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_P 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 1.708 124.547 122.820 0.033 0.000 2.476 218 A HA 0.808 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 -0.540 51.520 52.037 0.038 0.000 0.753 218 A CB 1.564 20.583 19.000 0.032 0.000 1.248 218 A HN 0.515 nan 8.150 nan 0.000 0.424 219 D N 0.550 120.973 120.400 0.038 0.000 2.989 219 D HA 0.694 5.334 4.640 -0.001 0.000 0.284 219 D C 0.675 176.995 176.300 0.034 0.000 1.212 219 D CA 0.280 54.299 54.000 0.033 0.000 1.055 219 D CB 1.316 42.136 40.800 0.033 0.000 1.351 219 D HN 0.676 nan 8.370 nan 0.000 0.611 220 G N -0.707 108.112 108.800 0.031 0.000 2.828 220 G HA2 0.456 4.416 3.960 -0.001 0.000 0.244 220 G HA3 0.456 4.416 3.960 -0.001 0.000 0.244 220 G C 0.812 175.730 174.900 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 0.473 120.401 119.914 0.023 0.000 2.273 221 V HA 0.110 4.229 4.120 -0.001 0.000 0.242 221 V C 2.375 178.481 176.094 0.020 0.000 1.035 221 V CA 1.855 64.167 62.300 0.021 0.000 1.013 221 V CB -0.664 31.167 31.823 0.014 0.000 0.652 221 V HN 0.731 nan 8.190 nan 0.000 0.452 222 G N 1.190 110.000 108.800 0.017 0.000 3.709 222 G HA2 0.234 4.193 3.960 -0.001 0.000 0.272 222 G HA3 0.234 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 45.121 45.100 0.015 0.000 1.512 222 G HN 0.426 nan 8.290 nan 0.000 0.625 223 N N 0.147 118.863 118.700 0.027 0.000 2.571 223 N HA 0.215 4.954 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 1.335 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 0.882 175.535 174.600 0.088 0.000 1.276 224 S CA -0.106 58.145 58.200 0.084 0.000 1.075 224 S CB 0.376 63.630 63.200 0.089 0.000 0.849 224 S HN 0.561 nan 8.310 nan 0.000 0.494 225 S N 1.740 117.521 115.700 0.134 0.000 2.743 225 S HA 0.542 5.012 4.470 -0.001 0.000 0.230 225 S C 0.716 175.365 174.600 0.080 0.000 0.950 225 S CA -0.276 57.998 58.200 0.123 0.000 0.976 225 S CB -0.723 62.576 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 -1.801 172.966 174.900 -0.221 0.000 1.498 226 G CA -1.090 43.787 45.100 -0.373 0.000 0.847 226 G HN 0.267 nan 8.290 nan 0.000 0.594 227 N N -0.712 117.806 118.700 -0.303 0.000 2.471 227 N HA 0.428 5.167 4.740 -0.001 0.000 0.288 227 N C -0.782 174.727 175.510 -0.002 0.000 1.220 227 N CA -0.851 52.146 53.050 -0.087 0.000 0.893 227 N CB 1.999 40.387 38.487 -0.165 0.000 1.256 227 N HN 0.536 nan 8.380 nan 0.000 0.534 228 W N 2.781 124.018 121.300 -0.106 0.000 2.365 228 W HA 0.142 4.802 4.660 -0.001 0.000 0.371 228 W C -0.954 175.467 176.519 -0.162 0.000 1.006 228 W CA 0.001 57.339 57.345 -0.012 0.000 1.528 228 W CB -0.283 29.177 29.460 -0.000 0.000 1.497 228 W HN 0.458 nan 8.180 nan 0.000 0.367 229 H N 4.867 123.862 119.070 -0.125 0.000 2.787 229 H HA 0.181 4.736 4.556 -0.001 0.000 0.275 229 H C -0.190 175.022 175.328 -0.194 0.000 1.183 229 H CA -0.032 55.953 56.048 -0.106 0.000 1.290 229 H CB 1.087 30.775 29.762 -0.123 0.000 1.438 229 H HN 0.159 nan 8.280 nan 0.000 0.487 230 C N 4.466 123.770 119.300 0.005 0.000 2.547 230 C HA 0.354 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 2.154 122.576 120.400 0.037 0.000 2.710 231 D HA 0.642 5.282 4.640 -0.001 0.000 0.276 231 D C -1.277 175.017 176.300 -0.011 0.000 1.267 231 D CA 0.158 54.180 54.000 0.037 0.000 0.772 231 D CB 2.110 42.945 40.800 0.059 0.000 1.299 231 D HN 0.627 nan 8.370 nan 0.000 0.421 232 S N 0.816 116.506 115.700 -0.015 0.000 2.603 232 S HA 0.725 5.194 4.470 -0.001 0.000 0.274 232 S C -1.460 173.104 174.600 -0.059 0.000 1.168 232 S CA -0.851 57.289 58.200 -0.100 0.000 0.963 232 S CB 1.720 64.806 63.200 -0.190 0.000 1.078 232 S HN 0.462 nan 8.310 nan 0.000 0.477 233 Q N 1.412 121.150 119.800 -0.104 0.000 2.458 233 Q HA 0.808 5.148 4.340 -0.001 0.000 0.282 233 Q C -1.674 174.267 176.000 -0.099 0.000 1.106 233 Q CA -0.592 55.224 55.803 0.022 0.000 0.814 233 Q CB 0.428 29.210 28.738 0.073 0.000 1.425 233 Q HN 0.761 nan 8.270 nan 0.000 0.437 234 W N 0.340 121.659 121.300 0.033 0.000 2.639 234 W HA 0.573 5.232 4.660 -0.001 0.000 0.347 234 W C -0.011 176.530 176.519 0.035 0.000 1.067 234 W CA -0.782 56.587 57.345 0.040 0.000 1.218 234 W CB 1.103 30.582 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 4.573 4.340 -0.001 0.000 0.255 235 L C 1.666 178.631 176.870 0.159 0.000 1.166 235 L CA 0.903 55.841 54.840 0.163 0.000 0.977 235 L CB -0.743 41.379 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 0.989 175.972 174.900 0.139 0.000 1.073 236 G CA 1.121 46.310 45.100 0.147 0.000 0.643 236 G HN 0.384 nan 8.290 nan 0.000 0.525 237 D N 0.350 120.833 120.400 0.138 0.000 2.388 237 D HA 0.190 4.829 4.640 -0.001 0.000 0.208 237 D C 1.230 177.634 176.300 0.173 0.000 1.035 237 D CA 1.174 55.251 54.000 0.129 0.000 0.875 237 D CB 0.191 41.046 40.800 0.092 0.000 0.984 237 D HN 0.864 nan 8.370 nan 0.000 0.508 238 R N -1.746 118.866 120.500 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 1.075 31.457 30.300 0.136 0.000 1.268 238 R HN -0.128 nan 8.270 nan 0.000 0.475 239 V N 1.631 121.597 119.914 0.087 0.000 2.686 239 V HA 0.565 4.684 4.120 -0.001 0.000 0.306 239 V C -1.575 174.488 176.094 -0.051 0.000 1.065 239 V CA -0.878 61.323 62.300 -0.166 0.000 0.894 239 V CB 1.954 33.354 31.823 -0.705 0.000 1.004 239 V HN 0.673 nan 8.190 nan 0.000 0.424 240 I N 5.598 126.085 120.570 -0.139 0.000 2.339 240 I HA 0.505 4.674 4.170 -0.001 0.000 0.290 240 I C 0.442 176.478 176.117 -0.135 0.000 0.994 240 I CA 0.071 61.333 61.300 -0.064 0.000 1.191 240 I CB 2.055 40.015 38.000 -0.066 0.000 1.343 240 I HN 0.783 nan 8.210 nan 0.000 0.458 241 T N 1.454 115.971 114.554 -0.061 0.000 2.756 241 T HA 0.596 4.946 4.350 -0.001 0.000 0.290 241 T C -0.069 174.601 174.700 -0.049 0.000 0.985 241 T CA -0.680 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 2.897 117.416 114.554 -0.059 0.000 2.794 242 T HA 0.637 4.987 4.350 -0.001 0.000 0.280 242 T C -0.300 174.374 174.700 -0.043 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 -0.037 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 5.155 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 -0.537 57.606 58.200 -0.096 0.000 0.970 243 S CB 1.205 64.383 63.200 -0.037 0.000 1.039 243 S HN 0.665 nan 8.310 nan 0.000 0.485 244 T N 5.325 119.659 114.554 -0.365 0.000 2.881 244 T HA 0.665 5.014 4.350 -0.001 0.000 0.290 244 T C -0.957 173.362 174.700 -0.634 0.000 1.000 244 T CA -0.840 60.883 62.100 -0.628 0.000 0.978 244 T CB 1.089 69.238 68.868 -1.199 0.000 0.997 244 T HN 0.505 nan 8.240 nan 0.000 0.443 245 R N 1.234 121.568 120.500 -0.276 0.000 2.836 245 R HA 0.637 4.977 4.340 -0.001 0.000 0.269 245 R C -0.815 175.619 176.300 0.224 0.000 1.010 245 R CA -0.816 55.352 56.100 0.113 0.000 0.930 245 R CB 1.681 32.191 30.300 0.350 0.000 1.218 245 R HN 0.564 nan 8.270 nan 0.000 0.473 246 T N 2.616 117.359 114.554 0.315 0.000 2.799 246 T HA 0.513 4.863 4.350 -0.001 0.000 0.286 246 T C -0.192 174.463 174.700 -0.074 0.000 0.973 246 T CA -0.624 61.516 62.100 0.067 0.000 1.035 246 T CB 0.660 69.560 68.868 0.054 0.000 0.932 246 T HN 0.456 nan 8.240 nan 0.000 0.469 247 W N 0.670 121.811 121.300 -0.265 0.000 2.799 247 W HA 0.836 5.495 4.660 -0.001 0.000 0.349 247 W C -1.302 174.995 176.519 -0.371 0.000 1.100 247 W CA -1.716 55.196 57.345 -0.723 0.000 1.174 247 W CB 1.391 30.498 29.460 -0.588 0.000 1.427 247 W HN 0.730 nan 8.180 nan 0.000 0.547 248 A N 2.737 125.544 122.820 -0.022 0.000 2.414 248 A HA 0.761 5.081 4.320 -0.001 0.000 0.306 248 A C -2.197 175.508 177.584 0.201 0.000 1.054 248 A CA -0.759 51.341 52.037 0.105 0.000 0.724 248 A CB 1.977 20.961 19.000 -0.027 0.000 1.267 248 A HN 0.675 nan 8.150 nan 0.000 0.418 249 L N 3.681 125.075 121.223 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 -1.586 53.351 54.840 0.162 0.000 0.836 249 L CB 2.123 44.274 42.059 0.152 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 -1.049 176.094 177.300 -0.263 0.000 1.304 250 P CA -0.420 62.539 63.100 -0.234 0.000 0.767 250 P CB 0.541 31.932 31.700 -0.516 0.000 1.247 251 T N 0.612 114.999 114.554 -0.279 0.000 2.762 251 T HA 0.320 4.670 4.350 -0.001 0.000 0.303 251 T C -0.361 174.132 174.700 -0.345 0.000 0.977 251 T CA 0.081 62.005 62.100 -0.293 0.000 0.961 251 T CB -0.848 67.804 68.868 -0.359 0.000 0.944 251 T HN 0.126 nan 8.240 nan 0.000 0.481 252 Y N 2.086 122.280 120.300 -0.175 0.000 2.301 252 Y HA 0.187 4.737 4.550 -0.001 0.000 0.328 252 Y C 1.684 177.499 175.900 -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 1.938 120.694 118.700 0.092 0.000 2.650 253 N HA -0.395 4.345 4.740 -0.001 0.000 0.249 253 N C -0.365 175.138 175.510 -0.012 0.000 1.155 253 N CA 0.771 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 0.766 nan 8.380 nan 0.000 0.564 254 N N 0.169 118.807 118.700 -0.104 0.000 2.714 254 N HA -0.208 4.532 4.740 -0.001 0.000 0.253 254 N C -0.559 174.898 175.510 -0.089 0.000 1.024 254 N CA 2.031 54.999 53.050 -0.138 0.000 0.726 254 N CB -1.747 36.750 38.487 0.018 0.000 0.908 254 N HN 0.721 nan 8.380 nan 0.000 0.542 255 H N -2.727 116.298 119.070 -0.076 0.000 2.861 255 H HA -0.203 4.353 4.556 -0.001 0.000 0.289 255 H C -0.159 175.144 175.328 -0.042 0.000 1.176 255 H CA 1.213 57.165 56.048 -0.159 0.000 1.146 255 H CB -1.138 28.389 29.762 -0.392 0.000 1.330 255 H HN 0.352 nan 8.280 nan 0.000 0.379 256 L N 0.133 121.399 121.223 0.072 0.000 2.401 256 L HA 0.452 4.791 4.340 -0.001 0.000 0.266 256 L C -0.242 176.690 176.870 0.102 0.000 0.991 256 L CA -1.028 53.901 54.840 0.149 0.000 0.818 256 L CB 1.406 43.570 42.059 0.174 0.000 1.321 256 L HN 0.021 nan 8.230 nan 0.000 0.413 257 Y N 2.076 122.529 120.300 0.254 0.000 2.336 257 Y HA 0.324 4.873 4.550 -0.001 0.000 0.335 257 Y C 0.030 176.087 175.900 0.262 0.000 1.046 257 Y CA -0.164 58.124 58.100 0.312 0.000 1.198 257 Y CB 1.017 39.731 38.460 0.423 0.000 1.182 257 Y HN 0.284 nan 8.280 nan 0.000 0.502 258 K N 2.872 123.482 120.400 0.350 0.000 2.270 258 K HA 0.225 4.544 4.320 -0.001 0.000 0.255 258 K C -0.820 175.870 176.600 0.150 0.000 0.936 258 K CA -1.060 55.353 56.287 0.210 0.000 0.809 258 K CB 1.966 34.532 32.500 0.109 0.000 1.131 258 K HN 0.597 nan 8.250 nan 0.000 0.427 259 Q N 5.111 124.919 119.800 0.014 0.000 2.307 259 Q HA 0.195 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 -0.334 55.226 55.803 -0.404 0.000 0.911 259 Q CB 0.200 28.743 28.738 -0.325 0.000 1.227 259 Q HN 0.581 nan 8.270 nan 0.000 0.418 260 I N 1.029 121.258 120.570 -0.568 0.000 2.707 260 I HA 0.793 4.962 4.170 -0.001 0.000 0.309 260 I C -0.508 175.250 176.117 -0.598 0.000 1.001 260 I CA -0.726 60.344 61.300 -0.383 0.000 1.129 260 I CB 2.079 39.985 38.000 -0.156 0.000 1.308 260 I HN 0.693 nan 8.210 nan 0.000 0.466 261 S N 1.865 117.255 115.700 -0.517 0.000 2.661 261 S HA 0.468 4.938 4.470 -0.001 0.000 0.268 261 S C -0.560 173.498 174.600 -0.904 0.000 1.162 261 S CA -0.592 57.147 58.200 -0.768 0.000 0.817 261 S CB 0.874 63.935 63.200 -0.231 0.000 1.141 261 S HN 0.994 nan 8.310 nan 0.000 0.477 262 S N 1.146 116.364 115.700 -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 -0.032 0.000 1.339 262 S CA -0.553 57.508 58.200 -0.232 0.000 1.039 262 S CB 0.291 63.556 63.200 0.109 0.000 0.902 262 S HN 0.769 nan 8.310 nan 0.000 0.516 263 Q N 1.460 121.280 119.800 0.034 0.000 2.349 263 Q HA 0.054 4.394 4.340 -0.001 0.000 0.287 263 Q C -0.356 175.670 176.000 0.042 0.000 1.044 263 Q CA 0.381 56.198 55.803 0.024 0.000 0.918 263 Q CB 0.548 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 2.501 118.221 115.700 0.033 0.000 2.711 264 S HA 0.211 4.681 4.470 -0.001 0.000 0.335 264 S C 0.680 175.310 174.600 0.049 0.000 1.175 264 S CA 0.422 58.649 58.200 0.045 0.000 1.372 264 S CB -0.741 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 2.019 110.874 108.800 0.091 0.000 2.353 265 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.294 265 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.294 265 G C 0.465 175.370 174.900 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 -1.075 121.725 122.820 -0.035 0.000 2.127 266 A HA 0.818 5.137 4.320 -0.001 0.000 0.204 266 A C 1.084 178.601 177.584 -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 19.808 19.000 -0.044 0.000 0.933 266 A HN 1.558 nan 8.150 nan 0.000 0.479 267 S N -1.997 113.578 115.700 -0.208 0.000 2.552 267 S HA 0.334 4.803 4.470 -0.001 0.000 0.272 267 S C 0.026 174.369 174.600 -0.428 0.000 1.150 267 S CA -0.393 57.657 58.200 -0.250 0.000 0.849 267 S CB 1.259 64.329 63.200 -0.218 0.000 1.113 267 S HN 0.406 nan 8.310 nan 0.000 0.458 268 N N 0.667 119.243 118.700 -0.207 0.000 2.571 268 N HA 0.034 4.774 4.740 -0.001 0.000 0.195 268 N C 0.016 175.568 175.510 0.070 0.000 1.040 268 N CA 0.202 53.241 53.050 -0.018 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 0.014 0.000 2.363 269 D HA 0.030 4.670 4.640 -0.001 0.000 0.226 269 D C -0.020 176.293 176.300 0.021 0.000 1.020 269 D CA 0.630 54.668 54.000 0.064 0.000 0.892 269 D CB -0.199 40.658 40.800 0.094 0.000 0.900 269 D HN 0.408 nan 8.370 nan 0.000 0.531 270 N N -0.601 118.069 118.700 -0.050 0.000 2.200 270 N HA 0.006 4.745 4.740 -0.001 0.000 0.224 270 N C 0.040 175.594 175.510 0.074 0.000 1.179 270 N CA -0.354 52.675 53.050 -0.036 0.000 0.877 270 N CB 0.734 39.151 38.487 -0.116 0.000 1.072 270 N HN 0.069 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 0.044 4.600 4.556 -0.001 0.000 0.355 271 H C -0.424 175.079 175.328 0.291 0.000 1.092 271 H CA 0.679 56.834 56.048 0.179 0.000 1.420 271 H CB 0.367 30.184 29.762 0.092 0.000 1.400 271 H HN 0.259 nan 8.280 nan 0.000 0.604 272 Y N 0.555 120.979 120.300 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 -1.376 56.815 58.100 0.151 0.000 1.072 272 Y CB 1.307 39.811 38.460 0.073 0.000 1.327 272 Y HN 0.403 nan 8.280 nan 0.000 0.456 273 F N 1.281 121.200 119.950 -0.052 0.000 2.588 273 F HA 0.833 5.360 4.527 -0.001 0.000 0.314 273 F C -0.346 175.405 175.800 -0.081 0.000 1.134 273 F CA 0.036 57.916 58.000 -0.199 0.000 0.961 273 F CB 1.970 40.877 39.000 -0.155 0.000 1.239 273 F HN 1.087 nan 8.300 nan 0.000 0.448 274 G N 2.931 111.223 108.800 -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 0.517 nan 8.290 nan 0.000 0.492 275 Y N -0.892 119.041 120.300 -0.611 0.000 2.588 275 Y HA 0.729 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 57.073 58.100 -0.384 0.000 1.038 275 Y CB 2.603 40.946 38.460 -0.195 0.000 1.297 275 Y HN 0.538 nan 8.280 nan 0.000 0.467 276 S N 1.297 117.073 115.700 0.126 0.000 2.456 276 S HA 0.573 5.043 4.470 -0.001 0.000 0.316 276 S C -0.594 174.133 174.600 0.213 0.000 1.089 276 S CA -0.539 57.728 58.200 0.112 0.000 1.101 276 S CB 0.201 63.435 63.200 0.056 0.000 0.995 276 S HN 0.701 nan 8.310 nan 0.000 0.468 277 T N 2.732 117.420 114.554 0.223 0.000 2.902 277 T HA 0.563 4.913 4.350 -0.001 0.000 0.283 277 T C -2.424 172.289 174.700 0.021 0.000 1.009 277 T CA -2.080 60.094 62.100 0.125 0.000 1.051 277 T CB 1.376 70.555 68.868 0.518 0.000 0.999 277 T HN 0.297 nan 8.240 nan 0.000 0.474 278 P HA 0.145 nan 4.420 nan 0.000 0.242 278 P C -0.689 176.571 177.300 -0.068 0.000 1.197 278 P CA 0.043 63.073 63.100 -0.116 0.000 0.765 278 P CB -0.084 31.463 31.700 -0.255 0.000 0.936 279 W N 0.323 121.607 121.300 -0.026 0.000 2.375 279 W HA 0.560 5.219 4.660 -0.001 0.000 0.336 279 W C 1.073 177.571 176.519 -0.035 0.000 1.160 279 W CA -0.045 57.298 57.345 -0.004 0.000 1.266 279 W CB 0.688 30.138 29.460 -0.017 0.000 1.195 279 W HN -0.190 nan 8.180 nan 0.000 0.599 280 G N 0.569 109.464 108.800 0.159 0.000 2.705 280 G HA2 0.738 4.697 3.960 -0.001 0.000 0.299 280 G HA3 0.738 4.697 3.960 -0.001 0.000 0.299 280 G C -1.970 172.929 174.900 -0.001 0.000 1.315 280 G CA -0.711 44.364 45.100 -0.042 0.000 1.045 280 G HN 0.574 nan 8.290 nan 0.000 0.517 281 Y N -2.922 117.230 120.300 -0.247 0.000 2.624 281 Y HA 0.733 5.283 4.550 -0.001 0.000 0.334 281 Y C -1.787 173.920 175.900 -0.322 0.000 1.155 281 Y CA -2.188 55.755 58.100 -0.261 