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 3kic_1_A 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 0.000 174.926 174.900 0.044 0.000 0.946 217 G CA 0.000 45.116 45.100 0.026 0.000 0.502 218 A N 2.533 125.374 122.820 0.035 0.000 2.446 218 A HA 0.825 5.145 4.320 -0.001 0.000 0.282 218 A C -0.995 176.608 177.584 0.032 0.000 1.102 218 A CA -0.576 51.485 52.037 0.040 0.000 0.737 218 A CB 1.691 20.712 19.000 0.035 0.000 1.212 218 A HN 0.448 nan 8.150 nan 0.000 0.434 219 D N 0.604 121.026 120.400 0.038 0.000 2.808 219 D HA 0.703 5.342 4.640 -0.001 0.000 0.249 219 D C 0.699 177.018 176.300 0.031 0.000 1.151 219 D CA 0.219 54.238 54.000 0.031 0.000 1.089 219 D CB 1.415 42.234 40.800 0.032 0.000 1.295 219 D HN 0.670 nan 8.370 nan 0.000 0.631 220 G N -0.747 108.069 108.800 0.027 0.000 2.642 220 G HA2 0.433 4.393 3.960 -0.001 0.000 0.291 220 G HA3 0.433 4.393 3.960 -0.001 0.000 0.291 220 G C 0.881 175.796 174.900 0.024 0.000 1.345 220 G CA -0.298 44.816 45.100 0.023 0.000 1.043 220 G HN 0.205 nan 8.290 nan 0.000 0.528 221 V N 0.549 120.474 119.914 0.018 0.000 2.255 221 V HA 0.034 4.153 4.120 -0.001 0.000 0.243 221 V C 2.526 178.629 176.094 0.013 0.000 1.038 221 V CA 2.118 64.427 62.300 0.015 0.000 1.008 221 V CB -0.649 31.179 31.823 0.009 0.000 0.645 221 V HN 0.760 nan 8.190 nan 0.000 0.449 222 G N 0.751 109.558 108.800 0.011 0.000 3.474 222 G HA2 0.148 4.107 3.960 -0.001 0.000 0.269 222 G HA3 0.148 4.107 3.960 -0.001 0.000 0.269 222 G C -0.029 174.879 174.900 0.014 0.000 1.339 222 G CA 0.021 45.127 45.100 0.010 0.000 1.258 222 G HN 0.471 nan 8.290 nan 0.000 0.560 223 N N -0.015 118.697 118.700 0.020 0.000 2.519 223 N HA 0.266 5.005 4.740 -0.001 0.000 0.291 223 N C -0.057 175.475 175.510 0.038 0.000 1.107 223 N CA -0.524 52.541 53.050 0.025 0.000 0.904 223 N CB 1.403 39.903 38.487 0.022 0.000 1.500 223 N HN 0.036 nan 8.380 nan 0.000 0.510 224 S N 1.542 117.268 115.700 0.043 0.000 2.549 224 S HA 0.084 4.554 4.470 -0.001 0.000 0.286 224 S C 0.837 175.482 174.600 0.075 0.000 1.314 224 S CA -0.222 58.020 58.200 0.070 0.000 1.062 224 S CB 0.666 63.911 63.200 0.075 0.000 0.865 224 S HN 0.611 nan 8.310 nan 0.000 0.498 225 S N 1.112 116.884 115.700 0.120 0.000 2.618 225 S HA 0.580 5.050 4.470 -0.001 0.000 0.242 225 S C 0.655 175.300 174.600 0.075 0.000 0.972 225 S CA -0.254 58.014 58.200 0.113 0.000 1.004 225 S CB -0.696 62.597 63.200 0.155 0.000 0.778 225 S HN 1.544 nan 8.310 nan 0.000 0.459 226 G N 0.359 109.167 108.800 0.014 0.000 2.328 226 G HA2 0.325 4.284 3.960 -0.001 0.000 0.299 226 G HA3 0.325 4.284 3.960 -0.001 0.000 0.299 226 G C -1.901 172.900 174.900 -0.166 0.000 1.435 226 G CA -1.072 43.852 45.100 -0.293 0.000 0.865 226 G HN 0.281 nan 8.290 nan 0.000 0.601 227 N N -1.028 117.486 118.700 -0.311 0.000 2.545 227 N HA 0.466 5.206 4.740 -0.001 0.000 0.289 227 N C -1.010 174.406 175.510 -0.157 0.000 1.279 227 N CA -0.849 52.094 53.050 -0.178 0.000 0.824 227 N CB 2.208 40.518 38.487 -0.294 0.000 1.395 227 N HN 0.532 nan 8.380 nan 0.000 0.526 228 W N 2.576 123.724 121.300 -0.253 0.000 2.367 228 W HA 0.190 4.849 4.660 -0.001 0.000 0.329 228 W C -1.056 175.293 176.519 -0.284 0.000 1.066 228 W CA 0.025 57.295 57.345 -0.126 0.000 1.435 228 W CB -0.087 29.343 29.460 -0.049 0.000 1.296 228 W HN 0.479 nan 8.180 nan 0.000 0.401 229 H N 5.318 124.293 119.070 -0.158 0.000 2.700 229 H HA 0.181 4.736 4.556 -0.001 0.000 0.269 229 H C -0.207 174.994 175.328 -0.211 0.000 1.222 229 H CA -0.216 55.762 56.048 -0.117 0.000 1.254 229 H CB 0.972 30.659 29.762 -0.126 0.000 1.413 229 H HN 0.165 nan 8.280 nan 0.000 0.507 230 C N 4.108 123.408 119.300 0.002 0.000 2.437 230 C HA 0.387 4.846 4.460 -0.001 0.000 0.307 230 C C -0.542 174.502 174.990 0.089 0.000 1.093 230 C CA -0.277 58.747 59.018 0.009 0.000 1.463 230 C CB -0.708 27.093 27.740 0.102 0.000 1.926 230 C HN 0.874 nan 8.230 nan 0.000 0.420 231 D N 1.919 122.346 120.400 0.046 0.000 2.665 231 D HA 0.712 5.352 4.640 -0.001 0.000 0.287 231 D C -1.289 175.012 176.300 0.002 0.000 1.266 231 D CA 0.179 54.208 54.000 0.048 0.000 0.830 231 D CB 2.294 43.134 40.800 0.066 0.000 1.356 231 D HN 0.595 nan 8.370 nan 0.000 0.437 232 S N 0.504 116.207 115.700 0.005 0.000 2.562 232 S HA 0.703 5.173 4.470 -0.001 0.000 0.274 232 S C -1.862 172.722 174.600 -0.026 0.000 1.160 232 S CA -0.811 57.347 58.200 -0.069 0.000 0.933 232 S CB 1.561 64.692 63.200 -0.116 0.000 1.100 232 S HN 0.422 nan 8.310 nan 0.000 0.468 233 Q N 1.421 121.161 119.800 -0.101 0.000 2.416 233 Q HA 0.746 5.086 4.340 -0.001 0.000 0.281 233 Q C -1.865 174.086 176.000 -0.082 0.000 1.067 233 Q CA -0.502 55.317 55.803 0.027 0.000 0.809 233 Q CB 0.485 29.267 28.738 0.073 0.000 1.418 233 Q HN 0.743 nan 8.270 nan 0.000 0.411 234 W N 1.420 122.738 121.300 0.031 0.000 2.512 234 W HA 0.577 5.237 4.660 -0.001 0.000 0.335 234 W C -0.061 176.475 176.519 0.028 0.000 1.088 234 W CA -0.777 56.589 57.345 0.035 0.000 1.236 234 W CB 1.010 30.485 29.460 0.025 0.000 1.307 234 W HN 0.487 nan 8.180 nan 0.000 0.567 235 L N 3.300 124.665 121.223 0.235 0.000 3.014 235 L HA 0.244 4.584 4.340 -0.001 0.000 0.263 235 L C 1.626 178.579 176.870 0.140 0.000 1.207 235 L CA 0.719 55.646 54.840 0.145 0.000 1.017 235 L CB -0.675 41.436 42.059 0.086 0.000 1.360 235 L HN 0.999 nan 8.230 nan 0.000 0.560 236 G N 1.048 109.963 108.800 0.192 0.000 2.451 236 G HA2 -0.434 3.526 3.960 -0.001 0.000 0.253 236 G HA3 -0.434 3.526 3.960 -0.001 0.000 0.253 236 G C 0.940 175.910 174.900 0.116 0.000 1.033 236 G CA 1.108 46.286 45.100 0.129 0.000 0.633 236 G HN 0.396 nan 8.290 nan 0.000 0.537 237 D N 0.025 120.496 120.400 0.118 0.000 2.449 237 D HA 0.225 4.865 4.640 -0.001 0.000 0.210 237 D C 1.099 177.489 176.300 0.151 0.000 1.094 237 D CA 0.937 55.003 54.000 0.110 0.000 0.846 237 D CB 0.248 41.094 40.800 0.077 0.000 1.003 237 D HN 0.849 nan 8.370 nan 0.000 0.504 238 R N -1.606 118.990 120.500 0.159 0.000 2.741 238 R HA 0.573 4.913 4.340 -0.001 0.000 0.276 238 R C -2.040 174.321 176.300 0.102 0.000 1.028 238 R CA -0.993 55.201 56.100 0.156 0.000 0.865 238 R CB 1.044 31.410 30.300 0.109 0.000 1.268 238 R HN -0.121 nan 8.270 nan 0.000 0.475 239 V N 1.666 121.602 119.914 0.037 0.000 2.760 239 V HA 0.595 4.714 4.120 -0.001 0.000 0.309 239 V C -1.601 174.442 176.094 -0.084 0.000 1.077 239 V CA -0.868 61.300 62.300 -0.219 0.000 0.910 239 V CB 1.940 33.320 31.823 -0.739 0.000 1.008 239 V HN 0.678 nan 8.190 nan 0.000 0.424 240 I N 5.713 126.184 120.570 -0.164 0.000 2.362 240 I HA 0.538 4.708 4.170 -0.001 0.000 0.289 240 I C 0.405 176.440 176.117 -0.137 0.000 0.994 240 I CA 0.016 61.264 61.300 -0.086 0.000 1.158 240 I CB 2.055 40.006 38.000 -0.082 0.000 1.315 240 I HN 0.792 nan 8.210 nan 0.000 0.451 241 T N 1.448 115.959 114.554 -0.071 0.000 2.771 241 T HA 0.724 5.074 4.350 -0.001 0.000 0.281 241 T C -0.124 174.553 174.700 -0.038 0.000 0.982 241 T CA -0.633 61.398 62.100 -0.116 0.000 0.978 241 T CB 1.022 69.760 68.868 -0.217 0.000 0.930 241 T HN 0.474 nan 8.240 nan 0.000 0.447 242 T N 2.439 116.966 114.554 -0.045 0.000 2.829 242 T HA 0.676 5.025 4.350 -0.001 0.000 0.280 242 T C -0.536 174.137 174.700 -0.045 0.000 0.999 242 T CA -0.808 61.268 62.100 -0.040 0.000 0.983 242 T CB 1.641 70.482 68.868 -0.045 0.000 0.968 242 T HN 0.701 nan 8.240 nan 0.000 0.446 243 S N 1.603 117.260 115.700 -0.072 0.000 2.619 243 S HA 0.661 5.130 4.470 -0.001 0.000 0.280 243 S C -0.906 173.561 174.600 -0.222 0.000 1.150 243 S CA -0.555 57.573 58.200 -0.120 0.000 0.978 243 S CB 0.973 64.122 63.200 -0.085 0.000 1.041 243 S HN 0.712 nan 8.310 nan 0.000 0.485 244 T N 5.431 119.736 114.554 -0.415 0.000 2.863 244 T HA 0.708 5.058 4.350 -0.001 0.000 0.285 244 T C -0.803 173.535 174.700 -0.603 0.000 1.009 244 T CA -0.946 60.745 62.100 -0.682 0.000 0.989 244 T CB 1.139 69.183 68.868 -1.373 0.000 1.004 244 T HN 0.486 nan 8.240 nan 0.000 0.455 245 R N 1.015 121.373 120.500 -0.237 0.000 2.774 245 R HA 0.604 4.944 4.340 -0.001 0.000 0.272 245 R C -0.920 175.566 176.300 0.311 0.000 1.000 245 R CA -0.812 55.397 56.100 0.182 0.000 0.906 245 R CB 1.649 32.145 30.300 0.326 0.000 1.227 245 R HN 0.574 nan 8.270 nan 0.000 0.468 246 T N 2.708 117.491 114.554 0.382 0.000 2.837 246 T HA 0.544 4.894 4.350 -0.001 0.000 0.285 246 T C -0.296 174.472 174.700 0.114 0.000 0.984 246 T CA -0.561 61.634 62.100 0.160 0.000 1.049 246 T CB 0.641 69.565 68.868 0.094 0.000 0.947 246 T HN 0.462 nan 8.240 nan 0.000 0.472 247 W N 0.571 121.800 121.300 -0.119 0.000 2.864 247 W HA 0.820 5.480 4.660 -0.001 0.000 0.343 247 W C -1.443 174.900 176.519 -0.293 0.000 1.109 247 W CA -1.690 55.351 57.345 -0.507 0.000 1.192 247 W CB 1.352 30.500 29.460 -0.521 0.000 1.426 247 W HN 0.736 nan 8.180 nan 0.000 0.529 248 A N 2.947 125.765 122.820 -0.003 0.000 2.386 248 A HA 0.789 5.109 4.320 -0.001 0.000 0.311 248 A C -2.156 175.547 177.584 0.199 0.000 1.068 248 A CA -0.789 51.304 52.037 0.093 0.000 0.743 248 A CB 2.004 21.010 19.000 0.011 0.000 1.258 248 A HN 0.692 nan 8.150 nan 0.000 0.429 249 L N 3.674 125.066 121.223 0.281 0.000 2.404 249 L HA 0.672 5.012 4.340 -0.001 0.000 0.272 249 L C -2.647 174.276 176.870 0.088 0.000 0.980 249 L CA -1.555 53.386 54.840 0.169 0.000 0.836 249 L CB 2.130 44.316 42.059 0.210 0.000 1.238 249 L HN 0.451 nan 8.230 nan 0.000 0.408 250 P HA 0.382 nan 4.420 nan 0.000 0.312 250 P C -1.034 176.104 177.300 -0.271 0.000 1.308 250 P CA -0.384 62.577 63.100 -0.232 0.000 0.743 250 P CB 0.575 31.970 31.700 -0.508 0.000 1.364 251 T N 0.131 114.495 114.554 -0.317 0.000 2.929 251 T HA 0.355 4.705 4.350 -0.001 0.000 0.331 251 T C -0.491 173.992 174.700 -0.363 0.000 1.120 251 T CA -0.041 61.864 62.100 -0.326 0.000 0.973 251 T CB -0.992 67.642 68.868 -0.391 0.000 1.036 251 T HN 0.108 nan 8.240 nan 0.000 0.502 252 Y N 2.146 122.346 120.300 -0.167 0.000 2.397 252 Y HA 0.124 4.673 4.550 -0.001 0.000 0.335 252 Y C 1.721 177.538 175.900 -0.139 0.000 1.213 252 Y CA 0.040 58.068 58.100 -0.121 0.000 1.391 252 Y CB 0.305 38.724 38.460 -0.068 0.000 1.293 252 Y HN 0.693 nan 8.280 nan 0.000 0.557 253 N N 1.728 120.486 118.700 0.096 0.000 2.690 253 N HA -0.412 