 422 S HA 0.065 4.535 4.470 -0.001 0.000 0.313 422 S C 0.201 174.382 174.600 -0.697 0.000 1.137 422 S CA -0.367 57.349 58.200 -0.807 0.000 1.045 422 S CB 0.054 62.634 63.200 -1.034 0.000 1.208 422 S HN 0.596 nan 8.310 nan 0.000 0.523 423 S N 2.734 118.371 115.700 -0.104 0.000 2.763 423 S HA 0.202 4.672 4.470 -0.001 0.000 0.237 423 S C -0.065 174.593 174.600 0.097 0.000 0.966 423 S CA -0.445 57.812 58.200 0.095 0.000 1.017 423 S CB -0.590 62.787 63.200 0.294 0.000 0.780 423 S HN 0.803 nan 8.310 nan 0.000 0.476 424 Y N -1.581 118.600 120.300 -0.198 0.000 2.638 424 Y HA 0.886 5.436 4.550 -0.001 0.000 0.339 424 Y C -0.767 174.917 175.900 -0.361 0.000 1.084 424 Y CA -1.944 55.966 58.100 -0.317 0.000 1.068 424 Y CB 0.780 38.835 38.460 -0.675 0.000 1.294 424 Y HN -0.066 nan 8.280 nan 0.000 0.480 425 A N 1.245 123.931 122.820 -0.223 0.000 2.449 425 A HA 0.523 4.843 4.320 -0.001 0.000 0.302 425 A C -1.543 175.927 177.584 -0.190 0.000 1.048 425 A CA -0.909 50.957 52.037 -0.284 0.000 0.708 425 A CB 0.707 19.617 19.000 -0.150 0.000 1.274 425 A HN 0.862 nan 8.150 nan 0.000 0.410 426 H N 1.985 121.052 119.070 -0.005 0.000 2.803 426 H HA 0.127 4.683 4.556 -0.001 0.000 0.330 426 H C 1.251 176.575 175.328 -0.008 0.000 1.057 426 H CA 0.922 56.971 56.048 0.001 0.000 1.458 426 H CB 1.186 30.942 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 4.496 4.470 -0.001 0.000 0.219 427 S C 0.677 175.314 174.600 0.062 0.000 0.985 427 S CA -0.092 58.149 58.200 0.069 0.000 0.914 427 S CB 0.558 63.794 63.200 0.060 0.000 0.776 427 S HN 0.571 nan 8.310 nan 0.000 0.526 428 Q N 0.657 120.498 119.800 0.068 0.000 2.252 428 Q HA 0.656 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 -0.628 55.193 55.803 0.031 0.000 0.913 428 Q CB 1.855 30.599 28.738 0.011 0.000 1.286 428 Q HN 0.305 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 0.380 4.850 4.470 -0.001 0.000 0.302 429 S C 0.715 175.296 174.600 -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 1.454 122.657 121.223 -0.034 0.000 2.017 430 L HA -0.077 4.262 4.340 -0.001 0.000 0.208 430 L C 2.020 178.902 176.870 0.020 0.000 1.073 430 L CA 1.891 56.727 54.840 -0.007 0.000 0.745 430 L CB -0.343 41.721 42.059 0.007 0.000 0.894 430 L HN 0.827 nan 8.230 nan 0.000 0.432 431 D N -1.167 119.233 120.400 -0.000 0.000 2.289 431 D HA -0.123 4.517 4.640 -0.001 0.000 0.207 431 D C 0.948 177.241 176.300 -0.012 0.000 0.966 431 D CA 0.385 54.379 54.000 -0.009 0.000 0.868 431 D CB -0.066 40.718 40.800 -0.027 0.000 0.943 431 D HN 0.167 nan 8.370 nan 0.000 0.514 432 R N 0.978 121.473 120.500 -0.009 0.000 3.863 432 R HA 0.229 4.569 4.340 -0.001 0.000 0.304 432 R C 0.730 177.030 176.300 -0.001 0.000 1.485 432 R CA -0.258 55.837 56.100 -0.008 0.000 1.355 432 R CB 0.342 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 4.536 4.340 -0.001 0.000 0.228 433 L C 0.441 177.320 176.870 0.015 0.000 1.075 433 L CA 0.763 55.613 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 -0.719 118.882 119.600 0.002 0.000 1.801 434 M HA 0.215 4.695 4.480 -0.001 0.000 0.198 434 M C 0.444 176.739 176.300 -0.010 0.000 1.248 434 M CA -0.055 55.239 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 0.478 119.168 118.700 -0.017 0.000 2.422 435 N HA 0.347 5.087 4.740 -0.001 0.000 0.266 435 N C -2.212 173.288 175.510 -0.015 0.000 1.007 435 N CA -1.679 51.364 53.050 -0.012 0.000 0.941 435 N CB 1.053 39.535 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 0.902 178.197 177.300 -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 -2.039 119.180 121.223 -0.007 0.000 2.316 437 L HA 0.126 4.466 4.340 -0.001 0.000 0.207 437 L C 1.084 177.952 176.870 -0.004 0.000 1.070 437 L CA 0.758 55.596 54.840 -0.005 0.000 0.820 437 L CB -0.421 41.636 42.059 -0.002 0.000 0.992 437 L HN -0.139 nan 8.230 nan 0.000 0.466 438 I N -0.416 120.150 120.570 -0.007 0.000 2.577 438 I HA 0.283 4.452 4.170 -0.001 0.000 0.305 438 I C -0.514 175.592 176.117 -0.020 0.000 0.986 438 I CA -0.834 60.462 61.300 -0.006 0.000 1.189 438 I CB 1.011 39.012 38.000 0.001 0.000 1.355 438 I HN -0.020 nan 8.210 nan 0.000 0.476 439 D N 2.935 123.324 120.400 -0.018 0.000 2.253 439 D HA 0.359 4.999 4.640 -0.001 0.000 0.249 439 D C 0.059 176.318 176.300 -0.068 0.000 1.049 439 D CA -0.403 53.573 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 0.137 4.476 4.340 -0.001 0.000 0.241 440 Q C 0.175 176.066 176.000 -0.181 0.000 1.008 440 Q CA -0.234 55.434 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 -0.062 175.820 175.900 -0.031 0.000 1.164 441 Y CA -0.494 57.580 58.100 -0.043 0.000 1.274 441 Y CB 0.297 38.763 38.460 0.010 0.000 1.097 441 Y HN 0.249 nan 8.280 nan 0.000 0.523 442 L N 0.910 122.099 121.223 -0.057 0.000 2.399 442 L HA 0.370 4.709 4.340 -0.001 0.000 0.265 442 L C -1.021 175.827 176.870 -0.036 0.000 1.089 442 L CA -0.943 53.934 54.840 0.063 0.000 0.802 442 L CB 0.934 42.983 42.059 -0.017 0.000 1.180 442 L HN 0.095 nan 8.230 nan 0.000 0.454 443 Y N 0.508 120.868 120.300 0.101 0.000 2.429 443 Y HA 0.460 5.010 4.550 -0.001 0.000 0.342 443 Y C -0.411 175.596 175.900 0.178 0.000 1.004 443 Y CA -0.574 57.582 58.100 0.093 0.000 1.075 443 Y CB 1.789 40.236 38.460 -0.021 0.000 1.214 443 Y HN 0.383 nan 8.280 nan 0.000 0.455 444 Y N 0.380 120.827 120.300 0.246 0.000 2.605 444 Y HA 0.735 5.285 4.550 -0.001 0.000 0.343 444 Y C -1.701 174.402 175.900 0.338 0.000 1.036 444 Y CA -1.753 56.481 58.100 0.223 0.000 1.065 444 Y CB 1.162 39.684 38.460 0.103 0.000 1.288 444 Y HN 0.545 nan 8.280 nan 0.000 0.481 445 L N 2.884 124.316 121.223 0.347 0.000 2.276 445 L HA 0.404 4.743 4.340 -0.001 0.000 0.286 445 L C 0.006 176.928 176.870 0.087 0.000 1.061 445 L CA -0.165 54.740 54.840 0.110 0.000 0.807 445 L CB 0.881 42.978 42.059 0.063 0.000 1.177 445 L HN 1.070 nan 8.230 nan 0.000 0.429 446 N N 2.187 120.854 118.700 -0.054 0.000 2.145 446 N HA 0.174 4.913 4.740 -0.001 0.000 0.219 446 N C -0.488 175.007 175.510 -0.025 0.000 1.266 446 N CA -0.648 52.431 53.050 0.049 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 0.964 121.398 120.500 -0.111 0.000 2.502 447 R HA 0.263 4.602 4.340 -0.001 0.000 0.300 447 R C -0.004 176.208 176.300 -0.148 0.000 0.984 447 R CA -0.311 55.725 56.100 -0.107 0.000 0.882 447 R CB 1.479 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 -1.788 112.707 114.554 -0.098 0.000 3.034 448 T HA -0.044 4.305 4.350 -0.001 0.000 0.248 448 T C 1.221 175.875 174.700 -0.076 0.000 1.040 448 T CA 0.485 62.528 62.100 -0.096 0.000 1.107 448 T CB 0.406 69.237 68.868 -0.060 0.000 0.932 448 T HN 0.586 nan 8.240 nan 0.000 0.474 449 Q N 0.969 120.734 119.800 -0.059 0.000 2.534 449 Q HA 0.371 4.711 4.340 -0.001 0.000 0.207 449 Q C 1.597 177.573 176.000 -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 2.267 111.045 108.800 -0.036 0.000 2.230 450 G HA2 0.196 4.155 3.960 -0.001 0.000 0.282 450 G HA3 0.196 4.155 3.960 -0.001 0.000 0.282 450 G C -0.307 174.574 174.900 -0.032 0.000 0.999 450 G CA 0.767 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 0.953 115.490 114.554 -0.028 0.000 2.849 451 T HA 0.307 4.657 4.350 -0.001 0.000 0.272 451 T C 1.027 175.716 174.700 -0.019 0.000 1.046 451 T CA -0.524 61.559 62.100 -0.027 0.000 0.983 451 T CB 0.541 69.393 68.868 -0.028 0.000 1.721 451 T HN 0.164 nan 8.240 nan 0.000 0.594 452 T N 2.729 117.274 114.554 -0.016 0.000 4.216 452 T HA 0.106 4.455 4.350 -0.001 0.000 0.221 452 T C 0.457 175.151 174.700 -0.011 0.000 0.939 452 T CA 0.129 62.222 62.100 -0.011 0.000 1.218 452 T CB -0.789 68.073 68.868 -0.009 0.000 1.266 452 T HN 0.494 nan 8.240 nan 0.000 0.917 453 S N 1.946 117.639 115.700 -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 58.373 58.200 -0.010 0.000 1.088 453 S CB -0.124 63.070 63.200 -0.011 0.000 1.018 453 S HN 0.843 nan 8.310 nan 0.000 0.511 454 G N 3.583 112.378 108.800 -0.008 0.000 4.170 454 G HA2 0.161 4.120 3.960 -0.001 0.000 0.143 454 G HA3 0.161 4.120 3.960 -0.001 0.000 0.143 454 G C -0.295 174.601 174.900 -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 2.283 116.833 114.554 -0.006 0.000 2.794 455 T HA 0.498 4.848 4.350 -0.001 0.000 0.280 455 T C 0.347 175.043 174.700 -0.007 0.000 0.987 455 T CA 0.611 62.707 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 0.608 nan 8.240 nan 0.000 0.449 456 T N 3.654 118.204 114.554 -0.007 0.000 3.760 456 T HA -0.171 4.179 4.350 -0.001 0.000 0.366 456 T C 0.148 174.842 174.700 -0.009 0.000 0.761 456 T CA 0.548 62.644 62.100 -0.007 0.000 1.887 456 T CB -1.211 67.653 68.868 -0.006 0.000 1.811 456 T HN 0.621 nan 8.240 nan 0.000 0.749 457 N N 1.619 120.313 118.700 -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 1.292 39.771 38.487 -0.014 0.000 1.162 457 N HN 0.530 nan 8.380 nan 0.000 0.503 458 Q N 0.281 120.072 119.800 -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 56.714 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 -0.842 114.844 115.700 -0.023 0.000 2.550 459 S HA 0.761 5.230 4.470 -0.001 0.000 0.270 459 S C -1.031 173.546 174.600 -0.037 0.000 1.145 459 S CA -1.038 57.143 58.200 -0.031 0.000 0.852 459 S CB 3.071 