0.000 1.046 281 Y CB 1.065 39.411 38.460 -0.189 0.000 1.316 281 Y HN 0.395 nan 8.280 nan 0.000 0.457 282 F N 1.549 121.552 119.950 0.087 0.000 2.422 282 F HA 0.566 5.093 4.527 -0.001 0.000 0.333 282 F C -0.264 175.637 175.800 0.169 0.000 1.095 282 F CA -0.077 58.013 58.000 0.150 0.000 1.038 282 F CB 1.694 40.860 39.000 0.276 0.000 1.156 282 F HN 0.636 nan 8.300 nan 0.000 0.483 283 D N 1.715 122.308 120.400 0.321 0.000 2.753 283 D HA 0.446 5.085 4.640 -0.001 0.000 0.224 283 D C -0.886 175.496 176.300 0.138 0.000 1.213 283 D CA -0.516 53.525 54.000 0.068 0.000 0.833 283 D CB 1.289 42.141 40.800 0.086 0.000 1.607 283 D HN 0.289 nan 8.370 nan 0.000 0.463 284 F N 0.611 120.661 119.950 0.167 0.000 2.656 284 F HA 0.386 4.912 4.527 -0.001 0.000 0.363 284 F C 0.302 176.151 175.800 0.082 0.000 1.313 284 F CA -0.814 57.248 58.000 0.103 0.000 1.089 284 F CB -0.972 38.180 39.000 0.254 0.000 1.247 284 F HN 0.279 nan 8.300 nan 0.000 0.509 285 N N 1.837 120.369 118.700 -0.279 0.000 2.581 285 N HA 0.134 4.873 4.740 -0.001 0.000 0.230 285 N C -0.383 174.924 175.510 -0.340 0.000 1.310 285 N CA 0.011 52.700 53.050 -0.601 0.000 0.886 285 N CB 0.184 38.122 38.487 -0.914 0.000 1.205 285 N HN 0.371 nan 8.380 nan 0.000 0.488 286 R N -0.411 119.965 120.500 -0.205 0.000 2.628 286 R HA 0.193 4.532 4.340 -0.001 0.000 0.288 286 R C 0.014 176.189 176.300 -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 30.925 30.300 -0.526 0.000 1.188 286 R HN 0.129 nan 8.270 nan 0.000 0.450 287 F N 1.014 120.960 119.950 -0.006 0.000 2.216 287 F HA -0.183 4.343 4.527 -0.001 0.000 0.300 287 F C 2.316 178.155 175.800 0.065 0.000 1.085 287 F CA 1.698 59.786 58.000 0.146 0.000 1.326 287 F CB -0.071 38.837 39.000 -0.153 0.000 1.027 287 F HN 0.721 nan 8.300 nan 0.000 0.497 288 H N -2.790 116.346 119.070 0.109 0.000 2.561 288 H HA -0.039 4.517 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 0.576 56.648 56.048 0.041 0.000 1.211 288 H CB -1.413 28.348 29.762 -0.000 0.000 1.365 288 H HN 0.248 nan 8.280 nan 0.000 0.594 289 C N 0.668 119.826 119.300 -0.237 0.000 2.432 289 C HA -0.033 4.427 4.460 -0.001 0.000 0.280 289 C C 1.847 176.604 174.990 -0.388 0.000 1.353 289 C CA 1.011 59.815 59.018 -0.356 0.000 1.766 289 C CB -0.612 26.753 27.740 -0.625 0.000 1.924 289 C HN 0.799 nan 8.230 nan 0.000 0.509 290 H N -2.787 116.403 119.070 0.199 0.000 2.521 290 H HA 0.244 4.799 4.556 -0.001 0.000 0.267 290 H C 0.127 175.416 175.328 -0.065 0.000 0.963 290 H CA 0.193 56.288 56.048 0.080 0.000 1.175 290 H CB -0.199 29.662 29.762 0.166 0.000 1.450 290 H HN 0.311 nan 8.280 nan 0.000 0.472 291 F N 2.894 122.982 119.950 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 0.125 0.000 1.105 291 F CA -0.856 57.243 58.000 0.165 0.000 1.124 291 F CB 1.207 40.362 39.000 0.260 0.000 1.145 291 F HN -0.037 nan 8.300 nan 0.000 0.505 292 S N 2.735 118.599 115.700 0.274 0.000 2.632 292 S HA 0.369 4.839 4.470 -0.001 0.000 0.267 292 S C -2.023 172.681 174.600 0.173 0.000 1.276 292 S CA -1.168 57.146 58.200 0.189 0.000 0.998 292 S CB 1.506 64.797 63.200 0.152 0.000 0.953 292 S HN 0.344 nan 8.310 nan 0.000 0.547 293 P HA -0.173 nan 4.420 nan 0.000 0.216 293 P C 1.713 179.005 177.300 -0.013 0.000 1.157 293 P CA 1.305 64.309 63.100 -0.160 0.000 0.880 293 P CB -0.032 31.488 31.700 -0.300 0.000 0.791 294 R N 0.344 120.886 120.500 0.069 0.000 2.070 294 R HA -0.143 4.196 4.340 -0.001 0.000 0.233 294 R C 1.835 178.224 176.300 0.149 0.000 1.137 294 R CA 2.057 58.215 56.100 0.097 0.000 0.945 294 R CB -1.664 28.703 30.300 0.111 0.000 0.845 294 R HN 0.096 nan 8.270 nan 0.000 0.430 295 D N -0.353 120.208 120.400 0.267 0.000 2.116 295 D HA -0.257 4.383 4.640 -0.001 0.000 0.193 295 D C 1.689 178.232 176.300 0.405 0.000 0.998 295 D CA 1.321 55.603 54.000 0.470 0.000 0.836 295 D CB -0.650 40.477 40.800 0.544 0.000 0.951 295 D HN 0.408 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 -0.234 4.426 4.660 -0.001 0.000 0.299 296 W C 2.220 178.610 176.519 -0.214 0.000 1.215 296 W CA 1.417 58.663 57.345 -0.164 0.000 1.244 296 W CB -0.087 29.226 29.460 -0.245 0.000 1.140 296 W HN 0.119 nan 8.180 nan 0.000 0.523 297 Q N 0.339 120.107 119.800 -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 28.441 28.738 -0.036 0.000 0.899 297 Q HN 0.219 nan 8.270 nan 0.000 0.423 298 R N 0.361 120.752 120.500 -0.182 0.000 2.094 298 R HA -0.190 4.149 4.340 -0.001 0.000 0.239 298 R C 2.529 178.622 176.300 -0.346 0.000 1.137 298 R CA 1.702 57.604 56.100 -0.330 0.000 0.943 298 R CB -0.799 29.157 30.300 -0.574 0.000 0.850 298 R HN 0.354 nan 8.270 nan 0.000 0.433 299 L N 0.813 121.894 121.223 -0.236 0.000 1.971 299 L HA -0.258 4.082 4.340 -0.001 0.000 0.215 299 L C 2.237 178.888 176.870 -0.366 0.000 1.072 299 L CA 1.534 56.233 54.840 -0.235 0.000 0.758 299 L CB -0.287 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 0.446 120.688 120.570 -0.548 0.000 2.163 300 I HA -0.303 3.867 4.170 -0.001 0.000 0.243 300 I C 1.949 177.940 176.117 -0.211 0.000 1.085 300 I CA 1.527 62.555 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 -0.222 0.000 2.521 301 N HA -0.058 4.682 4.740 -0.001 0.000 0.188 301 N C 1.071 176.538 175.510 -0.072 0.000 1.146 301 N CA 0.451 53.431 53.050 -0.117 0.000 0.893 301 N CB -0.077 38.331 38.487 -0.132 0.000 0.975 301 N HN 0.469 nan 8.380 nan 0.000 0.451 302 N N -0.282 118.362 118.700 -0.094 0.000 2.266 302 N HA 0.090 4.829 4.740 -0.001 0.000 0.217 302 N C -0.616 174.856 175.510 -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 -0.174 0.000 1.153 302 N HN 0.150 nan 8.380 nan 0.000 0.489 303 N N -0.146 118.574 118.700 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 52.685 53.050 0.130 0.000 0.857 303 N CB 1.770 40.359 38.487 0.170 0.000 1.256 303 N HN 0.143 nan 8.380 nan 0.000 0.484 304 W N 1.916 123.237 121.300 0.034 0.000 2.321 304 W HA -0.127 4.532 4.660 -0.001 0.000 0.306 304 W C 1.120 177.728 176.519 0.149 0.000 1.217 304 W CA 0.268 57.631 57.345 0.030 0.000 1.257 304 W CB 0.342 29.732 29.460 -0.117 0.000 1.145 304 W HN 0.591 nan 8.180 nan 0.000 0.509 305 G N -1.860 107.195 108.800 0.425 0.000 2.550 305 G HA2 0.468 4.427 3.960 -0.001 0.000 0.293 305 G HA3 0.468 4.427 3.960 -0.001 0.000 0.293 305 G C -1.821 173.534 174.900 0.759 0.000 1.402 305 G CA -0.658 44.732 45.100 0.484 0.000 0.784 305 G HN 0.087 nan 8.290 nan 0.000 0.482 306 F N -1.313 119.079 119.950 0.737 0.000 2.779 306 F HA 0.945 5.472 4.527 -0.001 0.000 0.316 306 F C -0.759 175.289 175.800 0.412 0.000 1.164 306 F CA -1.368 57.008 58.000 0.626 0.000 0.924 306 F CB 1.653 40.883 39.000 0.383 0.000 1.348 306 F HN 0.928 nan 8.300 nan 0.000 0.467 307 R N -0.354 120.348 120.500 0.336 0.000 2.712 307 R HA 0.689 5.028 4.340 -0.001 0.000 0.272 307 R C -3.636 172.588 176.300 -0.127 0.000 1.032 307 R CA -1.933 54.021 56.100 -0.243 0.000 0.874 307 R CB 1.602 31.421 30.300 -0.801 0.000 1.256 307 R HN 0.374 nan 8.270 nan 0.000 0.468 308 P HA 0.314 nan 4.420 nan 0.000 0.278 308 P C -0.731 176.071 177.300 -0.830 0.000 1.238 308 P CA -0.580 61.759 63.100 -1.268 0.000 0.794 308 P CB 1.154 31.526 31.700 -2.213 0.000 0.955 309 K N 0.997 121.084 120.400 -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 0.212 32.618 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 -1.225 175.365 176.600 -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 -0.355 120.820 121.223 -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 0.007 54.829 54.840 -0.030 0.000 0.848 311 L CB 2.481 44.567 42.059 0.046 0.000 1.334 311 L HN 0.513 nan 8.230 nan 0.000 0.407 312 S N 4.371 120.048 115.700 -0.038 0.000 2.779 312 S HA 0.572 5.042 4.470 -0.001 0.000 0.293 312 S C -1.284 173.352 174.600 0.060 0.000 1.150 312 S CA -0.259 57.919 58.200 -0.037 0.000 1.057 312 S CB 0.735 63.875 63.200 -0.100 0.000 1.021 312 S HN 0.472 nan 8.310 nan 0.000 0.485 313 F N 3.669 123.631 119.950 0.020 0.000 2.436 313 F HA 0.660 5.186 4.527 -0.001 0.000 0.340 313 F C -0.138 175.723 175.800 0.102 0.000 1.113 313 F CA -0.403 57.655 58.000 0.097 0.000 1.022 313 F CB 0.817 39.991 39.000 0.291 0.000 1.128 313 F HN 0.385 nan 8.300 nan 0.000 0.466 314 K N 7.236 127.364 120.400 -0.453 0.000 2.513 314 K HA 0.557 4.876 4.320 -0.001 0.000 0.251 314 K C -2.114 174.425 176.600 -0.102 0.000 0.939 314 K CA -0.619 55.593 56.287 -0.125 0.000 0.793 314 K CB 1.496 33.975 32.500 -0.035 0.000 1.241 314 K HN 0.763 nan 8.250 nan 0.000 0.431 315 L N 6.057 127.389 121.223 0.182 0.000 2.341 315 L HA 0.682 5.021 4.340 -0.001 0.000 0.278 315 L C -0.761 176.372 176.870 0.438 0.000 1.005 315 L CA -0.825 54.131 54.840 0.194 0.000 0.818 315 L CB 0.941 43.102 42.059 0.171 0.000 1.259 315 L HN 0.706 nan 8.230 nan 0.000 0.418 316 F N -0.510 119.551 119.950 0.185 0.000 2.985 316 F HA 0.399 4.925 4.527 -0.001 0.000 0.322 316 F C 0.058 175.944 175.800 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 40.136 39.000 0.088 0.000 1.411 316 F HN 0.459 nan 8.300 nan 0.000 0.492 317 N N 0.347 119.214 118.700 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 -1.141 37.408 38.487 0.103 0.000 0.950 317 N HN 0.470 nan 8.380 nan 0.000 0.541 318 I N 1.005 121.617 120.570 0.069 0.000 2.588 318 I HA 0.012 4.181 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 0.059 0.000 1.419 318 I CB 0.665 38.779 38.000 0.189 0.000 1.394 318 I HN 0.144 nan 8.210 nan 0.000 0.562 319 Q N 5.441 125.197 119.800 -0.073 0.000 2.305 319 Q HA 0.511 4.851 4.340 -0.001 0.000 0.271 319 Q C -1.374 174.550 176.000 -0.127 0.000 1.046 319 Q CA -0.771 54.976 55.803 -0.094 0.000 0.798 319 Q CB 3.129 31.790 28.738 -0.129 0.000 1.286 319 Q HN 0.384 nan 8.270 nan 0.000 0.435 320 V N 3.368 123.211 119.914 -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 -0.251 0.000 1.022 320 V CA -0.706 61.493 62.300 -0.168 0.000 0.830 320 V CB 0.893 32.667 31.823 -0.082 0.000 1.012 320 V HN 0.545 nan 8.190 nan 0.000 0.452 321 K N 4.270 124.372 120.400 -0.496 0.000 2.183 321 K HA 0.497 4.816 4.320 -0.001 0.000 0.274 321 K C -0.120 176.232 176.600 -0.414 0.000 1.009 321 K CA -0.493 55.489 56.287 -0.510 0.000 0.888 321 K CB 2.201 34.260 32.500 -0.735 0.000 1.078 321 K HN 0.861 nan 8.250 nan 0.000 0.459 322 E N 0.519 120.631 120.200 -0.147 0.000 2.166 322 E HA 0.422 4.771 4.350 -0.001 0.000 0.275 322 E C -0.754 175.878 176.600 0.052 0.000 0.941 322 E CA -0.995 55.392 56.400 -0.020 0.000 0.784 322 E CB 1.874 31.573 29.700 -0.002 0.000 1.115 322 E HN 0.122 nan 8.360 nan 0.000 0.399 323 V N 2.756 122.739 119.914 0.114 0.000 2.630 323 V HA 0.751 4.871 4.120 -0.001 0.000 0.305 323 V C -0.909 175.227 176.094 0.071 0.000 1.046 323 V CA -0.016 62.350 62.300 0.111 0.000 0.934 323 V CB 1.927 33.837 31.823 0.145 0.000 1.003 323 V HN 1.001 nan 8.190 nan 0.000 0.451 324 T N 3.062 117.647 114.554 0.052 0.000 2.879 324 T HA 0.587 4.937 4.350 -0.001 0.000 0.290 324 T C -0.947 173.769 174.700 0.028 0.000 0.993 324 T CA -0.733 61.391 62.100 0.039 0.000 0.975 324 T CB 1.574 70.462 68.868 0.034 0.000 0.981 324 T HN 0.583 nan 8.240 nan 0.000 0.439 325 Q N 3.134 122.947 119.800 0.022 0.000 2.441 325 Q HA 0.405 4.744 4.340 -0.001 0.000 0.234 325 Q C 0.843 176.850 176.000 0.012 0.000 1.078 325 Q CA -0.507 55.304 55.803 0.014 0.000 0.907 325 Q CB 0.620 29.363 28.738 0.009 0.000 1.269 325 Q HN 0.547 nan 8.270 nan 0.000 0.502 326 N N 1.382 120.088 118.700 0.011 0.000 2.124 326 N HA -0.068 4.671 4.740 -0.001 0.000 0.189 326 N C 0.123 175.637 175.510 0.006 0.000 1.050 326 N CA 1.215 54.271 53.050 0.009 0.000 0.848 326 N CB 0.353 38.845 38.487 0.009 0.000 1.027 326 N HN 0.451 nan 8.380 nan 0.000 0.435 327 D N -1.370 119.032 120.400 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 54.612 54.000 0.002 0.000 1.197 327 D CB -0.373 40.428 40.800 0.002 0.000 1.041 327 D HN 0.276 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 4.206 3.960 -0.001 0.000 0.291 328 G HA3 0.246 4.206 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 0.660 115.214 114.554 0.000 0.000 2.881 329 T HA 0.504 4.854 4.350 -0.001 0.000 0.291 329 T C -0.153 174.550 174.700 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 2.745 117.301 114.554 0.003 0.000 2.723 330 T HA 0.511 4.861 4.350 -0.001 0.000 0.297 330 T C 0.476 175.185 174.700 0.015 0.000 0.925 330 T CA -0.774 61.331 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 0.729 nan 8.240 nan 0.000 0.502 331 T N 1.899 116.467 114.554 0.022 0.000 2.829 331 T HA 0.692 5.041 4.350 -0.001 0.000 0.282 331 T C -0.064 174.662 174.700 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 1.986 122.585 120.570 0.048 0.000 2.433 332 I HA 0.732 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 -1.045 60.297 61.300 0.071 0.000 1.119 332 I CB 1.679 39.755 38.000 0.126 0.000 1.289 332 I HN 0.955 nan 8.210 nan 0.000 0.438 333 A N 5.121 127.948 122.820 0.012 0.000 2.525 333 A HA 0.665 4.985 4.320 -0.001 0.000 0.291 333 A C -1.221 176.338 177.584 -0.042 0.000 1.268 333 A CA -0.782 51.249 52.037 -0.010 0.000 0.712 333 A CB 1.387 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 2.008 120.686 118.700 -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 -0.185 52.834 53.050 -0.052 0.000 0.941 334 N CB 1.246 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 3.800 122.469 118.700 -0.052 0.000 2.955 335 N HA 0.200 4.940 4.740 -0.001 0.000 0.242 335 N C 1.048 176.542 175.510 -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 38.632 38.487 -0.031 0.000 1.214 335 N HN 0.486 nan 8.380 nan 0.000 0.504 336 L N 0.544 121.756 121.223 -0.018 0.000 2.046 336 L HA -0.139 4.201 4.340 -0.001 0.000 0.208 336 L C 2.001 178.870 176.870 -0.002 0.000 1.077 336 L CA 1.528 56.362 54.840 -0.010 0.000 0.747 336 L CB -0.753 41.304 42.059 -0.005 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 -0.011 4.339 4.350 -0.001 0.000 0.257 337 T C 0.816 175.517 174.700 0.002 0.000 1.162 337 T CA 0.015 62.117 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 0.117 nan 8.240 nan 0.000 0.535 338 S N 1.594 117.292 115.700 -0.003 0.000 2.616 338 S HA 0.600 5.070 4.470 -0.001 0.000 0.277 338 S C 0.235 174.837 174.600 0.003 0.000 1.234 338 S CA -0.572 57.624 58.200 -0.006 0.000 1.028 338 S CB 1.069 64.260 63.200 -0.016 0.000 0.988 338 S HN 0.715 nan 8.310 nan 0.000 0.522 339 T N 0.044 114.600 114.554 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 0.014 0.000 1.054 339 T CA -0.767 61.344 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 -0.829 61.488 62.300 0.027 0.000 0.998 340 V CB 2.266 34.135 31.823 0.076 0.000 1.042 340 V HN 1.059 nan 8.190 nan 0.000 0.433 341 Q N 3.230 123.038 119.800 0.013 0.000 2.330 341 Q HA 0.735 5.075 4.340 -0.001 0.000 0.269 341 Q C -1.566 174.568 176.000 0.223 0.000 1.022 341 Q CA -0.643 55.231 55.803 0.119 0.000 0.796 341 Q CB 2.536 31.358 28.738 0.139 0.000 1.271 341 Q HN 0.565 nan 8.270 nan 0.000 0.450 342 V N 2.993 123.003 119.914 0.159 0.000 2.823 342 V HA 0.756 4.876 4.120 -0.001 0.000 0.312 342 V C -0.770 175.353 176.094 0.048 0.000 1.072 342 V CA -0.899 61.368 62.300 -0.055 0.000 0.937 342 V CB 1.397 32.860 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 -0.904 174.683 175.800 -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 1.502 115.900 114.554 -0.259 0.000 2.786 344 T HA 0.275 4.625 4.350 -0.001 0.000 0.283 344 T C -1.159 173.335 174.700 -0.343 0.000 0.992 344 T CA -0.383 61.403 62.100 -0.522 0.000 0.954 344 T CB 0.583 69.020 68.868 -0.718 0.000 0.934 344 T HN 0.824 nan 8.240 nan 0.000 0.440 345 D N 3.598 123.711 120.400 -0.479 0.000 2.441 345 D HA 0.221 4.861 4.640 -0.001 0.000 0.243 345 D C 0.821 176.867 176.300 -0.422 0.000 1.257 345 D CA 0.104 53.901 54.000 -0.339 0.000 1.027 345 D CB 0.117 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 2.294 117.803 115.700 -0.318 0.000 2.503 346 S HA 0.002 4.472 4.470 -0.001 0.000 0.215 346 S C 1.323 175.682 174.600 -0.402 0.000 1.003 346 S CA -0.077 57.885 58.200 -0.397 0.000 0.910 346 S CB 0.210 