4.328 4.740 -0.001 0.000 0.249 253 N C -0.192 175.309 175.510 -0.015 0.000 1.125 253 N CA 0.807 53.880 53.050 0.039 0.000 0.794 253 N CB -0.574 37.939 38.487 0.043 0.000 1.152 253 N HN 0.785 nan 8.380 nan 0.000 0.571 254 N N -0.063 118.566 118.700 -0.117 0.000 2.735 254 N HA -0.202 4.537 4.740 -0.001 0.000 0.248 254 N C -0.577 174.845 175.510 -0.147 0.000 1.083 254 N CA 2.028 54.974 53.050 -0.173 0.000 0.703 254 N CB -1.730 36.753 38.487 -0.007 0.000 1.005 254 N HN 0.764 nan 8.380 nan 0.000 0.550 255 H N -2.870 116.153 119.070 -0.078 0.000 2.899 255 H HA -0.189 4.367 4.556 -0.001 0.000 0.282 255 H C -0.181 175.147 175.328 0.000 0.000 1.198 255 H CA 1.125 57.094 56.048 -0.133 0.000 1.140 255 H CB -1.206 28.340 29.762 -0.361 0.000 1.317 255 H HN 0.302 nan 8.280 nan 0.000 0.375 256 L N 0.399 121.692 121.223 0.117 0.000 2.362 256 L HA 0.445 4.785 4.340 -0.001 0.000 0.271 256 L C -0.157 176.807 176.870 0.156 0.000 1.002 256 L CA -1.010 53.946 54.840 0.193 0.000 0.818 256 L CB 1.218 43.385 42.059 0.180 0.000 1.298 256 L HN 0.029 nan 8.230 nan 0.000 0.420 257 Y N 2.239 122.682 120.300 0.239 0.000 2.404 257 Y HA 0.292 4.841 4.550 -0.001 0.000 0.344 257 Y C -0.004 176.037 175.900 0.235 0.000 0.995 257 Y CA -0.215 58.058 58.100 0.288 0.000 1.201 257 Y CB 0.841 39.538 38.460 0.394 0.000 1.151 257 Y HN 0.297 nan 8.280 nan 0.000 0.517 258 K N 3.002 123.582 120.400 0.300 0.000 2.292 258 K HA 0.244 4.563 4.320 -0.001 0.000 0.257 258 K C -0.685 176.000 176.600 0.142 0.000 0.940 258 K CA -1.025 55.372 56.287 0.184 0.000 0.811 258 K CB 1.874 34.428 32.500 0.088 0.000 1.120 258 K HN 0.591 nan 8.250 nan 0.000 0.428 259 Q N 4.763 124.588 119.800 0.040 0.000 2.296 259 Q HA 0.247 4.587 4.340 -0.001 0.000 0.262 259 Q C -0.646 175.118 176.000 -0.394 0.000 0.981 259 Q CA -0.307 55.291 55.803 -0.341 0.000 0.905 259 Q CB 0.420 28.982 28.738 -0.294 0.000 1.186 259 Q HN 0.631 nan 8.270 nan 0.000 0.399 260 I N 0.725 120.926 120.570 -0.615 0.000 2.740 260 I HA 0.821 4.991 4.170 -0.001 0.000 0.303 260 I C -0.655 175.061 176.117 -0.669 0.000 1.044 260 I CA -0.712 60.317 61.300 -0.452 0.000 1.064 260 I CB 2.331 40.174 38.000 -0.261 0.000 1.249 260 I HN 0.771 nan 8.210 nan 0.000 0.433 261 S N 2.164 117.537 115.700 -0.545 0.000 2.724 261 S HA 0.529 4.999 4.470 -0.001 0.000 0.278 261 S C -0.568 173.641 174.600 -0.653 0.000 1.190 261 S CA -0.333 57.439 58.200 -0.713 0.000 0.860 261 S CB 0.805 63.892 63.200 -0.188 0.000 1.206 261 S HN 1.051 nan 8.310 nan 0.000 0.507 262 S N 0.963 116.410 115.700 -0.422 0.000 2.601 262 S HA 0.473 4.942 4.470 -0.001 0.000 0.271 262 S C -0.083 174.552 174.600 0.059 0.000 1.305 262 S CA -0.579 57.624 58.200 0.006 0.000 1.022 262 S CB 0.554 63.904 63.200 0.251 0.000 0.940 262 S HN 0.751 nan 8.310 nan 0.000 0.525 263 Q N 1.585 121.432 119.800 0.078 0.000 2.286 263 Q HA 0.068 4.408 4.340 -0.001 0.000 0.290 263 Q C -0.314 175.724 176.000 0.063 0.000 1.049 263 Q CA 0.422 56.253 55.803 0.047 0.000 0.923 263 Q CB 0.451 29.206 28.738 0.028 0.000 1.183 263 Q HN 0.818 nan 8.270 nan 0.000 0.383 264 S N 3.094 118.824 115.700 0.050 0.000 2.945 264 S HA 0.129 4.599 4.470 -0.001 0.000 0.344 264 S C 0.834 175.470 174.600 0.060 0.000 1.066 264 S CA 0.666 58.900 58.200 0.057 0.000 1.721 264 S CB -0.931 62.287 63.200 0.029 0.000 1.330 264 S HN 0.820 nan 8.310 nan 0.000 0.623 265 G N 1.859 110.722 108.800 0.106 0.000 2.248 265 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.263 265 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.263 265 G C 0.590 175.500 174.900 0.017 0.000 1.082 265 G CA 0.085 45.232 45.100 0.079 0.000 0.863 265 G HN 0.897 nan 8.290 nan 0.000 0.495 266 A N -1.206 121.603 122.820 -0.019 0.000 1.924 266 A HA 0.766 5.086 4.320 -0.001 0.000 0.211 266 A C 1.313 178.829 177.584 -0.113 0.000 1.198 266 A CA 1.879 53.883 52.037 -0.055 0.000 0.657 266 A CB 0.491 19.466 19.000 -0.042 0.000 0.852 266 A HN 1.503 nan 8.150 nan 0.000 0.454 267 S N -2.507 113.064 115.700 -0.215 0.000 2.547 267 S HA 0.346 4.816 4.470 -0.001 0.000 0.270 267 S C 0.196 174.510 174.600 -0.477 0.000 1.150 267 S CA -0.314 57.728 58.200 -0.263 0.000 0.850 267 S CB 1.305 64.367 63.200 -0.229 0.000 1.118 267 S HN 0.464 nan 8.310 nan 0.000 0.461 268 N N 0.819 119.373 118.700 -0.243 0.000 2.508 268 N HA 0.008 4.748 4.740 -0.001 0.000 0.186 268 N C -0.019 175.515 175.510 0.041 0.000 1.034 268 N CA 0.298 53.317 53.050 -0.052 0.000 0.885 268 N CB 0.062 38.605 38.487 0.092 0.000 1.135 268 N HN 0.525 nan 8.380 nan 0.000 0.435 269 D N 0.643 121.038 120.400 -0.008 0.000 2.363 269 D HA 0.012 4.652 4.640 -0.001 0.000 0.226 269 D C 0.008 176.310 176.300 0.004 0.000 1.020 269 D CA 0.621 54.648 54.000 0.045 0.000 0.892 269 D CB -0.250 40.592 40.800 0.071 0.000 0.900 269 D HN 0.463 nan 8.370 nan 0.000 0.531 270 N N -0.588 118.073 118.700 -0.065 0.000 2.200 270 N HA -0.003 4.736 4.740 -0.001 0.000 0.224 270 N C -0.021 175.525 175.510 0.060 0.000 1.179 270 N CA -0.373 52.641 53.050 -0.060 0.000 0.877 270 N CB 0.709 39.109 38.487 -0.145 0.000 1.072 270 N HN 0.059 nan 8.380 nan 0.000 0.519 271 H N 1.311 120.465 119.070 0.141 0.000 2.928 271 H HA 0.026 4.582 4.556 -0.001 0.000 0.338 271 H C -0.469 175.042 175.328 0.306 0.000 1.047 271 H CA 0.652 56.820 56.048 0.201 0.000 1.435 271 H CB 0.175 30.002 29.762 0.108 0.000 1.428 271 H HN 0.290 nan 8.280 nan 0.000 0.590 272 Y N 1.388 121.811 120.300 0.206 0.000 2.656 272 Y HA 0.513 5.062 4.550 -0.001 0.000 0.334 272 Y C -2.159 173.860 175.900 0.198 0.000 1.179 272 Y CA -1.377 56.816 58.100 0.156 0.000 1.050 272 Y CB 1.516 40.024 38.460 0.080 0.000 1.308 272 Y HN 0.382 nan 8.280 nan 0.000 0.456 273 F N 1.147 121.028 119.950 -0.116 0.000 2.596 273 F HA 0.842 5.369 4.527 -0.001 0.000 0.311 273 F C -0.352 175.357 175.800 -0.150 0.000 1.116 273 F CA 0.001 57.845 58.000 -0.261 0.000 0.957 273 F CB 2.087 40.984 39.000 -0.172 0.000 1.250 273 F HN 1.076 nan 8.300 nan 0.000 0.444 274 G N 2.808 111.041 108.800 -0.945 0.000 2.500 274 G HA2 0.451 4.410 3.960 -0.001 0.000 0.299 274 G HA3 0.451 4.410 3.960 -0.001 0.000 0.299 274 G C -2.439 171.801 174.900 -1.099 0.000 1.242 274 G CA -0.599 44.083 45.100 -0.697 0.000 0.859 274 G HN 0.552 nan 8.290 nan 0.000 0.481 275 Y N -0.891 119.021 120.300 -0.647 0.000 2.581 275 Y HA 0.756 5.305 4.550 -0.001 0.000 0.345 275 Y C 0.144 175.832 175.900 -0.354 0.000 1.036 275 Y CA -0.768 57.073 58.100 -0.432 0.000 1.042 275 Y CB 2.658 41.009 38.460 -0.181 0.000 1.289 275 Y HN 0.557 nan 8.280 nan 0.000 0.471 276 S N 1.096 116.828 115.700 0.052 0.000 2.552 276 S HA 0.596 5.065 4.470 -0.001 0.000 0.314 276 S C -0.715 173.932 174.600 0.077 0.000 1.099 276 S CA -0.572 57.637 58.200 0.015 0.000 1.070 276 S CB 0.324 63.519 63.200 -0.010 0.000 0.998 276 S HN 0.701 nan 8.310 nan 0.000 0.474 277 T N 2.338 116.926 114.554 0.057 0.000 2.945 277 T HA 0.601 4.951 4.350 -0.001 0.000 0.286 277 T C -2.536 172.142 174.700 -0.037 0.000 1.025 277 T CA -2.098 59.954 62.100 -0.081 0.000 1.039 277 T CB 1.402 70.421 68.868 0.252 0.000 1.068 277 T HN 0.297 nan 8.240 nan 0.000 0.497 278 P HA 0.195 nan 4.420 nan 0.000 0.249 278 P C -0.864 176.428 177.300 -0.013 0.000 1.241 278 P CA -0.120 62.950 63.100 -0.049 0.000 0.781 278 P CB -0.179 31.446 31.700 -0.125 0.000 1.088 279 W N 0.423 121.731 121.300 0.014 0.000 2.438 279 W HA 0.570 5.229 4.660 -0.001 0.000 0.324 279 W C 1.040 177.579 176.519 0.032 0.000 1.119 279 W CA -0.080 57.292 57.345 0.046 0.000 1.221 279 W CB 0.987 30.469 29.460 0.038 0.000 1.253 279 W HN -0.157 nan 8.180 nan 0.000 0.555 280 G N 1.127 110.055 108.800 0.214 0.000 2.557 280 G HA2 0.696 4.656 3.960 -0.001 0.000 0.302 280 G HA3 0.696 4.656 3.960 -0.001 0.000 0.302 280 G C -1.868 173.080 174.900 0.080 0.000 1.311 280 G CA -0.622 44.507 45.100 0.049 0.000 1.030 280 G HN 0.600 nan 8.290 nan 0.000 0.509 281 Y N -3.088 117.078 120.300 -0.224 0.000 2.592 281 Y HA 0.683 5.233 4.550 -0.001 0.000 0.334 281 Y C -1.829 173.892 175.900 -0.299 0.000 1.136 281 Y CA -2.086 55.865 58.100 -0.247 0.000 1.042 281 Y CB 0.950 39.281 38.460 -0.215 0.000 1.325 281 Y HN 0.389 nan 8.280 nan 0.000 0.457 282 F N 1.957 121.899 119.950 -0.013 0.000 2.404 282 F HA 0.501 5.028 4.527 -0.001 0.000 0.339 282 F C -0.166 175.675 175.800 0.068 0.000 1.105 282 F CA 0.004 58.032 58.000 0.048 0.000 1.087 282 F CB 1.437 40.536 39.000 0.165 0.000 1.143 282 F HN 0.586 nan 8.300 nan 0.000 0.491 283 D N 2.685 123.214 120.400 0.215 0.000 2.780 283 D HA 0.429 5.068 4.640 -0.001 0.000 0.242 283 D C -0.872 175.495 176.300 0.112 0.000 1.135 283 D CA -0.501 53.517 54.000 0.029 0.000 0.859 283 D CB 1.153 41.976 40.800 0.038 0.000 1.530 283 D HN 0.292 nan 8.370 nan 0.000 0.493 284 F N 1.061 121.106 119.950 0.158 0.000 2.608 284 F HA 0.390 4.917 4.527 -0.001 0.000 0.383 284 F C 0.247 176.126 175.800 0.132 0.000 1.371 284 F CA -0.825 57.254 58.000 0.131 0.000 1.123 284 F CB -0.917 38.237 39.000 0.258 0.000 1.207 284 F HN 0.273 nan 8.300 nan 0.000 0.512 285 N N 1.313 119.855 118.700 -0.264 0.000 2.375 285 N HA 0.181 4.921 4.740 -0.001 0.000 0.220 285 N C -0.196 175.107 175.510 -0.345 0.000 1.170 285 N CA -0.096 52.562 53.050 -0.654 0.000 0.833 285 N CB 0.257 38.159 38.487 -0.976 0.000 1.069 285 N HN 0.349 nan 8.380 nan 0.000 0.479 286 R N -0.538 119.860 120.500 -0.169 0.000 2.637 286 R HA 0.222 4.562 4.340 -0.001 0.000 0.291 286 R C 0.075 176.305 176.300 -0.117 0.000 0.963 286 R CA -0.643 55.319 56.100 -0.229 0.000 0.901 286 R CB 0.958 30.973 30.300 -0.475 0.000 1.160 286 R HN 0.122 nan 8.270 nan 0.000 0.457 287 F N 0.907 120.874 119.950 0.028 0.000 2.171 287 F HA -0.169 4.358 4.527 -0.001 0.000 0.300 287 F C 2.252 178.154 175.800 0.170 0.000 1.090 287 F CA 1.619 59.751 58.000 0.219 0.000 1.293 287 F CB -0.065 38.914 39.000 -0.036 0.000 1.013 287 F HN 0.714 nan 8.300 nan 0.000 0.486 288 H N -2.951 116.240 119.070 0.200 0.000 2.563 288 H HA -0.010 4.545 4.556 -0.001 0.000 0.272 288 H C 1.679 177.050 175.328 0.071 0.000 1.005 288 H CA 0.404 56.516 56.048 0.107 0.000 1.171 288 H CB -1.451 28.337 29.762 0.043 0.000 1.351 288 H HN 0.236 nan 8.280 nan 0.000 0.602 289 C N 0.539 