66.254 63.200 -0.029 0.000 1.119 459 S HN 0.449 nan 8.310 nan 0.000 0.465 460 R N 1.069 121.536 120.500 -0.054 0.000 2.579 460 R HA 0.394 4.734 4.340 -0.001 0.000 0.260 460 R C -1.966 174.265 176.300 -0.115 0.000 1.103 460 R CA -0.751 55.310 56.100 -0.066 0.000 0.942 460 R CB 1.055 31.323 30.300 -0.055 0.000 1.251 460 R HN 0.806 nan 8.270 nan 0.000 0.450 461 L N 5.684 126.825 121.223 -0.137 0.000 2.325 461 L HA 0.393 4.733 4.340 -0.001 0.000 0.284 461 L C -0.469 176.141 176.870 -0.434 0.000 1.089 461 L CA -0.226 54.443 54.840 -0.284 0.000 0.836 461 L CB 0.592 42.529 42.059 -0.204 0.000 1.184 461 L HN 0.376 nan 8.230 nan 0.000 0.444 462 L N 4.124 125.011 121.223 -0.561 0.000 2.385 462 L HA 0.573 4.913 4.340 -0.001 0.000 0.273 462 L C -0.829 175.666 176.870 -0.624 0.000 0.990 462 L CA -0.421 54.145 54.840 -0.457 0.000 0.821 462 L CB 1.918 43.852 42.059 -0.207 0.000 1.279 462 L HN 0.336 nan 8.230 nan 0.000 0.412 463 F N 0.275 120.181 119.950 -0.073 0.000 2.522 463 F HA 0.582 5.109 4.527 -0.001 0.000 0.324 463 F C 0.380 176.123 175.800 -0.095 0.000 1.077 463 F CA -0.585 57.354 58.000 -0.101 0.000 0.944 463 F CB 2.197 41.165 39.000 -0.053 0.000 1.175 463 F HN 0.260 nan 8.300 nan 0.000 0.468 464 S N 0.667 116.274 115.700 -0.156 0.000 2.536 464 S HA 0.321 4.791 4.470 -0.001 0.000 0.298 464 S C -1.024 173.385 174.600 -0.319 0.000 1.083 464 S CA -0.868 57.194 58.200 -0.230 0.000 0.995 464 S CB 1.822 64.788 63.200 -0.391 0.000 1.058 464 S HN 0.638 nan 8.310 nan 0.000 0.488 465 Q N 2.119 121.753 119.800 -0.276 0.000 2.288 465 Q HA 0.543 4.883 4.340 -0.001 0.000 0.258 465 Q C -0.227 175.713 176.000 -0.101 0.000 0.957 465 Q CA -0.712 54.718 55.803 -0.622 0.000 0.919 465 Q CB 0.775 29.082 28.738 -0.719 0.000 1.185 465 Q HN 0.782 nan 8.270 nan 0.000 0.408 466 A N 3.397 126.255 122.820 0.063 0.000 2.565 466 A HA 0.460 4.780 4.320 -0.001 0.000 0.237 466 A C 0.329 177.914 177.584 0.002 0.000 1.053 466 A CA 0.774 52.892 52.037 0.135 0.000 0.755 466 A CB 0.093 19.087 19.000 -0.010 0.000 0.980 466 A HN 0.888 nan 8.150 nan 0.000 0.506 467 G N 1.083 109.894 108.800 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 -1.025 44.071 45.100 -0.007 0.000 0.938 467 G HN 0.303 nan 8.290 nan 0.000 0.490 468 P HA -0.054 nan 4.420 nan 0.000 0.222 468 P C 1.512 178.804 177.300 -0.013 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 1.082 177.084 176.000 0.002 0.000 0.964 469 Q CA 1.326 57.132 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 -0.022 115.681 115.700 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 57.874 58.200 -0.023 0.000 1.021 470 S CB 0.146 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 2.339 121.900 119.600 -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 1.565 56.823 55.300 -0.071 0.000 1.131 471 M CB -0.062 32.512 32.600 -0.044 0.000 1.368 471 M HN 0.676 nan 8.290 nan 0.000 0.416 472 S N -0.735 114.910 115.700 -0.092 0.000 2.679 472 S HA 0.210 4.680 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 57.844 58.200 -0.099 0.000 0.973 472 S CB -0.385 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 -0.491 120.596 121.223 -0.226 0.000 2.993 473 L HA 0.310 4.649 4.340 -0.001 0.000 0.264 473 L C 0.655 177.223 176.870 -0.503 0.000 1.154 473 L CA -0.234 54.370 54.840 -0.393 0.000 0.972 473 L CB 0.172 41.900 42.059 -0.552 0.000 1.373 473 L HN 0.254 nan 8.230 nan 0.000 0.564 474 Q N 1.196 120.795 119.800 -0.335 0.000 2.432 474 Q HA 0.335 4.675 4.340 -0.001 0.000 0.264 474 Q C 0.507 176.391 176.000 -0.193 0.000 1.035 474 Q CA -0.098 55.548 55.803 -0.262 0.000 0.908 474 Q CB 0.970 29.607 28.738 -0.169 0.000 1.280 474 Q HN 0.273 nan 8.270 nan 0.000 0.455 475 A N 1.925 124.654 122.820 -0.151 0.000 2.520 475 A HA 0.196 4.516 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 0.258 52.227 52.037 -0.114 0.000 0.764 475 A CB 0.306 19.247 19.000 -0.098 0.000 1.002 475 A HN 0.578 nan 8.150 nan 0.000 0.502 476 R N 0.332 120.765 120.500 -0.111 0.000 2.807 476 R HA 0.449 4.789 4.340 -0.001 0.000 0.276 476 R C 0.228 176.410 176.300 -0.197 0.000 0.979 476 R CA -0.617 55.415 56.100 -0.113 0.000 0.928 476 R CB 1.149 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 0.231 118.744 118.700 -0.312 0.000 2.250 477 N HA 0.163 4.903 4.740 -0.001 0.000 0.190 477 N C -1.022 173.879 175.510 -1.015 0.000 1.116 477 N CA 0.339 52.936 53.050 -0.756 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 0.080 121.380 121.300 -0.001 0.000 3.083 478 W HA 0.546 5.205 4.660 -0.001 0.000 0.333 478 W C -0.697 175.834 176.519 0.019 0.000 1.217 478 W CA -0.766 56.586 57.345 0.012 0.000 1.170 478 W CB 0.810 30.270 29.460 -0.001 0.000 1.437 478 W HN -0.371 nan 8.180 nan 0.000 0.557 479 L N 2.019 123.425 121.223 0.304 0.000 2.303 479 L HA 0.652 4.992 4.340 -0.001 0.000 0.266 479 L C -2.142 174.853 176.870 0.208 0.000 1.011 479 L CA -2.725 52.238 54.840 0.204 0.000 0.818 479 L CB 0.533 42.712 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 -0.116 177.342 177.300 0.264 0.000 1.256 480 P CA -0.373 62.828 63.100 0.168 0.000 0.795 480 P CB 0.443 32.192 31.700 0.083 0.000 1.038 481 G N 0.680 109.641 108.800 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 -0.931 44.317 45.100 0.246 0.000 0.874 481 G HN 0.362 nan 8.290 nan 0.000 0.561 482 P HA 0.209 nan 4.420 nan 0.000 0.273 482 P C 0.106 177.332 177.300 -0.123 0.000 1.258 482 P CA -0.031 62.942 63.100 -0.213 0.000 0.802 482 P CB 0.600 32.063 31.700 -0.395 0.000 1.040 483 C N -1.876 117.332 119.300 -0.154 0.000 3.285 483 C HA 0.706 5.165 4.460 -0.001 0.000 0.325 483 C C -1.718 173.297 174.990 0.041 0.000 1.304 483 C CA -0.721 58.277 59.018 -0.033 0.000 1.319 483 C CB 0.696 28.457 27.740 0.036 0.000 1.640 483 C HN 0.603 nan 8.230 nan 0.000 0.477 484 Y N 1.716 121.973 120.300 -0.070 0.000 2.379 484 Y HA 0.491 5.040 4.550 -0.001 0.000 0.342 484 Y C 0.340 176.226 175.900 -0.023 0.000 1.126 484 Y CA -0.327 57.740 58.100 -0.054 0.000 1.310 484 Y CB 0.510 38.945 38.460 -0.042 0.000 1.115 484 Y HN 1.055 nan 8.280 nan 0.000 0.505 485 R N 3.691 124.074 120.500 -0.195 0.000 2.500 485 R HA 0.017 4.356 4.340 -0.001 0.000 0.281 485 R C -0.476 175.747 176.300 -0.130 0.000 0.953 485 R CA 0.809 56.827 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 0.608 nan 8.270 nan 0.000 0.410 486 Q N 2.320 122.077 119.800 -0.070 0.000 2.297 486 Q HA 0.140 4.480 4.340 -0.001 0.000 0.268 486 Q C -0.828 175.110 176.000 -0.104 0.000 1.045 486 Q CA -0.939 54.811 55.803 -0.088 0.000 0.861 486 Q CB 1.834 30.517 28.738 -0.093 0.000 1.344 486 Q HN 0.515 nan 8.270 nan 0.000 0.452 487 Q N 1.233 120.967 119.800 -0.111 0.000 2.327 487 Q HA 0.139 4.478 4.340 -0.001 0.000 0.254 487 Q C -0.759 175.179 176.000 -0.103 0.000 0.952 487 Q CA 0.150 55.903 55.803 -0.083 0.000 0.884 487 Q CB 0.751 29.486 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 2.079 123.182 121.223 -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 54.533 54.840 -0.224 0.000 0.819 489 L CB 2.040 43.693 42.059 -0.676 0.000 1.311 489 L HN 0.586 nan 8.230 nan 0.000 0.423 490 S N 0.229 115.992 115.700 0.104 0.000 2.549 490 S HA 0.435 4.905 4.470 -0.001 0.000 0.297 490 S C 0.770 175.452 174.600 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 1.321 121.776 120.400 0.092 0.000 2.288 491 K HA 0.027 4.346 4.320 -0.001 0.000 0.201 491 K C 0.224 176.834 176.600 0.017 0.000 1.048 491 K CA 0.691 57.032 56.287 0.091 0.000 0.956 491 K CB -0.224 32.274 32.500 -0.003 0.000 0.746 491 K HN 0.496 nan 8.250 nan 0.000 0.461 492 T N 1.873 116.408 114.554 -0.032 0.000 2.738 492 T HA 0.179 4.528 4.350 -0.001 0.000 0.293 492 T C 0.598 175.309 174.700 0.018 0.000 0.913 492 T CA -0.288 61.799 62.100 -0.022 0.000 1.103 492 T CB 1.233 70.071 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 4.366 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 0.099 52.161 52.037 0.041 0.000 0.985 493 A CB -0.671 18.347 19.000 0.030 0.000 0.858 493 A HN 0.948 nan 8.150 nan 0.000 0.496 494 N N -2.653 116.072 118.700 0.043 0.000 2.067 494 N HA -0.029 4.711 4.740 -0.001 0.000 0.227 494 N C -0.332 175.212 175.510 0.057 0.000 1.348 494 N CA 0.250 53.327 53.050 0.045 0.000 0.879 494 N CB 0.098 38.603 38.487 0.030 0.000 1.109 494 N HN 0.113 nan 8.380 nan 0.000 0.501 495 D N 1.026 121.467 120.400 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 0.673 54.733 54.000 0.099 0.000 0.865 495 D CB 0.014 40.893 40.800 0.132 0.000 0.939 495 D HN 0.268 nan 8.370 nan 0.000 0.510 496 N N 1.112 119.885 118.700 0.121 0.000 2.445 496 N HA 0.013 4.753 4.740 -0.001 0.000 0.264 496 N C 0.062 175.645 175.510 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 39.009 38.487 0.214 0.000 1.188 496 N HN 0.027 nan 8.380 nan 0.000 0.491 497 N N 0.858 119.628 118.700 0.116 0.000 2.492 497 N HA -0.088 4.652 4.740 -0.001 0.000 0.262 497 N C -0.258 175.341 175.510 0.148 0.000 1.202 497 N CA 0.235 53.325 53.050 0.066 0.000 0.926 497 N CB 0.086 38.525 38.487 -0.079 0.000 1.078 497 N HN 0.450 nan 8.380 nan 0.000 0.454 498 N N 1.876 120.631 118.700 0.093 0.000 3.193 498 N HA -0.024 