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 0.457 120.546 120.200 -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 -0.124 29.596 29.700 0.033 0.000 0.916 347 E HN 0.544 nan 8.360 nan 0.000 0.500 348 Y N 0.388 120.706 120.300 0.029 0.000 3.078 348 Y HA -0.302 4.248 4.550 -0.001 0.000 0.202 348 Y C 1.057 176.945 175.900 -0.021 0.000 1.322 348 Y CA 0.324 58.426 58.100 0.003 0.000 1.118 348 Y CB -2.262 36.200 38.460 0.004 0.000 1.343 348 Y HN 0.206 nan 8.280 nan 0.000 0.499 349 Q N -0.248 119.593 119.800 0.069 0.000 2.378 349 Q HA 0.265 4.605 4.340 -0.001 0.000 0.216 349 Q C 0.362 176.244 176.000 -0.196 0.000 0.892 349 Q CA 0.091 55.907 55.803 0.022 0.000 0.931 349 Q CB 0.698 29.525 28.738 0.148 0.000 1.086 349 Q HN 0.510 nan 8.270 nan 0.000 0.528 350 L N 2.411 123.484 121.223 -0.250 0.000 2.312 350 L HA 0.354 4.694 4.340 -0.001 0.000 0.281 350 L C -2.207 174.520 176.870 -0.237 0.000 1.070 350 L CA -2.318 52.246 54.840 -0.461 0.000 0.805 350 L CB 0.888 42.613 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 -1.038 176.320 177.300 0.096 0.000 1.172 351 P CA 0.233 63.337 63.100 0.006 0.000 0.762 351 P CB -0.022 31.717 31.700 0.066 0.000 0.764 352 Y N 3.960 124.270 120.300 0.016 0.000 2.531 352 Y HA 0.114 4.664 4.550 -0.001 0.000 0.347 352 Y C 1.292 177.196 175.900 0.007 0.000 1.024 352 Y CA 0.409 58.521 58.100 0.021 0.000 1.306 352 Y CB 0.449 38.943 38.460 0.055 0.000 1.149 352 Y HN 0.155 nan 8.280 nan 0.000 0.527 353 V N 6.997 126.745 119.914 -0.275 0.000 3.621 353 V HA 0.158 4.277 4.120 -0.001 0.000 0.285 353 V C 0.457 176.361 176.094 -0.316 0.000 1.346 353 V CA 0.220 62.364 62.300 -0.259 0.000 1.104 353 V CB -0.471 31.123 31.823 -0.382 0.000 0.913 353 V HN 0.580 nan 8.190 nan 0.000 0.432 354 L N 0.116 121.031 121.223 -0.512 0.000 2.468 354 L HA 0.569 4.909 4.340 -0.001 0.000 0.254 354 L C 1.459 178.284 176.870 -0.075 0.000 1.171 354 L CA 0.513 55.137 54.840 -0.360 0.000 0.809 354 L CB 0.228 41.973 42.059 -0.524 0.000 1.155 354 L HN 0.305 nan 8.230 nan 0.000 0.473 355 G N 0.506 109.240 108.800 -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 0.383 175.290 174.900 0.013 0.000 1.042 355 G CA 0.373 45.432 45.100 -0.067 0.000 0.791 355 G HN 0.538 nan 8.290 nan 0.000 0.502 356 S N -0.547 115.175 115.700 0.038 0.000 2.855 356 S HA 0.587 5.056 4.470 -0.001 0.000 0.249 356 S C 1.454 175.976 174.600 -0.130 0.000 1.033 356 S CA 1.026 59.238 58.200 0.020 0.000 1.038 356 S CB 0.675 63.966 63.200 0.151 0.000 0.960 356 S HN 2.187 nan 8.310 nan 0.000 0.548 357 A N 1.510 124.290 122.820 -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 0.883 52.880 52.037 -0.068 0.000 0.904 357 A CB -2.279 16.675 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 0.297 4.853 4.556 -0.001 0.000 0.373 358 H C 0.945 176.294 175.328 0.034 0.000 1.226 358 H CA 0.856 56.913 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 -0.871 119.040 119.800 0.186 0.000 2.180 359 Q HA 0.414 4.754 4.340 -0.001 0.000 0.241 359 Q C 0.583 176.645 176.000 0.103 0.000 0.970 359 Q CA -0.292 55.585 55.803 0.123 0.000 0.919 359 Q CB 1.679 30.478 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 0.220 175.097 174.900 -0.040 0.000 1.007 360 G CA -0.371 44.750 45.100 0.035 0.000 0.672 360 G HN 0.607 nan 8.290 nan 0.000 0.507 361 C N 0.264 119.544 119.300 -0.033 0.000 2.827 361 C HA 0.558 5.017 4.460 -0.001 0.000 0.287 361 C C 1.610 176.424 174.990 -0.293 0.000 1.497 361 C CA -0.345 58.616 59.018 -0.095 0.000 2.161 361 C CB -0.327 27.388 27.740 -0.042 0.000 2.120 361 C HN 0.494 nan 8.230 nan 0.000 0.676 362 L N 2.148 123.221 121.223 -0.251 0.000 2.380 362 L HA 0.260 4.599 4.340 -0.001 0.000 0.273 362 L C -2.115 174.720 176.870 -0.057 0.000 1.138 362 L CA -1.239 53.395 54.840 -0.344 0.000 0.832 362 L CB 0.027 41.987 42.059 -0.165 0.000 1.124 362 L HN 0.391 nan 8.230 nan 0.000 0.454 363 P HA 0.037 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 -0.902 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 0.256 177.538 177.300 -0.031 0.000 1.157 364 P CA 1.161 64.325 63.100 0.106 0.000 0.868 364 P CB -0.045 31.591 31.700 -0.106 0.000 0.788 365 F N 0.110 119.864 119.950 -0.326 0.000 2.420 365 F HA 0.246 4.773 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 -2.866 54.890 58.000 -0.406 0.000 1.162 365 F CB 0.789 39.480 39.000 -0.514 0.000 1.118 365 F HN -0.092 nan 8.300 nan 0.000 0.510 366 P HA -0.159 nan 4.420 nan 0.000 0.216 366 P C 1.025 178.293 177.300 -0.054 0.000 1.150 366 P CA 1.930 64.925 63.100 -0.174 0.000 0.837 366 P CB 0.061 31.652 31.700 -0.182 0.000 0.786 367 A N -1.144 121.486 122.820 -0.318 0.000 2.119 367 A HA -0.058 4.262 4.320 -0.001 0.000 0.217 367 A C 0.759 178.449 177.584 0.175 0.000 1.153 367 A CA 0.772 52.799 52.037 -0.017 0.000 0.692 367 A CB -1.011 18.037 19.000 0.081 0.000 0.799 367 A HN 0.111 nan 8.150 nan 0.000 0.458 368 D N -0.418 120.134 120.400 0.253 0.000 2.345 368 D HA 0.416 5.056 4.640 -0.001 0.000 0.247 368 D C -0.207 176.249 176.300 0.260 0.000 1.108 368 D CA 0.163 54.320 54.000 0.262 0.000 0.894 368 D CB 1.394 42.364 40.800 0.283 0.000 1.203 368 D HN -0.015 nan 8.370 nan 0.000 0.430 369 V N 2.510 122.556 119.914 0.220 0.000 2.612 369 V HA 0.560 4.680 4.120 -0.001 0.000 0.301 369 V C -0.130 176.127 176.094 0.271 0.000 1.046 369 V CA -0.744 61.681 62.300 0.208 0.000 0.946 369 V CB 0.954 32.826 31.823 0.082 0.000 1.003 369 V HN 0.446 nan 8.190 nan 0.000 0.459 370 F N 1.928 121.963 119.950 0.142 0.000 2.593 370 F HA 0.787 5.314 4.527 -0.001 0.000 0.320 370 F C -0.529 175.350 175.800 0.132 0.000 1.060 370 F CA -1.330 56.749 58.000 0.133 0.000 0.940 370 F CB 1.989 41.079 39.000 0.149 0.000 1.268 370 F HN 0.475 nan 8.300 nan 0.000 0.475 371 M N 3.552 123.250 119.600 0.164 0.000 2.209 371 M HA 0.507 4.987 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 54.483 55.300 0.054 0.000 1.069 371 M CB 1.460 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 8.276 128.191 119.914 0.001 0.000 2.439 372 V HA 0.192 4.312 4.120 -0.001 0.000 0.271 372 V C -1.995 174.026 176.094 -0.122 0.000 1.040 372 V CA -1.158 61.085 62.300 -0.095 0.000 1.002 372 V CB 0.151 31.765 31.823 -0.347 0.000 1.000 372 V HN 0.762 nan 8.190 nan 0.000 0.477 373 P HA 0.066 nan 4.420 nan 0.000 0.271 373 P C -0.567 176.335 177.300 -0.662 0.000 1.238 373 P CA -0.163 62.651 63.100 -0.476 0.000 0.794 373 P CB 0.482 31.712 31.700 -0.783 0.000 0.959 374 Q N 0.228 119.644 119.800 -0.639 0.000 2.266 374 Q HA 0.286 4.626 4.340 -0.001 0.000 0.261 374 Q C -1.408 174.597 176.000 0.008 0.000 0.985 374 Q CA -0.828 54.551 55.803 -0.707 0.000 0.873 374 Q CB 0.681 28.702 28.738 -1.196 0.000 1.306 374 Q HN 0.361 nan 8.270 nan 0.000 0.447 375 Y N 1.363 121.674 120.300 0.017 0.000 2.336 375 Y HA 0.553 5.103 4.550 -0.001 0.000 0.335 375 Y C -0.290 175.651 175.900 0.069 0.000 1.046 375 Y CA 0.255 58.406 58.100 0.086 0.000 1.198 375 Y CB 1.150 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 5.807 114.307 108.800 -0.501 0.000 2.731 376 G HA2 0.492 4.451 3.960 -0.001 0.000 0.298 376 G HA3 0.492 4.451 3.960 -0.001 0.000 0.298 376 G C -2.243 172.405 174.900 -0.419 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 -0.112 120.004 120.300 -0.306 0.000 2.605 377 Y HA 0.839 5.389 4.550 -0.001 0.000 0.343 377 Y C -0.926 175.000 175.900 0.043 0.000 1.036 377 Y CA -1.636 56.363 58.100 -0.168 0.000 1.065 377 Y CB 1.590 39.993 38.460 -0.096 0.000 1.288 377 Y HN 0.459 nan 8.280 nan 0.000 0.481 378 L N 1.395 122.736 121.223 0.197 0.000 2.304 378 L HA 0.838 5.178 4.340 -0.001 0.000 0.268 378 L C -0.442 176.622 176.870 0.323 0.000 1.010 378 L CA -0.743 54.208 54.840 0.187 0.000 0.813 378 L CB 2.481 44.643 42.059 0.172 0.000 1.315 378 L HN 0.938 nan 8.230 nan 0.000 0.445 379 T N 0.008 114.746 114.554 0.307 0.000 2.812 379 T HA 0.356 4.706 4.350 -0.001 0.000 0.294 379 T C -1.044 173.822 174.700 0.277 0.000 1.159 379 T CA -0.714 61.590 62.100 0.340 0.000 1.008 379 T CB 1.603 70.724 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 0.354 4.693 4.340 -0.001 0.000 0.276 380 L C -0.089 176.864 176.870 0.138 0.000 1.212 380 L CA 0.387 55.325 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 1.698 120.461 118.700 0.105 0.000 2.329 381 N HA 0.336 5.075 4.740 -0.001 0.000 0.282 381 N C -1.272 174.241 175.510 0.005 0.000 1.198 381 N CA -0.802 52.273 53.050 0.043 0.000 0.790 381 N CB 0.952 39.509 38.487 0.117 0.000 1.579 381 N HN 0.422 nan 8.380 nan 0.000 0.475 382 N N 0.833 119.494 118.700 -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 -0.131 0.000 1.253 382 N CA 0.877 53.883 53.050 -0.072 0.000 0.944 382 N CB -0.228 38.212 38.487 -0.078 0.000 1.217 382 N HN 1.024 nan 8.380 nan 0.000 0.498 383 G N 1.836 110.550 108.800 -0.144 0.000 2.527 383 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.262 383 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.262 383 G C 0.827 175.507 174.900 -0.366 0.000 1.153 383 G CA 0.497 45.359 45.100 -0.397 0.000 0.954 383 G HN 0.718 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 4.757 4.470 -0.001 0.000 0.224 384 S C 1.106 175.629 174.600 -0.128 0.000 0.996 384 S CA 1.460 59.582 58.200 -0.130 0.000 0.927 384 S CB 0.164 63.330 63.200 -0.056 0.000 0.774 384 S HN 0.769 nan 8.310 nan 0.000 0.524 385 Q N 0.490 120.169 119.800 -0.202 0.000 2.185 385 Q HA 0.749 5.089 4.340 -0.001 0.000 0.225 385 Q C -0.463 175.291 176.000 -0.411 0.000 0.983 385 Q CA -0.513 55.116 55.803 -0.290 0.000 0.950 385 Q CB 1.328 29.934 28.738 -0.220 0.000 1.176 385 Q HN 0.472 nan 8.270 nan 0.000 0.510 386 A N 0.305 122.766 122.820 -0.598 0.000 2.350 386 A HA 0.694 5.014 4.320 -0.001 0.000 0.318 386 A C -0.789 176.625 177.584 -0.283 0.000 1.132 386 A CA -0.619 51.078 52.037 -0.567 0.000 0.811 386 A CB 1.073 19.414 19.000 -1.097 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 -0.154 0.000 3.109 387 V HA 0.495 4.614 4.120 -0.001 0.000 0.317 387 V C 1.752 177.813 176.094 -0.055 0.000 1.074 387 V CA 0.299 62.551 62.300 -0.080 0.000 1.033 387 V CB 1.315 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 0.321 109.102 108.800 -0.033 0.000 2.471 388 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.219 388 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.219 388 G C 1.262 176.168 174.900 0.011 0.000 1.125 388 G CA 0.164 45.255 45.100 -0.014 0.000 0.775 388 G HN 0.653 nan 8.290 nan 0.000 0.548 389 R N 0.513 121.025 120.500 0.020 0.000 2.310 389 R HA 0.188 4.528 4.340 -0.001 0.000 0.202 389 R C 0.593 176.933 176.300 0.066 0.000 0.933 389 R CA -0.178 55.947 56.100 0.041 0.000 1.054 389 R CB 0.164 30.490 30.300 0.044 0.000 0.985 389 R HN 0.181 nan 8.270 nan 0.000 0.489 390 S N 0.388 116.133 115.700 0.074 0.000 2.589 390 S HA 0.150 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 -0.043 58.238 58.200 0.134 0.000 1.005 390 S CB 1.290 64.595 63.200 0.175 0.000 0.909 390 S HN 0.048 nan 8.310 nan 0.000 0.555 391 S N 1.204 116.981 115.700 0.129 0.000 2.532 391 S HA 0.538 5.007 4.470 -0.001 0.000 0.299 391 S C -1.180 173.323 174.600 -0.162 0.000 1.105 391 S CA -0.575 57.566 58.200 -0.099 0.000 1.018 391 S CB 0.870 63.931 63.200 -0.232 0.000 1.021 391 S HN 0.526 nan 8.310 nan 0.000 0.483 392 F N 3.886 123.572 119.950 -0.440 0.000 2.427 392 F HA 0.619 5.146 4.527 -0.001 0.000 0.346 392 F C -1.536 173.942 175.800 -0.538 0.000 1.120 392 F CA -1.251 56.463 58.000 -0.477 0.000 1.033 392 F CB 0.448 39.188 39.000 -0.433 0.000 1.126 392 F HN 0.548 nan 8.300 nan 0.000 0.462 393 Y N 5.222 125.184 120.300 -0.564 0.000 2.341 393 Y HA 0.457 5.007 4.550 -0.001 0.000 0.338 393 Y C -0.283 175.141 175.900 -0.793 0.000 0.965 393 Y CA -0.954 56.796 58.100 -0.582 0.000 1.108 393 Y CB 1.671 39.875 38.460 -0.427 0.000 1.180 393 Y HN 0.721 nan 8.280 nan 0.000 0.458 394 C N 5.957 124.954 119.300 -0.505 0.000 2.281 394 C HA 0.406 4.866 4.460 -0.001 0.000 0.323 394 C C 0.823 175.823 174.990 0.017 0.000 1.270 394 C CA -0.731 58.004 59.018 -0.473 0.000 1.559 394 C CB -0.975 26.464 27.740 -0.501 0.000 2.239 394 C HN 0.976 nan 8.230 nan 0.000 0.488 395 L N 4.390 125.691 121.223 0.129 0.000 2.622 395 L HA 0.097 4.437 4.340 -0.001 0.000 0.233 395 L C 2.229 179.136 176.870 0.061 0.000 1.156 395 L CA 1.299 56.098 54.840 -0.069 0.000 0.866 395 L CB -0.467 41.178 42.059 -0.690 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 0.316 0.000 2.371 396 E HA -0.133 4.216 4.350 -0.001 0.000 0.194 396 E C 1.345 178.040 176.600 0.159 0.000 1.012 396 E CA 0.515 57.106 56.400 0.319 0.000 0.860 396 E CB -0.088 29.829 29.700 0.362 0.000 0.811 396 E HN 0.548 nan 8.360 nan 0.000 0.502 397 Y N -0.072 120.220 120.300 -0.014 0.000 2.477 397 Y HA 0.080 4.629 4.550 -0.001 0.000 0.303 397 Y C -0.301 175.388 175.900 -0.353 0.000 1.202 397 Y CA -0.136 57.870 58.100 -0.156 0.000 1.282 397 Y CB -0.035 38.305 38.460 -0.199 0.000 1.071 397 Y HN -0.229 nan 8.280 nan 0.000 0.510 398 F N 1.335 121.029 119.950 -0.426 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 -3.116 54.474 58.000 -0.683 0.000 1.022 398 F CB 0.754 38.958 39.000 -1.327 0.000 1.128 398 F HN -0.069 nan 8.300 nan 0.000 0.466 399 P HA 0.123 nan 4.420 nan 0.000 0.262 399 P C -0.975 176.248 177.300 -0.128 0.000 1.199 399 P CA -0.001 62.989 63.100 -0.182 0.000 0.763 399 P CB 0.537 32.157 31.700 -0.134 0.000 0.790 400 S N 1.835 117.524 115.700 -0.019 0.000 2.548 400 S HA 0.397 4.867 4.470 -0.001 0.000 0.286 400 S C -0.811 173.886 174.600 0.162 0.000 1.098 400 S CA -0.992 57.290 58.200 0.137 0.000 0.930 400 S CB 1.682 65.047 63.200 0.274 0.000 1.070 400 S HN 0.431 nan 8.310 nan 0.000 0.480 401 Q N 1.964 121.891 119.800 0.210 0.000 2.279 401 Q HA 0.413 4.752 4.340 -0.001 0.000 0.256 401 Q C -1.003 175.100 176.000 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 0.981 33.627 32.600 0.076 0.000 1.622 402 M HN 0.445 nan 8.290 nan 0.000 0.459 403 L N 2.648 123.934 121.223 0.106 0.000 2.362 403 L HA 0.604 4.944 4.340 -0.001 0.000 0.275 403 L C -0.178 176.746 176.870 0.090 0.000 0.998 403 L CA -0.356 54.553 54.840 0.115 0.000 0.820 403 L CB 1.766 43.917 42.059 0.154 0.000 1.270 403 L HN 0.596 nan 8.230 nan 0.000 0.415 404 R N -0.104 120.443 120.500 0.079 0.000 2.606 404 R HA 0.651 4.990 4.340 -0.001 0.000 0.249 404 R C -0.526 175.816 176.300 0.069 0.000 1.127 404 R CA -0.539 55.597 56.100 0.060 0.000 1.133 404 R CB 1.021 31.348 30.300 0.046 0.000 1.243 404 R HN 0.639 nan 8.270 nan 0.000 0.558 405 T N 0.816 115.400 114.554 0.050 0.000 2.784 405 T HA 0.335 4.685 4.350 -0.001 0.000 0.291 405 T C 0.787 175.522 174.700 0.058 0.000 0.942 405 T CA 0.954 63.084 62.100 0.051 0.000 1.161 405 T CB 0.518 69.401 68.868 0.026 0.000 0.885 405 T HN 0.785 nan 8.240 nan 0.000 0.534 406 G N 3.554 112.401 108.800 0.079 0.000 2.211 406 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.201 406 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.201 406 G C 0.018 174.975 174.900 0.094 0.000 0.997 406 G CA -0.793 44.354 45.100 0.079 0.000 0.652 406 G HN 0.601 nan 8.290 nan 0.000 0.500 407 N N 1.653 120.419 118.700 0.109 0.000 2.508 407 N HA 0.598 5.338 4.740 -0.001 0.000 0.285 407 N C -0.135 175.480 175.510 0.175 0.000 1.144 407 N CA -0.122 53.004 53.050 0.127 0.000 0.978 407 N CB 1.161 39.723 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 0.186 0.000 2.455 408 N HA 0.439 5.178 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 -0.582 52.615 53.050 0.245 0.000 0.780 408 N CB 1.329 39.942 38.487 0.211 0.000 1.520 408 N HN 0.359 nan 8.380 nan 0.000 0.486 409 F N -0.011 120.033 119.950 0.156 0.000 2.520 409 F HA 0.531 5.058 4.527 -0.000 0.000 0.322 409 F C -0.689 175.212 175.800 0.168 0.000 1.103 409 F CA -0.454 57.640 58.000 0.157 0.000 0.926 409 F CB 2.030 41.135 39.000 0.176 0.000 1.154 409 F HN 0.569 nan 8.300 nan 0.000 0.453 410 Q N 5.115 124.547 119.800 -0.613 0.000 2.375 410 Q HA 0.612 4.952 4.340 -0.001 0.000 0.271 410 Q C -2.096 173.676 176.000 -0.381 0.000 1.074 