119.790 119.300 -0.083 0.000 2.448 289 C HA -0.002 4.458 4.460 -0.001 0.000 0.280 289 C C 1.732 176.480 174.990 -0.404 0.000 1.398 289 C CA 0.848 59.702 59.018 -0.272 0.000 1.774 289 C CB -0.632 26.805 27.740 -0.505 0.000 1.888 289 C HN 0.800 nan 8.230 nan 0.000 0.519 290 H N -2.924 116.244 119.070 0.164 0.000 2.545 290 H HA 0.225 4.780 4.556 -0.001 0.000 0.251 290 H C -0.041 175.212 175.328 -0.124 0.000 0.934 290 H CA 0.152 56.210 56.048 0.016 0.000 1.116 290 H CB -0.111 29.681 29.762 0.050 0.000 1.439 290 H HN 0.312 nan 8.280 nan 0.000 0.445 291 F N 3.498 123.602 119.950 0.256 0.000 2.411 291 F HA 0.209 4.736 4.527 -0.001 0.000 0.355 291 F C 1.107 176.993 175.800 0.144 0.000 1.117 291 F CA -0.804 57.310 58.000 0.189 0.000 1.139 291 F CB 1.081 40.261 39.000 0.300 0.000 1.120 291 F HN -0.019 nan 8.300 nan 0.000 0.493 292 S N 3.940 119.795 115.700 0.257 0.000 2.584 292 S HA 0.218 4.688 4.470 -0.001 0.000 0.270 292 S C -1.860 172.845 174.600 0.175 0.000 1.346 292 S CA -1.013 57.297 58.200 0.184 0.000 1.018 292 S CB 1.216 64.503 63.200 0.146 0.000 0.899 292 S HN 0.360 nan 8.310 nan 0.000 0.542 293 P HA -0.142 nan 4.420 nan 0.000 0.215 293 P C 1.735 179.020 177.300 -0.024 0.000 1.157 293 P CA 1.213 64.214 63.100 -0.166 0.000 0.874 293 P CB -0.057 31.406 31.700 -0.396 0.000 0.790 294 R N 0.399 120.930 120.500 0.051 0.000 2.103 294 R HA -0.163 4.176 4.340 -0.001 0.000 0.242 294 R C 1.774 178.150 176.300 0.127 0.000 1.142 294 R CA 1.996 58.144 56.100 0.080 0.000 0.960 294 R CB -1.656 28.704 30.300 0.101 0.000 0.858 294 R HN 0.120 nan 8.270 nan 0.000 0.439 295 D N -0.613 119.936 120.400 0.248 0.000 2.097 295 D HA -0.220 4.419 4.640 -0.001 0.000 0.195 295 D C 1.653 178.179 176.300 0.375 0.000 0.989 295 D CA 1.203 55.471 54.000 0.447 0.000 0.827 295 D CB -0.612 40.516 40.800 0.548 0.000 0.966 295 D HN 0.373 nan 8.370 nan 0.000 0.456 296 W N 2.042 123.373 121.300 0.051 0.000 2.325 296 W HA -0.241 4.419 4.660 -0.001 0.000 0.299 296 W C 2.155 178.522 176.519 -0.253 0.000 1.215 296 W CA 1.448 58.663 57.345 -0.217 0.000 1.244 296 W CB -0.095 29.193 29.460 -0.286 0.000 1.140 296 W HN 0.114 nan 8.180 nan 0.000 0.523 297 Q N 0.321 120.072 119.800 -0.083 0.000 2.084 297 Q HA -0.217 4.123 4.340 -0.001 0.000 0.202 297 Q C 2.387 178.255 176.000 -0.220 0.000 0.978 297 Q CA 1.830 57.520 55.803 -0.188 0.000 0.844 297 Q CB -0.199 28.498 28.738 -0.070 0.000 0.898 297 Q HN 0.266 nan 8.270 nan 0.000 0.426 298 R N 0.160 120.544 120.500 -0.193 0.000 2.081 298 R HA -0.125 4.214 4.340 -0.001 0.000 0.235 298 R C 2.479 178.562 176.300 -0.361 0.000 1.131 298 R CA 1.345 57.226 56.100 -0.366 0.000 0.960 298 R CB -0.482 29.414 30.300 -0.673 0.000 0.856 298 R HN 0.330 nan 8.270 nan 0.000 0.436 299 L N 0.786 121.884 121.223 -0.207 0.000 1.976 299 L HA -0.190 4.150 4.340 -0.001 0.000 0.209 299 L C 2.147 178.801 176.870 -0.360 0.000 1.071 299 L CA 1.277 55.986 54.840 -0.219 0.000 0.746 299 L CB -0.197 41.563 42.059 -0.499 0.000 0.890 299 L HN 0.133 nan 8.230 nan 0.000 0.432 300 I N 0.631 120.868 120.570 -0.554 0.000 2.208 300 I HA -0.301 3.869 4.170 -0.001 0.000 0.245 300 I C 1.797 177.782 176.117 -0.220 0.000 1.097 300 I CA 1.464 62.482 61.300 -0.469 0.000 1.363 300 I CB -1.565 36.057 38.000 -0.631 0.000 1.051 300 I HN 0.434 nan 8.210 nan 0.000 0.413 301 N N 0.933 119.504 118.700 -0.215 0.000 2.398 301 N HA -0.025 4.715 4.740 -0.001 0.000 0.188 301 N C 0.873 176.349 175.510 -0.057 0.000 1.122 301 N CA 0.352 53.339 53.050 -0.104 0.000 0.866 301 N CB -0.026 38.392 38.487 -0.115 0.000 0.970 301 N HN 0.452 nan 8.380 nan 0.000 0.462 302 N N -0.234 118.421 118.700 -0.075 0.000 2.113 302 N HA 0.094 4.834 4.740 -0.001 0.000 0.223 302 N C -0.797 174.686 175.510 -0.046 0.000 1.310 302 N CA -0.051 52.949 53.050 -0.083 0.000 0.896 302 N CB 0.916 39.311 38.487 -0.154 0.000 1.097 302 N HN 0.111 nan 8.380 nan 0.000 0.507 303 N N -0.221 118.511 118.700 0.053 0.000 2.346 303 N HA 0.146 4.886 4.740 -0.001 0.000 0.289 303 N C 0.277 175.998 175.510 0.352 0.000 1.027 303 N CA -0.435 52.692 53.050 0.128 0.000 0.864 303 N CB 1.681 40.251 38.487 0.138 0.000 1.370 303 N HN 0.119 nan 8.380 nan 0.000 0.481 304 W N 1.996 123.283 121.300 -0.021 0.000 2.341 304 W HA -0.130 4.529 4.660 -0.001 0.000 0.283 304 W C 1.091 177.644 176.519 0.055 0.000 1.215 304 W CA 0.230 57.549 57.345 -0.044 0.000 1.211 304 W CB 0.396 29.742 29.460 -0.190 0.000 1.131 304 W HN 0.615 nan 8.180 nan 0.000 0.552 305 G N -1.611 107.380 108.800 0.318 0.000 2.430 305 G HA2 0.433 4.392 3.960 -0.001 0.000 0.300 305 G HA3 0.433 4.392 3.960 -0.001 0.000 0.300 305 G C -1.781 173.472 174.900 0.589 0.000 1.330 305 G CA -0.572 44.743 45.100 0.359 0.000 0.813 305 G HN 0.128 nan 8.290 nan 0.000 0.487 306 F N -1.405 118.966 119.950 0.702 0.000 2.807 306 F HA 0.930 5.457 4.527 -0.001 0.000 0.316 306 F C -0.888 175.311 175.800 0.666 0.000 1.162 306 F CA -1.136 57.312 58.000 0.747 0.000 0.910 306 F CB 1.436 40.678 39.000 0.403 0.000 1.314 306 F HN 0.997 nan 8.300 nan 0.000 0.454 307 R N -0.032 120.791 120.500 0.539 0.000 2.728 307 R HA 0.725 5.064 4.340 -0.001 0.000 0.274 307 R C -3.641 172.627 176.300 -0.053 0.000 1.032 307 R CA -1.854 54.205 56.100 -0.067 0.000 0.866 307 R CB 1.743 31.720 30.300 -0.538 0.000 1.263 307 R HN 0.396 nan 8.270 nan 0.000 0.475 308 P HA 0.356 nan 4.420 nan 0.000 0.279 308 P C -0.766 176.025 177.300 -0.848 0.000 1.252 308 P CA -0.597 61.768 63.100 -1.225 0.000 0.811 308 P CB 1.221 31.593 31.700 -2.214 0.000 1.035 309 K N 0.534 120.533 120.400 -0.667 0.000 2.524 309 K HA 0.289 4.608 4.320 -0.001 0.000 0.210 309 K C 0.380 176.967 176.600 -0.022 0.000 1.340 309 K CA 0.806 56.939 56.287 -0.258 0.000 0.880 309 K CB 0.286 32.670 32.500 -0.194 0.000 1.616 309 K HN 0.360 nan 8.250 nan 0.000 0.457 310 K N 0.219 120.578 120.400 -0.067 0.000 2.378 310 K HA 0.567 4.886 4.320 -0.001 0.000 0.244 310 K C -1.341 175.290 176.600 0.053 0.000 1.039 310 K CA -0.954 55.323 56.287 -0.016 0.000 0.863 310 K CB 1.982 34.415 32.500 -0.110 0.000 1.326 310 K HN -0.071 nan 8.250 nan 0.000 0.460 311 L N -0.287 120.939 121.223 0.005 0.000 2.565 311 L HA 0.394 4.733 4.340 -0.001 0.000 0.261 311 L C -1.852 174.985 176.870 -0.055 0.000 0.932 311 L CA 0.028 54.883 54.840 0.025 0.000 0.878 311 L CB 2.420 44.562 42.059 0.139 0.000 1.333 311 L HN 0.513 nan 8.230 nan 0.000 0.409 312 S N 4.502 120.178 115.700 -0.041 0.000 2.605 312 S HA 0.654 5.124 4.470 -0.001 0.000 0.308 312 S C -1.244 173.395 174.600 0.064 0.000 1.113 312 S CA -0.287 57.889 58.200 -0.040 0.000 1.049 312 S CB 1.013 64.155 63.200 -0.097 0.000 1.001 312 S HN 0.496 nan 8.310 nan 0.000 0.480 313 F N 3.412 123.371 119.950 0.014 0.000 2.469 313 F HA 0.686 5.213 4.527 -0.001 0.000 0.332 313 F C -0.279 175.592 175.800 0.117 0.000 1.103 313 F CA -0.488 57.571 58.000 0.098 0.000 0.979 313 F CB 0.984 40.173 39.000 0.314 0.000 1.137 313 F HN 0.416 nan 8.300 nan 0.000 0.463 314 K N 7.284 127.311 120.400 -0.622 0.000 2.535 314 K HA 0.534 4.854 4.320 -0.001 0.000 0.251 314 K C -2.180 174.301 176.600 -0.198 0.000 0.942 314 K CA -0.607 55.546 56.287 -0.223 0.000 0.798 314 K CB 1.579 34.045 32.500 -0.057 0.000 1.267 314 K HN 0.773 nan 8.250 nan 0.000 0.434 315 L N 5.868 127.159 121.223 0.113 0.000 2.346 315 L HA 0.698 5.038 4.340 -0.001 0.000 0.276 315 L C -0.743 176.382 176.870 0.425 0.000 1.006 315 L CA -0.875 54.053 54.840 0.145 0.000 0.817 315 L CB 0.991 43.123 42.059 0.122 0.000 1.272 315 L HN 0.704 nan 8.230 nan 0.000 0.421 316 F N -0.637 119.416 119.950 0.173 0.000 2.877 316 F HA 0.367 4.893 4.527 -0.001 0.000 0.319 316 F C -0.164 175.706 175.800 0.116 0.000 1.174 316 F CA -1.469 56.608 58.000 0.129 0.000 0.903 316 F CB 1.077 40.119 39.000 0.070 0.000 1.357 316 F HN 0.484 nan 8.300 nan 0.000 0.472 317 N N 0.579 119.434 118.700 0.258 0.000 2.705 317 N HA -0.200 4.539 4.740 -0.001 0.000 0.255 317 N C -1.104 174.390 175.510 -0.027 0.000 1.008 317 N CA 0.520 53.632 53.050 0.104 0.000 0.742 317 N CB -1.069 37.484 38.487 0.110 0.000 0.906 317 N HN 0.488 nan 8.380 nan 0.000 0.541 318 I N 0.902 121.489 120.570 0.029 0.000 2.474 318 I HA 0.094 4.264 4.170 -0.001 0.000 0.287 318 I C 0.491 176.574 176.117 -0.057 0.000 1.048 318 I CA 0.118 61.415 61.300 -0.004 0.000 1.383 318 I CB 0.895 38.971 38.000 0.126 0.000 1.412 318 I HN 0.137 nan 8.210 nan 0.000 0.531 319 Q N 5.430 125.146 119.800 -0.139 0.000 2.285 319 Q HA 0.510 4.850 4.340 -0.001 0.000 0.269 319 Q C -1.401 174.485 176.000 -0.191 0.000 1.030 319 Q CA -0.760 54.955 55.803 -0.148 0.000 0.788 319 Q CB 3.139 31.771 28.738 -0.176 0.000 1.266 319 Q HN 0.391 nan 8.270 nan 0.000 0.438 320 V N 3.335 123.156 119.914 -0.155 0.000 2.347 320 V HA 0.354 4.474 4.120 -0.001 0.000 0.280 320 V C -0.324 175.623 176.094 -0.246 0.000 1.021 320 V CA -0.633 61.553 62.300 -0.191 0.000 0.847 320 V CB 1.160 32.926 31.823 -0.095 0.000 0.990 320 V HN 0.545 nan 8.190 nan 0.000 0.444 321 K N 4.200 124.333 120.400 -0.444 0.000 2.244 321 K HA 0.563 4.883 4.320 -0.001 0.000 0.260 321 K C -0.350 176.116 176.600 -0.225 0.000 0.951 321 K CA -0.605 55.445 56.287 -0.396 0.000 0.826 321 K CB 2.526 34.642 32.500 -0.639 0.000 1.108 321 K HN 0.892 nan 8.250 nan 0.000 0.433 322 E N 0.283 120.450 120.200 -0.055 0.000 2.183 322 E HA 0.495 4.845 4.350 -0.001 0.000 0.271 322 E C -0.860 175.787 176.600 0.079 0.000 0.919 322 E CA -1.010 55.411 56.400 0.036 0.000 0.781 322 E CB 1.980 31.697 29.700 0.029 0.000 1.140 322 E HN 0.135 nan 8.360 nan 0.000 0.402 323 V N 2.326 122.306 119.914 0.111 0.000 2.815 323 V HA 0.803 4.923 4.120 -0.001 0.000 0.314 323 V C -1.041 175.089 176.094 0.060 0.000 1.064 323 V CA 0.004 62.359 62.300 0.092 0.000 0.952 323 V CB 2.113 33.996 31.823 0.101 0.000 1.020 323 V HN 1.022 nan 8.190 nan 0.000 0.439 324 T N 2.808 117.388 114.554 0.043 0.000 2.928 324 T HA 0.579 4.928 4.350 -0.001 0.000 0.296 324 T C -0.924 173.789 174.700 0.022 0.000 1.000 324 T CA -0.671 61.449 62.100 0.033 0.000 0.989 324 T CB 1.574 70.461 68.868 0.031 0.000 1.005 324 T HN 0.602 nan 8.240 nan 0.000 0.442 325 Q N 2.953 122.764 119.800 0.017 0.000 2.503 325 Q HA 0.394 4.733 4.340 -0.001 0.000 0.227 325 Q C 0.860 176.866 176.000 0.010 0.000 1.109 325 Q CA -0.484 55.325 55.803 0.010 0.000 0.922 325 Q CB 0.535 29.276 28.738 0.005 0.000 1.249 325 Q HN 0.544 nan 8.270 nan 0.000 0.530 326 N N 1.138 119.844 118.700 0.009 0.000 2.132 326 N HA -0.076 4.663 4.740 -0.001 0.000 0.187 326 N C 0.098 175.611 175.510 0.005 0.000 1.038 326 N CA 1.245 54.300 53.050 0.009 0.000 0.846 326 N CB 0.415 38.908 38.487 0.009 0.000 1.012 326 N HN 0.445 nan 8.380 nan 0.000 0.429 327 D N -1.627 118.775 120.400 0.004 0.000 3.051 327 D HA 0.227 4.866 4.640 -0.001 0.000 0.216 327 D C 1.041 177.341 176.300 -0.000 0.000 1.454 327 D CA 0.493 54.494 54.000 0.002 0.000 1.400 327 D CB -0.479 40.322 40.800 0.001 0.000 0.975 327 D HN 0.226 nan 8.370 nan 0.000 0.212 328 G N -0.193 108.606 108.800 -0.001 0.000 3.839 328 G HA2 0.262 4.222 3.960 -0.001 0.000 0.286 328 G HA3 0.262 4.222 3.960 -0.001 0.000 0.286 328 G C -0.216 174.682 174.900 -0.004 0.000 1.005 328 G CA 0.110 45.208 45.100 -0.003 0.000 0.824 328 G HN 0.241 nan 8.290 nan 0.000 0.489 329 T N 0.690 115.243 114.554 -0.002 0.000 2.881 329 T HA 0.525 4.875 4.350 -0.001 0.000 0.290 329 T C -0.326 174.374 174.700 -0.000 0.000 1.000 329 T CA -0.270 61.829 62.100 -0.002 0.000 0.978 329 T CB 1.360 70.227 68.868 -0.001 0.000 0.997 329 T HN 0.111 nan 8.240 nan 0.000 0.443 330 T N 2.224 116.777 114.554 -0.002 0.000 2.738 330 T HA 0.533 4.883 4.350 -0.001 0.000 0.298 330 T C 0.414 175.119 174.700 0.008 0.000 0.962 330 T CA -0.800 61.301 62.100 0.001 0.000 0.972 330 T CB 0.265 69.128 68.868 -0.007 0.000 0.928 330 T HN 0.714 nan 8.240 nan 0.000 0.474 331 T N 1.999 116.562 114.554 0.015 0.000 2.837 331 T HA 0.663 5.013 4.350 -0.001 0.000 0.285 331 T C 0.003 174.723 174.700 0.034 0.000 0.984 331 T CA -0.941 61.171 62.100 0.020 0.000 1.049 331 T CB 0.499 69.377 68.868 0.016 0.000 0.947 331 T HN 0.645 nan 8.240 nan 0.000 0.472 332 I N 2.170 122.764 120.570 0.041 0.000 2.406 332 I HA 0.670 4.839 4.170 -0.001 0.000 0.290 332 I C 0.162 176.302 176.117 0.039 0.000 0.999 332 I CA -1.038 60.301 61.300 0.066 0.000 1.124 332 I CB 1.552 39.617 38.000 0.109 0.000 1.289 332 I HN 0.914 nan 8.210 nan 0.000 0.441 333 A N 5.327 128.163 122.820 0.026 0.000 2.479 333 A HA 0.626 4.946 4.320 -0.001 0.000 0.296 333 A C -0.893 176.678 177.584 -0.022 0.000 1.121 333 A CA -0.818 51.221 52.037 0.003 0.000 0.743 333 A CB 1.343 20.347 19.000 0.007 0.000 1.323 333 A HN 0.636 nan 8.150 nan 0.000 0.415 334 N N 1.978 120.661 118.700 -0.028 0.000 2.497 334 N HA 0.127 4.867 4.740 -0.001 0.000 0.271 334 N C -0.981 174.509 175.510 -0.034 0.000 1.142 334 N CA 0.173 53.196 53.050 -0.044 0.000 0.965 334 N CB 0.760 39.225 38.487 -0.036 0.000 1.077 334 N HN 0.589 nan 8.380 nan 0.000 0.462 335 N N 3.416 122.089 118.700 -0.046 0.000 2.699 335 N HA 0.205 4.944 4.740 -0.001 0.000 0.232 335 N C 0.897 176.390 175.510 -0.028 0.000 1.027 335 N CA -0.285 52.748 53.050 -0.029 0.000 0.920 335 N CB 0.330 38.802 38.487 -0.025 0.000 1.148 335 N HN 0.454 nan 8.380 nan 0.000 0.509 336 L N 0.987 122.199 121.223 -0.017 0.000 2.156 336 L HA -0.065 4.274 4.340 -0.001 0.000 0.208 336 L C 1.985 178.853 176.870 -0.004 0.000 1.095 336 L CA 1.278 56.111 54.840 -0.012 0.000 0.770 336 L CB -0.451 41.604 42.059 -0.007 0.000 0.914 336 L HN 0.529 nan 8.230 nan 0.000 0.439 337 T N -4.376 110.178 114.554 -0.001 0.000 3.148 337 T HA 0.011 4.361 4.350 -0.001 0.000 0.253 337 T C 0.966 175.668 174.700 0.003 0.000 1.134 337 T CA -0.060 62.042 62.100 0.004 0.000 1.051 337 T CB 0.038 68.910 68.868 0.005 0.000 0.959 337 T HN 0.094 nan 8.240 nan 0.000 0.525 338 S N 1.950 117.649 115.700 -0.003 0.000 2.601 338 S HA 0.521 4.991 4.470 -0.001 0.000 0.271 338 S C 0.417 175.017 174.600 0.001 0.000 1.305 338 S CA -0.421 57.775 58.200 -0.006 0.000 1.022 338 S CB 0.703 63.894 63.200 -0.016 0.000 0.940 338 S HN 0.743 nan 8.310 nan 0.000 0.525 339 T N 0.228 114.782 114.554 0.000 0.000 2.905 339 T HA 0.794 5.144 4.350 -0.001 0.000 0.283 339 T C -0.569 174.138 174.700 0.011 0.000 1.031 339 T CA -0.786 61.323 62.100 0.015 0.000 1.002 339 T CB 1.328 70.207 68.868 0.019 0.000 1.200 339 T HN 0.608 nan 8.240 nan 0.000 0.560 340 V N 0.153 120.087 119.914 0.033 0.000 3.087 340 V HA 0.522 4.642 4.120 -0.001 0.000 0.306 340 V C -1.790 174.326 176.094 0.038 0.000 1.187 340 V CA -0.789 61.525 62.300 0.024 0.000 0.999 340 V CB 2.403 34.272 31.823 0.077 0.000 1.049 340 V HN 1.067 nan 8.190 nan 0.000 0.431 341 Q N 3.488 123.291 119.800 0.005 0.000 2.331 341 Q HA 0.764 5.104 4.340 -0.001 0.000 0.267 341 Q C -1.453 174.669 176.000 0.203 0.000 1.006 341 Q CA -0.636 55.234 55.803 0.112 0.000 0.818 341 Q CB 2.560 31.382 28.738 0.140 0.000 1.276 341 Q HN 0.551 nan 8.270 nan 0.000 0.450 342 V N 3.368 123.380 119.914 0.162 0.000 2.823 342 V HA 0.745 4.864 4.120 -0.001 0.000 0.312 342 V C -0.719 175.413 176.094 0.063 0.000 1.072 342 V CA -0.830 61.449 62.300 -0.036 0.000 0.937 342 V CB 1.323 32.814 31.823 -0.553 0.000 1.013 342 V HN 0.790 nan 8.190 nan 0.000 0.430 343 F N 0.326 120.126 119.950 -0.250 0.000 2.817 343 F HA 0.806 5.332 4.527 -0.001 0.000 0.317 343 F C -0.901 174.704 175.800 -0.325 0.000 1.168 343 F CA -0.686 57.188 58.000 -0.209 0.000 0.911 343 F CB 1.982 40.898 39.000 -0.139 0.000 1.337 343 F HN 0.470 nan 8.300 nan 0.000 0.464 344 T N 0.680 115.092 114.554 -0.237 0.000 2.841 344 T HA 0.286 4.635 4.350 -0.001 0.000 0.285 344 T C -1.530 172.996 174.700 -0.289 0.000 0.991 344 T CA -0.409 61.391 62.100 -0.499 0.000 0.966 344 T CB 0.908 69.370 68.868 -0.676 0.000 0.962 344 T HN 0.835 nan 8.240 nan 0.000 0.438 345 D N 3.381 123.521 120.400 -0.432 0.000 2.498 345 D HA 0.249 4.888 4.640 -0.001 0.000 0.229 345 D C 0.858 176.915 176.300 -0.405 0.000 1.188 345 D CA 0.111 53.925 54.000 -0.309 0.000 1.028 345 D CB 0.060 40.644 40.800 -0.360 0.000 1.087 345 D HN 0.428 nan 8.370 nan 0.000 0.510 346 S N 2.010 117.529 115.700 -0.303 0.000 2.501 346 S HA 0.007 4.477 4.470 -0.001 0.000 0.220 346 S C 1.250 175.564 174.600 -0.477 0.000 0.997 346 S CA 0.066 58.037 58.200 -0.382 0.000 0.919 346 S CB 0.230 63.375 63.200 -0.092 0.000 0.778 346 S HN 0.536 nan 8.310 nan 0.000 0.523 347 E N 0.293 120.329 120.200 -0.273 0.000 2.474 347 E HA 0.129 4.479 4.350 -0.001 0.000 0.195 347 E C -0.887 175.737 176.600 0.039 0.000 1.039 347 E CA -0.319 56.035 56.400 -0.078 0.000 0.881 347 E CB 0.056 29.764 29.700 0.013 0.000 0.970 347 E HN 0.538 nan 8.360 nan 0.000 0.486 348 Y N 0.512 120.828 120.300 0.027 0.000 3.078 348 Y HA -0.296 4.253 4.550 -0.001 0.000 0.202 348 Y C 1.050 176.936 175.900 -0.024 0.000 1.322 348 Y CA 0.319 58.413 58.100 -0.010 0.000 1.118 348 Y CB -2.419 36.028 38.460 -0.022 0.000 1.343 348 Y HN 0.205 nan 8.280 nan 0.000 0.499 349 Q N -0.109 119.735 119.800 0.073 0.000 2.396 349 Q HA 0.260 4.599 4.340 -0.001 0.000 0.209 349 Q C 0.374 176.293 176.000 -0.135 0.000 0.906 349 Q CA 0.184 56.017 55.803 0.051 0.000 0.927 349 Q CB 0.592 29.432 28.738 0.170 0.000 1.069 349 Q HN 0.551 nan 8.270 nan 0.000 0.523 350 L N 1.868 122.975 121.223 -0.193 0.000 2.325 350 L HA 0.382 4.722 4.340 -0.001 0.000 0.279 350 L C -2.227 174.486 176.870 -0.261 0.000 1.054 350 L CA -2.422 52.167 54.840 -0.418 0.000 0.804 350 L CB 0.966 42.754 42.059 -0.451 0.000 1.200 350 L HN -0.183 nan 8.230 nan 0.000 0.436 351 P HA -0.120 nan 4.420 nan 0.000 0.260 351 P C -1.078 176.262 177.300 0.067 0.000 1.185 351 P CA 0.165 63.217 63.100 -0.080 0.000 0.763 351 P CB -0.018 31.634 31.700 -0.080 0.000 0.776 352 Y N 4.152 124.447 120.300 -0.008 0.000 2.584 352 Y HA 0.118 4.668 4.550 -0.001 0.000 0.351 352 Y C 1.210 177.120 175.900 0.015 0.000 1.030 352 Y CA 0.287 58.394 58.100 0.011 0.000 1.332 352 Y CB 0.365 38.850 38.460 0.041 0.000 1.148 352 Y HN 0.150 nan 8.280 nan 0.000 0.528 353 V N 7.063 126.807 119.914 -0.284 0.000 3.647 353 V HA 0.128 4.247 4.120 -0.001 0.000 0.279 353 V C 0.524 176.433 176.094 -0.308 0.000 1.314 353 V CA 0.306 62.457 62.300 -0.248 0.000 1.125 353 V CB -0.612 31.017 31.823 -0.323 0.000 0.907 353 V HN 0.590 nan 8.190 nan 0.000 0.434 354 L N -0.247 120.624 121.223 -0.586 0.000 2.488 354 L HA 0.570 4.909 4.340 -0.001 0.000 0.249 354 L C 1.569 178.345 176.870 -0.157 0.000 1.151 354 L CA 0.296 54.886 54.840 -0.416 0.000 0.806 354 L CB -0.074 41.615 42.059 -0.616 0.000 1.261 354 L HN 0.282 nan 8.230 nan 0.000 0.484 355 G N 0.159 108.879 108.800 -0.134 0.000 2.225 355 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.267 355 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.267 355 G C 0.457 175.356 174.900 -0.003 0.000 1.024 355 G CA 0.524 45.582 45.100 -0.069 0.000 0.784 355 G HN 0.528 nan 8.290 nan 0.000 0.507 356 S N -0.499 115.200 115.700 -0.002 0.000 2.754 356 S HA 0.578 5.048 4.470 -0.001 0.000 0.247 356 S C 1.483 175.937 174.600 -0.242 0.000 1.031 356 S CA 0.982 59.133 58.200 -0.081 0.000 1.014 356 S CB 0.646 63.828 63.200 -0.031 0.000 0.918 356 S HN 2.145 nan 8.310 nan 0.000 0.519 357 A N 1.599 124.351 122.820 -0.114 0.000 2.816 357 A HA -0.220 4.100 4.320 -0.001 0.000 0.270 357 A C 0.421 177.950 177.584 -0.092 0.000 1.413 357 A CA 0.898 52.888 52.037 -0.079 0.000 0.866 357 A CB -2.277 16.684 19.000 -0.064 0.000 1.032 357 A HN 0.668 nan 8.150 nan 0.000 0.642 358 H N -0.119 118.954 119.070 0.004 0.000 2.767 358 H HA 0.252 4.807 4.556 -0.001 0.000 0.380 358 H C 1.010 176.361 175.328 0.038 0.000 1.409 358 H CA 0.929 56.991 56.048 0.023 0.000 1.463 358 H CB 0.290 30.076 29.762 0.040 0.000 1.514 358 H HN 0.744 nan 8.280 nan 0.000 0.619 359 Q N -1.193 118.725 119.800 0.196 0.000 2.180 359 Q HA 0.404 4.743 4.340 -0.001 0.000 0.241 359 Q C 0.540 176.597 176.000 0.096 0.000 0.970 359 Q CA -0.232 55.646 55.803 0.126 0.000 0.919 359 Q CB 1.632 30.434 28.738 0.106 0.000 1.222 359 Q HN 0.958 nan 8.270 nan 0.000 0.482 360 G N -0.417 108.430 108.800 0.077 0.000 2.138 360 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.193 360 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.193 360 G C 0.112 175.010 174.900 -0.003 0.000 0.998 360 G CA -0.347 44.787 45.100 0.056 0.000 0.668 360 G HN 0.576 nan 8.290 nan 0.000 