4.715 4.740 -0.001 0.000 0.312 498 N C -1.038 174.538 175.510 0.110 0.000 1.261 498 N CA -0.164 52.943 53.050 0.094 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 0.309 116.122 115.700 0.188 0.000 2.537 499 S HA 0.196 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 -1.124 57.202 58.200 0.209 0.000 0.870 499 S CB 1.428 64.732 63.200 0.174 0.000 1.112 499 S HN 0.244 nan 8.310 nan 0.000 0.466 500 N N 1.337 120.150 118.700 0.187 0.000 2.439 500 N HA 0.430 5.170 4.740 -0.001 0.000 0.243 500 N C -0.397 175.209 175.510 0.161 0.000 1.088 500 N CA -0.846 52.259 53.050 0.091 0.000 0.940 500 N CB -0.316 38.198 38.487 0.044 0.000 1.180 500 N HN 0.677 nan 8.380 nan 0.000 0.505 501 F N 1.791 121.780 119.950 0.065 0.000 2.805 501 F HA 0.550 5.077 4.527 -0.001 0.000 0.317 501 F C -2.022 173.838 175.800 0.099 0.000 1.146 501 F CA -1.601 56.441 58.000 0.070 0.000 1.265 501 F CB 0.670 39.690 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 0.616 178.062 177.300 0.244 0.000 1.241 502 P CA 1.004 64.108 63.100 0.007 0.000 0.781 502 P CB -0.094 31.585 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 0.505 177.063 176.519 0.066 0.000 1.082 503 W CA 0.664 58.034 57.345 0.042 0.000 1.537 503 W CB 0.018 29.482 29.460 0.008 0.000 0.639 503 W HN -0.108 nan 8.180 nan 0.000 0.912 504 T N -0.684 113.934 114.554 0.105 0.000 3.100 504 T HA 0.346 4.696 4.350 -0.001 0.000 0.253 504 T C 1.166 175.865 174.700 -0.001 0.000 1.118 504 T CA 0.955 63.057 62.100 0.003 0.000 1.058 504 T CB 0.364 69.304 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 0.147 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 0.294 123.159 122.820 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 -0.182 51.930 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 1.389 117.167 115.700 0.130 0.000 2.510 507 S HA 0.381 4.850 4.470 -0.001 0.000 0.279 507 S C -0.009 174.715 174.600 0.208 0.000 1.284 507 S CA -0.163 58.130 58.200 0.155 0.000 1.059 507 S CB 0.001 63.322 63.200 0.202 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 0.598 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 55.235 56.287 0.024 0.000 0.868 508 K CB 1.345 33.699 32.500 -0.243 0.000 1.421 508 K HN 0.563 nan 8.250 nan 0.000 0.444 509 Y N -1.513 118.819 120.300 0.053 0.000 2.630 509 Y HA 0.620 5.169 4.550 -0.001 0.000 0.337 509 Y C -0.688 175.287 175.900 0.125 0.000 1.051 509 Y CA -1.021 57.118 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 0.750 nan 8.280 nan 0.000 0.498 510 H N 1.749 120.960 119.070 0.234 0.000 2.865 510 H HA 0.628 5.184 4.556 -0.001 0.000 0.362 510 H C -2.393 173.065 175.328 0.216 0.000 1.114 510 H CA -1.185 54.946 56.048 0.138 0.000 1.208 510 H CB 1.619 31.417 29.762 0.060 0.000 1.727 510 H HN 0.886 nan 8.280 nan 0.000 0.534 511 L N 3.495 124.761 121.223 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 1.546 43.672 42.059 0.111 0.000 1.279 511 L HN 0.839 nan 8.230 nan 0.000 0.412 512 N N 2.377 121.111 118.700 0.056 0.000 2.741 512 N HA -0.185 4.554 4.740 -0.001 0.000 0.250 512 N C 0.698 176.307 175.510 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 3.632 3.960 -0.001 0.000 0.252 513 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.252 513 G C -0.145 174.902 174.900 0.244 0.000 1.024 513 G CA 0.525 45.817 45.100 0.320 0.000 0.755 513 G HN 0.722 nan 8.290 nan 0.000 0.507 514 R N 0.496 121.167 120.500 0.285 0.000 2.451 514 R HA 0.370 4.709 4.340 -0.001 0.000 0.307 514 R C -1.134 175.279 176.300 0.190 0.000 0.965 514 R CA -0.842 55.379 56.100 0.201 0.000 0.865 514 R CB 0.762 31.163 30.300 0.169 0.000 1.174 514 R HN 0.089 nan 8.270 nan 0.000 0.455 515 D N 1.754 122.254 120.400 0.168 0.000 2.425 515 D HA 0.134 4.773 4.640 -0.001 0.000 0.247 515 D C -0.710 175.619 176.300 0.048 0.000 1.147 515 D CA 0.808 54.870 54.000 0.104 0.000 0.879 515 D CB 1.492 42.376 40.800 0.141 0.000 1.179 515 D HN 0.374 nan 8.370 nan 0.000 0.456 516 S N 1.525 117.061 115.700 -0.272 0.000 2.571 516 S HA 0.284 4.754 4.470 -0.001 0.000 0.284 516 S C -0.614 173.706 174.600 -0.468 0.000 1.128 516 S CA -0.760 57.202 58.200 -0.397 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 0.336 4.676 4.340 -0.001 0.000 0.274 517 L C -0.357 176.474 176.870 -0.065 0.000 1.135 517 L CA 0.113 54.893 54.840 -0.100 0.000 0.870 517 L CB 0.531 42.572 42.059 -0.030 0.000 1.154 517 L HN 0.522 nan 8.230 nan 0.000 0.462 518 V N 6.896 126.843 119.914 0.055 0.000 2.242 518 V HA 0.024 4.144 4.120 -0.001 0.000 0.242 518 V C 1.240 177.423 176.094 0.148 0.000 1.240 518 V CA 0.026 62.443 62.300 0.195 0.000 1.211 518 V CB -0.693 31.286 31.823 0.260 0.000 1.338 518 V HN 0.918 nan 8.190 nan 0.000 0.499 519 N N 6.356 125.075 118.700 0.033 0.000 2.054 519 N HA 0.010 4.750 4.740 -0.001 0.000 0.193 519 N C -1.812 173.837 175.510 0.233 0.000 1.066 519 N CA 0.799 53.863 53.050 0.023 0.000 0.853 519 N CB -0.426 38.033 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 0.809 32.574 31.700 0.108 0.000 1.762 521 G N 4.635 113.527 108.800 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 -0.182 177.143 177.300 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 31.972 31.700 -0.067 0.000 0.858 523 A N 3.543 126.391 122.820 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 0.363 52.458 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 2.065 121.722 119.600 0.096 0.000 2.644 524 M HA 0.588 5.067 4.480 -0.001 0.000 0.304 524 M C 0.235 176.589 176.300 0.090 0.000 1.215 524 M CA -0.546 54.808 55.300 0.089 0.000 0.871 524 M CB 2.241 34.890 32.600 0.083 0.000 1.740 524 M HN 0.636 nan 8.290 nan 0.000 0.464 525 A N 0.895 123.757 122.820 0.070 0.000 2.425 525 A HA 0.354 4.674 4.320 -0.001 0.000 0.249 525 A C 0.785 178.413 177.584 0.075 0.000 1.084 525 A CA -0.258 51.810 52.037 0.051 0.000 0.781 525 A CB 0.261 19.263 19.000 0.004 0.000 1.019 525 A HN 0.925 nan 8.150 nan 0.000 0.490 526 S N 0.650 116.416 115.700 0.109 0.000 2.371 526 S HA -0.008 4.461 4.470 -0.001 0.000 0.224 526 S C 0.749 175.513 174.600 0.273 0.000 1.029 526 S CA 1.509 59.841 58.200 0.219 0.000 0.978 526 S CB -0.281 63.120 63.200 0.334 0.000 0.833 526 S HN 0.957 nan 8.310 nan 0.000 0.466 527 H N 0.282 119.420 119.070 0.114 0.000 3.016 527 H HA 0.507 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 0.949 30.808 29.762 0.162 0.000 1.850 527 H HN 0.131 nan 8.280 nan 0.000 0.549 528 K N 0.991 121.453 120.400 0.103 0.000 2.117 528 K HA 0.199 4.519 4.320 -0.001 0.000 0.240 528 K C -0.621 176.034 176.600 0.091 0.000 1.031 528 K CA -0.692 55.614 56.287 0.032 0.000 0.909 528 K CB 0.609 33.130 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 0.053 0.000 2.443 529 D HA 0.008 4.647 4.640 -0.001 0.000 0.239 529 D C -0.409 175.963 176.300 0.120 0.000 1.136 529 D CA 0.904 54.953 54.000 0.081 0.000 0.879 529 D CB 0.226 41.052 40.800 0.043 0.000 1.195 529 D HN 0.602 nan 8.370 nan 0.000 0.443 530 D N 1.360 121.841 120.400 0.136 0.000 2.835 530 D HA -0.155 4.484 4.640 -0.001 0.000 0.230 530 D C 0.585 176.971 176.300 0.143 0.000 1.130 530 D CA 0.860 54.930 54.000 0.117 0.000 0.738 530 D CB -0.650 40.199 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 0.440 177.064 176.600 0.039 0.000 1.267 531 E CA -0.145 56.370 56.400 0.192 0.000 1.353 531 E CB 0.343 30.243 29.700 0.334 0.000 2.031 531 E HN 0.049 nan 8.360 nan 0.000 0.522 532 E N 0.890 121.002 120.200 -0.146 0.000 2.586 532 E HA -0.257 4.092 4.350 -0.001 0.000 0.259 532 E C 0.263 176.676 176.600 -0.312 0.000 1.107 532 E CA 1.452 57.528 56.400 -0.540 0.000 0.754 532 E CB -1.134 28.458 29.700 -0.180 0.000 1.335 532 E HN 0.391 nan 8.360 nan 0.000 0.411 533 K N -1.823 118.434 120.400 -0.239 0.000 2.574 533 K HA 0.161 4.481 4.320 -0.001 0.000 0.215 533 K C 0.041 176.497 176.600 -0.239 0.000 1.485 533 K CA -0.159 55.970 56.287 -0.263 0.000 1.006 533 K CB 0.207 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 3.565 123.541 119.950 0.043 0.000 2.390 534 F HA 0.361 4.887 4.527 -0.001 0.000 0.361 534 F C -0.050 175.833 175.800 0.138 0.000 1.124 534 F CA -1.312 56.731 58.000 0.072 0.000 1.149 534 F CB 0.590 39.608 39.000 0.031 0.000 1.160 534 F HN 0.014 nan 8.300 nan 0.000 0.501 535 F N 3.159 123.204 119.950 0.158 0.000 2.470 535 F HA 0.826 5.353 4.527 -0.001 0.000 0.329 535 F C -3.007 172.862 175.800 0.115 0.000 1.072 535 F CA -3.621 54.453 58.000 0.123 0.000 0.989 535 F CB 0.498 39.536 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 -0.453 176.721 177.300 -0.209 0.000 1.218 536 P CA -0.426 62.614 63.100 -0.100 0.000 0.780 536 P CB 0.739 32.446 31.700 0.011 0.000 0.901 537 M N 4.988 124.408 119.600 -0.300 0.000 2.734 537 M HA -0.049 4.430 4.480 -0.001 0.000 0.356 537 M C 0.925 176.893 176.300 -0.554 0.000 1.790 537 M CA 0.720 55.830 55.300 -0.316 0.000 1.231 537 M CB -1.299 31.131 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 0.428 175.838 175.328 0.137 0.000 1.138 538 H CA 0.472 56.613 56.048 0.155 0.000 1.142 538 H CB -2.194 27.633 29.762 0.108 0.000 1.410 538 H HN 0.917 nan 8.280 nan 0.000 0.409 539 G N 0.915 109.780 108.800 0.108 0.000 