410 Q CA -0.608 54.994 55.803 -0.334 0.000 0.808 410 Q CB 2.164 30.786 28.738 -0.194 0.000 1.327 410 Q HN 0.680 nan 8.270 nan 0.000 0.441 411 F N 1.050 120.869 119.950 -0.218 0.000 2.622 411 F HA 0.599 5.125 4.527 -0.001 0.000 0.318 411 F C -1.527 174.264 175.800 -0.016 0.000 1.135 411 F CA -0.252 57.678 58.000 -0.116 0.000 1.015 411 F CB 1.681 40.684 39.000 0.006 0.000 1.275 411 F HN 0.484 nan 8.300 nan 0.000 0.457 412 S N 5.175 120.368 115.700 -0.846 0.000 2.500 412 S HA 0.560 5.030 4.470 -0.001 0.000 0.301 412 S C -1.893 172.186 174.600 -0.869 0.000 1.092 412 S CA -0.554 57.245 58.200 -0.668 0.000 1.030 412 S CB 1.665 64.642 63.200 -0.372 0.000 1.031 412 S HN 0.622 nan 8.310 nan 0.000 0.483 413 Y N 1.355 121.226 120.300 -0.715 0.000 2.545 413 Y HA 0.638 5.188 4.550 -0.001 0.000 0.348 413 Y C -0.958 174.674 175.900 -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 -0.508 0.000 1.271 413 Y HN 0.522 nan 8.280 nan 0.000 0.467 414 T N 6.318 120.095 114.554 -1.294 0.000 2.864 414 T HA 0.380 4.729 4.350 -0.001 0.000 0.299 414 T C -0.876 173.109 174.700 -1.191 0.000 1.011 414 T CA -0.432 61.097 62.100 -0.953 0.000 0.975 414 T CB -0.089 68.470 68.868 -0.516 0.000 0.962 414 T HN 0.453 nan 8.240 nan 0.000 0.448 415 F N 2.973 122.470 119.950 -0.756 0.000 2.595 415 F HA 0.137 4.663 4.527 -0.001 0.000 0.359 415 F C 1.626 177.237 175.800 -0.315 0.000 1.147 415 F CA -0.198 57.545 58.000 -0.429 0.000 1.341 415 F CB 0.602 39.435 39.000 -0.278 0.000 1.104 415 F HN 0.563 nan 8.300 nan 0.000 0.603 416 E N 0.654 120.864 120.200 0.017 0.000 2.622 416 E HA 0.176 4.525 4.350 -0.001 0.000 0.255 416 E C -1.186 175.395 176.600 -0.031 0.000 1.313 416 E CA -0.981 55.409 56.400 -0.017 0.000 1.011 416 E CB 0.347 30.068 29.700 0.035 0.000 1.173 416 E HN 0.356 nan 8.360 nan 0.000 0.601 417 D N 0.476 120.853 120.400 -0.038 0.000 2.358 417 D HA 0.226 4.866 4.640 -0.001 0.000 0.258 417 D C -1.137 175.134 176.300 -0.049 0.000 1.223 417 D CA 0.122 54.089 54.000 -0.055 0.000 0.886 417 D CB 1.195 41.976 40.800 -0.032 0.000 1.120 417 D HN 0.230 nan 8.370 nan 0.000 0.482 418 V N 4.564 124.418 119.914 -0.099 0.000 2.668 418 V HA 0.397 4.516 4.120 -0.001 0.000 0.304 418 V C -2.560 173.499 176.094 -0.058 0.000 1.071 418 V CA -2.218 60.052 62.300 -0.050 0.000 0.894 418 V CB 2.154 33.960 31.823 -0.028 0.000 1.008 418 V HN 0.342 nan 8.190 nan 0.000 0.425 419 P HA 0.075 nan 4.420 nan 0.000 0.263 419 P C -0.436 176.995 177.300 0.219 0.000 1.175 419 P CA 0.399 63.581 63.100 0.137 0.000 0.761 419 P CB 0.007 31.790 31.700 0.139 0.000 0.794 420 F N 1.344 121.386 119.950 0.154 0.000 2.628 420 F HA -0.016 4.511 4.527 -0.001 0.000 0.362 420 F C 1.751 177.666 175.800 0.191 0.000 1.148 420 F CA 0.656 58.766 58.000 0.184 0.000 1.352 420 F CB -0.092 38.992 39.000 0.139 0.000 1.081 420 F HN 0.430 nan 8.300 nan 0.000 0.605 421 H N 0.644 119.819 119.070 0.176 0.000 2.607 421 H HA 0.260 4.816 4.556 -0.001 0.000 0.367 421 H C -0.384 174.949 175.328 0.008 0.000 1.181 421 H CA -0.558 55.439 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 2.757 117.846 115.700 -1.018 0.000 2.681 422 S HA 0.065 4.535 4.470 -0.001 0.000 0.313 422 S C 0.200 174.381 174.600 -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 2.737 118.374 115.700 -0.104 0.000 2.763 423 S HA 0.202 4.672 4.470 -0.001 0.000 0.237 423 S C -0.066 174.593 174.600 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 62.786 63.200 0.294 0.000 0.780 423 S HN 0.803 nan 8.310 nan 0.000 0.476 424 Y N -1.584 118.597 120.300 -0.198 0.000 2.638 424 Y HA 0.886 5.435 4.550 -0.001 0.000 0.339 424 Y C -0.768 174.915 175.900 -0.361 0.000 1.084 424 Y CA -1.944 55.966 58.100 -0.317 0.000 1.068 424 Y CB 0.780 38.835 38.460 -0.674 0.000 1.294 424 Y HN -0.066 nan 8.280 nan 0.000 0.480 425 A N 1.251 123.938 122.820 -0.223 0.000 2.422 425 A HA 0.524 4.843 4.320 -0.001 0.000 0.302 425 A C -1.542 175.928 177.584 -0.190 0.000 1.041 425 A CA -0.909 50.958 52.037 -0.284 0.000 0.708 425 A CB 0.705 19.616 19.000 -0.149 0.000 1.257 425 A HN 0.862 nan 8.150 nan 0.000 0.414 426 H N 1.986 121.053 119.070 -0.005 0.000 2.803 426 H HA 0.127 4.683 4.556 -0.001 0.000 0.330 426 H C 1.251 176.574 175.328 -0.008 0.000 1.057 426 H CA 0.921 56.970 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 2.028 117.791 115.700 0.103 0.000 2.528 427 S HA 0.027 4.497 4.470 -0.001 0.000 0.219 427 S C 0.677 175.314 174.600 0.062 0.000 0.985 427 S CA -0.092 58.149 58.200 0.069 0.000 0.914 427 S CB 0.559 63.795 63.200 0.060 0.000 0.776 427 S HN 0.571 nan 8.310 nan 0.000 0.526 428 Q N 0.658 120.499 119.800 0.068 0.000 2.252 428 Q HA 0.656 4.996 4.340 -0.001 0.000 0.256 428 Q C -0.856 175.152 176.000 0.014 0.000 1.020 428 Q CA -0.628 55.193 55.803 0.031 0.000 0.913 428 Q CB 1.853 30.598 28.738 0.011 0.000 1.286 428 Q HN 0.305 nan 8.270 nan 0.000 0.480 429 S N -0.467 115.229 115.700 -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 0.893 64.088 63.200 -0.009 0.000 1.107 429 S HN 0.695 nan 8.310 nan 0.000 0.503 430 L N 1.453 122.655 121.223 -0.034 0.000 2.017 430 L HA -0.077 4.263 4.340 -0.001 0.000 0.208 430 L C 2.017 178.899 176.870 0.020 0.000 1.073 430 L CA 1.888 56.725 54.840 -0.006 0.000 0.745 430 L CB -0.342 41.722 42.059 0.007 0.000 0.894 430 L HN 0.826 nan 8.230 nan 0.000 0.432 431 D N -1.170 119.229 120.400 -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 0.382 54.376 54.000 -0.009 0.000 0.868 431 D CB -0.065 40.719 40.800 -0.027 0.000 0.943 431 D HN 0.167 nan 8.370 nan 0.000 0.514 432 R N 0.980 121.474 120.500 -0.009 0.000 3.863 432 R HA 0.229 4.569 4.340 -0.001 0.000 0.304 432 R C 0.729 177.028 176.300 -0.001 0.000 1.485 432 R CA -0.257 55.838 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 0.412 121.638 121.223 0.006 0.000 2.575 433 L HA 0.197 4.537 4.340 -0.001 0.000 0.228 433 L C 0.439 177.318 176.870 0.015 0.000 1.075 433 L CA 0.759 55.609 54.840 0.016 0.000 0.867 433 L CB 0.157 42.242 42.059 0.044 0.000 1.097 433 L HN 0.158 nan 8.230 nan 0.000 0.485 434 M N -0.716 118.885 119.600 0.002 0.000 1.801 434 M HA 0.215 4.695 4.480 -0.001 0.000 0.198 434 M C 0.444 176.739 176.300 -0.010 0.000 1.248 434 M CA -0.054 55.241 55.300 -0.009 0.000 0.893 434 M CB -0.816 31.765 32.600 -0.032 0.000 1.199 434 M HN -0.135 nan 8.290 nan 0.000 0.482 435 N N 0.475 119.165 118.700 -0.017 0.000 2.422 435 N HA 0.348 5.087 4.740 -0.001 0.000 0.266 435 N C -2.213 173.287 175.510 -0.015 0.000 1.007 435 N CA -1.680 51.363 53.050 -0.012 0.000 0.941 435 N CB 1.054 39.536 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 0.901 178.195 177.300 -0.009 0.000 1.148 436 P CA 0.642 63.736 63.100 -0.010 0.000 0.779 436 P CB 0.552 32.249 31.700 -0.006 0.000 0.780 437 L N -2.040 119.178 121.223 -0.007 0.000 2.316 437 L HA 0.127 4.466 4.340 -0.001 0.000 0.207 437 L C 1.083 177.950 176.870 -0.004 0.000 1.070 437 L CA 0.756 55.593 54.840 -0.005 0.000 0.820 437 L CB -0.420 41.638 42.059 -0.002 0.000 0.992 437 L HN -0.139 nan 8.230 nan 0.000 0.466 438 I N -0.412 120.154 120.570 -0.007 0.000 2.577 438 I HA 0.282 4.452 4.170 -0.001 0.000 0.305 438 I C -0.512 175.593 176.117 -0.020 0.000 0.986 438 I CA -0.833 60.463 61.300 -0.006 0.000 1.189 438 I CB 1.010 39.010 38.000 0.001 0.000 1.355 438 I HN -0.020 nan 8.210 nan 0.000 0.476 439 D N 2.944 123.333 120.400 -0.018 0.000 2.253 439 D HA 0.359 4.999 4.640 -0.001 0.000 0.249 439 D C 0.060 176.319 176.300 -0.068 0.000 1.049 439 D CA -0.403 53.574 54.000 -0.039 0.000 0.929 439 D CB 0.770 41.553 40.800 -0.030 0.000 1.176 439 D HN 0.338 nan 8.370 nan 0.000 0.437 440 Q N 0.249 119.977 119.800 -0.120 0.000 2.417 440 Q HA 0.137 4.477 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 -0.237 55.431 55.803 -0.225 0.000 0.901 440 Q CB 0.637 29.226 28.738 -0.248 0.000 1.259 440 Q HN 0.676 nan 8.270 nan 0.000 0.489 441 Y N -0.846 119.420 120.300 -0.057 0.000 2.457 441 Y HA 0.367 4.917 4.550 -0.001 0.000 0.263 441 Y C -0.061 175.820 175.900 -0.031 0.000 1.164 441 Y CA -0.494 57.580 58.100 -0.043 0.000 1.274 441 Y CB 0.296 38.762 38.460 0.010 0.000 1.097 441 Y HN 0.248 nan 8.280 nan 0.000 0.523 442 L N 0.907 122.097 121.223 -0.056 0.000 2.399 442 L HA 0.370 4.710 4.340 -0.001 0.000 0.265 442 L C -1.021 175.828 176.870 -0.035 0.000 1.089 442 L CA -0.944 53.934 54.840 0.063 0.000 0.802 442 L CB 0.935 42.984 42.059 -0.016 0.000 1.180 442 L HN 0.095 nan 8.230 nan 0.000 0.454 443 Y N 0.505 120.866 120.300 0.101 0.000 2.429 443 Y HA 0.461 5.010 4.550 -0.001 0.000 0.342 443 Y C -0.412 175.595 175.900 0.178 0.000 1.004 443 Y CA -0.573 57.583 58.100 0.093 0.000 1.075 443 Y CB 1.790 40.238 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 5.284 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 -1.752 56.482 58.100 0.223 0.000 1.065 444 Y CB 1.163 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 2.888 124.319 121.223 0.347 0.000 2.276 445 L HA 0.404 4.743 4.340 -0.001 0.000 0.286 445 L C 0.008 176.930 176.870 0.086 0.000 1.061 445 L CA -0.165 54.741 54.840 0.109 0.000 0.807 445 L CB 0.881 42.977 42.059 0.063 0.000 1.177 445 L HN 1.070 nan 8.230 nan 0.000 0.429 446 N N 2.188 120.856 118.700 -0.054 0.000 2.145 446 N HA 0.173 4.913 4.740 -0.001 0.000 0.219 446 N C -0.487 175.008 175.510 -0.025 0.000 1.266 446 N CA -0.648 52.431 53.050 0.048 0.000 0.902 446 N CB 0.641 39.203 38.487 0.123 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 4.603 4.340 -0.001 0.000 0.300 447 R C -0.003 176.208 176.300 -0.148 0.000 0.984 447 R CA -0.311 55.725 56.100 -0.107 0.000 0.882 447 R CB 1.481 31.719 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 62.527 62.100 -0.096 0.000 1.107 448 T CB 0.405 69.237 68.868 -0.060 0.000 0.932 448 T HN 0.587 nan 8.240 nan 0.000 0.474 449 Q N 0.970 120.734 119.800 -0.059 0.000 2.534 449 Q HA 0.371 4.711 4.340 -0.001 0.000 0.207 449 Q C 1.598 177.573 176.000 -0.041 0.000 0.735 449 Q CA -0.013 55.763 55.803 -0.045 0.000 0.904 449 Q CB -0.567 28.152 28.738 -0.032 0.000 1.294 449 Q HN 0.294 nan 8.270 nan 0.000 0.553 450 G N 2.263 111.042 108.800 -0.036 0.000 2.198 450 G HA2 0.196 4.155 3.960 -0.001 0.000 0.280 450 G HA3 0.196 4.155 3.960 -0.001 0.000 0.280 450 G C -0.309 174.572 174.900 -0.032 0.000 0.954 450 G CA 0.768 45.851 45.100 -0.029 0.000 1.281 450 G HN 0.363 nan 8.290 nan 0.000 0.373 451 T N 0.950 115.487 114.554 -0.028 0.000 2.849 451 T HA 0.308 4.657 4.350 -0.001 0.000 0.272 451 T C 1.025 175.713 174.700 -0.019 0.000 1.046 451 T CA -0.526 61.558 62.100 -0.027 0.000 0.983 451 T CB 0.544 69.395 68.868 -0.027 0.000 1.721 451 T HN 0.164 nan 8.240 nan 0.000 0.594 452 T N 2.731 117.276 114.554 -0.016 0.000 4.216 452 T HA 0.105 4.454 4.350 -0.001 0.000 0.221 452 T C 0.456 175.150 174.700 -0.011 0.000 0.939 452 T CA 0.131 62.225 62.100 -0.011 0.000 1.218 452 T CB -0.790 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 1.952 117.646 115.700 -0.011 0.000 2.429 453 S HA 0.484 4.953 4.470 -0.001 0.000 0.292 453 S C 1.146 175.741 174.600 -0.008 0.000 1.183 453 S CA 0.173 58.367 58.200 -0.010 0.000 1.088 453 S CB -0.126 63.068 63.200 -0.011 0.000 1.018 453 S HN 0.843 nan 8.310 nan 0.000 0.511 454 G N 3.576 112.372 108.800 -0.008 0.000 4.170 454 G HA2 0.161 4.121 3.960 -0.001 0.000 0.143 454 G HA3 0.161 4.121 3.960 -0.001 0.000 0.143 454 G C -0.295 174.601 174.900 -0.006 0.000 1.261 454 G CA -0.220 44.876 45.100 -0.006 0.000 1.043 454 G HN 0.582 nan 8.290 nan 0.000 0.382 455 T N 2.282 116.833 114.554 -0.006 0.000 2.794 455 T HA 0.498 4.847 4.350 -0.001 0.000 0.280 455 T C 0.346 175.042 174.700 -0.007 0.000 0.987 455 T CA 0.610 62.706 62.100 -0.006 0.000 0.993 455 T CB 1.348 70.213 68.868 -0.005 0.000 0.939 455 T HN 0.607 nan 8.240 nan 0.000 0.449 456 T N 3.652 118.202 114.554 -0.007 0.000 3.760 456 T HA -0.171 4.179 4.350 -0.001 0.000 0.366 456 T C 0.147 174.842 174.700 -0.009 0.000 0.761 456 T CA 0.548 62.643 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 1.618 120.312 118.700 -0.010 0.000 2.841 457 N HA 0.117 4.857 4.740 -0.001 0.000 0.257 457 N C 1.412 176.913 175.510 -0.015 0.000 1.396 457 N CA -0.503 52.539 53.050 -0.013 0.000 0.823 457 N CB 1.293 39.771 38.487 -0.014 0.000 1.162 457 N HN 0.530 nan 8.380 nan 0.000 0.503 458 Q N 0.282 120.074 119.800 -0.015 0.000 1.984 458 Q HA 0.031 4.371 4.340 -0.001 0.000 0.196 458 Q C 0.252 176.240 176.000 -0.020 0.000 0.975 458 Q CA 0.921 56.715 55.803 -0.015 0.000 0.827 458 Q CB -0.198 28.532 28.738 -0.013 0.000 0.894 458 Q HN 0.320 nan 8.270 nan 0.000 0.438 459 S N -0.842 114.845 115.700 -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 -1.039 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 1.068 121.536 120.500 -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 -0.750 55.310 56.100 -0.066 0.000 0.942 460 R CB 1.055 31.322 30.300 -0.055 0.000 1.251 460 R HN 0.806 nan 8.270 nan 0.000 0.450 461 L N 5.686 126.827 121.223 -0.137 0.000 2.325 461 L HA 0.393 4.733 4.340 -0.001 0.000 0.284 461 L C -0.468 176.141 176.870 -0.434 0.000 1.089 461 L CA -0.227 54.443 54.840 -0.284 0.000 0.836 461 L CB 0.592 42.529 42.059 -0.203 0.000 1.184 461 L HN 0.376 nan 8.230 nan 0.000 0.444 462 L N 4.126 125.013 121.223 -0.560 0.000 2.385 462 L HA 0.573 4.913 4.340 -0.001 0.000 0.273 462 L C -0.829 175.667 176.870 -0.624 0.000 0.990 462 L CA -0.420 54.145 54.840 -0.457 0.000 0.821 462 L CB 1.915 43.850 42.059 -0.207 0.000 1.279 462 L HN 0.336 nan 8.230 nan 0.000 0.412 463 F N 0.277 120.183 119.950 -0.073 0.000 2.522 463 F HA 0.582 5.109 4.527 -0.001 0.000 0.324 463 F C 0.381 176.124 175.800 -0.095 0.000 1.077 463 F CA -0.585 57.355 58.000 -0.101 0.000 0.944 463 F CB 2.197 41.165 39.000 -0.054 0.000 1.175 463 F HN 0.261 nan 8.300 nan 0.000 0.468 464 S N 0.668 116.275 115.700 -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 2.120 121.754 119.800 -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 -0.711 54.719 55.803 -0.622 0.000 0.919 465 Q CB 0.774 29.081 28.738 -0.719 0.000 1.185 465 Q HN 0.782 nan 8.270 nan 0.000 0.408 466 A N 3.398 126.256 122.820 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 0.775 52.892 52.037 0.134 0.000 0.755 466 A CB 0.092 19.086 19.000 -0.011 0.000 0.980 466 A HN 0.887 nan 8.150 nan 0.000 0.506 467 G N 1.089 109.899 108.800 0.017 0.000 2.818 467 G HA2 0.597 4.557 3.960 -0.001 0.000 0.286 467 G HA3 0.597 4.557 3.960 -0.001 0.000 0.286 467 G C -2.402 172.487 174.900 -0.018 0.000 1.364 467 G CA -1.026 44.069 45.100 -0.007 0.000 0.938 467 G HN 0.303 nan 8.290 nan 0.000 0.490 468 P HA -0.054 nan 4.420 nan 0.000 0.222 468 P C 1.513 178.805 177.300 -0.013 0.000 1.147 468 P CA 1.066 64.155 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 -0.335 119.464 119.800 -0.003 0.000 2.096 469 Q HA -0.017 4.323 4.340 -0.001 0.000 0.197 469 Q C 1.081 177.083 176.000 0.002 0.000 0.964 469 Q CA 1.325 57.130 55.803 0.005 0.000 0.838 469 Q CB -0.470 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 -0.022 115.682 115.700 0.006 0.000 3.983 470 S HA 0.218 4.687 4.470 -0.001 0.000 0.194 470 S C 0.838 175.386 174.600 -0.088 0.000 1.464 470 S CA -0.313 57.874 58.200 -0.022 0.000 1.021 470 S CB 0.147 63.366 63.200 0.032 0.000 1.424 470 S HN 0.221 nan 8.310 nan 0.000 0.473 471 M N 2.341 121.901 119.600 -0.065 0.000 2.156 471 M HA -0.060 4.419 4.480 -0.001 0.000 0.264 471 M C 1.820 178.064 176.300 -0.093 0.000 1.067 471 M CA 1.566 56.824 55.300 -0.071 0.000 1.131 471 M CB -0.062 32.511 32.600 -0.044 0.000 1.368 471 M HN 0.676 nan 8.290 nan 0.000 0.416 472 S N -0.732 114.912 115.700 -0.092 0.000 2.679 472 S HA 0.210 4.679 4.470 -0.001 0.000 0.233 472 S C 0.888 175.400 174.600 -0.146 0.000 0.951 472 S CA -0.295 57.846 58.200 -0.099 0.000 0.973 472 S CB -0.387 62.771 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 4.650 4.340 -0.001 0.000 0.264 473 L C 0.655 177.224 176.870 -0.502 0.000 1.154 473 L CA -0.234 54.370 54.840 -0.393 0.000 0.972 473 L CB 0.172 