0.516 361 C N 0.248 119.536 119.300 -0.019 0.000 2.641 361 C HA 0.613 5.072 4.460 -0.001 0.000 0.318 361 C C 1.597 176.408 174.990 -0.299 0.000 1.490 361 C CA -0.651 58.312 59.018 -0.091 0.000 2.260 361 C CB -0.018 27.704 27.740 -0.031 0.000 2.103 361 C HN 0.495 nan 8.230 nan 0.000 0.641 362 L N 2.384 123.425 121.223 -0.303 0.000 2.410 362 L HA 0.215 4.555 4.340 -0.001 0.000 0.273 362 L C -2.076 174.724 176.870 -0.115 0.000 1.152 362 L CA -1.107 53.471 54.840 -0.436 0.000 0.855 362 L CB -0.096 41.823 42.059 -0.233 0.000 1.129 362 L HN 0.386 nan 8.230 nan 0.000 0.463 363 P HA 0.023 nan 4.420 nan 0.000 0.262 363 P C -2.001 175.382 177.300 0.138 0.000 1.182 363 P CA -0.855 62.308 63.100 0.105 0.000 0.761 363 P CB 0.182 31.980 31.700 0.162 0.000 0.795 364 P HA -0.151 nan 4.420 nan 0.000 0.216 364 P C 0.213 177.515 177.300 0.004 0.000 1.150 364 P CA 1.246 64.409 63.100 0.105 0.000 0.843 364 P CB -0.021 31.622 31.700 -0.094 0.000 0.787 365 F N -0.194 119.598 119.950 -0.264 0.000 2.411 365 F HA 0.285 4.812 4.527 -0.001 0.000 0.350 365 F C -1.696 174.058 175.800 -0.077 0.000 1.114 365 F CA -2.999 54.776 58.000 -0.376 0.000 1.135 365 F CB 1.047 39.740 39.000 -0.512 0.000 1.120 365 F HN -0.110 nan 8.300 nan 0.000 0.495 366 P HA -0.150 nan 4.420 nan 0.000 0.218 366 P C 0.999 178.273 177.300 -0.044 0.000 1.148 366 P CA 1.752 64.762 63.100 -0.150 0.000 0.822 366 P CB 0.092 31.705 31.700 -0.145 0.000 0.784 367 A N -1.035 121.613 122.820 -0.286 0.000 2.119 367 A HA -0.054 4.265 4.320 -0.001 0.000 0.217 367 A C 0.658 178.351 177.584 0.182 0.000 1.153 367 A CA 0.725 52.760 52.037 -0.003 0.000 0.692 367 A CB -0.937 18.119 19.000 0.094 0.000 0.799 367 A HN 0.095 nan 8.150 nan 0.000 0.458 368 D N 0.164 120.717 120.400 0.255 0.000 2.348 368 D HA 0.378 5.018 4.640 -0.001 0.000 0.253 368 D C -0.190 176.273 176.300 0.272 0.000 1.161 368 D CA 0.141 54.299 54.000 0.263 0.000 0.876 368 D CB 1.384 42.352 40.800 0.280 0.000 1.160 368 D HN -0.019 nan 8.370 nan 0.000 0.459 369 V N 3.273 123.328 119.914 0.235 0.000 2.686 369 V HA 0.422 4.542 4.120 -0.001 0.000 0.295 369 V C 0.092 176.372 176.094 0.309 0.000 1.057 369 V CA -0.482 61.965 62.300 0.246 0.000 1.012 369 V CB 0.503 32.396 31.823 0.118 0.000 1.006 369 V HN 0.423 nan 8.190 nan 0.000 0.477 370 F N 2.527 122.566 119.950 0.149 0.000 2.593 370 F HA 0.777 5.304 4.527 -0.001 0.000 0.320 370 F C -0.458 175.422 175.800 0.134 0.000 1.060 370 F CA -1.349 56.732 58.000 0.134 0.000 0.940 370 F CB 1.942 41.028 39.000 0.143 0.000 1.268 370 F HN 0.446 nan 8.300 nan 0.000 0.475 371 M N 3.283 122.922 119.600 0.066 0.000 2.264 371 M HA 0.525 5.005 4.480 -0.001 0.000 0.352 371 M C -1.339 174.959 176.300 -0.003 0.000 1.173 371 M CA -0.850 54.426 55.300 -0.040 0.000 1.075 371 M CB 1.538 34.164 32.600 0.043 0.000 1.621 371 M HN 0.611 nan 8.290 nan 0.000 0.457 372 V N 7.370 127.207 119.914 -0.128 0.000 2.508 372 V HA 0.249 4.368 4.120 -0.001 0.000 0.281 372 V C -2.056 173.963 176.094 -0.127 0.000 1.041 372 V CA -1.267 60.924 62.300 -0.181 0.000 1.016 372 V CB 0.455 32.031 31.823 -0.411 0.000 0.984 372 V HN 0.758 nan 8.190 nan 0.000 0.478 373 P HA 0.099 nan 4.420 nan 0.000 0.269 373 P C -0.573 176.427 177.300 -0.500 0.000 1.215 373 P CA -0.142 62.709 63.100 -0.415 0.000 0.780 373 P CB 0.469 31.734 31.700 -0.726 0.000 0.898 374 Q N 1.282 120.762 119.800 -0.533 0.000 2.230 374 Q HA 0.238 4.578 4.340 -0.001 0.000 0.248 374 Q C -1.313 174.698 176.000 0.019 0.000 0.915 374 Q CA -0.704 54.709 55.803 -0.650 0.000 0.900 374 Q CB 0.495 28.483 28.738 -1.250 0.000 1.229 374 Q HN 0.377 nan 8.270 nan 0.000 0.439 375 Y N 1.466 121.766 120.300 -0.000 0.000 2.327 375 Y HA 0.581 5.131 4.550 -0.001 0.000 0.336 375 Y C -0.297 175.604 175.900 0.003 0.000 1.035 375 Y CA 0.139 58.258 58.100 0.031 0.000 1.165 375 Y CB 1.225 39.711 38.460 0.044 0.000 1.181 375 Y HN 0.639 nan 8.280 nan 0.000 0.494 376 G N 5.066 113.502 108.800 -0.607 0.000 2.696 376 G HA2 0.528 4.487 3.960 -0.001 0.000 0.295 376 G HA3 0.528 4.487 3.960 -0.001 0.000 0.295 376 G C -2.295 172.299 174.900 -0.509 0.000 1.398 376 G CA -0.823 43.993 45.100 -0.473 0.000 0.920 376 G HN 0.744 nan 8.290 nan 0.000 0.492 377 Y N -1.066 119.032 120.300 -0.336 0.000 2.615 377 Y HA 0.822 5.372 4.550 -0.001 0.000 0.341 377 Y C -1.177 174.735 175.900 0.020 0.000 1.089 377 Y CA -1.693 56.296 58.100 -0.184 0.000 1.049 377 Y CB 1.537 39.916 38.460 -0.134 0.000 1.296 377 Y HN 0.468 nan 8.280 nan 0.000 0.470 378 L N 2.008 123.365 121.223 0.224 0.000 2.334 378 L HA 0.733 5.073 4.340 -0.001 0.000 0.273 378 L C -0.221 176.859 176.870 0.350 0.000 1.013 378 L CA -0.608 54.361 54.840 0.214 0.000 0.816 378 L CB 2.407 44.587 42.059 0.202 0.000 1.278 378 L HN 0.965 nan 8.230 nan 0.000 0.431 379 T N 0.344 115.101 114.554 0.340 0.000 2.688 379 T HA 0.452 4.801 4.350 -0.001 0.000 0.249 379 T C -0.891 173.989 174.700 0.299 0.000 0.944 379 T CA -0.682 61.648 62.100 0.383 0.000 1.058 379 T CB 0.885 70.035 68.868 0.470 0.000 1.673 379 T HN 0.118 nan 8.240 nan 0.000 0.565 380 L N 2.974 124.356 121.223 0.265 0.000 2.350 380 L HA 0.578 4.917 4.340 -0.001 0.000 0.275 380 L C -0.576 176.384 176.870 0.149 0.000 1.099 380 L CA -0.364 54.587 54.840 0.185 0.000 0.808 380 L CB 0.128 42.273 42.059 0.143 0.000 1.149 380 L HN 0.910 nan 8.230 nan 0.000 0.442 381 N N 1.283 120.049 118.700 0.110 0.000 2.331 381 N HA 0.328 5.068 4.740 -0.001 0.000 0.280 381 N C -1.378 174.138 175.510 0.010 0.000 1.155 381 N CA -0.735 52.341 53.050 0.043 0.000 0.822 381 N CB 0.943 39.503 38.487 0.122 0.000 1.619 381 N HN 0.363 nan 8.380 nan 0.000 0.476 382 N N 1.096 119.757 118.700 -0.064 0.000 2.816 382 N HA 0.435 5.175 4.740 -0.001 0.000 0.236 382 N C 0.636 176.066 175.510 -0.133 0.000 1.076 382 N CA 0.986 53.995 53.050 -0.069 0.000 0.902 382 N CB 0.048 38.489 38.487 -0.076 0.000 1.149 382 N HN 1.029 nan 8.380 nan 0.000 0.506 383 G N 2.338 111.053 108.800 -0.142 0.000 2.523 383 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.271 383 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.271 383 G C 0.790 175.482 174.900 -0.347 0.000 1.146 383 G CA 0.521 45.367 45.100 -0.423 0.000 0.961 383 G HN 0.776 nan 8.290 nan 0.000 0.549 384 S N 0.259 115.714 115.700 -0.408 0.000 2.528 384 S HA 0.303 4.772 4.470 -0.001 0.000 0.219 384 S C 1.073 175.602 174.600 -0.118 0.000 0.985 384 S CA 1.297 59.438 58.200 -0.099 0.000 0.914 384 S CB 0.236 63.430 63.200 -0.010 0.000 0.776 384 S HN 0.757 nan 8.310 nan 0.000 0.526 385 Q N 0.586 120.259 119.800 -0.212 0.000 2.237 385 Q HA 0.718 5.057 4.340 -0.001 0.000 0.219 385 Q C -0.319 175.390 176.000 -0.484 0.000 0.999 385 Q CA -0.412 55.203 55.803 -0.313 0.000 0.959 385 Q CB 1.170 29.771 28.738 -0.228 0.000 1.173 385 Q HN 0.490 nan 8.270 nan 0.000 0.527 386 A N 0.367 122.779 122.820 -0.681 0.000 2.346 386 A HA 0.703 5.023 4.320 -0.001 0.000 0.313 386 A C -0.688 176.708 177.584 -0.312 0.000 1.140 386 A CA -0.605 51.021 52.037 -0.684 0.000 0.826 386 A CB 1.000 19.251 19.000 -1.248 0.000 1.332 386 A HN 0.465 nan 8.150 nan 0.000 0.457 387 V N -0.462 119.349 119.914 -0.173 0.000 3.406 387 V HA 0.530 4.650 4.120 -0.001 0.000 0.305 387 V C 1.770 177.833 176.094 -0.052 0.000 1.136 387 V CA 0.315 62.565 62.300 -0.083 0.000 1.011 387 V CB 1.252 33.059 31.823 -0.026 0.000 1.221 387 V HN 1.131 nan 8.190 nan 0.000 0.454 388 G N -0.430 108.356 108.800 -0.024 0.000 2.464 388 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.217 388 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.217 388 G C 1.156 176.068 174.900 0.019 0.000 1.138 388 G CA -0.019 45.077 45.100 -0.006 0.000 0.793 388 G HN 0.576 nan 8.290 nan 0.000 0.539 389 R N 0.900 121.419 120.500 0.031 0.000 2.363 389 R HA 0.214 4.554 4.340 -0.001 0.000 0.236 389 R C 0.085 176.434 176.300 0.083 0.000 0.966 389 R CA -0.176 55.956 56.100 0.052 0.000 1.100 389 R CB 0.196 30.528 30.300 0.054 0.000 1.125 389 R HN 0.133 nan 8.270 nan 0.000 0.514 390 S N 0.361 116.117 115.700 0.095 0.000 2.584 390 S HA 0.219 4.689 4.470 -0.001 0.000 0.273 390 S C 0.069 174.765 174.600 0.160 0.000 1.311 390 S CA -0.282 58.019 58.200 0.168 0.000 1.034 390 S CB 1.712 65.040 63.200 0.213 0.000 0.939 390 S HN 0.060 nan 8.310 nan 0.000 0.513 391 S N 2.320 118.124 115.700 0.174 0.000 2.437 391 S HA 0.516 4.986 4.470 -0.001 0.000 0.305 391 S C -0.919 173.626 174.600 -0.091 0.000 1.109 391 S CA -0.550 57.611 58.200 -0.066 0.000 1.099 391 S CB 0.475 63.563 63.200 -0.186 0.000 1.004 391 S HN 0.556 nan 8.310 nan 0.000 0.475 392 F N 4.048 123.752 119.950 -0.410 0.000 2.427 392 F HA 0.561 5.088 4.527 -0.001 0.000 0.346 392 F C -1.483 174.001 175.800 -0.526 0.000 1.120 392 F CA -1.459 56.295 58.000 -0.411 0.000 1.033 392 F CB 0.442 39.198 39.000 -0.407 0.000 1.126 392 F HN 0.520 nan 8.300 nan 0.000 0.462 393 Y N 5.530 125.536 120.300 -0.490 0.000 2.328 393 Y HA 0.402 4.951 4.550 -0.001 0.000 0.333 393 Y C -0.072 175.454 175.900 -0.624 0.000 0.958 393 Y CA -0.858 56.962 58.100 -0.467 0.000 1.167 393 Y CB 1.409 39.677 38.460 -0.321 0.000 1.151 393 Y HN 0.715 nan 8.280 nan 0.000 0.470 394 C N 5.784 124.813 119.300 -0.451 0.000 2.307 394 C HA 0.402 4.862 4.460 -0.001 0.000 0.340 394 C C 0.992 176.049 174.990 0.112 0.000 1.275 394 C CA -0.577 58.221 59.018 -0.366 0.000 1.811 394 C CB -0.803 26.667 27.740 -0.451 0.000 2.372 394 C HN 0.981 nan 8.230 nan 0.000 0.531 395 L N 4.408 125.757 121.223 0.209 0.000 2.554 395 L HA 0.150 4.489 4.340 -0.001 0.000 0.226 395 L C 2.260 179.185 176.870 0.092 0.000 1.137 395 L CA 1.256 56.083 54.840 -0.023 0.000 0.863 395 L CB -0.437 41.166 42.059 -0.759 0.000 0.985 395 L HN 0.690 nan 8.230 nan 0.000 0.451 396 E N -1.552 118.849 120.200 0.334 0.000 2.435 396 E HA -0.142 4.208 4.350 -0.001 0.000 0.195 396 E C 1.158 177.871 176.600 0.189 0.000 1.029 396 E CA 0.498 57.094 56.400 0.327 0.000 0.865 396 E CB -0.093 29.812 29.700 0.342 0.000 0.833 396 E HN 0.544 nan 8.360 nan 0.000 0.510 397 Y N -0.136 120.158 120.300 -0.011 0.000 2.495 397 Y HA 0.119 4.669 4.550 -0.001 0.000 0.293 397 Y C -0.392 175.276 175.900 -0.385 0.000 1.186 397 Y CA -0.318 57.679 58.100 -0.172 0.000 