3.262 539 G HA2 0.106 4.066 3.960 -0.001 0.000 0.228 539 G HA3 0.106 4.066 3.960 -0.001 0.000 0.228 539 G C 0.357 175.354 174.900 0.161 0.000 1.197 539 G CA 0.325 45.498 45.100 0.121 0.000 0.819 539 G HN 0.917 nan 8.290 nan 0.000 0.531 540 N N -1.198 117.600 118.700 0.163 0.000 3.322 540 N HA 0.112 4.852 4.740 -0.001 0.000 0.233 540 N C -1.730 173.797 175.510 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 0.798 121.984 121.223 -0.061 0.000 2.367 541 L HA 0.443 4.782 4.340 -0.001 0.000 0.275 541 L C 0.059 176.663 176.870 -0.444 0.000 1.129 541 L CA 0.130 54.810 54.840 -0.267 0.000 0.839 541 L CB 0.147 42.002 42.059 -0.339 0.000 1.133 541 L HN 0.473 nan 8.230 nan 0.000 0.453 542 I N 3.740 124.041 120.570 -0.448 0.000 2.389 542 I HA 0.343 4.513 4.170 -0.001 0.000 0.288 542 I C -0.664 175.186 176.117 -0.445 0.000 0.999 542 I CA -0.407 60.672 61.300 -0.368 0.000 1.129 542 I CB 1.015 38.903 38.000 -0.186 0.000 1.288 542 I HN 0.308 nan 8.210 nan 0.000 0.444 543 F N 3.084 122.989 119.950 -0.074 0.000 2.422 543 F HA 0.580 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 -0.643 57.326 58.000 -0.052 0.000 1.038 543 F CB 1.656 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 2.738 111.627 108.800 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 -0.565 174.361 174.900 0.043 0.000 1.172 544 G CA -0.743 44.393 45.100 0.060 0.000 0.854 544 G HN 0.545 nan 8.290 nan 0.000 0.485 545 K N 0.790 121.190 120.400 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 0.344 120.507 120.200 -0.061 0.000 2.415 546 E HA 0.082 4.431 4.350 -0.001 0.000 0.263 546 E C -0.186 176.391 176.600 -0.038 0.000 0.995 546 E CA 1.088 57.459 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 3.568 112.357 108.800 -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 -0.451 174.438 174.900 -0.019 0.000 0.993 547 G CA 0.252 45.342 45.100 -0.017 0.000 1.327 547 G HN 0.612 nan 8.290 nan 0.000 0.485 548 T N 1.204 115.751 114.554 -0.012 0.000 3.705 548 T HA 0.433 4.783 4.350 -0.001 0.000 0.342 548 T C 0.376 175.071 174.700 -0.009 0.000 1.043 548 T CA -0.104 61.988 62.100 -0.014 0.000 1.071 548 T CB 1.197 70.055 68.868 -0.016 0.000 1.124 548 T HN 0.636 nan 8.240 nan 0.000 0.467 549 T N 2.383 116.930 114.554 -0.011 0.000 2.906 549 T HA 0.211 4.561 4.350 -0.001 0.000 0.329 549 T C 1.632 176.325 174.700 -0.011 0.000 1.091 549 T CA 0.325 62.419 62.100 -0.010 0.000 1.127 549 T CB 0.458 69.318 68.868 -0.013 0.000 1.035 549 T HN 0.758 nan 8.240 nan 0.000 0.547 550 A N 1.956 124.770 122.820 -0.011 0.000 2.206 550 A HA 0.232 4.552 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 0.234 52.263 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 0.359 116.046 115.700 -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 2.243 120.927 118.700 -0.027 0.000 2.607 552 N HA -0.201 4.539 4.740 -0.001 0.000 0.285 552 N C -0.332 175.165 175.510 -0.022 0.000 1.151 552 N CA 0.535 53.571 53.050 -0.024 0.000 0.749 552 N CB -0.540 37.933 38.487 -0.024 0.000 0.923 552 N HN 0.657 nan 8.380 nan 0.000 0.552 553 A N 0.790 123.596 122.820 -0.022 0.000 2.252 553 A HA 0.578 4.898 4.320 -0.001 0.000 0.305 553 A C 0.467 178.037 177.584 -0.024 0.000 1.097 553 A CA -0.391 51.633 52.037 -0.022 0.000 0.849 553 A CB 0.768 19.754 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 0.245 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 -0.268 56.116 56.400 -0.026 0.000 0.907 554 E CB 0.699 30.384 29.700 -0.025 0.000 1.014 554 E HN 0.513 nan 8.360 nan 0.000 0.427 555 L N 2.072 123.275 121.223 -0.034 0.000 2.191 555 L HA -0.067 4.273 4.340 -0.001 0.000 0.212 555 L C 0.687 177.521 176.870 -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 41.940 42.059 -0.039 0.000 0.908 555 L HN 0.521 nan 8.230 nan 0.000 0.438 556 D N -0.703 119.669 120.400 -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 40.758 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 -0.017 175.468 175.510 -0.041 0.000 1.151 557 N CA 0.057 53.081 53.050 -0.042 0.000 0.878 557 N CB 1.668 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 -2.177 117.706 119.914 -0.051 0.000 3.074 558 V HA 0.660 4.780 4.120 -0.001 0.000 0.314 558 V C -0.411 175.649 176.094 -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 3.290 122.873 119.600 -0.028 0.000 2.043 559 M HA 0.583 5.063 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 -0.145 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 2.604 123.101 120.570 -0.122 0.000 2.365 560 I HA 0.325 4.495 4.170 -0.001 0.000 0.291 560 I C 0.631 176.690 176.117 -0.097 0.000 1.004 560 I CA -0.662 60.534 61.300 -0.174 0.000 1.311 560 I CB 1.457 39.251 38.000 -0.344 0.000 1.401 560 I HN 0.597 nan 8.210 nan 0.000 0.491 561 T N 0.518 115.016 114.554 -0.094 0.000 2.806 561 T HA 0.279 4.628 4.350 -0.001 0.000 0.290 561 T C -0.489 174.254 174.700 0.071 0.000 0.966 561 T CA -0.838 61.223 62.100 -0.064 0.000 1.060 561 T CB 1.608 70.310 68.868 -0.276 0.000 0.927 561 T HN 0.409 nan 8.240 nan 0.000 0.485 562 D N 1.942 122.432 120.400 0.149 0.000 2.329 562 D HA 0.183 4.822 4.640 -0.001 0.000 0.232 562 D C -0.120 176.328 176.300 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 41.849 40.800 0.227 0.000 1.078 562 D HN 0.447 nan 8.370 nan 0.000 0.495 563 E N 3.336 123.672 120.200 0.226 0.000 2.360 563 E HA 0.058 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 -0.055 56.454 56.400 0.182 0.000 1.252 563 E CB 0.237 30.044 29.700 0.178 0.000 1.408 563 E HN 0.656 nan 8.360 nan 0.000 0.464 564 E N -0.251 119.994 120.200 0.075 0.000 2.569 564 E HA 0.127 4.477 4.350 -0.001 0.000 0.205 564 E C 0.194 176.780 176.600 -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 0.738 120.935 120.200 -0.004 0.000 2.431 565 E HA 0.136 4.485 4.350 -0.001 0.000 0.200 565 E C 1.480 178.070 176.600 -0.016 0.000 0.995 565 E CA 0.237 56.620 56.400 -0.029 0.000 0.915 565 E CB 0.311 29.975 29.700 -0.060 0.000 0.930 565 E HN 0.555 nan 8.360 nan 0.000 0.496 566 I N -1.978 118.595 120.570 0.006 0.000 3.858 566 I HA 0.290 4.460 4.170 -0.001 0.000 0.325 566 I C 1.028 177.168 176.117 0.039 0.000 1.403 566 I CA -0.184 61.138 61.300 0.036 0.000 1.169 566 I CB 0.183 38.213 38.000 0.050 0.000 1.077 566 I HN -0.134 nan 8.210 nan 0.000 0.403 567 R N 1.411 121.918 120.500 0.012 0.000 2.152 567 R HA -0.088 4.252 4.340 -0.001 0.000 0.232 567 R C 2.184 178.489 176.300 0.009 0.000 1.117 567 R CA 1.987 58.084 56.100 -0.004 0.000 0.981 567 R CB -0.368 29.912 30.300 -0.033 0.000 0.870 567 R HN 0.649 nan 8.270 nan 0.000 0.451 568 T N -3.216 111.352 114.554 0.024 0.000 3.067 568 T HA -0.009 4.340 4.350 -0.001 0.000 0.257 568 T C 1.709 176.399 174.700 -0.016 0.000 1.105 568 T CA 1.135 63.239 62.100 0.006 0.000 1.104 568 T CB 0.218 69.096 68.868 0.017 0.000 0.925 568 T HN 0.303 nan 8.240 nan 0.000 0.498 569 T N -1.900 112.662 114.554 0.013 0.000 2.955 569 T HA 0.317 4.667 4.350 -0.001 0.000 0.251 569 T C 0.359 175.112 174.700 0.089 0.000 1.002 569 T CA -0.538 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 2.196 120.947 118.700 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 -0.674 176.664 177.300 0.063 0.000 1.223 571 P CA -0.377 62.769 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 1.970 121.906 119.914 0.037 0.000 2.572 572 V HA 0.114 4.234 4.120 -0.001 0.000 0.291 572 V C 1.719 177.838 176.094 0.042 0.000 1.039 572 V CA 0.533 62.852 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 2.255 179.845 177.584 0.009 0.000 1.181 573 A CA 2.400 54.464 52.037 0.045 0.000 0.627 573 A CB -0.695 18.341 19.000 0.060 0.000 0.818 573 A HN 1.016 nan 8.150 nan 0.000 0.445 574 T N -2.693 111.860 114.554 -0.002 0.000 3.009 574 T HA 0.072 4.422 4.350 -0.001 0.000 0.258 574 T C 0.815 175.485 174.700 -0.051 0.000 1.063 574 T CA 0.395 62.470 62.100 -0.041 0.000 1.139 574 T CB -0.206 68.630 68.868 -0.053 0.000 0.890 574 T HN 0.392 nan 8.240 nan 0.000 0.471 575 E N 2.374 122.554 120.200 -0.032 0.000 2.397 575 E HA 0.174 4.523 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 -0.349 119.441 119.800 -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 28.854 28.738 -0.000 0.000 1.240 576 Q HN 0.610 nan 8.270 nan 0.000 0.651 577 Y N -1.536 118.741 120.300 -0.038 0.000 2.539 577 Y HA 0.429 4.979 4.550 -0.001 0.000 0.284 577 Y C 0.537 176.425 175.900 -0.020 0.000 1.134 577 Y CA 1.083 59.167 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 -0.985 107.825 108.800 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 0.014 0.000 1.236 578 G CA -0.380 44.686 45.100 -0.058 0.000 0.914 578 G HN -0.065 nan 8.290 nan 0.000 0.482 579 T N 0.089 114.645 114.554 0.004 0.000 2.829 579 T HA 0.678 5.027 4.350 -0.001 0.000 0.280 579 T C -0.662 174.055 174.700 0.028 0.000 0.999 579 T CA -0.320 61.788 62.100 0.012 0.000 0.983 579 T CB 1.716 70.581 68.868 -0.005 0.000 0.968 579 T HN 0.831 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 0.110 176.214 176.094 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 3.054 125.884 122.820 0.017 0.000 2.322 581 A HA 0.705 5.024 4.320 -0.001 0.000 