41.900 42.059 -0.551 0.000 1.373 473 L HN 0.254 nan 8.230 nan 0.000 0.564 474 Q N 1.195 120.794 119.800 -0.335 0.000 2.432 474 Q HA 0.336 4.675 4.340 -0.001 0.000 0.264 474 Q C 0.507 176.391 176.000 -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 1.922 124.652 122.820 -0.151 0.000 2.520 475 A HA 0.195 4.515 4.320 -0.001 0.000 0.235 475 A C -0.040 177.474 177.584 -0.117 0.000 1.065 475 A CA 0.260 52.229 52.037 -0.114 0.000 0.764 475 A CB 0.305 19.246 19.000 -0.098 0.000 1.002 475 A HN 0.578 nan 8.150 nan 0.000 0.502 476 R N 0.331 120.765 120.500 -0.111 0.000 2.807 476 R HA 0.449 4.789 4.340 -0.001 0.000 0.276 476 R C 0.227 176.409 176.300 -0.197 0.000 0.979 476 R CA -0.618 55.414 56.100 -0.113 0.000 0.928 476 R CB 1.150 31.408 30.300 -0.069 0.000 1.191 476 R HN 0.735 nan 8.270 nan 0.000 0.471 477 N N 0.229 118.742 118.700 -0.312 0.000 2.250 477 N HA 0.163 4.903 4.740 -0.001 0.000 0.190 477 N C -1.023 173.877 175.510 -1.016 0.000 1.116 477 N CA 0.338 52.934 53.050 -0.756 0.000 0.881 477 N CB 0.457 38.333 38.487 -1.018 0.000 1.006 477 N HN 0.368 nan 8.380 nan 0.000 0.491 478 W N 0.081 121.380 121.300 -0.001 0.000 3.083 478 W HA 0.546 5.205 4.660 -0.001 0.000 0.333 478 W C -0.697 175.833 176.519 0.019 0.000 1.217 478 W CA -0.767 56.586 57.345 0.013 0.000 1.170 478 W CB 0.810 30.269 29.460 -0.001 0.000 1.437 478 W HN -0.371 nan 8.180 nan 0.000 0.557 479 L N 2.023 123.429 121.223 0.305 0.000 2.303 479 L HA 0.652 4.991 4.340 -0.001 0.000 0.266 479 L C -2.140 174.855 176.870 0.208 0.000 1.011 479 L CA -2.725 52.237 54.840 0.204 0.000 0.818 479 L CB 0.532 42.711 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 0.275 480 P C -0.116 177.342 177.300 0.264 0.000 1.266 480 P CA -0.373 62.828 63.100 0.168 0.000 0.793 480 P CB 0.441 32.191 31.700 0.083 0.000 1.074 481 G N 0.671 109.632 108.800 0.268 0.000 2.667 481 G HA2 0.308 4.267 3.960 -0.001 0.000 0.250 481 G HA3 0.308 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 -0.934 44.313 45.100 0.246 0.000 0.874 481 G HN 0.363 nan 8.290 nan 0.000 0.561 482 P HA 0.208 nan 4.420 nan 0.000 0.273 482 P C 0.107 177.334 177.300 -0.123 0.000 1.258 482 P CA -0.028 62.944 63.100 -0.213 0.000 0.802 482 P CB 0.597 32.060 31.700 -0.395 0.000 1.040 483 C N -1.866 117.341 119.300 -0.154 0.000 3.285 483 C HA 0.706 5.166 4.460 -0.001 0.000 0.325 483 C C -1.717 173.298 174.990 0.041 0.000 1.304 483 C CA -0.722 58.276 59.018 -0.033 0.000 1.319 483 C CB 0.698 28.460 27.740 0.037 0.000 1.640 483 C HN 0.604 nan 8.230 nan 0.000 0.477 484 Y N 1.713 121.970 120.300 -0.070 0.000 2.379 484 Y HA 0.491 5.041 4.550 -0.001 0.000 0.342 484 Y C 0.339 176.225 175.900 -0.023 0.000 1.126 484 Y CA -0.327 57.740 58.100 -0.054 0.000 1.310 484 Y CB 0.511 38.946 38.460 -0.042 0.000 1.115 484 Y HN 1.055 nan 8.280 nan 0.000 0.505 485 R N 3.693 124.076 120.500 -0.195 0.000 2.500 485 R HA 0.017 4.357 4.340 -0.001 0.000 0.281 485 R C -0.476 175.746 176.300 -0.130 0.000 0.953 485 R CA 0.808 56.825 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 2.317 122.074 119.800 -0.070 0.000 2.297 486 Q HA 0.141 4.480 4.340 -0.001 0.000 0.268 486 Q C -0.829 175.109 176.000 -0.104 0.000 1.045 486 Q CA -0.940 54.810 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 1.232 120.965 119.800 -0.111 0.000 2.327 487 Q HA 0.138 4.478 4.340 -0.001 0.000 0.254 487 Q C -0.758 175.180 176.000 -0.103 0.000 0.952 487 Q CA 0.151 55.904 55.803 -0.083 0.000 0.884 487 Q CB 0.750 29.485 28.738 -0.005 0.000 1.224 487 Q HN 0.386 nan 8.270 nan 0.000 0.422 488 R N 3.131 123.572 120.500 -0.098 0.000 2.308 488 R HA 0.418 4.758 4.340 -0.001 0.000 0.305 488 R C -1.216 175.045 176.300 -0.066 0.000 1.053 488 R CA -0.383 55.655 56.100 -0.103 0.000 0.957 488 R CB 0.294 30.511 30.300 -0.139 0.000 1.022 488 R HN 0.531 nan 8.270 nan 0.000 0.461 489 L N 2.083 123.187 121.223 -0.199 0.000 2.354 489 L HA 0.428 4.768 4.340 -0.001 0.000 0.269 489 L C -0.236 176.600 176.870 -0.058 0.000 1.005 489 L CA -0.171 54.534 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 0.235 115.998 115.700 0.105 0.000 2.549 490 S HA 0.435 4.904 4.470 -0.001 0.000 0.297 490 S C 0.771 175.454 174.600 0.137 0.000 1.115 490 S CA -0.578 57.638 58.200 0.026 0.000 1.059 490 S CB 1.040 64.211 63.200 -0.049 0.000 1.046 490 S HN 0.644 nan 8.310 nan 0.000 0.506 491 K N 1.322 121.777 120.400 0.092 0.000 2.288 491 K HA 0.026 4.346 4.320 -0.001 0.000 0.201 491 K C 0.225 176.835 176.600 0.017 0.000 1.048 491 K CA 0.693 57.035 56.287 0.091 0.000 0.956 491 K CB -0.225 32.274 32.500 -0.002 0.000 0.746 491 K HN 0.496 nan 8.250 nan 0.000 0.461 492 T N 1.869 116.404 114.554 -0.032 0.000 2.738 492 T HA 0.180 4.529 4.350 -0.001 0.000 0.293 492 T C 0.596 175.307 174.700 0.018 0.000 0.913 492 T CA -0.289 61.798 62.100 -0.022 0.000 1.103 492 T CB 1.236 70.074 68.868 -0.050 0.000 0.880 492 T HN 0.146 nan 8.240 nan 0.000 0.526 493 A N 3.890 126.725 122.820 0.025 0.000 2.223 493 A HA 0.046 4.366 4.320 -0.001 0.000 0.222 493 A C 1.612 179.222 177.584 0.043 0.000 1.317 493 A CA 0.099 52.161 52.037 0.041 0.000 0.985 493 A CB -0.672 18.346 19.000 0.030 0.000 0.858 493 A HN 0.948 nan 8.150 nan 0.000 0.496 494 N N -2.654 116.071 118.700 0.043 0.000 2.067 494 N HA -0.029 4.711 4.740 -0.001 0.000 0.227 494 N C -0.330 175.214 175.510 0.057 0.000 1.348 494 N CA 0.250 53.327 53.050 0.045 0.000 0.879 494 N CB 0.099 38.604 38.487 0.030 0.000 1.109 494 N HN 0.113 nan 8.380 nan 0.000 0.501 495 D N 1.025 121.466 120.400 0.068 0.000 2.277 495 D HA 0.068 4.708 4.640 -0.001 0.000 0.208 495 D C 0.182 176.551 176.300 0.115 0.000 0.962 495 D CA 0.673 54.732 54.000 0.099 0.000 0.865 495 D CB 0.015 40.894 40.800 0.133 0.000 0.939 495 D HN 0.268 nan 8.370 nan 0.000 0.510 496 N N 1.110 119.883 118.700 0.121 0.000 2.445 496 N HA 0.013 4.753 4.740 -0.001 0.000 0.264 496 N C 0.061 175.644 175.510 0.123 0.000 1.227 496 N CA -0.275 52.865 53.050 0.151 0.000 0.963 496 N CB 0.394 39.010 38.487 0.214 0.000 1.188 496 N HN 0.027 nan 8.380 nan 0.000 0.491 497 N N 0.858 119.627 118.700 0.116 0.000 2.513 497 N HA -0.088 4.652 4.740 -0.001 0.000 0.268 497 N C -0.258 175.340 175.510 0.148 0.000 1.180 497 N CA 0.235 53.325 53.050 0.066 0.000 0.948 497 N CB 0.085 38.525 38.487 -0.079 0.000 1.083 497 N HN 0.450 nan 8.380 nan 0.000 0.455 498 N N 1.876 120.632 118.700 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 0.095 0.000 1.208 498 N CB -0.123 38.399 38.487 0.058 0.000 1.471 498 N HN 0.493 nan 8.380 nan 0.000 0.548 499 S N 0.313 116.125 115.700 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 1.429 64.734 63.200 0.174 0.000 1.112 499 S HN 0.245 nan 8.310 nan 0.000 0.466 500 N N 1.339 120.152 118.700 0.187 0.000 2.439 500 N HA 0.430 5.170 4.740 -0.001 0.000 0.243 500 N C -0.397 175.210 175.510 0.161 0.000 1.088 500 N CA -0.846 52.259 53.050 0.091 0.000 0.940 500 N CB -0.314 38.200 38.487 0.044 0.000 1.180 500 N HN 0.677 nan 8.380 nan 0.000 0.505 501 F N 1.795 121.784 119.950 0.066 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 -1.599 56.444 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 0.618 178.064 177.300 0.244 0.000 1.241 502 P CA 1.006 64.110 63.100 0.007 0.000 0.781 502 P CB -0.093 31.586 31.700 -0.035 0.000 1.088 503 W N -0.520 120.806 121.300 0.042 0.000 3.900 503 W HA 0.027 4.687 4.660 -0.001 0.000 0.186 503 W C 0.508 177.066 176.519 0.066 0.000 1.082 503 W CA 0.665 58.035 57.345 0.042 0.000 1.537 503 W CB 0.016 29.481 29.460 0.008 0.000 0.639 503 W HN -0.108 nan 8.180 nan 0.000 0.912 504 T N -0.679 113.938 114.554 0.106 0.000 3.100 504 T HA 0.345 4.695 4.350 -0.001 0.000 0.253 504 T C 1.166 175.865 174.700 -0.001 0.000 1.118 504 T CA 0.956 63.058 62.100 0.003 0.000 1.058 504 T CB 0.362 69.302 68.868 0.120 0.000 0.953 504 T HN 0.085 nan 8.240 nan 0.000 0.515 505 A N 0.203 123.071 122.820 0.080 0.000 2.600 505 A HA 0.831 5.151 4.320 -0.001 0.000 0.252 505 A C 0.993 178.624 177.584 0.079 0.000 1.200 505 A CA -0.024 52.062 52.037 0.080 0.000 0.981 505 A CB 0.148 19.238 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 51.929 52.037 0.124 0.000 0.816 506 A CB 0.252 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 1.390 117.168 115.700 0.130 0.000 2.510 507 S HA 0.381 4.850 4.470 -0.001 0.000 0.279 507 S C -0.009 174.716 174.600 0.208 0.000 1.284 507 S CA -0.161 58.132 58.200 0.156 0.000 1.059 507 S CB -0.001 63.321 63.200 0.203 0.000 0.901 507 S HN 0.635 nan 8.310 nan 0.000 0.491 508 K N 1.667 122.148 120.400 0.135 0.000 2.509 508 K HA 0.598 4.918 4.320 -0.001 0.000 0.266 508 K C -1.352 175.325 176.600 0.128 0.000 0.987 508 K CA -1.067 55.234 56.287 0.024 0.000 0.868 508 K CB 1.344 33.698 32.500 -0.244 0.000 1.421 508 K HN 0.563 nan 8.250 nan 0.000 0.444 509 Y N -1.521 118.810 120.300 0.053 0.000 2.630 509 Y HA 0.620 5.170 4.550 -0.001 0.000 0.337 509 Y C -0.689 175.286 175.900 0.125 0.000 1.051 509 Y CA -1.022 57.117 58.100 0.065 0.000 1.121 509 Y CB 1.533 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 1.732 120.943 119.070 0.234 0.000 2.865 510 H HA 0.627 5.183 4.556 -0.001 0.000 0.362 510 H C -2.394 173.063 175.328 0.216 0.000 1.114 510 H CA -1.181 54.949 56.048 0.137 0.000 1.208 510 H CB 1.616 31.414 29.762 0.059 0.000 1.727 510 H HN 0.885 nan 8.280 nan 0.000 0.534 511 L N 3.498 124.764 121.223 0.072 0.000 2.385 511 L HA 0.236 4.576 4.340 -0.001 0.000 0.273 511 L C 0.545 177.465 176.870 0.085 0.000 0.990 511 L CA -0.850 53.990 54.840 -0.001 0.000 0.821 511 L CB 1.547 43.672 42.059 0.112 0.000 1.279 511 L HN 0.839 nan 8.230 nan 0.000 0.412 512 N N 2.373 121.106 118.700 0.056 0.000 2.741 512 N HA -0.185 4.554 4.740 -0.001 0.000 0.250 512 N C 0.697 176.306 175.510 0.166 0.000 1.115 512 N CA 1.331 54.442 53.050 0.101 0.000 0.724 512 N CB -0.614 37.928 38.487 0.091 0.000 1.090 512 N HN 1.123 nan 8.380 nan 0.000 0.558 513 G N -0.358 108.628 108.800 0.310 0.000 2.176 513 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.252 513 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.252 513 G C -0.145 174.901 174.900 0.244 0.000 1.024 513 G CA 0.525 45.816 45.100 0.319 0.000 0.755 513 G HN 0.722 nan 8.290 nan 0.000 0.507 514 R N 0.495 121.166 120.500 0.284 0.000 2.451 514 R HA 0.370 4.710 4.340 -0.001 0.000 0.307 514 R C -1.137 175.277 176.300 0.190 0.000 0.965 514 R CA -0.841 55.379 56.100 0.201 0.000 0.865 514 R CB 0.764 31.165 30.300 0.169 0.000 1.174 514 R HN 0.088 nan 8.270 nan 0.000 0.455 515 D N 1.752 122.253 120.400 0.168 0.000 2.425 515 D HA 0.134 4.774 4.640 -0.001 0.000 0.247 515 D C -0.710 175.619 176.300 0.048 0.000 1.147 515 D CA 0.806 54.868 54.000 0.104 0.000 0.879 515 D CB 1.494 42.378 40.800 0.141 0.000 1.179 515 D HN 0.374 nan 8.370 nan 0.000 0.456 516 S N 1.524 117.060 115.700 -0.273 0.000 2.571 516 S HA 0.285 4.754 4.470 -0.001 0.000 0.284 516 S C -0.614 173.706 174.600 -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 3.925 125.067 121.223 -0.134 0.000 2.418 517 L HA 0.337 4.676 4.340 -0.001 0.000 0.274 517 L C -0.358 176.473 176.870 -0.065 0.000 1.135 517 L CA 0.112 54.892 54.840 -0.099 0.000 0.870 517 L CB 0.532 42.573 42.059 -0.030 0.000 1.154 517 L HN 0.522 nan 8.230 nan 0.000 0.462 518 V N 6.895 126.842 119.914 0.055 0.000 2.242 518 V HA 0.025 4.144 4.120 -0.001 0.000 0.242 518 V C 1.238 177.421 176.094 0.148 0.000 1.240 518 V CA 0.024 62.441 62.300 0.195 0.000 1.211 518 V CB -0.691 31.288 31.823 0.260 0.000 1.338 518 V HN 0.918 nan 8.190 nan 0.000 0.499 519 N N 6.357 125.077 118.700 0.033 0.000 2.054 519 N HA 0.010 4.750 4.740 -0.001 0.000 0.193 519 N C -1.813 173.836 175.510 0.233 0.000 1.066 519 N CA 0.796 53.860 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 4.636 113.527 108.800 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 -0.182 177.144 177.300 0.042 0.000 1.205 522 P CA 0.276 63.370 63.100 -0.010 0.000 0.780 522 P CB 0.312 31.971 31.700 -0.067 0.000 0.858 523 A N 3.549 126.397 122.820 0.046 0.000 2.473 523 A HA 0.357 4.677 4.320 -0.001 0.000 0.282 523 A C 0.124 177.762 177.584 0.089 0.000 1.163 523 A CA 0.364 52.460 52.037 0.097 0.000 0.827 523 A CB -0.974 18.112 19.000 0.143 0.000 1.098 523 A HN 0.421 nan 8.150 nan 0.000 0.515 524 M N 2.063 121.720 119.600 0.096 0.000 2.644 524 M HA 0.588 5.067 4.480 -0.001 0.000 0.304 524 M C 0.234 176.588 176.300 0.090 0.000 1.215 524 M CA -0.546 54.807 55.300 0.089 0.000 0.871 524 M CB 2.242 34.891 32.600 0.083 0.000 1.740 524 M HN 0.635 nan 8.290 nan 0.000 0.464 525 A N 0.893 123.755 122.820 0.070 0.000 2.425 525 A HA 0.355 4.675 4.320 -0.001 0.000 0.249 525 A C 0.784 178.413 177.584 0.075 0.000 1.084 525 A CA -0.259 51.809 52.037 0.051 0.000 0.781 525 A CB 0.262 19.265 19.000 0.004 0.000 1.019 525 A HN 0.924 nan 8.150 nan 0.000 0.490 526 S N 0.650 116.415 115.700 0.110 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 0.274 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 0.335 0.000 0.833 526 S HN 0.956 nan 8.310 nan 0.000 0.466 527 H N 0.280 119.418 119.070 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 54.906 56.048 0.116 0.000 1.124 527 H CB 0.948 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 0.990 121.452 120.400 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 0.610 33.131 32.500 0.035 0.000 1.097 528 K HN 0.342 nan 8.250 nan 0.000 0.492 529 D N 1.079 121.511 120.400 0.054 0.000 2.443 529 D HA 0.008 4.648 4.640 -0.001 0.000 0.239 529 D C -0.409 175.963 176.300 0.120 0.000 1.136 529 D CA 0.904 54.953 54.000 0.081 0.000 0.879 529 D CB 0.227 41.053 40.800 0.043 0.000 1.195 529 D HN 0.602 nan 8.370 nan 0.000 0.443 530 D N 1.361 121.842 120.400 0.136 0.000 2.835 530 D HA -0.155 4.484 4.640 -0.001 0.000 0.230 530 D C 0.585 176.970 176.300 0.143 0.000 1.130 530 D CA 0.860 54.930 54.000 0.117 0.000 0.738 530 D CB -0.651 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 4.436 4.350 -0.001 0.000 0.187 531 E C 0.440 177.063 176.600 0.039 0.000 1.267 531 E CA -0.144 56.371 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 0.891 121.004 120.200 -0.145 0.000 2.586 532 E HA -0.257 4.092 4.350 -0.001 0.000 0.259 532 E C 0.262 176.675 176.600 -0.312 0.000 1.107 532 E CA 1.452 57.528 56.400 -0.540 0.000 0.754 532 E CB -1.135 28.457 29.700 -0.179 0.000 1.335 532 E HN 0.391 nan 8.360 nan 0.000 0.411 533 K N -1.820 118.437 120.400 -0.239 0.000 2.574 533 K HA 0.161 4.481 4.320 -0.001 0.000 0.215 533 K C 0.040 176.496 176.600 -0.240 0.000 1.485 533 K CA -0.159 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 0.033 nan 8.250 nan 0.000 0.580 534 F N 3.564 123.540 119.950 0.043 0.000 2.390 534 F HA 0.361 4.887 4.527 -0.001 0.000 0.361 534 F C -0.050 175.832 175.800 0.137 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 0.030 0.000 1.160 534 F HN 0.014 nan 8.300 nan 0.000 0.501 535 F N 3.155 123.199 119.950 0.158 0.000 2.470 535 F HA 0.826 5.353 4.527 -0.001 0.000 0.329 535 F C -3.007 172.863 175.800 0.115 0.000 1.072 535 F CA -3.622 54.452 58.000 0.123 0.000 0.989 535 F CB 0.496 39.534 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 -0.452 176.722 177.300 -0.209 0.000 1.218 536 P CA -0.426 62.614 63.100 -0.100 0.000 0.780 536 P CB 0.737 32.444 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 -0.050 4.430 4.480 -0.001 0.000 0.356 537 M C 0.923 176.891 176.300 -0.554 0.000 1.790 537 M CA 0.720 55.830 55.300 -0.316 0.000 1.231 537 M CB -1.303 31.127 32.600 -0.284 0.000 2.102 537 M HN 0.559 nan 8.290 nan 0.000 0.463 538 H N 1.165 120.340 119.070 0.174 0.000 2.690 538 H HA -0.188 4.368 4.556 -0.001 0.000 0.309 538 H C 0.427 175.837 175.328 0.137 0.000 1.138 538 H CA 0.472 56.613 56.048 0.156 0.000 1.142 538 H CB -2.193 27.634 29.762 0.109 0.000 1.410 538 H HN 0.916 nan 8.280 nan 0.000 0.409 539 G N 0.916 109.781 108.800 0.109 0.000 3.262 539 G HA2 0.107 4.066 3.960 -0.001 0.000 0.228 539 G HA3 0.107 4.066 3.960 -0.001 0.000 0.228 539 G C 0.357 175.354 174.900 0.162 