1.266 397 Y CB -0.003 38.321 38.460 -0.226 0.000 1.101 397 Y HN -0.228 nan 8.280 nan 0.000 0.517 398 F N 0.997 120.697 119.950 -0.415 0.000 2.495 398 F HA 0.433 4.959 4.527 -0.001 0.000 0.327 398 F C -2.171 173.285 175.800 -0.573 0.000 1.103 398 F CA -3.138 54.472 58.000 -0.651 0.000 0.949 398 F CB 0.902 39.169 39.000 -1.222 0.000 1.142 398 F HN -0.059 nan 8.300 nan 0.000 0.457 399 P HA 0.161 nan 4.420 nan 0.000 0.266 399 P C -1.053 176.179 177.300 -0.113 0.000 1.215 399 P CA -0.051 62.956 63.100 -0.156 0.000 0.763 399 P CB 0.567 32.199 31.700 -0.114 0.000 0.806 400 S N 1.700 117.396 115.700 -0.007 0.000 2.548 400 S HA 0.397 4.867 4.470 -0.001 0.000 0.286 400 S C -0.828 173.876 174.600 0.172 0.000 1.098 400 S CA -1.037 57.248 58.200 0.142 0.000 0.930 400 S CB 1.619 64.977 63.200 0.263 0.000 1.070 400 S HN 0.440 nan 8.310 nan 0.000 0.480 401 Q N 1.866 121.800 119.800 0.223 0.000 2.288 401 Q HA 0.391 4.730 4.340 -0.001 0.000 0.258 401 Q C -0.957 175.150 176.000 0.177 0.000 0.957 401 Q CA -0.170 55.760 55.803 0.211 0.000 0.919 401 Q CB 0.507 29.433 28.738 0.315 0.000 1.185 401 Q HN 0.719 nan 8.270 nan 0.000 0.408 402 M N 4.488 124.171 119.600 0.138 0.000 2.209 402 M HA 0.329 4.809 4.480 -0.001 0.000 0.355 402 M C -1.219 175.148 176.300 0.111 0.000 1.171 402 M CA -0.714 54.652 55.300 0.111 0.000 1.069 402 M CB 0.945 33.594 32.600 0.081 0.000 1.622 402 M HN 0.450 nan 8.290 nan 0.000 0.459 403 L N 2.852 124.139 121.223 0.107 0.000 2.362 403 L HA 0.591 4.931 4.340 -0.001 0.000 0.275 403 L C -0.136 176.787 176.870 0.088 0.000 0.998 403 L CA -0.335 54.574 54.840 0.115 0.000 0.820 403 L CB 1.700 43.852 42.059 0.154 0.000 1.270 403 L HN 0.598 nan 8.230 nan 0.000 0.415 404 R N -0.032 120.513 120.500 0.076 0.000 2.602 404 R HA 0.656 4.996 4.340 -0.001 0.000 0.237 404 R C -0.469 175.867 176.300 0.061 0.000 1.219 404 R CA -0.543 55.590 56.100 0.055 0.000 1.121 404 R CB 0.957 31.283 30.300 0.042 0.000 1.408 404 R HN 0.622 nan 8.270 nan 0.000 0.559 405 T N 0.629 115.207 114.554 0.040 0.000 2.817 405 T HA 0.338 4.688 4.350 -0.001 0.000 0.295 405 T C 0.808 175.537 174.700 0.048 0.000 0.958 405 T CA 0.983 63.105 62.100 0.038 0.000 1.157 405 T CB 0.632 69.508 68.868 0.012 0.000 0.898 405 T HN 0.772 nan 8.240 nan 0.000 0.536 406 G N 3.711 112.551 108.800 0.067 0.000 2.218 406 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.216 406 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.216 406 G C 0.209 175.160 174.900 0.084 0.000 0.994 406 G CA -0.679 44.462 45.100 0.069 0.000 0.637 406 G HN 0.600 nan 8.290 nan 0.000 0.505 407 N N 1.726 120.485 118.700 0.097 0.000 2.445 407 N HA 0.563 5.303 4.740 -0.001 0.000 0.264 407 N C 0.110 175.717 175.510 0.162 0.000 1.227 407 N CA 0.391 53.511 53.050 0.117 0.000 0.963 407 N CB 0.888 39.446 38.487 0.118 0.000 1.188 407 N HN 0.760 nan 8.380 nan 0.000 0.491 408 N N -0.677 118.132 118.700 0.182 0.000 2.934 408 N HA 0.383 5.123 4.740 -0.001 0.000 0.253 408 N C -1.880 173.804 175.510 0.289 0.000 1.466 408 N CA -0.561 52.634 53.050 0.243 0.000 0.858 408 N CB 1.293 39.908 38.487 0.213 0.000 1.459 408 N HN 0.366 nan 8.380 nan 0.000 0.532 409 F N 0.123 120.160 119.950 0.146 0.000 2.529 409 F HA 0.522 5.049 4.527 -0.001 0.000 0.320 409 F C -0.743 175.145 175.800 0.148 0.000 1.118 409 F CA -0.391 57.696 58.000 0.145 0.000 0.915 409 F CB 2.041 41.139 39.000 0.164 0.000 1.161 409 F HN 0.577 nan 8.300 nan 0.000 0.445 410 Q N 5.088 124.528 119.800 -0.600 0.000 2.377 410 Q HA 0.676 5.016 4.340 -0.001 0.000 0.271 410 Q C -2.048 173.716 176.000 -0.393 0.000 1.077 410 Q CA -0.643 54.953 55.803 -0.344 0.000 0.820 410 Q CB 2.132 30.751 28.738 -0.198 0.000 1.347 410 Q HN 0.691 nan 8.270 nan 0.000 0.444 411 F N 0.658 120.470 119.950 -0.229 0.000 2.669 411 F HA 0.582 5.108 4.527 -0.001 0.000 0.315 411 F C -1.596 174.203 175.800 -0.001 0.000 1.109 411 F CA -0.239 57.700 58.000 -0.103 0.000 1.028 411 F CB 1.494 40.534 39.000 0.068 0.000 1.287 411 F HN 0.505 nan 8.300 nan 0.000 0.452 412 S N 4.598 119.805 115.700 -0.823 0.000 2.536 412 S HA 0.608 5.078 4.470 -0.001 0.000 0.287 412 S C -2.044 172.079 174.600 -0.794 0.000 1.101 412 S CA -0.625 57.197 58.200 -0.631 0.000 0.950 412 S CB 1.992 64.987 63.200 -0.341 0.000 1.056 412 S HN 0.644 nan 8.310 nan 0.000 0.481 413 Y N 0.988 120.898 120.300 -0.650 0.000 2.524 413 Y HA 0.613 5.163 4.550 -0.001 0.000 0.347 413 Y C -1.107 174.552 175.900 -0.402 0.000 1.005 413 Y CA -0.387 57.380 58.100 -0.554 0.000 1.025 413 Y CB 1.785 39.921 38.460 -0.541 0.000 1.275 413 Y HN 0.550 nan 8.280 nan 0.000 0.460 414 T N 6.536 120.376 114.554 -1.190 0.000 2.815 414 T HA 0.409 4.759 4.350 -0.001 0.000 0.289 414 T C -0.820 173.204 174.700 -1.126 0.000 1.000 414 T CA -0.403 61.192 62.100 -0.842 0.000 0.958 414 T CB 0.095 68.675 68.868 -0.479 0.000 0.944 414 T HN 0.411 nan 8.240 nan 0.000 0.442 415 F N 2.592 122.148 119.950 -0.658 0.000 2.490 415 F HA 0.228 4.755 4.527 -0.001 0.000 0.336 415 F C 1.530 177.147 175.800 -0.306 0.000 1.178 415 F CA -0.457 57.316 58.000 -0.378 0.000 1.301 415 F CB 0.573 39.425 39.000 -0.247 0.000 1.175 415 F HN 0.568 nan 8.300 nan 0.000 0.593 416 E N -0.154 120.045 120.200 -0.001 0.000 2.359 416 E HA 0.229 4.579 4.350 -0.001 0.000 0.255 416 E C -1.315 175.262 176.600 -0.039 0.000 1.191 416 E CA -0.964 55.414 56.400 -0.037 0.000 0.952 416 E CB 0.379 30.080 29.700 0.002 0.000 1.152 416 E HN 0.358 nan 8.360 nan 0.000 0.496 417 D N 0.637 121.008 120.400 -0.048 0.000 2.342 417 D HA 0.180 4.820 4.640 -0.001 0.000 0.260 417 D C -1.134 175.138 176.300 -0.046 0.000 1.278 417 D CA 0.201 54.164 54.000 -0.062 0.000 0.910 417 D CB 0.982 41.754 40.800 -0.047 0.000 1.079 417 D HN 0.218 nan 8.370 nan 0.000 0.496 418 V N 4.422 124.293 119.914 -0.071 0.000 2.577 418 V HA 0.444 4.564 4.120 -0.001 0.000 0.303 418 V C -2.454 173.634 176.094 -0.011 0.000 1.042 418 V CA -2.383 59.917 62.300 0.001 0.000 0.872 418 V CB 2.050 33.924 31.823 0.084 0.000 0.998 418 V HN 0.325 nan 8.190 nan 0.000 0.423 419 P HA 0.077 nan 4.420 nan 0.000 0.266 419 P C -0.522 176.871 177.300 0.155 0.000 1.186 419 P CA 0.333 63.481 63.100 0.081 0.000 0.767 419 P CB 0.101 31.855 31.700 0.090 0.000 0.820 420 F N 0.824 120.873 119.950 0.164 0.000 2.595 420 F HA 0.018 4.544 4.527 -0.001 0.000 0.359 420 F C 1.785 177.667 175.800 0.136 0.000 1.147 420 F CA 0.481 58.593 58.000 0.186 0.000 1.341 420 F CB -0.055 39.031 39.000 0.143 0.000 1.104 420 F HN 0.423 nan 8.300 nan 0.000 0.603 421 H N 0.889 120.031 119.070 0.120 0.000 2.679 421 H HA 0.199 4.754 4.556 -0.001 0.000 0.369 421 H C -0.368 174.963 175.328 0.006 0.000 1.178 421 H CA -0.437 55.525 56.048 -0.145 0.000 1.419 421 H CB 0.689 30.133 29.762 -0.530 0.000 1.458 421 H HN 0.471 nan 8.280 nan 0.000 0.605 422 S N 2.429 117.561 115.700 -0.947 0.000 2.416 422 S HA 0.084 4.553 4.470 -0.001 0.000 0.302 422 S C 0.124 174.418 174.600 -0.511 0.000 1.120 422 S CA -0.401 57.416 58.200 -0.638 0.000 1.067 422 S CB 0.302 62.964 63.200 -0.897 0.000 1.057 422 S HN 0.592 nan 8.310 nan 0.000 0.518 423 S N 2.961 118.673 115.700 0.019 0.000 2.602 423 S HA 0.257 4.726 4.470 -0.001 0.000 0.246 423 S C -0.184 174.495 174.600 0.132 0.000 1.009 423 S CA -0.555 57.730 58.200 0.142 0.000 1.052 423 S CB -0.508 62.863 63.200 0.285 0.000 0.778 423 S HN 0.806 nan 8.310 nan 0.000 0.455 424 Y N -1.714 118.464 120.300 -0.203 0.000 2.638 424 Y HA 0.891 5.441 4.550 -0.001 0.000 0.339 424 Y C -0.815 174.877 175.900 -0.345 0.000 1.084 424 Y CA -1.886 56.022 58.100 -0.320 0.000 1.068 424 Y CB 0.733 38.799 38.460 -0.657 0.000 1.294 424 Y HN -0.057 nan 8.280 nan 0.000 0.480 425 A N 1.085 123.751 122.820 -0.256 0.000 2.414 425 A HA 0.540 4.860 4.320 -0.001 0.000 0.306 425 A C -1.504 175.961 177.584 -0.199 0.000 1.054 425 A CA -0.889 50.965 52.037 -0.304 0.000 0.724 425 A CB 0.683 19.590 19.000 -0.155 0.000 1.267 425 A HN 0.843 nan 8.150 nan 0.000 0.418 426 H N 1.800 120.847 119.070 -0.038 0.000 2.764 426 H HA 0.124 4.679 4.556 -0.001 0.000 0.341 426 H C 1.361 176.685 175.328 -0.008 0.000 1.072 426 H CA 0.999 57.047 56.048 -0.001 0.000 1.444 426 H CB 1.351 31.107 29.762 -0.010 0.000 1.458 426 H HN 0.784 nan 8.280 nan 0.000 0.572 427 S N 2.205 117.976 115.700 0.118 0.000 2.558 427 S HA 0.039 4.508 4.470 -0.001 0.000 0.217 427 S C 0.582 175.223 174.600 0.069 0.000 0.975 427 S CA -0.086 58.159 58.200 0.076 0.000 0.912 427 S CB 0.487 63.728 63.200 0.067 0.000 0.776 427 S HN 0.595 nan 8.310 nan 0.000 0.526 428 Q N 0.386 120.232 119.800 0.078 0.000 2.486 428 Q HA 0.661 5.001 4.340 -0.001 0.000 0.274 428 Q C -1.130 174.887 176.000 0.028 0.000 1.076 428 Q CA -0.803 55.026 55.803 0.042 0.000 0.872 428 Q CB 1.901 30.655 28.738 0.026 0.000 1.383 428 Q HN 0.264 nan 8.270 nan 0.000 0.478 429 S N -0.376 115.329 115.700 0.008 0.000 2.526 429 S HA 0.325 4.795 4.470 -0.001 0.000 0.293 429 S C 0.686 175.281 174.600 -0.009 0.000 1.092 429 S CA -0.565 57.633 58.200 -0.003 0.000 0.980 429 S CB 0.877 64.079 63.200 0.003 0.000 1.048 429 S HN 0.717 nan 8.310 nan 0.000 0.483 430 L N 2.298 123.512 121.223 -0.015 0.000 2.137 430 L HA -0.167 4.173 4.340 -0.001 0.000 0.213 430 L C 1.918 178.806 176.870 0.030 0.000 1.085 430 L CA 2.067 56.915 54.840 0.015 0.000 0.760 430 L CB -0.224 41.850 42.059 0.025 0.000 0.893 430 L HN 0.819 nan 8.230 nan 0.000 0.434 431 D N -1.633 118.770 120.400 0.005 0.000 2.355 431 D HA -0.081 4.559 4.640 -0.001 0.000 0.206 431 D C 0.879 177.173 176.300 -0.011 0.000 1.010 431 D CA 0.130 54.126 54.000 -0.008 0.000 0.875 431 D CB 0.033 40.818 40.800 -0.025 0.000 0.966 431 D HN 0.152 nan 8.370 nan 0.000 0.512 432 R N 1.172 121.670 120.500 -0.004 0.000 4.017 432 R HA 0.236 4.575 4.340 -0.001 0.000 0.272 432 R C 0.554 176.858 176.300 0.006 0.000 1.516 432 R CA -0.272 55.826 56.100 -0.003 0.000 1.519 432 R CB 0.449 30.748 30.300 -0.000 0.000 1.422 432 R HN 0.199 nan 8.270 nan 0.000 0.719 433 L N 0.482 121.711 121.223 0.009 0.000 2.609 433 L HA 0.224 4.564 4.340 -0.001 0.000 0.230 433 L C 0.349 177.229 176.870 0.017 0.000 1.064 433 L CA 0.854 55.708 54.840 0.023 0.000 0.873 433 L CB 0.139 42.230 42.059 0.053 0.000 