0.269 581 A C 0.411 178.001 177.584 0.010 0.000 1.094 581 A CA -0.304 51.740 52.037 0.012 0.000 0.807 581 A CB 0.173 19.181 19.000 0.014 0.000 1.047 581 A HN 1.094 nan 8.150 nan 0.000 0.487 582 N N 1.196 119.900 118.700 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 52.648 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 -1.740 173.774 175.510 0.005 0.000 1.399 583 N CA -0.580 52.472 53.050 0.004 0.000 0.894 583 N CB 0.603 39.091 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 2.352 584 L HA 0.247 4.586 4.340 -0.001 0.000 0.272 584 L C 0.403 177.276 176.870 0.005 0.000 1.109 584 L CA -0.846 53.998 54.840 0.006 0.000 0.952 584 L CB 0.228 42.291 42.059 0.006 0.000 1.314 584 L HN 0.622 nan 8.230 nan 0.000 0.427 585 Q N 2.567 122.370 119.800 0.005 0.000 2.386 585 Q HA 0.418 4.757 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 -0.044 55.761 55.803 0.003 0.000 0.918 585 Q CB 1.178 29.917 28.738 0.003 0.000 1.266 585 Q HN 0.586 nan 8.270 nan 0.000 0.423 586 S N 0.131 115.832 115.700 0.000 0.000 2.694 586 S HA 0.339 4.809 4.470 -0.001 0.000 0.273 586 S C 0.408 175.007 174.600 -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 63.269 63.200 0.001 0.000 1.198 586 S HN 0.958 nan 8.310 nan 0.000 0.499 587 S N 1.174 116.872 115.700 -0.003 0.000 2.419 587 S HA -0.105 4.364 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 1.293 59.491 58.200 -0.004 0.000 0.974 587 S CB -0.870 62.328 63.200 -0.004 0.000 0.786 587 S HN 0.639 nan 8.310 nan 0.000 0.492 588 N N 1.218 119.916 118.700 -0.002 0.000 2.395 588 N HA 0.092 4.831 4.740 -0.001 0.000 0.175 588 N C -0.116 175.393 175.510 -0.003 0.000 1.029 588 N CA 0.756 53.805 53.050 -0.002 0.000 0.897 588 N CB 0.042 38.528 38.487 -0.002 0.000 0.991 588 N HN 0.386 nan 8.380 nan 0.000 0.441 589 T N 0.392 114.945 114.554 -0.002 0.000 2.841 589 T HA 0.619 4.969 4.350 -0.001 0.000 0.283 589 T C -0.465 174.233 174.700 -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 4.736 127.554 122.820 -0.003 0.000 2.331 590 A HA 0.673 4.993 4.320 -0.001 0.000 0.283 590 A C -2.241 175.341 177.584 -0.003 0.000 1.142 590 A CA -1.664 50.370 52.037 -0.004 0.000 0.812 590 A CB -0.182 18.815 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 0.497 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 2.249 116.803 114.554 -0.001 0.000 2.855 592 T HA 0.419 4.769 4.350 -0.001 0.000 0.281 592 T C 0.030 174.730 174.700 -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 3.113 117.665 114.554 -0.003 0.000 2.856 593 T HA 0.557 4.907 4.350 -0.001 0.000 0.283 593 T C -0.478 174.220 174.700 -0.004 0.000 1.008 593 T CA -0.767 61.332 62.100 -0.002 0.000 0.997 593 T CB 1.088 69.954 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 4.703 4.340 -0.001 0.000 0.306 594 R C -0.929 175.373 176.300 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 3.675 118.226 114.554 -0.005 0.000 2.738 595 T HA 0.054 4.404 4.350 -0.001 0.000 0.293 595 T C 0.044 174.747 174.700 0.006 0.000 0.913 595 T CA -0.055 62.044 62.100 -0.001 0.000 1.103 595 T CB 0.540 69.399 68.868 -0.016 0.000 0.880 595 T HN 0.351 nan 8.240 nan 0.000 0.526 596 V N 5.473 125.410 119.914 0.038 0.000 2.455 596 V HA 0.222 4.341 4.120 -0.001 0.000 0.273 596 V C 0.570 176.683 176.094 0.032 0.000 1.045 596 V CA -0.159 62.167 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 0.805 nan 8.190 nan 0.000 0.475 597 N N 4.344 123.023 118.700 -0.034 0.000 2.294 597 N HA 0.158 4.897 4.740 -0.001 0.000 0.186 597 N C -0.427 175.004 175.510 -0.133 0.000 1.107 597 N CA 0.186 53.190 53.050 -0.076 0.000 0.884 597 N CB 0.600 39.021 38.487 -0.109 0.000 1.030 597 N HN 0.809 nan 8.380 nan 0.000 0.482 598 D N 0.591 120.910 120.400 -0.135 0.000 2.855 598 D HA 0.194 4.834 4.640 -0.001 0.000 0.241 598 D C -1.508 174.677 176.300 -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 0.102 175.923 176.000 -0.298 0.000 1.023 599 Q CA -0.740 54.815 55.803 -0.413 0.000 0.758 599 Q CB 1.633 29.785 28.738 -0.976 0.000 1.247 599 Q HN 0.525 nan 8.270 nan 0.000 0.455 600 G N 2.073 110.742 108.800 -0.220 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 -0.477 174.276 174.900 -0.244 0.000 1.421 600 G CA -0.091 44.875 45.100 -0.222 0.000 1.059 600 G HN 0.828 nan 8.290 nan 0.000 0.535 601 A N -1.508 121.157 122.820 -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 51.706 52.037 -0.189 0.000 0.812 601 A CB 0.496 19.331 19.000 -0.275 0.000 1.056 601 A HN 0.575 nan 8.150 nan 0.000 0.489 602 L N 0.892 122.156 121.223 0.067 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 -1.847 53.056 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 0.165 nan 4.420 nan 0.000 0.259 603 P C 0.672 178.079 177.300 0.178 0.000 1.211 603 P CA 0.683 63.881 63.100 0.163 0.000 0.810 603 P CB 0.457 32.224 31.700 0.113 0.000 0.815 604 G N 2.366 111.319 108.800 0.254 0.000 2.227 604 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.168 604 G HA3 -0.174 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 1.335 121.143 119.600 0.347 0.000 2.233 605 M HA 0.521 5.001 4.480 -0.001 0.000 0.350 605 M C 0.471 177.003 176.300 0.386 0.000 1.176 605 M CA -0.209 55.319 55.300 0.380 0.000 1.150 605 M CB 1.540 34.377 32.600 0.395 0.000 1.530 605 M HN 0.481 nan 8.290 nan 0.000 0.459 606 V N 0.860 120.958 119.914 0.308 0.000 2.686 606 V HA 0.834 4.954 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 -0.681 61.666 62.300 0.078 0.000 0.894 606 V CB 1.206 32.938 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 0.887 5.546 4.660 -0.001 0.000 0.339 607 W C -1.017 175.482 176.519 -0.034 0.000 1.198 607 W CA -1.064 56.262 57.345 -0.031 0.000 1.148 607 W CB 1.775 31.223 29.460 -0.020 0.000 1.451 607 W HN 0.684 nan 8.180 nan 0.000 0.564 608 Q N 1.969 121.874 119.800 0.175 0.000 2.274 608 Q HA 0.308 4.648 4.340 -0.001 0.000 0.260 608 Q C -0.401 175.718 176.000 0.198 0.000 0.974 608 Q CA -0.264 55.584 55.803 0.076 0.000 0.876 608 Q CB 1.323 30.089 28.738 0.046 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 0.484 176.874 176.300 0.149 0.000 1.269 609 D CA -0.194 53.933 54.000 0.211 0.000 1.028 609 D CB 0.604 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 -0.302 120.303 120.500 0.175 0.000 3.213 610 R HA 0.246 4.585 4.340 -0.001 0.000 0.188 610 R C -0.267 176.141 176.300 0.181 0.000 0.931 610 R CA 0.079 56.283 56.100 0.172 0.000 1.218 610 R CB 0.026 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 -0.843 119.654 120.400 0.161 0.000 2.581 611 D HA 0.318 4.957 4.640 -0.001 0.000 0.232 611 D C -1.633 174.554 176.300 -0.189 0.000 1.143 611 D CA -0.556 53.459 54.000 0.025 0.000 0.881 611 D CB 1.984 42.684 40.800 -0.166 0.000 1.500 611 D HN 0.243 nan 8.370 nan 0.000 0.458 612 V N 0.159 119.828 119.914 -0.408 0.000 2.483 612 V HA 0.694 4.813 4.120 -0.001 0.000 0.295 612 V C -1.079 174.840 176.094 -0.292 0.000 1.035 612 V CA -0.491 61.658 62.300 -0.252 0.000 0.896 612 V CB 0.758 32.396 31.823 -0.309 0.000 0.986 612 V HN 0.439 nan 8.190 nan 0.000 0.447 613 Y N 2.723 123.130 120.300 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 -0.284 0.000 1.053 613 Y CA -1.075 57.081 58.100 0.094 0.000 1.105 613 Y CB 1.517 40.064 38.460 0.144 0.000 1.258 613 Y HN 0.587 nan 8.280 nan 0.000 0.478 614 L N 1.412 122.285 121.223 -0.584 0.000 2.151 614 L HA -0.244 4.096 4.340 -0.001 0.000 0.215 614 L C 1.710 178.360 176.870 -0.366 0.000 1.084 614 L CA 2.052 56.193 54.840 -1.166 0.000 0.764 614 L CB -0.437 41.006 42.059 -1.026 0.000 0.891 614 L HN 0.826 nan 8.230 nan 0.000 0.435 615 Q N -1.388 118.300 119.800 -0.187 0.000 2.179 615 Q HA 0.304 4.644 4.340 -0.001 0.000 0.213 615 Q C 0.663 176.682 176.000 0.032 0.000 0.833 615 Q CA 0.375 56.167 55.803 -0.020 0.000 0.990 615 Q CB -0.303 28.282 28.738 -0.254 0.000 1.132 615 Q HN 0.363 nan 8.270 nan 0.000 0.493 616 G N 2.281 111.236 108.800 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 -2.716 172.376 174.900 0.320 0.000 1.211 616 G CA -1.251 44.141 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 0.433 177.699 177.300 -0.056 0.000 1.223 617 P CA -0.153 62.949 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 -1.057 119.340 120.570 -0.287 0.000 2.900 618 I HA 0.182 4.352 4.170 -0.001 0.000 0.251 618 I C 0.676 176.981 176.117 0.313 0.000 1.102 618 I CA 0.553 61.746 61.300 -0.178 0.000 1.457 618 I CB -0.296 37.645 38.000 -0.099 0.000 1.285 618 I HN 0.445 nan 8.210 nan 0.000 0.459 619 W N 1.054 122.473 121.300 0.198 0.000 3.207 619 W HA 0.827 5.487 4.660 -0.000 0.000 0.326 619 W C -1.201 175.430 176.519 0.187 0.000 1.190 619 W CA -1.219 56.279 57.345 0.254 0.000 1.011 619 W CB 0.821 30.472 29.460 0.317 0.000 1.511 619 W HN -0.068 nan 8.180 nan 0.000 0.606 620 A N 1.327 124.428 122.820 0.468 0.000 2.555 620 A HA 0.450 4.770 4.320 -0.001 0.000 0.297 620 A C -1.554 176.175 177.584 0.243 0.000 1.060 620 A CA -1.092 51.118 52.037 0.288 0.000 0.710 620 A CB 1.472 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 3.540 124.031 120.400 0.151 0.000 2.315 621 K HA 0.365 4.684 4.320 -0.001 0.000 0.291 621 K C -0.483 176.067 