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 -1.197 117.601 118.700 0.164 0.000 3.322 540 N HA 0.112 4.852 4.740 -0.001 0.000 0.233 540 N C -1.729 173.798 175.510 0.027 0.000 1.399 540 N CA -0.843 52.276 53.050 0.115 0.000 0.894 540 N CB 0.828 39.389 38.487 0.123 0.000 1.440 540 N HN -0.188 nan 8.380 nan 0.000 0.503 541 L N 0.799 121.986 121.223 -0.061 0.000 2.367 541 L HA 0.442 4.781 4.340 -0.001 0.000 0.275 541 L C 0.060 176.663 176.870 -0.444 0.000 1.129 541 L CA 0.133 54.813 54.840 -0.267 0.000 0.839 541 L CB 0.143 41.998 42.059 -0.339 0.000 1.133 541 L HN 0.473 nan 8.230 nan 0.000 0.453 542 I N 3.744 124.046 120.570 -0.447 0.000 2.389 542 I HA 0.343 4.513 4.170 -0.001 0.000 0.288 542 I C -0.663 175.188 176.117 -0.444 0.000 0.999 542 I CA -0.408 60.671 61.300 -0.368 0.000 1.129 542 I CB 1.012 38.900 38.000 -0.187 0.000 1.288 542 I HN 0.308 nan 8.210 nan 0.000 0.444 543 F N 3.086 122.992 119.950 -0.074 0.000 2.422 543 F HA 0.579 5.106 4.527 -0.001 0.000 0.333 543 F C 1.070 176.838 175.800 -0.054 0.000 1.095 543 F CA -0.642 57.327 58.000 -0.052 0.000 1.038 543 F CB 1.654 40.625 39.000 -0.049 0.000 1.156 543 F HN 0.420 nan 8.300 nan 0.000 0.483 544 G N 2.740 111.629 108.800 0.148 0.000 2.353 544 G HA2 0.338 4.297 3.960 -0.001 0.000 0.284 544 G HA3 0.338 4.297 3.960 -0.001 0.000 0.284 544 G C -0.564 174.361 174.900 0.043 0.000 1.172 544 G CA -0.744 44.392 45.100 0.060 0.000 0.854 544 G HN 0.545 nan 8.290 nan 0.000 0.485 545 K N 0.788 121.189 120.400 0.001 0.000 2.286 545 K HA 0.063 4.383 4.320 -0.001 0.000 0.256 545 K C 0.314 176.893 176.600 -0.034 0.000 0.999 545 K CA -0.177 56.089 56.287 -0.035 0.000 0.908 545 K CB 0.651 33.118 32.500 -0.054 0.000 0.981 545 K HN 0.517 nan 8.250 nan 0.000 0.500 546 E N 0.343 120.506 120.200 -0.061 0.000 2.415 546 E HA 0.082 4.432 4.350 -0.001 0.000 0.263 546 E C -0.187 176.390 176.600 -0.038 0.000 0.995 546 E CA 1.086 57.457 56.400 -0.048 0.000 0.915 546 E CB 0.309 29.964 29.700 -0.075 0.000 0.951 546 E HN 0.636 nan 8.360 nan 0.000 0.449 547 G N 3.568 112.356 108.800 -0.019 0.000 2.540 547 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.260 547 G HA3 -0.171 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 0.255 45.345 45.100 -0.017 0.000 1.327 547 G HN 0.612 nan 8.290 nan 0.000 0.485 548 T N 1.206 115.753 114.554 -0.012 0.000 3.705 548 T HA 0.433 4.782 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 2.383 116.931 114.554 -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 1.958 124.771 122.820 -0.011 0.000 2.206 550 A HA 0.232 4.552 4.320 -0.001 0.000 0.211 550 A C 1.395 178.966 177.584 -0.022 0.000 1.158 550 A CA 0.235 52.263 52.037 -0.014 0.000 0.761 550 A CB 0.186 19.179 19.000 -0.012 0.000 0.801 550 A HN 0.563 nan 8.150 nan 0.000 0.473 551 S N 0.357 116.044 115.700 -0.022 0.000 2.498 551 S HA 0.410 4.880 4.470 -0.001 0.000 0.324 551 S C -0.445 174.140 174.600 -0.025 0.000 1.071 551 S CA -0.672 57.513 58.200 -0.026 0.000 1.113 551 S CB -0.435 62.750 63.200 -0.026 0.000 0.976 551 S HN 0.557 nan 8.310 nan 0.000 0.462 552 N N 2.242 120.926 118.700 -0.027 0.000 2.607 552 N HA -0.201 4.539 4.740 -0.001 0.000 0.285 552 N C -0.334 175.163 175.510 -0.022 0.000 1.151 552 N CA 0.536 53.572 53.050 -0.024 0.000 0.749 552 N CB -0.539 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 0.791 123.597 122.820 -0.022 0.000 2.252 553 A HA 0.579 4.899 4.320 -0.001 0.000 0.305 553 A C 0.465 178.035 177.584 -0.024 0.000 1.097 553 A CA -0.392 51.632 52.037 -0.022 0.000 0.849 553 A CB 0.770 19.756 19.000 -0.023 0.000 1.142 553 A HN 0.463 nan 8.150 nan 0.000 0.499 554 E N -0.714 119.471 120.200 -0.025 0.000 2.374 554 E HA 0.245 4.594 4.350 -0.001 0.000 0.260 554 E C 0.842 177.421 176.600 -0.034 0.000 1.101 554 E CA -0.268 56.116 56.400 -0.026 0.000 0.907 554 E CB 0.700 30.385 29.700 -0.025 0.000 1.014 554 E HN 0.513 nan 8.360 nan 0.000 0.427 555 L N 2.073 123.275 121.223 -0.034 0.000 2.191 555 L HA -0.066 4.274 4.340 -0.001 0.000 0.212 555 L C 0.686 177.520 176.870 -0.060 0.000 1.103 555 L CA 1.806 56.616 54.840 -0.050 0.000 0.769 555 L CB -0.095 41.941 42.059 -0.040 0.000 0.908 555 L HN 0.521 nan 8.230 nan 0.000 0.438 556 D N -0.701 119.670 120.400 -0.048 0.000 2.328 556 D HA -0.003 4.637 4.640 -0.001 0.000 0.226 556 D C 0.814 177.085 176.300 -0.048 0.000 1.066 556 D CA 0.274 54.245 54.000 -0.049 0.000 0.861 556 D CB -0.017 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 4.777 4.740 -0.001 0.000 0.206 557 N C -0.016 175.469 175.510 -0.041 0.000 1.151 557 N CA 0.057 53.081 53.050 -0.042 0.000 0.878 557 N CB 1.671 40.137 38.487 -0.035 0.000 1.014 557 N HN 0.072 nan 8.380 nan 0.000 0.512 558 V N -2.179 117.705 119.914 -0.051 0.000 3.074 558 V HA 0.660 4.780 4.120 -0.001 0.000 0.314 558 V C -0.410 175.650 176.094 -0.057 0.000 1.117 558 V CA -0.985 61.286 62.300 -0.049 0.000 1.014 558 V CB 2.512 34.295 31.823 -0.066 0.000 1.057 558 V HN -0.181 nan 8.190 nan 0.000 0.438 559 M N 3.280 122.863 119.600 -0.028 0.000 2.043 559 M HA 0.583 5.062 4.480 -0.001 0.000 0.322 559 M C -0.998 175.272 176.300 -0.050 0.000 0.962 559 M CA -0.145 55.144 55.300 -0.018 0.000 0.927 559 M CB 1.529 34.160 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 0.324 4.494 4.170 -0.001 0.000 0.291 560 I C 0.632 176.691 176.117 -0.097 0.000 1.004 560 I CA -0.660 60.535 61.300 -0.174 0.000 1.311 560 I CB 1.452 39.245 38.000 -0.345 0.000 1.401 560 I HN 0.596 nan 8.210 nan 0.000 0.491 561 T N 0.520 115.018 114.554 -0.094 0.000 2.806 561 T HA 0.279 4.629 4.350 -0.001 0.000 0.290 561 T C -0.489 174.253 174.700 0.071 0.000 0.966 561 T CA -0.839 61.223 62.100 -0.064 0.000 1.060 561 T CB 1.610 70.312 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 4.823 4.640 -0.001 0.000 0.232 562 D C -0.122 176.325 176.300 0.246 0.000 1.088 562 D CA -0.509 53.620 54.000 0.216 0.000 0.835 562 D CB 0.915 41.851 40.800 0.227 0.000 1.078 562 D HN 0.447 nan 8.370 nan 0.000 0.495 563 E N 3.334 123.669 120.200 0.226 0.000 2.360 563 E HA 0.059 4.408 4.350 -0.001 0.000 0.253 563 E C 0.053 176.713 176.600 0.100 0.000 1.189 563 E CA -0.056 56.453 56.400 0.182 0.000 1.252 563 E CB 0.240 30.047 29.700 0.178 0.000 1.408 563 E HN 0.656 nan 8.360 nan 0.000 0.464 564 E N -0.248 119.997 120.200 0.075 0.000 2.569 564 E HA 0.128 4.477 4.350 -0.001 0.000 0.205 564 E C 0.192 176.778 176.600 -0.025 0.000 1.006 564 E CA -0.004 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 -0.036 nan 8.360 nan 0.000 0.460 565 E N 0.738 120.936 120.200 -0.004 0.000 2.431 565 E HA 0.136 4.485 4.350 -0.001 0.000 0.200 565 E C 1.479 178.069 176.600 -0.016 0.000 0.995 565 E CA 0.236 56.619 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 -1.980 118.593 120.570 0.006 0.000 3.858 566 I HA 0.291 4.460 4.170 -0.001 0.000 0.325 566 I C 1.030 177.170 176.117 0.039 0.000 1.403 566 I CA -0.185 61.137 61.300 0.036 0.000 1.169 566 I CB 0.184 38.214 38.000 0.050 0.000 1.077 566 I HN -0.134 nan 8.210 nan 0.000 0.403 567 R N 1.412 121.919 120.500 0.012 0.000 2.152 567 R HA -0.088 4.251 4.340 -0.001 0.000 0.232 567 R C 2.186 178.492 176.300 0.009 0.000 1.117 567 R CA 1.988 58.086 56.100 -0.004 0.000 0.981 567 R CB -0.369 29.911 30.300 -0.033 0.000 0.870 567 R HN 0.649 nan 8.270 nan 0.000 0.451 568 T N -3.209 111.360 114.554 0.024 0.000 3.067 568 T HA -0.010 4.340 4.350 -0.001 0.000 0.257 568 T C 1.709 176.399 174.700 -0.016 0.000 1.105 568 T CA 1.139 63.242 62.100 0.006 0.000 1.104 568 T CB 0.215 69.093 68.868 0.017 0.000 0.925 568 T HN 0.304 nan 8.240 nan 0.000 0.498 569 T N -1.904 112.658 114.554 0.014 0.000 2.955 569 T HA 0.317 4.667 4.350 -0.001 0.000 0.251 569 T C 0.357 175.111 174.700 0.089 0.000 1.002 569 T CA -0.540 61.572 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 0.384 nan 8.240 nan 0.000 0.495 570 N N 2.201 120.953 118.700 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 2.020 40.574 38.487 0.112 0.000 1.288 570 N HN 0.058 nan 8.380 nan 0.000 0.493 571 P HA 0.054 nan 4.420 nan 0.000 0.272 571 P C -0.672 176.666 177.300 0.063 0.000 1.223 571 P CA -0.377 62.769 63.100 0.077 0.000 0.784 571 P CB 0.616 32.421 31.700 0.174 0.000 0.923 572 V N 1.973 121.909 119.914 0.037 0.000 2.572 572 V HA 0.114 4.234 4.120 -0.001 0.000 0.291 572 V C 1.720 177.839 176.094 0.042 0.000 1.039 572 V CA 0.534 62.853 62.300 0.033 0.000 1.055 572 V CB -0.037 31.794 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 2.254 179.844 177.584 0.009 0.000 1.181 573 A CA 2.400 54.464 52.037 0.045 0.000 0.627 573 A CB -0.693 18.343 19.000 0.060 0.000 0.818 573 A HN 1.016 nan 8.150 nan 0.000 0.445 574 T N -2.700 111.853 114.554 -0.002 0.000 3.009 574 T HA 0.073 4.422 4.350 -0.001 0.000 0.258 574 T C 0.814 175.483 174.700 -0.051 0.000 1.063 574 T CA 0.390 62.466 62.100 -0.041 0.000 1.139 574 T CB -0.204 68.632 68.868 -0.053 0.000 0.890 574 T HN 0.391 nan 8.240 nan 0.000 0.471 575 E N 2.374 122.555 120.200 -0.032 0.000 2.397 575 E HA 0.174 4.524 4.350 -0.001 0.000 0.254 575 E C 0.603 177.192 176.600 -0.017 0.000 1.231 575 E CA -0.208 56.170 56.400 -0.036 0.000 0.954 575 E CB 0.475 30.158 29.700 -0.028 0.000 1.024 575 E HN 0.769 nan 8.360 nan 0.000 0.481 576 Q N -0.348 119.442 119.800 -0.016 0.000 2.492 576 Q HA 0.016 4.355 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 -0.036 55.775 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 -1.538 118.739 120.300 -0.038 0.000 2.609 577 Y HA 0.429 4.979 4.550 -0.001 0.000 0.281 577 Y C 0.536 176.424 175.900 -0.020 0.000 1.132 577 Y CA 1.082 59.166 58.100 -0.026 0.000 1.264 577 Y CB 1.219 39.663 38.460 -0.027 0.000 1.325 577 Y HN 0.865 nan 8.280 nan 0.000 0.514 578 G N -0.983 107.828 108.800 0.018 0.000 2.399 578 G HA2 0.307 4.266 3.960 -0.001 0.000 0.256 578 G HA3 0.307 4.266 3.960 -0.001 0.000 0.256 578 G C -1.432 173.477 174.900 0.015 0.000 1.236 578 G CA -0.380 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 -0.661 174.056 174.700 0.028 0.000 0.999 579 T CA -0.320 61.787 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 0.830 nan 8.240 nan 0.000 0.446 580 V N 1.675 121.606 119.914 0.028 0.000 2.789 580 V HA 0.805 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 1.827 33.671 31.823 0.035 0.000 1.009 580 V HN 1.089 nan 8.190 nan 0.000 0.426 581 A N 3.050 125.879 122.820 0.017 0.000 2.322 581 A HA 0.705 5.025 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 -0.305 51.740 52.037 0.012 0.000 0.807 581 A CB 0.174 19.182 19.000 0.014 0.000 1.047 581 A HN 1.093 nan 8.150 nan 0.000 0.487 582 N N 1.193 119.897 118.700 0.006 0.000 2.604 582 N HA 0.125 4.865 4.740 -0.001 0.000 0.284 582 N C -1.236 174.276 175.510 0.003 0.000 1.716 582 N CA -0.404 52.649 53.050 0.004 0.000 0.859 582 N CB 0.112 38.600 38.487 0.002 0.000 1.403 582 N HN 0.743 nan 8.380 nan 0.000 0.501 583 N N -0.249 118.454 118.700 0.004 0.000 3.322 583 N HA 0.147 4.886 4.740 -0.001 0.000 0.233 583 N C -1.740 173.773 175.510 0.005 0.000 1.399 583 N CA -0.580 52.472 53.050 0.004 0.000 0.894 583 N CB 0.602 39.090 38.487 0.002 0.000 1.440 583 N HN 0.048 nan 8.380 nan 0.000 0.503 584 L N 1.556 122.781 121.223 0.005 0.000 2.353 584 L HA 0.247 4.587 4.340 -0.001 0.000 0.269 584 L C 0.402 177.274 176.870 0.005 0.000 1.085 584 L CA -0.846 53.998 54.840 0.006 0.000 0.938 584 L CB 0.230 42.293 42.059 0.006 0.000 1.312 584 L HN 0.622 nan 8.230 nan 0.000 0.429 585 Q N 2.565 122.368 119.800 0.005 0.000 2.386 585 Q HA 0.417 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 -0.043 55.761 55.803 0.003 0.000 0.918 585 Q CB 1.177 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 0.131 115.831 115.700 0.000 0.000 2.694 586 S HA 0.339 4.809 4.470 -0.001 0.000 0.273 586 S C 0.408 175.006 174.600 -0.002 0.000 1.180 586 S CA -0.336 57.863 58.200 -0.000 0.000 0.864 586 S CB 0.069 63.270 63.200 0.001 0.000 1.198 586 S HN 0.958 nan 8.310 nan 0.000 0.499 587 S N 1.173 116.871 115.700 -0.003 0.000 2.419 587 S HA -0.105 4.364 4.470 -0.001 0.000 0.233 587 S C 1.189 175.786 174.600 -0.004 0.000 1.016 587 S CA 1.293 59.490 58.200 -0.004 0.000 0.974 587 S CB -0.869 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 1.217 119.916 118.700 -0.002 0.000 2.395 588 N HA 0.092 4.831 4.740 -0.001 0.000 0.175 588 N C -0.115 175.393 175.510 -0.003 0.000 1.029 588 N CA 0.757 53.806 53.050 -0.002 0.000 0.897 588 N CB 0.043 38.529 38.487 -0.002 0.000 0.991 588 N HN 0.385 nan 8.380 nan 0.000 0.441 589 T N 0.389 114.942 114.554 -0.002 0.000 2.841 589 T HA 0.620 4.969 4.350 -0.001 0.000 0.283 589 T C -0.467 174.231 174.700 -0.003 0.000 1.000 589 T CA -0.746 61.353 62.100 -0.002 0.000 0.977 589 T CB 2.463 71.330 68.868 -0.001 0.000 0.979 589 T HN 0.090 nan 8.240 nan 0.000 0.446 590 A N 4.730 127.548 122.820 -0.003 0.000 2.331 590 A HA 0.674 4.993 4.320 -0.001 0.000 0.283 590 A C -2.242 175.340 177.584 -0.003 0.000 1.142 590 A CA -1.664 50.371 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 -0.390 176.909 177.300 -0.002 0.000 1.193 591 P CA 0.496 63.596 63.100 -0.001 0.000 0.763 591 P CB 0.418 32.118 31.700 -0.000 0.000 0.810 592 T N 2.245 116.798 114.554 -0.001 0.000 2.855 592 T HA 0.420 4.770 4.350 -0.001 0.000 0.281 592 T C 0.028 174.728 174.700 -0.001 0.000 1.007 592 T CA -0.280 61.818 62.100 -0.002 0.000 1.009 592 T CB 1.189 70.056 68.868 -0.003 0.000 0.983 592 T HN 0.232 nan 8.240 nan 0.000 0.455 593 T N 3.104 117.656 114.554 -0.003 0.000 2.856 593 T HA 0.558 4.908 4.350 -0.001 0.000 0.283 593 T C -0.482 174.216 174.700 -0.004 0.000 1.008 593 T CA -0.767 61.332 62.100 -0.002 0.000 0.997 593 T CB 1.092 69.957 68.868 -0.004 0.000 0.992 593 T HN 0.266 nan 8.240 nan 0.000 0.454 594 R N 2.133 122.633 120.500 -0.000 0.000 2.480 594 R HA 0.363 4.703 4.340 -0.001 0.000 0.306 594 R C -0.930 175.371 176.300 0.003 0.000 0.958 594 R CA -0.472 55.627 56.100 -0.002 0.000 0.861 594 R CB 1.380 31.680 30.300 -0.000 0.000 1.171 594 R HN 0.617 nan 8.270 nan 0.000 0.445 595 T N 3.676 118.227 114.554 -0.005 0.000 2.738 595 T HA 0.054 4.403 4.350 -0.001 0.000 0.293 595 T C 0.046 174.750 174.700 0.006 0.000 0.913 595 T CA -0.054 62.045 62.100 -0.001 0.000 1.103 595 T CB 0.537 69.396 68.868 -0.016 0.000 0.880 595 T HN 0.351 nan 8.240 nan 0.000 0.526 596 V N 5.472 125.408 119.914 0.038 0.000 2.455 596 V HA 0.221 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 -0.158 62.168 62.300 0.043 0.000 0.976 596 V CB 0.440 32.327 31.823 0.106 0.000 0.993 596 V HN 0.804 nan 8.190 nan 0.000 0.475 597 N N 4.344 123.024 118.700 -0.035 0.000 2.294 597 N HA 0.158 4.897 4.740 -0.001 0.000 0.186 597 N C -0.427 175.003 175.510 -0.134 0.000 1.107 597 N CA 0.185 53.189 53.050 -0.076 0.000 0.884 597 N CB 0.600 39.021 38.487 -0.110 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 0.195 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 -0.148 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 2.739 122.364 119.800 -0.292 0.000 2.309 599 Q HA 0.652 4.992 4.340 -0.001 0.000 0.270 599 Q C 0.100 175.922 176.000 -0.298 0.000 1.023 599 Q CA -0.740 54.815 55.803 -0.413 0.000 0.758 599 Q CB 1.634 29.787 28.738 -0.975 0.000 1.247 599 Q HN 0.525 nan 8.270 nan 0.000 0.455 600 G N 2.072 110.741 108.800 -0.219 0.000 2.479 600 G HA2 0.464 4.423 3.960 -0.001 0.000 0.275 600 G HA3 0.464 4.423 3.960 -0.001 0.000 0.275 600 G C -0.477 174.277 174.900 -0.244 0.000 1.421 600 G CA -0.092 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 -1.510 121.156 122.820 -0.257 0.000 2.304 601 A HA 0.715 5.035 4.320 -0.001 0.000 0.271 601 A C -0.405 177.157 177.584 -0.037 0.000 1.091 601 A CA -0.217 51.707 52.037 -0.189 0.000 0.812 601 A CB 0.496 19.332 19.000 -0.275 0.000 1.056 601 A HN 0.575 nan 8.150 nan 0.000 0.489 602 L N 0.881 122.144 121.223 0.068 0.000 2.482 602 L HA 0.361 4.701 4.340 -0.001 0.000 0.263 602 L C -2.588 174.386 176.870 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 0.671 178.078 177.300 0.179 0.000 1.211 603 P CA 0.685 63.883 