1.139 433 L HN 0.196 nan 8.230 nan 0.000 0.490 434 M N -0.873 118.726 119.600 -0.001 0.000 2.116 434 M HA 0.269 4.749 4.480 -0.001 0.000 0.235 434 M C 0.418 176.713 176.300 -0.008 0.000 1.193 434 M CA -0.372 54.921 55.300 -0.011 0.000 0.959 434 M CB -0.806 31.772 32.600 -0.036 0.000 1.313 434 M HN -0.140 nan 8.290 nan 0.000 0.530 435 N N 0.766 119.458 118.700 -0.013 0.000 2.408 435 N HA 0.300 5.040 4.740 -0.001 0.000 0.257 435 N C -2.149 173.354 175.510 -0.012 0.000 1.064 435 N CA -1.702 51.343 53.050 -0.008 0.000 0.952 435 N CB 0.702 39.186 38.487 -0.006 0.000 1.093 435 N HN 0.345 nan 8.380 nan 0.000 0.490 436 P HA -0.020 nan 4.420 nan 0.000 0.225 436 P C 0.815 178.111 177.300 -0.007 0.000 1.148 436 P CA 0.642 63.737 63.100 -0.008 0.000 0.779 436 P CB 0.488 32.186 31.700 -0.003 0.000 0.780 437 L N -2.121 119.099 121.223 -0.005 0.000 2.470 437 L HA 0.140 4.480 4.340 -0.001 0.000 0.219 437 L C 1.023 177.891 176.870 -0.003 0.000 1.071 437 L CA 0.687 55.525 54.840 -0.003 0.000 0.850 437 L CB -0.287 41.771 42.059 -0.001 0.000 1.040 437 L HN -0.126 nan 8.230 nan 0.000 0.475 438 I N -0.679 119.887 120.570 -0.006 0.000 2.607 438 I HA 0.307 4.477 4.170 -0.001 0.000 0.305 438 I C -0.526 175.580 176.117 -0.019 0.000 0.995 438 I CA -0.839 60.458 61.300 -0.006 0.000 1.148 438 I CB 1.288 39.288 38.000 0.001 0.000 1.323 438 I HN -0.061 nan 8.210 nan 0.000 0.461 439 D N 2.945 123.333 120.400 -0.019 0.000 2.253 439 D HA 0.370 5.009 4.640 -0.001 0.000 0.249 439 D C 0.189 176.451 176.300 -0.064 0.000 1.049 439 D CA -0.346 53.630 54.000 -0.040 0.000 0.929 439 D CB 0.849 41.627 40.800 -0.036 0.000 1.176 439 D HN 0.351 nan 8.370 nan 0.000 0.437 440 Q N 0.132 119.862 119.800 -0.118 0.000 2.500 440 Q HA 0.164 4.504 4.340 -0.001 0.000 0.215 440 Q C 0.135 176.036 176.000 -0.165 0.000 1.062 440 Q CA -0.217 55.456 55.803 -0.217 0.000 0.996 440 Q CB 0.463 29.041 28.738 -0.266 0.000 1.239 440 Q HN 0.692 nan 8.270 nan 0.000 0.578 441 Y N -2.012 118.253 120.300 -0.058 0.000 2.531 441 Y HA 0.433 4.983 4.550 -0.001 0.000 0.249 441 Y C -0.185 175.707 175.900 -0.013 0.000 1.168 441 Y CA -0.510 57.568 58.100 -0.037 0.000 1.226 441 Y CB 0.379 38.846 38.460 0.013 0.000 1.177 441 Y HN 0.173 nan 8.280 nan 0.000 0.527 442 L N 0.981 122.159 121.223 -0.075 0.000 2.360 442 L HA 0.430 4.770 4.340 -0.001 0.000 0.271 442 L C -1.088 175.752 176.870 -0.049 0.000 1.057 442 L CA -1.044 53.825 54.840 0.049 0.000 0.803 442 L CB 1.091 43.129 42.059 -0.036 0.000 1.207 442 L HN 0.084 nan 8.230 nan 0.000 0.445 443 Y N 0.400 120.742 120.300 0.070 0.000 2.468 443 Y HA 0.468 5.018 4.550 -0.001 0.000 0.342 443 Y C -0.411 175.576 175.900 0.145 0.000 1.021 443 Y CA -0.620 57.513 58.100 0.054 0.000 1.079 443 Y CB 1.852 40.292 38.460 -0.032 0.000 1.226 443 Y HN 0.393 nan 8.280 nan 0.000 0.460 444 Y N 0.435 120.884 120.300 0.248 0.000 2.602 444 Y HA 0.728 5.277 4.550 -0.001 0.000 0.342 444 Y C -1.629 174.482 175.900 0.352 0.000 1.029 444 Y CA -1.868 56.372 58.100 0.232 0.000 1.080 444 Y CB 1.149 39.671 38.460 0.103 0.000 1.284 444 Y HN 0.546 nan 8.280 nan 0.000 0.485 445 L N 3.251 124.726 121.223 0.420 0.000 2.257 445 L HA 0.411 4.750 4.340 -0.001 0.000 0.290 445 L C -0.035 176.915 176.870 0.132 0.000 1.044 445 L CA -0.079 54.845 54.840 0.139 0.000 0.810 445 L CB 0.587 42.700 42.059 0.090 0.000 1.193 445 L HN 1.044 nan 8.230 nan 0.000 0.425 446 N N 2.575 121.278 118.700 0.005 0.000 2.210 446 N HA 0.164 4.903 4.740 -0.001 0.000 0.203 446 N C -0.383 175.124 175.510 -0.005 0.000 1.175 446 N CA -0.658 52.453 53.050 0.101 0.000 0.894 446 N CB 0.584 39.210 38.487 0.232 0.000 1.041 446 N HN 0.335 nan 8.380 nan 0.000 0.506 447 R N 1.050 121.489 120.500 -0.102 0.000 2.476 447 R HA 0.257 4.597 4.340 -0.001 0.000 0.305 447 R C 0.073 176.288 176.300 -0.141 0.000 0.965 447 R CA -0.318 55.721 56.100 -0.102 0.000 0.867 447 R CB 1.487 31.727 30.300 -0.101 0.000 1.176 447 R HN 0.236 nan 8.270 nan 0.000 0.447 448 T N -1.544 112.956 114.554 -0.091 0.000 3.042 448 T HA -0.063 4.287 4.350 -0.001 0.000 0.245 448 T C 1.302 175.961 174.700 -0.068 0.000 1.029 448 T CA 0.492 62.540 62.100 -0.086 0.000 1.120 448 T CB 0.360 69.197 68.868 -0.051 0.000 0.917 448 T HN 0.589 nan 8.240 nan 0.000 0.467 449 Q N 1.067 120.836 119.800 -0.052 0.000 2.577 449 Q HA 0.360 4.700 4.340 -0.001 0.000 0.242 449 Q C 1.510 177.488 176.000 -0.038 0.000 0.818 449 Q CA -0.014 55.765 55.803 -0.040 0.000 0.962 449 Q CB -0.492 28.229 28.738 -0.028 0.000 1.272 449 Q HN 0.320 nan 8.270 nan 0.000 0.593 450 G N 1.740 110.520 108.800 -0.034 0.000 2.151 450 G HA2 0.272 4.232 3.960 -0.001 0.000 0.269 450 G HA3 0.272 4.232 3.960 -0.001 0.000 0.269 450 G C -0.421 174.460 174.900 -0.032 0.000 1.069 450 G CA 0.856 45.939 45.100 -0.028 0.000 1.080 450 G HN 0.370 nan 8.290 nan 0.000 0.405 451 T N 0.734 115.272 114.554 -0.026 0.000 2.551 451 T HA 0.332 4.682 4.350 -0.001 0.000 0.249 451 T C 0.670 175.360 174.700 -0.017 0.000 0.851 451 T CA -0.578 61.507 62.100 -0.025 0.000 1.149 451 T CB 0.608 69.460 68.868 -0.027 0.000 1.456 451 T HN 0.184 nan 8.240 nan 0.000 0.514 452 T N 2.856 117.401 114.554 -0.015 0.000 3.826 452 T HA 0.121 4.470 4.350 -0.001 0.000 0.239 452 T C 0.621 175.315 174.700 -0.010 0.000 1.007 452 T CA 0.150 62.243 62.100 -0.011 0.000 1.171 452 T CB -0.651 68.212 68.868 -0.009 0.000 1.153 452 T HN 0.532 nan 8.240 nan 0.000 0.854 453 S N 2.614 118.308 115.700 -0.010 0.000 3.829 453 S HA 0.350 4.819 4.470 -0.001 0.000 0.250 453 S C 1.247 175.842 174.600 -0.007 0.000 1.263 453 S CA -0.159 58.036 58.200 -0.009 0.000 0.955 453 S CB -0.642 62.553 63.200 -0.010 0.000 1.611 453 S HN 0.812 nan 8.310 nan 0.000 0.483 454 G N 2.009 110.805 108.800 -0.007 0.000 2.449 454 G HA2 0.293 4.252 3.960 -0.001 0.000 0.192 454 G HA3 0.293 4.252 3.960 -0.001 0.000 0.192 454 G C -0.223 174.674 174.900 -0.006 0.000 1.776 454 G CA -0.119 44.978 45.100 -0.006 0.000 0.699 454 G HN 0.513 nan 8.290 nan 0.000 0.745 455 T N 1.580 116.131 114.554 -0.006 0.000 2.824 455 T HA 0.476 4.826 4.350 -0.001 0.000 0.280 455 T C 0.278 174.974 174.700 -0.006 0.000 0.995 455 T CA 0.548 62.645 62.100 -0.005 0.000 1.009 455 T CB 1.259 70.124 68.868 -0.004 0.000 0.955 455 T HN 0.505 nan 8.240 nan 0.000 0.452 456 T N 3.292 117.842 114.554 -0.006 0.000 3.935 456 T HA -0.173 4.176 4.350 -0.001 0.000 0.346 456 T C 0.162 174.858 174.700 -0.008 0.000 0.758 456 T CA 0.584 62.680 62.100 -0.006 0.000 1.874 456 T CB -1.231 67.634 68.868 -0.005 0.000 1.875 456 T HN 0.617 nan 8.240 nan 0.000 0.802 457 N N 1.677 120.372 118.700 -0.009 0.000 2.851 457 N HA 0.126 4.866 4.740 -0.001 0.000 0.248 457 N C 1.423 176.925 175.510 -0.012 0.000 1.221 457 N CA -0.459 52.584 53.050 -0.011 0.000 0.847 457 N CB 1.288 39.768 38.487 -0.012 0.000 1.150 457 N HN 0.534 nan 8.380 nan 0.000 0.507 458 Q N 0.278 120.070 119.800 -0.012 0.000 2.036 458 Q HA 0.042 4.382 4.340 -0.001 0.000 0.195 458 Q C 0.327 176.317 176.000 -0.017 0.000 0.971 458 Q CA 0.842 56.638 55.803 -0.013 0.000 0.826 458 Q CB -0.073 28.659 28.738 -0.011 0.000 0.896 458 Q HN 0.337 nan 8.270 nan 0.000 0.449 459 S N -1.045 114.643 115.700 -0.020 0.000 2.596 459 S HA 0.787 5.256 4.470 -0.001 0.000 0.270 459 S C -1.018 173.562 174.600 -0.032 0.000 1.155 459 S CA -1.006 57.177 58.200 -0.027 0.000 0.827 459 S CB 3.082 66.267 63.200 -0.025 0.000 1.130 459 S HN 0.422 nan 8.310 nan 0.000 0.467 460 R N 0.215 120.686 120.500 -0.048 0.000 2.687 460 R HA 0.414 4.754 4.340 -0.001 0.000 0.265 460 R C -2.097 174.140 176.300 -0.105 0.000 1.048 460 R CA -0.768 55.297 56.100 -0.058 0.000 0.884 460 R CB 1.008 31.278 30.300 -0.050 0.000 1.258 460 R HN 0.781 nan 8.270 nan 0.000 0.469 461 L N 5.143 126.292 121.223 -0.123 0.000 2.259 461 L HA 0.450 4.790 4.340 -0.001 0.000 0.288 461 L C -0.676 175.945 176.870 -0.416 0.000 1.051 461 L CA -0.432 54.249 54.840 -0.264 0.000 0.824 461 L CB 0.847 42.813 42.059 -0.154 0.000 1.206 461 L HN 0.345 nan 8.230 nan 0.000 0.429 462 L N 3.669 124.563 121.223 -0.550 0.000 2.365 462 L HA 0.590 4.930 4.340 -0.001 0.000 0.273 462 L C -0.921 175.562 176.870 -0.646 0.000 1.000 462 L CA -0.458 54.117 54.840 -0.441 0.000 0.819 462 L CB 1.965 43.905 42.059 -0.199 0.000 1.284 462 L HN 0.303 nan 8.230 nan 0.000 0.418 463 F N 0.302 120.216 119.950 -0.060 0.000 2.520 463 F HA 0.518 5.044 4.527 -0.001 0.000 0.322 463 F C 0.318 176.069 175.800 -0.081 0.000 1.103 463 F CA -0.526 57.424 58.000 -0.083 0.000 0.926 463 F CB 2.231 41.206 39.000 -0.042 0.000 1.154 463 F HN 0.266 nan 8.300 nan 0.000 0.453 464 S N 1.568 117.161 115.700 -0.180 0.000 2.503 464 S HA 0.308 4.777 4.470 -0.001 0.000 0.301 464 S C -0.825 173.511 174.600 -0.440 0.000 1.087 464 S CA -0.802 57.228 58.200 -0.285 0.000 1.042 464 S CB 1.664 64.616 63.200 -0.413 0.000 1.043 464 S HN 0.658 nan 8.310 nan 0.000 0.489 465 Q N 2.385 121.966 119.800 -0.365 0.000 2.286 465 Q HA 0.529 4.868 4.340 -0.001 0.000 0.257 465 Q C -0.179 175.700 176.000 -0.202 0.000 0.941 465 Q CA -0.707 54.652 55.803 -0.740 0.000 0.912 465 Q CB 0.787 28.967 28.738 -0.931 0.000 1.192 465 Q HN 0.759 nan 8.270 nan 0.000 0.410 466 A N 3.165 125.961 122.820 -0.041 0.000 2.565 466 A HA 0.459 4.779 4.320 -0.001 0.000 0.237 466 A C 0.313 177.899 177.584 0.002 0.000 1.053 466 A CA 0.764 52.872 52.037 0.119 0.000 0.755 466 A CB 0.038 19.047 19.000 0.016 0.000 0.980 466 A HN 0.863 nan 8.150 nan 0.000 0.506 467 G N 1.156 109.974 108.800 0.029 0.000 2.642 467 G HA2 0.583 4.542 3.960 -0.001 0.000 0.293 467 G HA3 0.583 4.542 3.960 -0.001 0.000 0.293 467 G C -2.372 172.522 174.900 -0.011 0.000 1.341 467 G CA -1.170 43.930 45.100 -0.001 0.000 0.916 467 G HN 0.302 nan 8.290 nan 0.000 0.474 468 P HA -0.109 nan 4.420 nan 0.000 0.221 468 P C 1.577 178.870 177.300 -0.012 0.000 1.145 468 P CA 1.119 64.209 63.100 -0.017 0.000 0.795 468 P CB 0.332 32.025 31.700 -0.011 0.000 0.775 469 Q N -0.251 119.548 119.800 -0.002 0.000 1.994 469 Q HA -0.044 4.296 4.340 -0.001 0.000 0.198 469 Q C 1.333 177.332 176.000 -0.001 0.000 0.976 469 Q CA 1.557 57.362 55.803 0.003 0.000 0.828 469 Q CB -0.771 27.976 28.738 0.015 0.000 0.894 469 Q HN 0.295 nan 8.270 