176.600 -0.084 0.000 1.074 621 K CA -0.273 55.943 56.287 -0.118 0.000 0.936 621 K CB -0.239 31.973 32.500 -0.480 0.000 1.049 621 K HN 0.615 nan 8.250 nan 0.000 0.471 622 I N 7.578 128.073 120.570 -0.125 0.000 2.742 622 I HA -0.043 4.127 4.170 -0.001 0.000 0.287 622 I C -1.780 174.249 176.117 -0.147 0.000 1.186 622 I CA -1.574 59.630 61.300 -0.160 0.000 1.417 622 I CB 0.095 37.921 38.000 -0.290 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 -0.540 176.822 177.300 0.103 0.000 1.187 623 P CA 0.165 63.293 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 1.781 120.870 119.070 0.032 0.000 2.982 624 H HA 0.270 4.826 4.556 -0.001 0.000 0.261 624 H C 0.251 175.634 175.328 0.092 0.000 1.603 624 H CA 0.011 56.095 56.048 0.060 0.000 1.398 624 H CB -0.544 29.219 29.762 0.001 0.000 1.693 624 H HN 0.322 nan 8.280 nan 0.000 0.535 625 T N -0.674 113.891 114.554 0.018 0.000 2.870 625 T HA 0.148 4.497 4.350 -0.001 0.000 0.277 625 T C 1.004 175.560 174.700 -0.240 0.000 1.000 625 T CA -0.899 61.161 62.100 -0.066 0.000 0.982 625 T CB 1.172 70.017 68.868 -0.037 0.000 1.249 625 T HN 0.232 nan 8.240 nan 0.000 0.589 626 D N 0.417 120.704 120.400 -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 1.097 54.980 54.000 -0.195 0.000 0.852 626 D CB -0.166 40.572 40.800 -0.103 0.000 0.947 626 D HN 0.826 nan 8.370 nan 0.000 0.494 627 G N -0.640 107.894 108.800 -0.443 0.000 2.746 627 G HA2 0.496 4.455 3.960 -0.001 0.000 0.297 627 G HA3 0.496 4.455 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 1.326 120.408 119.070 0.021 0.000 2.928 628 H HA 0.512 5.068 4.556 -0.001 0.000 0.371 628 H C -0.427 174.981 175.328 0.133 0.000 1.186 628 H CA -0.685 55.397 56.048 0.057 0.000 1.134 628 H CB 2.526 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 0.850 120.892 119.950 0.154 0.000 2.324 629 F HA 0.092 4.618 4.527 -0.001 0.000 0.260 629 F C 0.833 176.769 175.800 0.227 0.000 1.073 629 F CA 0.693 58.783 58.000 0.150 0.000 1.073 629 F CB 0.344 39.407 39.000 0.106 0.000 1.114 629 F HN 0.514 nan 8.300 nan 0.000 0.588 630 H N 1.955 121.037 119.070 0.021 0.000 2.439 630 H HA 0.345 4.901 4.556 -0.001 0.000 0.239 630 H C -2.385 173.026 175.328 0.138 0.000 1.432 630 H CA -2.149 53.891 56.048 -0.014 0.000 1.373 630 H CB 0.235 30.108 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 -0.381 176.915 177.300 -0.007 0.000 1.670 631 P CA 0.324 63.416 63.100 -0.013 0.000 1.017 631 P CB -0.336 31.287 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 0.503 4.973 4.470 -0.001 0.000 0.305 632 S C -2.501 172.191 174.600 0.152 0.000 1.109 632 S CA -2.108 56.179 58.200 0.146 0.000 1.099 632 S CB 0.273 63.634 63.200 0.267 0.000 1.004 632 S HN -0.026 nan 8.310 nan 0.000 0.475 633 P HA 0.033 nan 4.420 nan 0.000 0.258 633 P C 0.719 178.091 177.300 0.120 0.000 1.172 633 P CA 0.205 63.372 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 2.440 123.727 121.223 0.107 0.000 2.127 634 L HA -0.166 4.174 4.340 -0.001 0.000 0.211 634 L C 2.065 179.002 176.870 0.112 0.000 1.089 634 L CA 1.566 56.470 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 -0.860 118.802 119.600 0.103 0.000 2.619 635 M HA 0.140 4.620 4.480 -0.001 0.000 0.251 635 M C 0.726 177.113 176.300 0.144 0.000 1.106 635 M CA 0.503 55.869 55.300 0.109 0.000 1.086 635 M CB -0.019 32.629 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 -0.628 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 -0.545 108.229 108.800 -0.043 0.000 2.297 637 G HA2 0.452 4.411 3.960 -0.001 0.000 0.209 637 G HA3 0.452 4.411 3.960 -0.001 0.000 0.209 637 G C -0.650 174.078 174.900 -0.287 0.000 1.267 637 G CA -0.081 44.905 45.100 -0.191 0.000 1.127 637 G HN 1.624 nan 8.290 nan 0.000 0.498 638 F N 1.964 122.055 119.950 0.234 0.000 2.388 638 F HA 0.568 5.095 4.527 -0.001 0.000 0.358 638 F C 1.131 177.043 175.800 0.188 0.000 1.122 638 F CA 0.070 58.181 58.000 0.185 0.000 1.056 638 F CB 2.016 41.116 39.000 0.166 0.000 1.155 638 F HN 0.712 nan 8.300 nan 0.000 0.461 639 G N 5.177 114.132 108.800 0.259 0.000 2.360 639 G HA2 0.515 4.475 3.960 -0.001 0.000 0.279 639 G HA3 0.515 4.475 3.960 -0.001 0.000 0.279 639 G C -0.822 174.149 174.900 0.117 0.000 1.189 639 G CA -0.416 44.775 45.100 0.151 0.000 0.941 639 G HN 0.580 nan 8.290 nan 0.000 0.445 640 L N 3.116 124.400 121.223 0.101 0.000 2.356 640 L HA 0.360 4.699 4.340 -0.001 0.000 0.277 640 L C 1.156 177.946 176.870 -0.133 0.000 0.996 640 L CA -1.114 53.749 54.840 0.038 0.000 0.822 640 L CB 2.218 44.352 42.059 0.125 0.000 1.256 640 L HN 0.424 nan 8.230 nan 0.000 0.413 641 K N 1.035 121.311 120.400 -0.208 0.000 2.026 641 K HA -0.034 4.285 4.320 -0.001 0.000 0.208 641 K C 0.323 176.468 176.600 -0.759 0.000 1.048 641 K CA 1.351 57.357 56.287 -0.468 0.000 0.929 641 K CB 0.044 32.268 32.500 -0.461 0.000 0.713 641 K HN 0.540 nan 8.250 nan 0.000 0.439 642 H N 0.581 119.526 119.070 -0.208 0.000 2.645 642 H HA 0.312 4.867 4.556 -0.001 0.000 0.257 642 H C -2.413 172.916 175.328 0.002 0.000 1.269 642 H CA -2.229 53.668 56.048 -0.253 0.000 1.409 642 H CB 1.150 30.910 29.762 -0.003 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 -0.344 0.000 1.264 643 P CA -2.155 60.842 63.100 -0.171 0.000 0.824 643 P CB 0.267 31.893 31.700 -0.124 0.000 1.092 644 P HA -0.031 nan 4.420 nan 0.000 0.251 644 P C -2.007 175.096 177.300 -0.328 0.000 1.154 644 P CA -0.083 62.317 63.100 -1.167 0.000 0.805 644 P CB -1.278 29.735 31.700 -1.145 0.000 0.759 645 P HA -0.072 nan 4.420 nan 0.000 0.270 645 P C -0.306 176.863 177.300 -0.218 0.000 1.221 645 P CA 0.289 63.283 63.100 -0.176 0.000 0.788 645 P CB 0.656 32.128 31.700 -0.379 0.000 0.904 646 Q N 0.500 120.143 119.800 -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 -0.567 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 3.112 123.382 120.570 -0.500 0.000 2.307 647 I HA 0.199 4.369 4.170 -0.001 0.000 0.289 647 I C -0.420 175.452 176.117 -0.409 0.000 1.021 647 I CA -0.148 60.811 61.300 -0.568 0.000 1.224 647 I CB 0.805 38.404 38.000 -0.669 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 0.610 5.089 4.480 -0.001 0.000 0.322 648 M C -0.740 175.526 176.300 -0.058 0.000 1.166 648 M CA -0.356 54.661 55.300 -0.471 0.000 1.067 648 M CB 1.441 33.413 32.600 -1.047 0.000 1.523 648 M HN 0.494 nan 8.290 nan 0.000 0.467 649 I N 2.256 122.960 120.570 0.223 0.000 2.775 649 I HA 0.683 4.853 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 61.149 61.300 0.138 0.000 1.029 649 I CB 1.693 39.656 38.000 -0.063 0.000 1.282 649 I HN 0.683 nan 8.210 nan 0.000 0.426 650 K N 3.460 123.738 120.400 -0.203 0.000 2.598 650 K HA 0.548 4.868 4.320 -0.001 0.000 0.271 650 K C -2.010 174.413 176.600 -0.295 0.000 0.947 650 K CA -0.698 55.337 56.287 -0.420 0.000 0.854 650 K CB 0.610 32.426 32.500 -1.139 0.000 1.401 650 K HN 0.326 nan 8.250 nan 0.000 0.415 651 N N 1.191 119.783 118.700 -0.179 0.000 2.442 651 N HA 0.177 4.916 4.740 -0.001 0.000 0.265 651 N C -0.869 174.564 175.510 -0.128 0.000 1.138 651 N CA -0.316 52.681 53.050 -0.090 0.000 0.956 651 N CB 1.084 39.566 38.487 -0.009 0.000 1.067 651 N HN 0.655 nan 8.380 nan 0.000 0.474 652 T N 4.071 118.551 114.554 -0.122 0.000 2.829 652 T HA 0.100 4.449 4.350 -0.001 0.000 0.293 652 T C -2.187 172.391 174.700 -0.203 0.000 0.970 652 T CA -0.594 61.415 62.100 -0.151 0.000 1.168 652 T CB 0.073 68.887 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 -0.820 176.260 177.300 -0.367 0.000 1.195 653 P CA -0.143 62.495 63.100 -0.771 0.000 0.762 653 P CB 0.379 31.420 31.700 -1.100 0.000 0.799 654 V N 7.243 127.041 119.914 -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 0.216 0.000 1.016 654 V CA -2.158 60.149 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 0.139 nan 4.420 nan 0.000 0.263 655 P C 0.238 177.629 177.300 0.152 0.000 1.195 655 P CA 0.458 63.627 63.100 0.114 0.000 0.762 655 P CB 0.687 32.201 31.700 -0.309 0.000 0.799 656 A N 4.369 127.320 122.820 0.218 0.000 2.404 656 A HA 0.035 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 0.802 119.565 118.700 0.105 0.000 2.470 657 N HA 0.299 5.039 4.740 -0.001 0.000 0.268 657 N C -2.605 172.974 175.510 0.115 0.000 1.136 657 N CA -0.882 52.223 53.050 0.091 0.000 0.961 657 N CB 0.309 38.825 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 0.291 32.123 31.700 0.221 0.000 1.068 659 P HA 0.230 nan 4.420 nan 0.000 0.277 659 P C 0.530 177.861 177.300 0.052 0.000 1.240 659 P CA -0.204 62.910 63.100 0.023 0.000 0.798 659 P CB 0.335 32.026 31.700 -0.015 0.000 0.979 660 T N -1.229 113.350 114.554 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 0.068 0.000 1.109 660 T CA 1.243 63.374 62.100 0.052 0.000 1.119 660 T CB -0.204 68.686 68.868 0.037 0.000 0.900 660 T HN 0.477 nan 8.240 nan 0.000 0.503 661 T N 1.032 115.624 114.554 0.063 0.000 2.867 661 T HA 0.485 4.835 4.350 -0.001 0.000 0.282 661 T C -0.738 174.036 174.700 0.122 0.000 1.000 661 T CA -0.972 61.180 62.100 0.087 0.000 1.042 661 T CB 0.255 69.153 68.868 0.051 0.000 0.973 661 T HN 0.132 nan 8.240 nan 0.000 0.465 662 F N 4.256 124.219 119.950 0.021 0.000 2.484 662 F HA 0.494 