63.100 0.163 0.000 0.810 603 P CB 0.454 32.222 31.700 0.113 0.000 0.815 604 G N 2.365 111.317 108.800 0.254 0.000 2.227 604 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.168 604 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.168 604 G C 0.132 175.266 174.900 0.391 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 1.334 121.143 119.600 0.347 0.000 2.233 605 M HA 0.521 5.001 4.480 -0.001 0.000 0.350 605 M C 0.471 177.002 176.300 0.386 0.000 1.176 605 M CA -0.210 55.318 55.300 0.380 0.000 1.150 605 M CB 1.542 34.378 32.600 0.395 0.000 1.530 605 M HN 0.481 nan 8.290 nan 0.000 0.459 606 V N 0.854 120.952 119.914 0.307 0.000 2.686 606 V HA 0.834 4.954 4.120 -0.001 0.000 0.306 606 V C -1.609 174.606 176.094 0.203 0.000 1.065 606 V CA -0.680 61.666 62.300 0.077 0.000 0.894 606 V CB 1.204 32.937 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 -1.065 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 0.176 0.000 2.274 608 Q HA 0.308 4.648 4.340 -0.001 0.000 0.260 608 Q C -0.401 175.717 176.000 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 0.409 nan 8.270 nan 0.000 0.446 609 D N 1.059 121.544 120.400 0.141 0.000 2.414 609 D HA 0.205 4.844 4.640 -0.001 0.000 0.259 609 D C 0.484 176.873 176.300 0.150 0.000 1.269 609 D CA -0.194 53.933 54.000 0.211 0.000 1.028 609 D CB 0.604 41.539 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 0.245 4.585 4.340 -0.001 0.000 0.188 610 R C -0.267 176.142 176.300 0.181 0.000 0.931 610 R CA 0.080 56.284 56.100 0.173 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 -0.840 119.656 120.400 0.161 0.000 2.581 611 D HA 0.318 4.957 4.640 -0.001 0.000 0.232 611 D C -1.630 174.555 176.300 -0.191 0.000 1.143 611 D CA -0.557 53.458 54.000 0.024 0.000 0.881 611 D CB 1.982 42.682 40.800 -0.167 0.000 1.500 611 D HN 0.244 nan 8.370 nan 0.000 0.458 612 V N 0.161 119.829 119.914 -0.410 0.000 2.483 612 V HA 0.693 4.813 4.120 -0.001 0.000 0.295 612 V C -1.077 174.840 176.094 -0.294 0.000 1.035 612 V CA -0.491 61.657 62.300 -0.253 0.000 0.896 612 V CB 0.758 32.395 31.823 -0.310 0.000 0.986 612 V HN 0.439 nan 8.190 nan 0.000 0.447 613 Y N 2.720 123.127 120.300 0.179 0.000 2.549 613 Y HA 0.580 5.130 4.550 -0.001 0.000 0.339 613 Y C 0.858 176.587 175.900 -0.285 0.000 1.053 613 Y CA -1.076 57.080 58.100 0.093 0.000 1.105 613 Y CB 1.515 40.061 38.460 0.144 0.000 1.258 613 Y HN 0.587 nan 8.280 nan 0.000 0.478 614 L N 1.412 122.284 121.223 -0.585 0.000 2.151 614 L HA -0.243 4.096 4.340 -0.001 0.000 0.215 614 L C 1.711 178.361 176.870 -0.366 0.000 1.084 614 L CA 2.051 56.191 54.840 -1.167 0.000 0.764 614 L CB -0.438 41.004 42.059 -1.027 0.000 0.891 614 L HN 0.826 nan 8.230 nan 0.000 0.435 615 Q N -1.387 118.301 119.800 -0.187 0.000 2.179 615 Q HA 0.304 4.644 4.340 -0.001 0.000 0.213 615 Q C 0.664 176.684 176.000 0.033 0.000 0.833 615 Q CA 0.376 56.168 55.803 -0.019 0.000 0.990 615 Q CB -0.303 28.283 28.738 -0.253 0.000 1.132 615 Q HN 0.363 nan 8.270 nan 0.000 0.493 616 G N 2.283 111.238 108.800 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 0.184 nan 4.420 nan 0.000 0.270 617 P C 0.435 177.701 177.300 -0.056 0.000 1.223 617 P CA -0.153 62.948 63.100 0.003 0.000 0.785 617 P CB 1.012 32.723 31.700 0.019 0.000 0.923 618 I N -1.053 119.345 120.570 -0.287 0.000 2.900 618 I HA 0.181 4.351 4.170 -0.001 0.000 0.251 618 I C 0.681 176.985 176.117 0.312 0.000 1.102 618 I CA 0.556 61.749 61.300 -0.179 0.000 1.457 618 I CB -0.299 37.642 38.000 -0.100 0.000 1.285 618 I HN 0.445 nan 8.210 nan 0.000 0.459 619 W N 1.053 122.472 121.300 0.198 0.000 3.207 619 W HA 0.827 5.487 4.660 -0.000 0.000 0.326 619 W C -1.198 175.433 176.519 0.187 0.000 1.190 619 W CA -1.216 56.281 57.345 0.254 0.000 1.011 619 W CB 0.820 30.470 29.460 0.317 0.000 1.511 619 W HN -0.068 nan 8.180 nan 0.000 0.606 620 A N 1.325 124.426 122.820 0.468 0.000 2.555 620 A HA 0.449 4.769 4.320 -0.001 0.000 0.297 620 A C -1.554 176.176 177.584 0.243 0.000 1.060 620 A CA -1.091 51.119 52.037 0.289 0.000 0.710 620 A CB 1.469 20.564 19.000 0.159 0.000 1.282 620 A HN 0.699 nan 8.150 nan 0.000 0.399 621 K N 3.539 124.030 120.400 0.152 0.000 2.315 621 K HA 0.365 4.684 4.320 -0.001 0.000 0.291 621 K C -0.482 176.067 176.600 -0.084 0.000 1.074 621 K CA -0.273 55.944 56.287 -0.118 0.000 0.936 621 K CB -0.239 31.973 32.500 -0.481 0.000 1.049 621 K HN 0.615 nan 8.250 nan 0.000 0.471 622 I N 7.581 128.076 120.570 -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 -1.577 59.628 61.300 -0.160 0.000 1.417 622 I CB 0.096 37.922 38.000 -0.290 0.000 1.377 622 I HN 0.473 nan 8.210 nan 0.000 0.556 623 P HA -0.095 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 0.166 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 1.783 120.872 119.070 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 0.012 56.096 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 -0.671 113.894 114.554 0.018 0.000 2.870 625 T HA 0.148 4.498 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 -0.900 61.161 62.100 -0.066 0.000 0.982 625 T CB 1.173 70.018 68.868 -0.037 0.000 1.249 625 T HN 0.232 nan 8.240 nan 0.000 0.589 626 D N 0.418 120.705 120.400 -0.189 0.000 2.224 626 D HA 0.199 4.839 4.640 -0.001 0.000 0.205 626 D C 0.880 176.994 176.300 -0.309 0.000 0.965 626 D CA 1.099 54.982 54.000 -0.195 0.000 0.852 626 D CB -0.167 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 -0.645 107.889 108.800 -0.443 0.000 2.733 627 G HA2 0.496 4.456 3.960 -0.001 0.000 0.297 627 G HA3 0.496 4.456 3.960 -0.001 0.000 0.297 627 G C -1.340 173.204 174.900 -0.594 0.000 1.422 627 G CA -0.688 44.124 45.100 -0.479 0.000 0.942 627 G HN 0.027 nan 8.290 nan 0.000 0.510 628 H N 1.315 120.398 119.070 0.021 0.000 2.928 628 H HA 0.512 5.068 4.556 -0.001 0.000 0.371 628 H C -0.428 174.979 175.328 0.133 0.000 1.186 628 H CA -0.685 55.398 56.048 0.057 0.000 1.134 628 H CB 2.525 32.295 29.762 0.013 0.000 1.824 628 H HN 0.409 nan 8.280 nan 0.000 0.554 629 F N 0.847 120.890 119.950 0.154 0.000 2.324 629 F HA 0.092 4.619 4.527 -0.001 0.000 0.260 629 F C 0.830 176.766 175.800 0.227 0.000 1.073 629 F CA 0.691 58.781 58.000 0.150 0.000 1.073 629 F CB 0.346 39.409 39.000 0.106 0.000 1.114 629 F HN 0.514 nan 8.300 nan 0.000 0.588 630 H N 1.957 121.040 119.070 0.021 0.000 2.439 630 H HA 0.345 4.901 4.556 -0.001 0.000 0.239 630 H C -2.386 173.025 175.328 0.138 0.000 1.432 630 H CA -2.149 53.890 56.048 -0.014 0.000 1.373 630 H CB 0.238 30.112 29.762 0.186 0.000 1.463 630 H HN 0.068 nan 8.280 nan 0.000 0.530 631 P HA -0.009 nan 4.420 nan 0.000 0.235 631 P C -0.380 176.915 177.300 -0.008 0.000 1.670 631 P CA 0.322 63.415 63.100 -0.013 0.000 1.017 631 P CB -0.336 31.288 31.700 -0.127 0.000 1.945 632 S N 1.902 117.666 115.700 0.108 0.000 2.437 632 S HA 0.503 4.973 4.470 -0.001 0.000 0.305 632 S C -2.499 172.192 174.600 0.152 0.000 1.109 632 S CA -2.108 56.179 58.200 0.146 0.000 1.099 632 S CB 0.271 63.631 63.200 0.267 0.000 1.004 632 S HN -0.026 nan 8.310 nan 0.000 0.475 633 P HA 0.032 nan 4.420 nan 0.000 0.258 633 P C 0.719 178.090 177.300 0.120 0.000 1.172 633 P CA 0.206 63.374 63.100 0.113 0.000 0.762 633 P CB 0.281 32.048 31.700 0.112 0.000 0.764 634 L N 2.438 123.725 121.223 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 1.565 56.469 54.840 0.107 0.000 0.757 634 L CB -0.416 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 0.141 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 0.502 55.867 55.300 0.109 0.000 1.086 635 M CB -0.016 32.632 32.600 0.080 0.000 1.465 635 M HN 0.335 nan 8.290 nan 0.000 0.506 636 G N -0.138 108.741 108.800 0.132 0.000 2.674 636 G HA2 0.291 4.250 3.960 -0.001 0.000 0.686 636 G HA3 0.291 4.250 3.960 -0.001 0.000 0.686 636 G C -0.366 174.578 174.900 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 -0.548 108.227 108.800 -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 -0.650 174.079 174.900 -0.286 0.000 1.267 637 G CA -0.081 44.905 45.100 -0.191 0.000 1.127 637 G HN 1.625 nan 8.290 nan 0.000 0.498 638 F N 1.965 122.056 119.950 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 0.068 58.179 58.000 0.185 0.000 1.056 638 F CB 2.014 41.114 39.000 0.166 0.000 1.155 638 F HN 0.712 nan 8.300 nan 0.000 0.461 639 G N 5.178 114.133 108.800 0.258 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 -0.821 174.149 174.900 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 3.115 124.398 121.223 0.101 0.000 2.356 640 L HA 0.360 4.700 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 -1.115 53.748 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 1.034 121.309 120.400 -0.208 0.000 2.026 641 K HA -0.035 4.285 4.320 -0.001 0.000 0.208 641 K C 0.324 176.468 176.600 -0.759 0.000 1.048 641 K CA 1.352 57.358 56.287 -0.468 0.000 0.929 641 K CB 0.044 32.267 32.500 -0.461 0.000 0.713 641 K HN 0.540 nan 8.250 nan 0.000 0.439 642 H N 0.583 119.528 119.070 -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 0.001 0.000 1.269 642 H CA -2.228 53.668 56.048 -0.253 0.000 1.409 642 H CB 1.146 30.906 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 -0.343 0.000 1.264 643 P CA -2.154 60.843 63.100 -0.172 0.000 0.824 643 P CB 0.266 31.891 31.700 -0.125 0.000 1.092 644 P HA -0.031 nan 4.420 nan 0.000 0.251 644 P C -2.007 175.096 177.300 -0.328 0.000 1.154 644 P CA -0.082 62.318 63.100 -1.168 0.000 0.805 644 P CB -1.278 29.735 31.700 -1.145 0.000 0.759 645 P HA -0.073 nan 4.420 nan 0.000 0.270 645 P C -0.306 176.863 177.300 -0.218 0.000 1.221 645 P CA 0.290 63.284 63.100 -0.177 0.000 0.788 645 P CB 0.656 32.128 31.700 -0.380 0.000 0.904 646 Q N 0.503 120.146 119.800 -0.262 0.000 2.286 646 Q HA 0.343 4.683 4.340 -0.001 0.000 0.257 646 Q C -0.456 175.203 176.000 -0.568 0.000 0.941 646 Q CA -0.384 55.177 55.803 -0.404 0.000 0.912 646 Q CB 0.289 28.740 28.738 -0.478 0.000 1.192 646 Q HN 0.314 nan 8.270 nan 0.000 0.410 647 I N 3.110 123.380 120.570 -0.500 0.000 2.307 647 I HA 0.199 4.368 4.170 -0.001 0.000 0.289 647 I C -0.419 175.452 176.117 -0.410 0.000 1.021 647 I CA -0.149 60.810 61.300 -0.569 0.000 1.224 647 I CB 0.808 38.407 38.000 -0.669 0.000 1.376 647 I HN 0.499 nan 8.210 nan 0.000 0.470 648 M N 6.649 125.840 119.600 -0.680 0.000 2.359 648 M HA 0.609 5.089 4.480 -0.001 0.000 0.322 648 M C -0.740 175.526 176.300 -0.057 0.000 1.166 648 M CA -0.356 54.661 55.300 -0.472 0.000 1.067 648 M CB 1.441 33.412 32.600 -1.049 0.000 1.523 648 M HN 0.494 nan 8.290 nan 0.000 0.467 649 I N 2.258 122.962 120.570 0.223 0.000 2.775 649 I HA 0.684 4.854 4.170 -0.001 0.000 0.295 649 I C -1.844 174.302 176.117 0.048 0.000 1.287 649 I CA -0.235 61.148 61.300 0.138 0.000 1.029 649 I CB 1.695 39.657 38.000 -0.064 0.000 1.282 649 I HN 0.683 nan 8.210 nan 0.000 0.426 650 K N 3.459 123.737 120.400 -0.204 0.000 2.598 650 K HA 0.548 4.868 4.320 -0.001 0.000 0.271 650 K C -2.012 174.411 176.600 -0.295 0.000 0.947 650 K CA -0.697 55.338 56.287 -0.420 0.000 0.854 650 K CB 0.609 32.426 32.500 -1.139 0.000 1.401 650 K HN 0.327 nan 8.250 nan 0.000 0.415 651 N N 1.191 119.783 118.700 -0.180 0.000 2.442 651 N HA 0.177 4.917 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 52.680 53.050 -0.090 0.000 0.956 651 N CB 1.086 39.568 38.487 -0.009 0.000 1.067 651 N HN 0.655 nan 8.380 nan 0.000 0.474 652 T N 4.066 118.547 114.554 -0.122 0.000 2.829 652 T HA 0.100 4.450 4.350 -0.001 0.000 0.293 652 T C -2.187 172.391 174.700 -0.202 0.000 0.970 652 T CA -0.595 61.415 62.100 -0.151 0.000 1.168 652 T CB 0.075 68.889 68.868 -0.090 0.000 0.911 652 T HN 0.284 nan 8.240 nan 0.000 0.535 653 P HA 0.138 nan 4.420 nan 0.000 0.263 653 P C -0.821 176.259 177.300 -0.367 0.000 1.195 653 P CA -0.143 62.494 63.100 -0.772 0.000 0.762 653 P CB 0.380 31.420 31.700 -1.101 0.000 0.799 654 V N 7.247 127.045 119.914 -0.193 0.000 2.334 654 V HA 0.267 4.386 4.120 -0.001 0.000 0.281 654 V C -2.111 174.113 176.094 0.217 0.000 1.016 654 V CA -2.158 60.148 62.300 0.011 0.000 0.832 654 V CB 1.461 33.301 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 0.237 177.628 177.300 0.152 0.000 1.195 655 P CA 0.457 63.625 63.100 0.114 0.000 0.762 655 P CB 0.687 32.201 31.700 -0.310 0.000 0.799 656 A N 4.366 127.317 122.820 0.219 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 -0.350 18.719 19.000 0.114 0.000 1.473 656 A HN 0.596 nan 8.150 nan 0.000 0.602 657 N N 0.805 119.568 118.700 0.105 0.000 2.470 657 N HA 0.299 5.038 4.740 -0.001 0.000 0.268 657 N C -2.604 172.975 175.510 0.115 0.000 1.136 657 N CA -0.883 52.222 53.050 0.091 0.000 0.961 657 N CB 0.308 38.824 38.487 0.048 0.000 1.067 657 N HN 0.236 nan 8.380 nan 0.000 0.468 658 P HA 0.486 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 61.950 63.100 0.170 0.000 0.844 658 P CB 0.287 32.120 31.700 0.221 0.000 1.068 659 P HA 0.230 nan 4.420 nan 0.000 0.277 659 P C 0.531 177.863 177.300 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 -1.229 113.351 114.554 0.042 0.000 3.035 660 T HA -0.028 4.321 4.350 -0.001 0.000 0.268 660 T C 0.912 175.653 174.700 0.068 0.000 1.109 660 T CA 1.244 63.375 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 1.031 115.623 114.554 0.063 0.000 2.867 661 T HA 0.485 4.835 4.350 -0.001 0.000 0.282 661 T C -0.738 174.035 174.700 0.123 0.000 1.000 661 T CA -0.971 61.181 62.100 0.087 0.000 1.042 661 T CB 0.254 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 4.255 124.217 119.950 0.021 0.000 2.484 662 F HA 0.494 5.021 4.527 -0.001 0.000 0.360 662 F C 0.331 176.145 175.800 0.023 0.000 1.101 662 F CA -0.048 57.970 58.000 0.029 0.000 1.251 662 F CB 0.643 39.660 39.000 0.029 0.000 1.132 662 F HN 0.448 nan 8.300 nan 0.000 0.570 663 S N 6.926 122.121 115.700 -0.843 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 -0.924 0.000 1.113 663 S CA -1.283 56.498 58.200 -0.699 0.000 1.049 663 S CB 1.408 64.406 63.200 -0.337 0.000 1.001 663 S HN 0.532 nan 8.310 nan 0.000 0.480 664 P HA 0.224 nan 4.420 nan 0.000 0.236 664 P C 0.166 177.374 177.300 -0.154 0.000 1.177 664 P CA 0.149 63.049 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 0.909 123.627 122.820 -0.170 0.000 2.531 665 A HA 0.028 4.348 4.320 -0.001 0.000 0.236 665 A C 0.579 178.131 177.584 -0.053 0.000 1.062 665 A CA -0.211 51.766 52.037 -0.100 0.000 0.760 665 A CB -0.304 18.620 19.000 -0.127 0.000 0.995 665 A HN 0.066 nan 8.150 nan 0.000 0.501 666 K N 1.661 122.063 120.400 0.003 0.000 2.524 666 K HA 0.017 4.336 4.320 -0.001 0.000 0.279 666 K C -0.824 175.810 176.600 0.057 0.000 0.993 666 K CA 0.234 56.566 56.287 0.075 0.000 1.030 666 K CB 0.057 32.612 32.500 0.093 0.000 0.891 666 K HN 0.497 nan 8.250 nan 0.000 0.488 667 F N 2.990 122.941 119.950 0.002 0.000 2.456 667 F HA 0.243 4.770 4.527 -0.001 0.000 0.358 667 F C 0.707 176.421 175.800 -0.142 0.000 1.095 667 F CA 0.766 58.706 58.000 -0.100 0.000 1.216 667 F CB 1.211 40.164 39.000 -0.078 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 -0.343 0.000 2.704 668 A HA 0.181 4.501 4.320 -0.001 0.000 0.260 668 A C 0.128 177.474 177.584 -0.397 0.000 1.144 668 A CA 0.025 51.942 52.037 -0.199 0.000 0.985 668 A CB -0.124 18.861 19.000 -0.025 0.000 1.256 668 A HN 0.480 nan 8.150 nan 0.000 0.598 669 S N 0.714 116.008 115.700 -0.675 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 -0.337 57.627 58.200 -0.394 0.000 1.115 669 S CB -0.541 62.448 63.200 -0.351 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 0.437 176.325 175.800 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 40.322 39.000 0.209 0.000 1.227 670 F HN 0.283 nan 8.300 nan 0.000 0.478 671 I N 1.501 122.264 120.570 0.322 0.000 2.471 671 I HA 0.113 4.283 4.170 -0.001 0.000 0.286 671 I C 0.348 176.589 176.117 0.207 0.000 1.079 671 I CA -0.360 61.060 61.300 0.200 0.000 1.398 671 I CB 0.913 38.994 38.000 0.135 0.000 1.403 671 I HN 0.604 nan 8.210 nan 0.000 0.530 672 T N 4.488 119.136 114.554 0.157 0.000 2.814 672 T HA 0.396 4.746 4.350 -0.001 0.000 0.297 672 T C -0.381 174.390 174.700 0.118 0.000 0.956 672 T CA -0.640 61.540 62.100 0.132 0.000 1.123 672 T CB 0.770 69.695 68.868 0.094 0.000 0.902 672 T HN 0.732 nan 8.240 nan 0.000 0.528 673 Q N 2.305 122.177 119.800 0.119 0.000 2.472 673 Q HA 0.563 4.903 4.340 -0.001 0.000 0.281 673 Q C -1.774 174.305 176.000 0.132 0.000 0.997 673 Q CA -1.355 54.506 55.803 0.097 0.000 0.828 673 Q CB 1.493 30.249 28.738 0.030 0.000 1.443 673 Q HN 0.864 nan 8.270 nan 0.000 0.390 674 Y N -1.143 119.148 120.300 -0.015 0.000 2.545 674 Y HA 0.836 5.386 4.550 -0.001 0.000 0.348 674 Y C -0.848 175.057 175.900 0.008 0.000 1.002 674 Y CA -0.825 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 1.072 116.831 115.700 0.099 0.000 2.621 675 S HA 0.849 5.319 4.470 -0.001 0.000 0.302 675 S C -0.650 174.036 174.600 0.143 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 -0.454 114.006 114.554 -0.158 0.000 2.853 676 T HA 0.760 5.110 4.350 -0.001 0.000 0.311 676 T C -0.347 173.657 174.700 -1.161 0.000 1.307 676 T CA 0.269 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 1.796 109.447 108.800 -1.914 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 -2.091 172.011 174.900 -1.329 0.000 1.274 677 G CA -0.666 43.694 45.100 -1.235 0.000 0.857 677 G HN 0.768 nan 8.290 nan 0.000 0.499 678 Q N -1.351 118.045 119.800 -0.673 0.000 2.248 678 Q HA 0.757 5.097 4.340 -0.001 0.000 0.263 678 Q C -0.571 175.210 176.000 -0.365 0.000 1.007 678 Q CA -0.729 54.719 55.803 -0.590 0.000 0.877 678 Q CB 2.539 30.789 28.738 -0.814 0.000 1.315 678 Q HN 0.974 nan 8.270 nan 0.000 0.454 679 V N 0.205 120.031 119.914 -0.147 0.000 2.841 679 V HA 0.830 4.950 4.120 -0.001 0.000 0.310 679 V C -1.595 174.397 176.094 -0.170 0.000 1.090 679 V CA -0.317 61.874 62.300 -0.181 0.000 0.930 679 V CB 2.343 34.116 31.823 -0.085 0.000 1.014 679 V HN 0.692 nan 8.190 nan 0.000 0.425 680 S N 4.310 119.898 115.700 -0.188 0.000 2.557 680 S HA 0.817 5.287 4.470 -0.001 0.000 0.291 680 S C -1.476 172.955 174.600 -0.281 0.000 1.116 680 S CA -0.453 57.665 58.200 -0.136 0.000 0.992 680 S CB 1.595 64.834 63.200 0.064 0.000 1.028 680 S HN 0.878 nan 8.310 nan 0.000 0.484 681 V N 4.957 124.736 119.914 -0.225 0.000 2.443 681 V HA 0.498 4.618 4.120 -0.001 0.000 0.293 681 V C -0.233 175.784 176.094 -0.129 0.000 1.021 681 V CA -0.650 61.513 62.300 -0.227 0.000 0.848 681 V CB 1.479 33.021 31.823 -0.468 0.000 0.998 681 V HN 0.902 nan 8.190 nan 0.000 0.424 682 E N 5.479 125.615 120.200 -0.107 0.000 2.151 682 E HA 0.651 5.000 4.350 -0.001 0.000 0.275 682 E C -1.424 175.127 176.600 -0.082 0.000 0.936 682 E CA -0.519 55.829 56.400 -0.086 0.000 0.777 682 E CB 1.423 31.057 29.700 -0.109 0.000 1.108 682 E HN 0.647 nan 8.360 nan 0.000 0.401 683 I N 3.531 124.056 120.570 -0.075 0.000 2.498 683 I HA 0.269 4.439 4.170 -0.001 0.000 0.290 683 I C -0.217 175.768 176.117 -0.220 0.000 1.032 683 I CA -0.802 60.398 61.300 -0.168 0.000 1.073 683 I CB 2.063 39.912 38.000 -0.252 0.000 1.251 683 I HN 0.554 nan 8.210 nan 0.000 0.426 684 E N 5.217 125.236 120.200 -0.302 0.000 2.231 684 E HA 0.372 4.722 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 1.303 30.931 29.700 -0.120 0.000 1.101 684 E HN 0.405 nan 8.360 nan 0.000 0.393 685 W N 2.736 124.025 121.300 -0.017 0.000 2.619 685 W HA 0.287 4.946 4.660 -0.001 0.000 0.327 685 W C -0.201 176.364 176.519 0.076 0.000 1.027 685 W CA -0.701 56.675 57.345 0.051 0.000 1.233 685 W CB 1.252 30.806 29.460 0.156 0.000 1.370 685 W HN 0.459 nan 8.180 nan 0.000 0.453 686 E N 3.254 123.603 120.200 0.248 0.000 2.331 686 E HA 0.472 4.822 4.350 -0.001 0.000 0.272 686 E C -0.900 175.979 176.600 0.464 0.000 1.036 686 E CA -0.283 56.272 56.400 0.257 0.000 0.864 686 E CB 0.823 30.598 29.700 0.125 0.000 1.035 686 E HN 0.461 nan 8.360 nan 0.000 0.408 687 L N 3.299 124.800 121.223 0.463 0.000 2.342 687 L HA 0.361 4.701 4.340 -0.001 0.000 0.271 687 L C -0.298 176.811 176.870 0.399 0.000 1.008 687 L CA -0.765 54.376 54.840 0.501 0.000 0.818 687 L CB 1.921 44.200 42.059 0.365 0.000 1.296 687 L HN 0.546 nan 8.230 nan 0.000 0.427 688 Q N 3.101 123.066 119.800 0.275 0.000 2.394 688 Q HA 0.251 4.591 4.340 -0.001 0.000 0.259 688 Q C -0.823 175.183 176.000 0.010 0.000 1.021 688 Q CA -0.786 54.981 55.803 -0.060 0.000 0.805 688 Q CB 1.164 29.619 28.738 -0.471 0.000 1.226 688 Q HN 0.343 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 -0.099 176.244 176.600 -0.429 0.000 1.008 689 K CA -0.005 56.187 56.287 -0.159 0.000 0.910 689 K CB 0.657 33.074 32.500 -0.139 0.000 0.994 689 K HN 0.657 nan 8.250 nan 0.000 0.495 690 E N 1.983 121.816 120.200 -0.612 0.000 2.200 690 E HA 0.035 4.384 4.350 -0.001 0.000 0.283 690 E C -1.018 175.004 176.600 -0.963 0.000 1.015 690 E CA -0.205 55.414 56.400 -1.301 0.000 0.819 690 E CB 0.555 29.624 29.700 -1.051 0.000 1.081 690 E HN 0.356 nan 8.360 nan 0.000 0.397 691 N N 2.950 121.015 118.700 -1.057 0.000 2.762 691 N HA 0.115 4.855 4.740 -0.001 0.000 0.252 691 N C -1.840 173.568 175.510 -0.169 0.000 1.269 691 N CA -0.222 52.577 53.050 -0.418 0.000 0.799 691 N CB 0.969 39.319 38.487 -0.227 0.000 1.173 691 N HN 0.232 nan 8.380 nan 0.000 0.516 692 S N 1.101 116.710 115.700 -0.151 0.000 2.513 692 S HA 0.444 4.914 4.470 -0.001 0.000 0.299 692 S C 0.063 174.684 174.600 0.036 0.000 1.087 692 S CA -0.616 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 2.366 122.814 120.400 0.080 0.000 2.493 693 K HA 0.156 4.476 4.320 -0.001 0.000 0.207 693 K C 0.267 176.943 176.600 0.126 0.000 1.033 693 K CA -0.264 56.074 56.287 0.084 0.000 1.161 693 K CB -0.132 32.419 32.500 0.085 0.000 0.873 693 K HN 0.554 nan 8.250 nan 0.000 0.491 694 R N 0.962 121.533 120.500 0.119 0.000 2.502 694 R HA -0.107 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 0.296 nan 8.270 nan 0.000 0.411 695 W N 5.831 127.145 121.300 0.024 0.000 2.452 695 W HA -0.091 4.569 4.660 -0.001 0.000 0.313 695 W C -0.101 176.427 176.519 0.015 0.000 1.176 695 W CA 1.125 58.479 57.345 0.015 0.000 1.350 695 W CB -0.231 29.236 29.460 0.013 0.000 1.148 695 W HN 0.755 nan 8.180 nan 0.000 0.498 696 N N 2.069 120.892 118.700 0.205 0.000 2.444 696 N HA 0.089 4.828 4.740 -0.001 0.000 0.255 696 N C -2.700 172.814 175.510 0.006 0.000 1.255 696 N CA -1.047 52.054 53.050 0.086 0.000 0.933 696 N CB -0.613 37.972 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 0.272 63.363 63.100 -0.016 0.000 0.772 697 P CB 0.552 32.241 31.700 -0.019 0.000 0.855 698 E N 1.351 121.576 120.200 0.042 0.000 2.292 698 E HA 0.367 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 55.451 56.400 0.078 0.000 0.929 698 E CB 0.812 30.578 29.700 0.110 0.000 1.161 698 E HN 0.439 nan 8.360 nan 0.000 0.453 699 I N -1.203 119.437 120.570 0.117 0.000 2.519 699 I HA 0.198 4.367 4.170 -0.001 0.000 0.287 699 I C -0.350 175.927 176.117 0.267 0.000 1.047 699 I CA -0.485 60.906 61.300 0.151 0.000 1.381 699 I CB 0.651 38.721 38.000 0.117 0.000 1.417 699 I HN 0.169 nan 8.210 nan 0.000 0.540 700 Q N 4.681 124.632 119.800 0.252 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 0.230 0.000 1.089 700 Q CA -0.796 55.138 55.803 0.218 0.000 0.812 700 Q CB 2.824 31.605 28.738 0.071 0.000 1.353 700 Q HN 0.791 nan 8.270 nan 0.000 0.438 701 Y N 0.997 121.188 120.300 -0.182 0.000 2.346 701 Y HA 0.295 4.845 4.550 -0.001 0.000 0.330 701 Y C -0.117 175.763 175.900 -0.035 0.000 1.178 701 Y CA 0.863 58.870 58.100 -0.155 0.000 1.331 701 Y CB 0.990 39.124 38.460 -0.543 0.000 1.253 701 Y HN 0.616 nan 8.280 nan 0.000 0.529 702 T N 3.633 117.782 114.554 -0.675 0.000 2.840 702 T HA 0.433 4.782 4.350 -0.001 0.000 0.317 702 T C -1.240 173.223 174.700 -0.394 0.000 1.401 702 T CA -0.752 61.151 62.100 -0.328 0.000 1.028 702 T CB 0.867 69.662 68.868 -0.122 0.000 1.317 702 T HN 0.614 nan 8.240 nan 0.000 0.495 703 S N 2.055 117.701 115.700 -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 0.054 4.794 4.740 -0.001 0.000 0.269 704 N C 0.651 176.208 175.510 0.078 0.000 1.235 704 N CA -0.127 52.964 53.050 0.068 0.000 0.934 704 N CB 0.171 38.659 38.487 0.003 0.000 1.121 704 N HN 0.755 nan 8.380 nan 0.000 0.480 705 Y N 1.098 121.396 120.300 -0.004 0.000 2.639 705 Y HA 0.078 4.628 4.550 -0.001 0.000 0.297 705 Y C 0.063 175.966 175.900 0.004 0.000 1.151 705 Y CA -0.511 57.591 58.100 0.003 0.000 1.335 705 Y CB -0.159 38.301 38.460 0.000 0.000 0.994 705 Y HN 0.313 nan 8.280 nan 0.000 0.548 706 N N 2.536 120.874 118.700 -0.604 0.000 2.415 706 N HA -0.032 4.708 4.740 -0.001 0.000 0.248 706 N C -0.496 174.877 175.510 -0.230 0.000 1.271 706 N CA -0.198 52.528 53.050 -0.540 0.000 0.913 706 N CB 0.513 38.745 38.487 -0.425 0.000 1.129 706 N HN 0.318 nan 8.380 nan 0.000 0.444 707 K N 0.556 120.851 120.400 -0.175 0.000 2.453 707 K HA 0.003 4.322 4.320 -0.001 0.000 0.280 707 K C -0.303 176.250 176.600 -0.077 0.000 1.045 707 K CA 0.363 56.594 56.287 -0.093 0.000 1.059 707 K CB 0.216 32.673 32.500 -0.072 0.000 0.901 707 K HN 0.453 nan 8.250 nan 0.000 0.475 708 S N 2.785 118.453 115.700 -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 -0.044 0.000 0.931 708 S CB 1.581 64.760 63.200 -0.036 0.000 1.093 708 S HN 0.366 nan 8.310 nan 0.000 0.488 709 V N 3.229 123.123 119.914 -0.034 0.000 2.238 709 V HA -0.009 4.111 4.120 -0.001 0.000 0.235 709 V C 0.796 176.873 176.094 -0.029 0.000 1.037 709 V CA 1.484 63.765 62.300 -0.032 0.000 0.991 709 V CB -0.865 30.936 31.823 -0.038 0.000 0.638 709 V HN 0.836 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 5.217 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 52.428 53.050 -0.036 0.000 0.940 710 N CB 1.972 40.424 38.487 -0.058 0.000 1.200 710 N HN 0.084 nan 8.380 nan 0.000 0.511 711 V N 1.377 121.286 119.914 -0.009 0.000 2.530 711 V HA 0.044 4.163 4.120 -0.001 0.000 0.282 711 V C -0.063 176.043 176.094 0.020 0.000 1.048 711 V CA -0.434 61.880 62.300 0.024 0.000 0.997 711 V CB 0.767 32.623 31.823 0.056 0.000 0.987 711 V HN 0.615 nan 8.190 nan 0.000 0.477 712 D N 4.639 125.073 120.400 0.057 0.000 2.487 712 D HA 0.106 4.746 4.640 -0.001 0.000 0.243 712 D C 0.109 176.532 176.300 0.206 0.000 1.154 712 D CA 0.679 54.713 54.000 0.057 0.000 0.876 712 D CB 0.015 40.940 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 -0.082 0.000 2.563 713 F HA -0.266 4.261 4.527 -0.001 0.000 0.351 713 F C 0.314 176.094 175.800 -0.033 0.000 1.086 713 F CA 0.351 58.265 58.000 -0.143 0.000 1.174 713 F CB -1.735 37.304 39.000 0.065 0.000 1.590 713 F HN 0.166 nan 8.300 nan 0.000 0.808 714 T N -0.761 113.723 114.554 -0.117 0.000 2.786 714 T HA 0.607 4.957 4.350 -0.001 0.000 0.316 714 T C -0.175 174.455 174.700 -0.115 0.000 1.503 714 T CA -0.464 61.650 62.100 0.023 0.000 1.019 714 T CB 1.928 70.823 68.868 0.046 0.000 1.415 714 T HN 0.495 nan 8.240 nan 0.000 0.496 715 V N 0.360 120.213 119.914 -0.101 0.000 3.185 715 V HA 0.637 4.757 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 -0.374 61.841 62.300 -0.141 0.000 1.107 715 V CB 0.397 32.111 31.823 -0.181 0.000 1.061 715 V HN 0.996 nan 8.190 nan 0.000 0.480 716 D N 1.084 121.435 120.400 -0.082 0.000 2.509 716 D HA 0.243 4.883 4.640 -0.001 0.000 0.275 716 D C 1.393 177.669 176.300 -0.040 0.000 1.189 716 D CA 0.359 54.322 54.000 -0.061 0.000 1.098 716 D CB -0.251 40.509 40.800 -0.067 0.000 1.177 716 D HN 0.688 nan 8.370 nan 0.000 0.599 717 T N -2.969 111.565 114.554 -0.033 0.000 2.915 717 T HA -0.121 4.228 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 1.275 63.362 62.100 -0.022 0.000 1.132 717 T CB -0.770 68.086 68.868 -0.021 0.000 0.878 717 T HN 0.543 nan 8.240 nan 0.000 0.479 718 N N 0.254 118.941 118.700 -0.021 0.000 2.291 718 N HA 0.413 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 0.293 38.772 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 -0.028 0.000 1.115 719 G CA -0.004 45.082 45.100 -0.023 0.000 1.122 719 G HN 0.343 nan 8.290 nan 0.000 0.522 720 V N 1.901 121.783 119.914 -0.053 0.000 2.488 720 V HA 0.412 4.531 4.120 -0.001 0.000 0.293 720 V C 0.018 176.068 176.094 -0.074 0.000 1.027 720 V CA -1.343 60.932 62.300 -0.042 0.000 0.862 720 V CB 1.516 33.318 31.823 -0.035 0.000 1.008 720 V HN 0.564 nan 8.190 nan 0.000 0.428 721 Y N 4.416 124.583 120.300 -0.220 0.000 2.511 721 Y HA 0.461 5.011 4.550 -0.001 0.000 0.332 721 Y C 0.718 176.533 175.900 -0.142 0.000 1.177 721 Y CA 0.265 58.212 58.100 -0.255 0.000 1.422 721 Y CB 1.015 39.300 38.460 -0.291 0.000 1.271 721 Y HN 0.729 nan 8.280 nan 0.000 0.550 722 S N 4.370 119.633 115.700 -0.728 0.000 2.619 722 S HA 0.413 4.883 4.470 -0.001 0.000 0.280 722 S C -1.507 172.640 174.600 -0.755 0.000 1.150 722 S CA -1.197 56.672 58.200 -0.552 0.000 0.978 722 S CB 1.404 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 3.092 122.957 120.200 -0.558 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 -2.002 54.036 56.400 -0.603 0.000 0.833 723 E CB 0.460 30.045 29.700 -0.191 0.000 1.077 723 E HN 0.355 nan 8.360 nan 0.000 0.397 724 P HA -0.216 nan 4.420 nan 0.000 0.208 724 P C 0.202 177.339 177.300 -0.272 0.000 1.180 724 P CA 1.519 64.322 63.100 -0.495 0.000 0.935 724 P CB 0.182 31.559 31.700 -0.537 0.000 0.785 725 R N -1.616 118.774 120.500 -0.183 0.000 2.892 725 R HA 0.616 4.956 4.340 -0.001 0.000 0.265 725 R C -2.950 173.406 176.300 0.092 0.000 1.025 725 R CA -2.323 53.785 56.100 0.015 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 0.198 nan 4.420 nan 0.000 0.274 726 P C -0.697 176.764 177.300 0.268 0.000 1.231 726 P CA -0.368 62.792 63.100 0.099 0.000 0.790 726 P CB 0.523 32.250 31.700 0.044 0.000 0.951 727 I N 1.879 122.644 120.570 0.325 0.000 2.382 727 I HA 0.302 4.472 4.170 -0.001 0.000 0.286 727 I C 1.167 177.645 176.117 0.601 0.000 1.002 727 I CA -0.313 61.214 61.300 0.379 0.000 1.135 727 I CB 0.754 38.851 38.000 0.162 0.000 1.288 727 I HN 0.418 nan 8.210 nan 0.000 0.448 728 G N 3.527 112.679 108.800 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 0.545 175.616 174.900 0.284 0.000 1.302 728 G CA 0.145 45.461 45.100 0.360 0.000 1.002 728 G HN 0.577 nan 8.290 nan 0.000 0.519 729 T N -1.402 113.242 114.554 0.150 0.000 2.986 729 T HA 0.176 4.526 4.350 -0.001 0.000 0.264 729 T C 0.912 175.722 174.700 0.183 0.000 0.964 729 T CA -0.221 61.944 62.100 0.108 0.000 0.895 729 T CB 0.022 68.960 68.868 0.117 0.000 1.163 729 T HN 0.362 nan 8.240 nan 0.000 0.517 730 R N 1.205 121.801 120.500 0.160 0.000 2.391 730 R HA 0.344 4.684 4.340 -0.001 0.000 0.310 730 R C -0.592 175.744 176.300 0.060 0.000 1.174 730 R CA -0.167 55.964 56.100 0.052 0.000 1.118 730 R CB 0.375 30.613 30.300 -0.105 0.000 1.134 730 R HN 0.327 nan 8.270 nan 0.000 0.524 731 Y N 0.598 120.922 120.300 0.041 0.000 2.452 731 Y HA 0.238 4.787 4.550 -0.001 0.000 0.262 731 Y C 0.463 176.419 175.900 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 0.736 122.120 121.223 0.268 0.000 2.334 732 L HA 0.468 4.807 4.340 -0.001 0.000 0.275 732 L C 0.170 177.137 176.870 0.163 0.000 1.036 732 L CA -0.763 54.263 54.840 0.309 0.000 0.807 732 L CB 1.563 43.967 42.059 0.576 0.000 1.231 732 L HN 0.007 nan 8.230 nan 0.000 0.438 733 T N -0.229 114.425 114.554 0.167 0.000 2.794 733 T HA 0.573 4.922 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 2.030 70.939 68.868 0.069 0.000 0.939 733 T HN 0.591 nan 8.240 nan 0.000 0.449 734 R N 2.088 122.400 120.500 -0.312 0.000 2.807 734 R HA 0.476 4.816 4.340 -0.001 0.000 0.276 734 R C -0.728 175.501 176.300 -0.117 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 0.713 nan 8.270 nan 0.000 0.471 735 N N 0.955 119.624 118.700 -0.052 0.000 2.374 735 N HA 0.344 5.084 4.740 -0.001 0.000 0.284 735 N C -0.219 175.322 175.510 0.052 0.000 1.280 735 N CA -0.268 52.796 53.050 0.025 0.000 0.963 735 N CB 0.326 38.822 38.487 0.013 0.000 1.141 735 N HN 0.361 nan 8.380 nan 0.000 0.565 736 L N 0.000 121.219 121.223 -0.006 0.000 2.949 736 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 736 L CA 0.000 54.781 54.840 -0.098 0.000 0.813 736 L CB 0.000 41.952 42.059 -0.178 0.000 0.961 736 L HN 0.000 nan 8.230 nan 0.000 0.502