5.020 4.527 -0.001 0.000 0.360 662 F C 0.332 176.145 175.800 0.023 0.000 1.101 662 F CA -0.044 57.973 58.000 0.029 0.000 1.251 662 F CB 0.641 39.659 39.000 0.029 0.000 1.132 662 F HN 0.448 nan 8.300 nan 0.000 0.570 663 S N 6.925 122.119 115.700 -0.844 0.000 2.605 663 S HA 0.510 4.979 4.470 -0.001 0.000 0.308 663 S C -1.904 172.142 174.600 -0.923 0.000 1.113 663 S CA -1.282 56.499 58.200 -0.699 0.000 1.049 663 S CB 1.409 64.407 63.200 -0.337 0.000 1.001 663 S HN 0.531 nan 8.310 nan 0.000 0.480 664 P HA 0.224 nan 4.420 nan 0.000 0.236 664 P C 0.167 177.374 177.300 -0.154 0.000 1.177 664 P CA 0.149 63.050 63.100 -0.332 0.000 0.773 664 P CB -0.041 31.591 31.700 -0.113 0.000 0.878 665 A N 0.908 123.626 122.820 -0.170 0.000 2.531 665 A HA 0.028 4.348 4.320 -0.001 0.000 0.236 665 A C 0.578 178.131 177.584 -0.053 0.000 1.062 665 A CA -0.212 51.765 52.037 -0.100 0.000 0.760 665 A CB -0.304 18.620 19.000 -0.127 0.000 0.995 665 A HN 0.065 nan 8.150 nan 0.000 0.501 666 K N 1.663 122.064 120.400 0.003 0.000 2.511 666 K HA 0.016 4.336 4.320 -0.001 0.000 0.280 666 K C -0.825 175.809 176.600 0.057 0.000 1.008 666 K CA 0.235 56.567 56.287 0.074 0.000 1.050 666 K CB 0.056 32.612 32.500 0.093 0.000 0.889 666 K HN 0.497 nan 8.250 nan 0.000 0.484 667 F N 2.992 122.944 119.950 0.003 0.000 2.456 667 F HA 0.243 4.770 4.527 -0.001 0.000 0.358 667 F C 0.707 176.422 175.800 -0.142 0.000 1.095 667 F CA 0.765 58.706 58.000 -0.099 0.000 1.216 667 F CB 1.211 40.164 39.000 -0.077 0.000 1.125 667 F HN 0.681 nan 8.300 nan 0.000 0.549 668 A N 3.072 125.687 122.820 -0.342 0.000 2.704 668 A HA 0.181 4.500 4.320 -0.001 0.000 0.260 668 A C 0.129 177.475 177.584 -0.397 0.000 1.144 668 A CA 0.025 51.942 52.037 -0.199 0.000 0.985 668 A CB -0.123 18.862 19.000 -0.024 0.000 1.256 668 A HN 0.480 nan 8.150 nan 0.000 0.598 669 S N 0.714 116.010 115.700 -0.674 0.000 2.466 669 S HA 0.713 5.182 4.470 -0.001 0.000 0.313 669 S C -0.951 173.454 174.600 -0.325 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 0.439 176.326 175.800 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 0.208 0.000 1.227 670 F HN 0.283 nan 8.300 nan 0.000 0.478 671 I N 1.502 122.265 120.570 0.322 0.000 2.471 671 I HA 0.113 4.282 4.170 -0.001 0.000 0.286 671 I C 0.349 176.590 176.117 0.206 0.000 1.079 671 I CA -0.361 61.059 61.300 0.200 0.000 1.398 671 I CB 0.913 38.993 38.000 0.135 0.000 1.403 671 I HN 0.604 nan 8.210 nan 0.000 0.530 672 T N 4.490 119.138 114.554 0.157 0.000 2.814 672 T HA 0.395 4.745 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 -0.639 61.540 62.100 0.132 0.000 1.123 672 T CB 0.768 69.693 68.868 0.094 0.000 0.902 672 T HN 0.732 nan 8.240 nan 0.000 0.528 673 Q N 2.303 122.175 119.800 0.119 0.000 2.472 673 Q HA 0.562 4.902 4.340 -0.001 0.000 0.281 673 Q C -1.775 174.304 176.000 0.132 0.000 0.997 673 Q CA -1.355 54.506 55.803 0.097 0.000 0.828 673 Q CB 1.490 30.246 28.738 0.030 0.000 1.443 673 Q HN 0.864 nan 8.270 nan 0.000 0.390 674 Y N -1.140 119.151 120.300 -0.015 0.000 2.545 674 Y HA 0.836 5.386 4.550 -0.001 0.000 0.348 674 Y C -0.847 175.058 175.900 0.008 0.000 1.002 674 Y CA -0.824 57.262 58.100 -0.022 0.000 1.039 674 Y CB 2.037 40.467 38.460 -0.050 0.000 1.271 674 Y HN 0.819 nan 8.280 nan 0.000 0.467 675 S N 1.074 116.833 115.700 0.099 0.000 2.621 675 S HA 0.849 5.318 4.470 -0.001 0.000 0.302 675 S C -0.649 174.036 174.600 0.142 0.000 1.093 675 S CA -0.461 57.789 58.200 0.083 0.000 1.017 675 S CB 1.940 65.280 63.200 0.233 0.000 1.077 675 S HN 1.073 nan 8.310 nan 0.000 0.517 676 T N -0.453 114.006 114.554 -0.159 0.000 2.853 676 T HA 0.760 5.110 4.350 -0.001 0.000 0.311 676 T C -0.346 173.658 174.700 -1.159 0.000 1.307 676 T CA 0.270 61.950 62.100 -0.699 0.000 1.019 676 T CB 1.059 69.721 68.868 -0.344 0.000 1.264 676 T HN 1.736 nan 8.240 nan 0.000 0.497 677 G N 1.797 109.451 108.800 -1.911 0.000 2.325 677 G HA2 0.493 4.453 3.960 -0.001 0.000 0.295 677 G HA3 0.493 4.453 3.960 -0.001 0.000 0.295 677 G C -2.092 172.012 174.900 -1.328 0.000 1.274 677 G CA -0.665 43.695 45.100 -1.233 0.000 0.857 677 G HN 0.768 nan 8.290 nan 0.000 0.499 678 Q N -1.353 118.044 119.800 -0.672 0.000 2.248 678 Q HA 0.758 5.098 4.340 -0.001 0.000 0.263 678 Q C -0.572 175.209 176.000 -0.365 0.000 1.007 678 Q CA -0.730 54.719 55.803 -0.590 0.000 0.877 678 Q CB 2.541 30.790 28.738 -0.815 0.000 1.315 678 Q HN 0.974 nan 8.270 nan 0.000 0.454 679 V N 0.202 120.027 119.914 -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 -0.169 0.000 1.090 679 V CA -0.317 61.875 62.300 -0.180 0.000 0.930 679 V CB 2.344 34.116 31.823 -0.084 0.000 1.014 679 V HN 0.692 nan 8.190 nan 0.000 0.425 680 S N 4.307 119.894 115.700 -0.188 0.000 2.557 680 S HA 0.818 5.287 4.470 -0.001 0.000 0.291 680 S C -1.477 172.954 174.600 -0.281 0.000 1.116 680 S CA -0.453 57.665 58.200 -0.136 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 4.952 124.732 119.914 -0.225 0.000 2.443 681 V HA 0.498 4.618 4.120 -0.001 0.000 0.293 681 V C -0.235 175.782 176.094 -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 -0.469 0.000 0.998 681 V HN 0.902 nan 8.190 nan 0.000 0.424 682 E N 5.476 125.612 120.200 -0.107 0.000 2.151 682 E HA 0.651 5.001 4.350 -0.001 0.000 0.275 682 E C -1.424 175.127 176.600 -0.083 0.000 0.936 682 E CA -0.520 55.829 56.400 -0.086 0.000 0.777 682 E CB 1.424 31.058 29.700 -0.109 0.000 1.108 682 E HN 0.647 nan 8.360 nan 0.000 0.401 683 I N 3.533 124.058 120.570 -0.075 0.000 2.498 683 I HA 0.270 4.439 4.170 -0.001 0.000 0.290 683 I C -0.217 175.768 176.117 -0.219 0.000 1.032 683 I CA -0.801 60.398 61.300 -0.168 0.000 1.073 683 I CB 2.061 39.910 38.000 -0.252 0.000 1.251 683 I HN 0.554 nan 8.210 nan 0.000 0.426 684 E N 5.221 125.239 120.200 -0.302 0.000 2.231 684 E HA 0.373 4.723 4.350 -0.001 0.000 0.277 684 E C -1.935 174.425 176.600 -0.400 0.000 0.999 684 E CA -0.584 55.692 56.400 -0.207 0.000 0.827 684 E CB 1.304 30.932 29.700 -0.120 0.000 1.101 684 E HN 0.405 nan 8.360 nan 0.000 0.393 685 W N 2.730 124.019 121.300 -0.017 0.000 2.683 685 W HA 0.287 4.947 4.660 -0.001 0.000 0.329 685 W C -0.204 176.361 176.519 0.076 0.000 1.037 685 W CA -0.701 56.675 57.345 0.051 0.000 1.232 685 W CB 1.250 30.803 29.460 0.156 0.000 1.390 685 W HN 0.459 nan 8.180 nan 0.000 0.465 686 E N 3.253 123.602 120.200 0.248 0.000 2.331 686 E HA 0.473 4.823 4.350 -0.001 0.000 0.272 686 E C -0.901 175.978 176.600 0.464 0.000 1.036 686 E CA -0.285 56.270 56.400 0.258 0.000 0.864 686 E CB 0.824 30.599 29.700 0.126 0.000 1.035 686 E HN 0.461 nan 8.360 nan 0.000 0.408 687 L N 3.299 124.800 121.223 0.463 0.000 2.342 687 L HA 0.362 4.701 4.340 -0.001 0.000 0.271 687 L C -0.297 176.812 176.870 0.398 0.000 1.008 687 L CA -0.765 54.376 54.840 0.501 0.000 0.818 687 L CB 1.921 44.199 42.059 0.365 0.000 1.296 687 L HN 0.546 nan 8.230 nan 0.000 0.427 688 Q N 3.100 123.064 119.800 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 1.163 29.619 28.738 -0.470 0.000 1.226 688 Q HN 0.342 nan 8.270 nan 0.000 0.476 689 K N 1.836 122.199 120.400 -0.062 0.000 2.230 689 K HA 0.050 4.370 4.320 -0.001 0.000 0.253 689 K C -0.099 176.243 176.600 -0.430 0.000 1.008 689 K CA -0.005 56.187 56.287 -0.159 0.000 0.910 689 K CB 0.659 33.075 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 -0.613 0.000 2.200 690 E HA 0.035 4.384 4.350 -0.001 0.000 0.283 690 E C -1.019 175.003 176.600 -0.963 0.000 1.015 690 E CA -0.206 55.413 56.400 -1.301 0.000 0.819 690 E CB 0.556 29.625 29.700 -1.051 0.000 1.081 690 E HN 0.356 nan 8.360 nan 0.000 0.397 691 N N 2.948 121.014 118.700 -1.057 0.000 2.762 691 N HA 0.116 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 52.577 53.050 -0.419 0.000 0.799 691 N CB 0.970 39.320 38.487 -0.228 0.000 1.173 691 N HN 0.232 nan 8.380 nan 0.000 0.516 692 S N 1.106 116.715 115.700 -0.151 0.000 2.513 692 S HA 0.444 4.913 4.470 -0.001 0.000 0.299 692 S C 0.061 174.683 174.600 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 0.199 0.000 1.044 692 S HN 0.261 nan 8.310 nan 0.000 0.485 693 K N 2.370 122.817 120.400 0.079 0.000 2.493 693 K HA 0.156 4.475 4.320 -0.001 0.000 0.207 693 K C 0.268 176.943 176.600 0.125 0.000 1.033 693 K CA -0.264 56.074 56.287 0.084 0.000 1.161 693 K CB -0.133 32.417 32.500 0.085 0.000 0.873 693 K HN 0.554 nan 8.250 nan 0.000 0.491 694 R N 0.962 121.534 120.500 0.119 0.000 2.502 694 R HA -0.108 4.232 4.340 -0.001 0.000 0.292 694 R C 1.082 177.473 176.300 0.152 0.000 0.998 694 R CA 0.235 56.419 56.100 0.140 0.000 1.056 694 R CB 0.068 30.441 30.300 0.121 0.000 0.939 694 R HN 0.297 nan 8.270 nan 0.000 0.411 695 W N 5.832 127.146 121.300 0.024 0.000 2.452 695 W HA -0.091 4.569 4.660 -0.001 0.000 0.313 695 W C -0.103 176.426 176.519 0.015 0.000 1.176 695 W CA 1.122 58.476 57.345 0.015 0.000 1.350 695 W CB -0.229 29.238 29.460 0.013 0.000 1.148 695 W HN 0.754 nan 8.180 nan 0.000 0.498 696 N N 2.067 120.890 118.700 0.204 0.000 2.444 696 N HA 0.089 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 -1.048 52.053 53.050 0.086 0.000 0.933 696 N CB -0.610 37.976 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 63.360 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 1.348 121.573 120.200 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 -1.201 119.439 120.570 0.116 0.000 2.519 699 I HA 0.197 4.367 4.170 -0.001 0.000 0.287 699 I C -0.351 175.926 176.117 0.267 0.000 1.047 699 I CA -0.483 60.907 61.300 0.151 0.000 1.381 699 I CB 0.650 38.720 38.000 0.117 0.000 1.417 699 I HN 0.169 nan 8.210 nan 0.000 0.540 700 Q N 4.686 124.636 119.800 0.251 0.000 2.394 700 Q HA 0.304 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 -0.795 55.138 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 0.997 121.187 120.300 -0.182 0.000 2.346 701 Y HA 0.295 4.845 4.550 -0.001 0.000 0.330 701 Y C -0.116 175.763 175.900 -0.035 0.000 1.178 701 Y CA 0.862 58.869 58.100 -0.155 0.000 1.331 701 Y CB 0.991 39.125 38.460 -0.543 0.000 1.253 701 Y HN 0.616 nan 8.280 nan 0.000 0.529 702 T N 3.631 117.781 114.554 -0.674 0.000 2.840 702 T HA 0.432 4.782 4.350 -0.001 0.000 0.317 702 T C -1.239 173.224 174.700 -0.394 0.000 1.401 702 T CA -0.753 61.151 62.100 -0.328 0.000 1.028 702 T CB 0.866 69.661 68.868 -0.122 0.000 1.317 702 T HN 0.614 nan 8.240 nan 0.000 0.495 703 S N 2.052 117.699 115.700 -0.090 0.000 2.586 703 S HA 0.377 4.846 4.470 -0.001 0.000 0.274 703 S C 0.105 174.731 174.600 0.043 0.000 1.281 703 S CA -0.629 57.576 58.200 0.009 0.000 1.035 703 S CB 0.182 63.446 63.200 0.106 0.000 0.962 703 S HN 0.713 nan 8.310 nan 0.000 0.512 704 N N 1.931 120.660 118.700 0.048 0.000 2.427 704 N HA 0.055 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 -0.127 52.964 53.050 0.068 0.000 0.934 704 N CB 0.170 38.659 38.487 0.002 0.000 1.121 704 N HN 0.755 nan 8.380 nan 0.000 0.480 705 Y N 1.096 121.393 120.300 -0.004 0.000 2.639 705 Y HA 0.079 4.628 4.550 -0.001 0.000 0.297 705 Y C 0.061 175.964 175.900 0.004 0.000 1.151 705 Y CA -0.512 57.590 58.100 0.003 0.000 1.335 705 Y CB -0.160 38.300 38.460 0.000 0.000 0.994 705 Y HN 0.313 nan 8.280 nan 0.000 0.548 706 N N 2.532 120.870 118.700 -0.603 0.000 2.415 706 N HA -0.031 4.708 4.740 -0.001 0.000 0.248 706 N C -0.497 174.875 175.510 -0.230 0.000 1.271 706 N CA -0.202 52.524 53.050 -0.540 0.000 0.913 706 N CB 0.514 38.746 38.487 -0.425 0.000 1.129 706 N HN 0.317 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 4.322 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 0.363 56.595 56.287 -0.092 0.000 1.059 707 K CB 0.215 32.672 32.500 -0.071 0.000 0.901 707 K HN 0.453 nan 8.250 nan 0.000 0.475 708 S N 2.786 118.455 115.700 -0.052 0.000 2.599 708 S HA 0.329 4.798 4.470 -0.001 0.000 0.294 708 S C 0.842 175.423 174.600 -0.032 0.000 1.094 708 S CA -1.053 57.121 58.200 -0.043 0.000 0.931 708 S CB 1.582 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 3.231 123.125 119.914 -0.034 0.000 2.238 709 V HA -0.008 4.111 4.120 -0.001 0.000 0.235 709 V C 0.797 176.874 176.094 -0.029 0.000 1.037 709 V CA 1.484 63.764 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 0.837 nan 8.190 nan 0.000 0.457 710 N N -0.897 117.781 118.700 -0.036 0.000 2.472 710 N HA 0.477 5.216 4.740 -0.001 0.000 0.289 710 N C -1.030 174.464 175.510 -0.026 0.000 1.156 710 N CA -0.601 52.427 53.050 -0.036 0.000 0.940 710 N CB 1.970 40.422 38.487 -0.058 0.000 1.200 710 N HN 0.084 nan 8.380 nan 0.000 0.511 711 V N 1.378 121.287 119.914 -0.009 0.000 2.530 711 V HA 0.044 4.163 4.120 -0.001 0.000 0.282 711 V C -0.064 176.042 176.094 0.020 0.000 1.048 711 V CA -0.434 61.880 62.300 0.024 0.000 0.997 711 V CB 0.764 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 4.647 125.081 120.400 0.057 0.000 2.487 712 D HA 0.105 4.745 4.640 -0.001 0.000 0.243 712 D C 0.110 176.534 176.300 0.206 0.000 1.154 712 D CA 0.680 54.714 54.000 0.057 0.000 0.876 712 D CB 0.014 40.939 40.800 0.208 0.000 1.161 712 D HN 0.483 nan 8.370 nan 0.000 0.478 713 F N 0.022 119.922 119.950 -0.083 0.000 2.563 713 F HA -0.266 4.261 4.527 -0.001 0.000 0.351 713 F C 0.315 176.095 175.800 -0.033 0.000 1.086 713 F CA 0.352 58.266 58.000 -0.143 0.000 1.174 713 F CB -1.736 37.303 39.000 0.065 0.000 1.590 713 F HN 0.165 nan 8.300 nan 0.000 0.808 714 T N -0.762 113.721 114.554 -0.118 0.000 2.786 714 T HA 0.607 4.957 4.350 -0.001 0.000 0.316 714 T C -0.174 174.457 174.700 -0.116 0.000 1.503 714 T CA -0.464 61.650 62.100 0.023 0.000 1.019 714 T CB 1.928 70.824 68.868 0.046 0.000 1.415 714 T HN 0.495 nan 8.240 nan 0.000 0.496 715 V N 0.358 120.211 119.914 -0.102 0.000 3.185 715 V HA 0.637 4.756 4.120 -0.001 0.000 0.305 715 V C 0.234 176.273 176.094 -0.091 0.000 1.090 715 V CA -0.373 61.842 62.300 -0.141 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 1.082 121.432 120.400 -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 54.323 54.000 -0.061 0.000 1.098 716 D CB -0.253 40.507 40.800 -0.067 0.000 1.177 716 D HN 0.687 nan 8.370 nan 0.000 0.599 717 T N -2.971 111.563 114.554 -0.033 0.000 2.915 717 T HA -0.121 4.229 4.350 -0.001 0.000 0.269 717 T C 0.684 175.373 174.700 -0.018 0.000 1.071 717 T CA 1.274 63.360 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 0.255 118.942 118.700 -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 -0.166 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 -0.127 108.660 108.800 -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 -0.027 0.000 1.115 719 G CA -0.002 45.084 45.100 -0.023 0.000 1.122 719 G HN 0.343 nan 8.290 nan 0.000 0.522 720 V N 1.903 121.785 119.914 -0.053 0.000 2.488 720 V HA 0.411 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 33.318 31.823 -0.034 0.000 1.008 720 V HN 0.564 nan 8.190 nan 0.000 0.428 721 Y N 4.417 124.585 120.300 -0.220 0.000 2.511 721 Y HA 0.461 5.010 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 0.268 58.216 58.100 -0.255 0.000 1.422 721 Y CB 1.013 39.298 38.460 -0.291 0.000 1.271 721 Y HN 0.730 nan 8.280 nan 0.000 0.550 722 S N 4.370 119.632 115.700 -0.729 0.000 2.619 722 S HA 0.413 4.882 4.470 -0.001 0.000 0.280 722 S C -1.507 172.639 174.600 -0.756 0.000 1.150 722 S CA -1.197 56.672 58.200 -0.553 0.000 0.978 722 S CB 1.405 64.398 63.200 -0.344 0.000 1.041 722 S HN 0.675 nan 8.310 nan 0.000 0.485 723 E N 3.091 122.955 120.200 -0.559 0.000 2.001 723 E HA 0.218 4.567 4.350 -0.001 0.000 0.279 723 E C -1.856 174.388 176.600 -0.594 0.000 1.045 723 E CA -2.001 54.036 56.400 -0.603 0.000 0.833 723 E CB 0.460 30.045 29.700 -0.192 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 0.203 177.339 177.300 -0.273 0.000 1.180 724 P CA 1.518 64.321 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 -1.612 118.778 120.500 -0.183 0.000 2.892 725 R HA 0.616 4.956 4.340 -0.001 0.000 0.265 725 R C -2.949 173.406 176.300 0.092 0.000 1.025 725 R CA -2.323 53.786 56.100 0.014 0.000 0.982 725 R CB 0.097 30.471 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 -0.697 176.763 177.300 0.268 0.000 1.231 726 P CA -0.367 62.793 63.100 0.100 0.000 0.790 726 P CB 0.523 32.250 31.700 0.044 0.000 0.951 727 I N 1.885 122.650 120.570 0.325 0.000 2.382 727 I HA 0.302 4.472 4.170 -0.001 0.000 0.286 727 I C 1.168 177.645 176.117 0.600 0.000 1.002 727 I CA -0.312 61.215 61.300 0.379 0.000 1.135 727 I CB 0.751 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 3.530 112.682 108.800 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 45.460 45.100 0.360 0.000 1.002 728 G HN 0.577 nan 8.290 nan 0.000 0.519 729 T N -1.401 113.243 114.554 0.150 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 0.116 0.000 1.163 729 T HN 0.362 nan 8.240 nan 0.000 0.517 730 R N 1.204 121.800 120.500 0.160 0.000 2.391 730 R HA 0.345 4.684 4.340 -0.001 0.000 0.310 730 R C -0.592 175.743 176.300 0.059 0.000 1.174 730 R CA -0.168 55.963 56.100 0.051 0.000 1.118 730 R CB 0.377 30.614 30.300 -0.105 0.000 1.134 730 R HN 0.327 nan 8.270 nan 0.000 0.524 731 Y N 0.599 120.923 120.300 0.040 0.000 2.452 731 Y HA 0.238 4.787 4.550 -0.001 0.000 0.262 731 Y C 0.463 176.419 175.900 0.092 0.000 1.089 731 Y CA -0.069 58.075 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 0.735 122.119 121.223 0.268 0.000 2.334 732 L HA 0.468 4.808 4.340 -0.001 0.000 0.275 732 L C 0.169 177.137 176.870 0.163 0.000 1.036 732 L CA -0.763 54.262 54.840 0.309 0.000 0.807 732 L CB 1.563 43.968 42.059 0.576 0.000 1.231 732 L HN 0.007 nan 8.230 nan 0.000 0.438 733 T N -0.233 114.421 114.554 0.166 0.000 2.794 733 T HA 0.573 4.923 4.350 -0.001 0.000 0.280 733 T C -0.414 174.219 174.700 -0.112 0.000 0.987 733 T CA -0.876 61.234 62.100 0.017 0.000 0.993 733 T CB 2.031 70.940 68.868 0.069 0.000 0.939 733 T HN 0.592 nan 8.240 nan 0.000 0.449 734 R N 2.085 122.398 120.500 -0.312 0.000 2.807 734 R HA 0.476 4.816 4.340 -0.001 0.000 0.276 734 R C -0.729 175.501 176.300 -0.118 0.000 0.979 734 R CA -0.677 55.188 56.100 -0.392 0.000 0.928 734 R CB 1.448 31.114 30.300 -1.056 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 0.345 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 52.797 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 0.000 121.220 121.223 -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