nan 0.000 0.432 470 S N 0.338 116.043 115.700 0.009 0.000 3.864 470 S HA 0.129 4.599 4.470 -0.001 0.000 0.202 470 S C 0.994 175.545 174.600 -0.082 0.000 1.402 470 S CA -0.204 57.984 58.200 -0.019 0.000 1.072 470 S CB -0.177 63.050 63.200 0.046 0.000 1.383 470 S HN 0.246 nan 8.310 nan 0.000 0.458 471 M N 2.109 121.672 119.600 -0.062 0.000 2.319 471 M HA -0.061 4.418 4.480 -0.001 0.000 0.265 471 M C 1.636 177.882 176.300 -0.090 0.000 1.068 471 M CA 1.350 56.610 55.300 -0.067 0.000 1.118 471 M CB -0.041 32.534 32.600 -0.043 0.000 1.395 471 M HN 0.684 nan 8.290 nan 0.000 0.435 472 S N -1.142 114.497 115.700 -0.101 0.000 2.574 472 S HA 0.260 4.730 4.470 -0.001 0.000 0.242 472 S C 0.840 175.343 174.600 -0.162 0.000 0.982 472 S CA -0.544 57.591 58.200 -0.109 0.000 0.977 472 S CB -0.159 62.993 63.200 -0.081 0.000 0.814 472 S HN 0.545 nan 8.310 nan 0.000 0.464 473 L N -0.229 120.846 121.223 -0.247 0.000 2.840 473 L HA 0.314 4.654 4.340 -0.001 0.000 0.249 473 L C 0.634 177.220 176.870 -0.474 0.000 1.119 473 L CA -0.230 54.357 54.840 -0.422 0.000 0.930 473 L CB 0.096 41.749 42.059 -0.678 0.000 1.295 473 L HN 0.264 nan 8.230 nan 0.000 0.534 474 Q N 1.349 120.960 119.800 -0.315 0.000 2.428 474 Q HA 0.278 4.618 4.340 -0.001 0.000 0.276 474 Q C 0.507 176.409 176.000 -0.164 0.000 1.059 474 Q CA -0.094 55.578 55.803 -0.218 0.000 0.923 474 Q CB 0.838 29.488 28.738 -0.146 0.000 1.283 474 Q HN 0.274 nan 8.270 nan 0.000 0.447 475 A N 2.075 124.822 122.820 -0.122 0.000 2.531 475 A HA 0.156 4.476 4.320 -0.001 0.000 0.236 475 A C 0.035 177.545 177.584 -0.124 0.000 1.062 475 A CA 0.260 52.236 52.037 -0.103 0.000 0.760 475 A CB 0.283 19.230 19.000 -0.089 0.000 0.995 475 A HN 0.604 nan 8.150 nan 0.000 0.501 476 R N 0.319 120.746 120.500 -0.123 0.000 2.892 476 R HA 0.483 4.823 4.340 -0.001 0.000 0.265 476 R C 0.348 176.510 176.300 -0.230 0.000 1.025 476 R CA -0.604 55.411 56.100 -0.142 0.000 0.982 476 R CB 1.041 31.287 30.300 -0.092 0.000 1.185 476 R HN 0.732 nan 8.270 nan 0.000 0.484 477 N N -0.455 118.023 118.700 -0.370 0.000 2.332 477 N HA 0.174 4.914 4.740 -0.001 0.000 0.190 477 N C -0.968 173.995 175.510 -0.912 0.000 1.117 477 N CA 0.345 52.926 53.050 -0.782 0.000 0.883 477 N CB 0.473 38.270 38.487 -1.150 0.000 1.089 477 N HN 0.361 nan 8.380 nan 0.000 0.480 478 W N 0.165 121.468 121.300 0.004 0.000 3.029 478 W HA 0.590 5.250 4.660 -0.001 0.000 0.339 478 W C -0.609 175.926 176.519 0.027 0.000 1.198 478 W CA -0.816 56.541 57.345 0.019 0.000 1.148 478 W CB 0.831 30.295 29.460 0.007 0.000 1.451 478 W HN -0.355 nan 8.180 nan 0.000 0.564 479 L N 1.941 123.357 121.223 0.323 0.000 2.322 479 L HA 0.626 4.965 4.340 -0.001 0.000 0.269 479 L C -2.104 174.894 176.870 0.213 0.000 1.012 479 L CA -2.807 52.164 54.840 0.217 0.000 0.815 479 L CB 0.578 42.769 42.059 0.218 0.000 1.295 479 L HN 0.049 nan 8.230 nan 0.000 0.438 480 P HA 0.223 nan 4.420 nan 0.000 0.275 480 P C -0.068 177.379 177.300 0.245 0.000 1.266 480 P CA -0.345 62.850 63.100 0.158 0.000 0.793 480 P CB 0.443 32.179 31.700 0.060 0.000 1.074 481 G N 0.596 109.541 108.800 0.242 0.000 2.683 481 G HA2 0.300 4.260 3.960 -0.001 0.000 0.260 481 G HA3 0.300 4.260 3.960 -0.001 0.000 0.260 481 G C -2.296 172.651 174.900 0.079 0.000 1.238 481 G CA -0.929 44.276 45.100 0.175 0.000 0.934 481 G HN 0.363 nan 8.290 nan 0.000 0.534 482 P HA 0.262 nan 4.420 nan 0.000 0.274 482 P C -0.040 177.200 177.300 -0.100 0.000 1.260 482 P CA -0.113 62.864 63.100 -0.204 0.000 0.793 482 P CB 0.831 32.316 31.700 -0.358 0.000 1.048 483 C N -0.819 118.410 119.300 -0.118 0.000 3.239 483 C HA 0.694 5.154 4.460 -0.001 0.000 0.317 483 C C -1.677 173.346 174.990 0.056 0.000 1.310 483 C CA -0.732 58.288 59.018 0.003 0.000 1.371 483 C CB 0.696 28.502 27.740 0.110 0.000 1.714 483 C HN 0.617 nan 8.230 nan 0.000 0.473 484 Y N 1.924 122.194 120.300 -0.049 0.000 2.484 484 Y HA 0.484 5.033 4.550 -0.001 0.000 0.348 484 Y C 0.417 176.310 175.900 -0.011 0.000 1.103 484 Y CA -0.313 57.764 58.100 -0.038 0.000 1.317 484 Y CB 0.434 38.877 38.460 -0.028 0.000 1.096 484 Y HN 1.034 nan 8.280 nan 0.000 0.568 485 R N 3.692 124.105 120.500 -0.146 0.000 2.500 485 R HA -0.001 4.339 4.340 -0.001 0.000 0.281 485 R C -0.383 175.871 176.300 -0.076 0.000 0.953 485 R CA 0.787 56.831 56.100 -0.093 0.000 1.108 485 R CB 0.502 30.730 30.300 -0.120 0.000 0.901 485 R HN 0.614 nan 8.270 nan 0.000 0.410 486 Q N 2.159 121.940 119.800 -0.032 0.000 2.241 486 Q HA 0.134 4.473 4.340 -0.001 0.000 0.262 486 Q C -0.710 175.249 176.000 -0.068 0.000 1.014 486 Q CA -0.857 54.913 55.803 -0.055 0.000 0.885 486 Q CB 1.626 30.318 28.738 -0.076 0.000 1.311 486 Q HN 0.504 nan 8.270 nan 0.000 0.461 487 Q N 1.141 120.896 119.800 -0.074 0.000 2.340 487 Q HA 0.151 4.491 4.340 -0.001 0.000 0.249 487 Q C -0.815 175.150 176.000 -0.058 0.000 0.957 487 Q CA 0.162 55.947 55.803 -0.031 0.000 0.882 487 Q CB 0.763 29.540 28.738 0.065 0.000 1.235 487 Q HN 0.381 nan 8.270 nan 0.000 0.439 488 R N 3.006 123.480 120.500 -0.043 0.000 2.308 488 R HA 0.445 4.785 4.340 -0.001 0.000 0.305 488 R C -1.186 175.096 176.300 -0.030 0.000 1.053 488 R CA -0.448 55.617 56.100 -0.058 0.000 0.957 488 R CB 0.356 30.599 30.300 -0.096 0.000 1.022 488 R HN 0.526 nan 8.270 nan 0.000 0.461 489 L N 1.776 122.887 121.223 -0.185 0.000 2.341 489 L HA 0.434 4.774 4.340 -0.001 0.000 0.267 489 L C -0.250 176.515 176.870 -0.175 0.000 1.009 489 L CA -0.184 54.485 54.840 -0.285 0.000 0.819 489 L CB 2.020 43.578 42.059 -0.834 0.000 1.323 489 L HN 0.574 nan 8.230 nan 0.000 0.425 490 S N 0.095 115.761 115.700 -0.057 0.000 2.537 490 S HA 0.456 4.925 4.470 -0.001 0.000 0.301 490 S C 0.742 175.341 174.600 -0.002 0.000 1.092 490 S CA -0.570 57.521 58.200 -0.181 0.000 1.048 490 S CB 1.108 64.142 63.200 -0.277 0.000 1.053 490 S HN 0.641 nan 8.310 nan 0.000 0.501 491 K N 1.111 121.515 120.400 0.007 0.000 2.296 491 K HA 0.031 4.351 4.320 -0.001 0.000 0.200 491 K C 0.194 176.802 176.600 0.013 0.000 1.048 491 K CA 0.731 57.069 56.287 0.086 0.000 0.966 491 K CB -0.203 32.318 32.500 0.034 0.000 0.754 491 K HN 0.541 nan 8.250 nan 0.000 0.466 492 T N 1.749 116.275 114.554 -0.048 0.000 2.727 492 T HA 0.215 4.565 4.350 -0.001 0.000 0.295 492 T C 0.495 175.194 174.700 -0.000 0.000 0.915 492 T CA -0.366 61.714 62.100 -0.033 0.000 1.066 492 T CB 1.298 70.130 68.868 -0.060 0.000 0.891 492 T HN 0.118 nan 8.240 nan 0.000 0.516 493 A N 3.939 126.769 122.820 0.018 0.000 2.190 493 A HA 0.069 4.389 4.320 -0.001 0.000 0.226 493 A C 1.516 179.122 177.584 0.036 0.000 1.402 493 A CA -0.088 51.971 52.037 0.037 0.000 1.288 493 A CB -0.800 18.221 19.000 0.035 0.000 0.833 493 A HN 0.956 nan 8.150 nan 0.000 0.564 494 N N -2.553 116.165 118.700 0.030 0.000 1.952 494 N HA -0.033 4.706 4.740 -0.001 0.000 0.228 494 N C -0.517 175.015 175.510 0.036 0.000 1.398 494 N CA 0.180 53.248 53.050 0.031 0.000 0.817 494 N CB 0.112 38.610 38.487 0.019 0.000 1.101 494 N HN 0.141 nan 8.380 nan 0.000 0.498 495 D N 0.853 121.277 120.400 0.041 0.000 2.323 495 D HA 0.092 4.732 4.640 -0.001 0.000 0.209 495 D C 0.096 176.446 176.300 0.083 0.000 0.973 495 D CA 0.539 54.578 54.000 0.065 0.000 0.874 495 D CB 0.051 40.898 40.800 0.078 0.000 0.930 495 D HN 0.250 nan 8.370 nan 0.000 0.521 496 N N 1.058 119.810 118.700 0.086 0.000 2.463 496 N HA 0.033 4.773 4.740 -0.001 0.000 0.270 496 N C 0.068 175.614 175.510 0.060 0.000 1.205 496 N CA -0.333 52.781 53.050 0.106 0.000 0.974 496 N CB 0.442 39.041 38.487 0.185 0.000 1.197 496 N HN -0.001 nan 8.380 nan 0.000 0.504 497 N N 0.752 119.450 118.700 -0.003 0.000 2.492 497 N HA -0.099 4.641 4.740 -0.001 0.000 0.262 497 N C -0.166 175.364 175.510 0.033 0.000 1.202 497 N CA 0.278 53.290 53.050 -0.063 0.000 0.926 497 N CB 0.140 38.471 38.487 -0.261 0.000 1.078 497 N HN 0.472 nan 8.380 nan 0.000 0.454 498 N N 1.638 120.352 118.700 0.024 0.000 3.210 498 N HA -0.023 4.716 4.740 -0.001 0.000 0.314 498 N C -0.846 174.705 175.510 0.068 0.000 1.291 498 N CA -0.276 52.806 53.050 0.054 0.000 1.202 498 N CB -0.031 38.475 38.487 0.032 0.000 1.475 498 N HN 0.475 nan 8.380 nan 0.000 0.554 499 S N 0.036 115.810 115.700 0.124 0.000 2.661 499 S HA 0.294 4.764 4.470 -0.001 0.000 0.285 499 S C -0.773 174.022 174.600 0.324 0.000 1.138 499 S CA -1.076 57.222 58.200 0.164 0.000 0.855 499 S CB 1.603 64.859 63.200 0.094 0.000 1.136 499 S HN 0.240 nan 8.310 nan 0.000 0.484 500 N N 0.744 119.599 118.700 0.259 0.000 2.699 500 N HA 0.420 5.159 4.740 -0.001 0.000 0.232 500 N C -0.602 175.063 175.510 0.257 0.000 1.027 500 N CA -1.037 52.140 53.050 0.212 0.000 0.920 500 N CB -0.287 38.265 38.487 0.110 0.000 1.148 500 N HN 0.678 nan 8.380 nan 0.000 0.509 501 F N 1.159 121.150 119.950 0.069 0.000 2.791 501 F HA 0.573 5.100 4.527 -0.001 0.000 0.308 501 F C -1.842 174.021 175.800 0.105 0.000 1.138 501 F CA -1.609 56.437 58.000 0.077 0.000 1.294 501 F CB 0.667 39.691 39.000 0.039 0.000 0.975 501 F HN 0.190 nan 8.300 nan 0.000 0.512 502 P HA -0.076 nan 4.420 nan 0.000 0.242 502 P C 0.779 178.186 177.300 0.178 0.000 1.197 502 P CA 1.107 64.160 63.100 -0.078 0.000 0.765 502 P CB -0.052 31.614 31.700 -0.056 0.000 0.936 503 W N -0.282 121.023 121.300 0.009 0.000 3.792 503 W HA 0.021 4.680 4.660 -0.001 0.000 0.217 503 W C 0.909 177.462 176.519 0.057 0.000 1.098 503 W CA 0.845 58.205 57.345 0.025 0.000 1.657 503 W CB -0.117 29.343 29.460 -0.000 0.000 0.773 503 W HN -0.099 nan 8.180 nan 0.000 0.836 504 T N -0.484 114.129 114.554 0.099 0.000 3.055 504 T HA 0.223 4.573 4.350 -0.001 0.000 0.265 504 T C 1.354 176.049 174.700 -0.008 0.000 1.111 504 T CA 1.129 63.226 62.100 -0.005 0.000 1.118 504 T CB 0.043 68.986 68.868 0.126 0.000 0.909 504 T HN 0.087 nan 8.240 nan 0.000 0.501 505 A N 0.233 123.107 122.820 0.090 0.000 2.545 505 A HA 0.835 5.154 4.320 -0.001 0.000 0.263 505 A C 0.997 178.646 177.584 0.108 0.000 1.202 505 A CA -0.074 52.037 52.037 0.124 0.000 0.959 505 A CB 0.098 19.264 19.000 0.276 0.000 1.124 505 A HN 0.633 nan 8.150 nan 0.000 0.543 506 A N -0.010 122.846 122.820 0.060 0.000 2.279 506 A HA 0.671 4.990 4.320 -0.001 0.000 0.303 506 A C 0.375 177.995 177.584 0.061 0.000 1.108 506 A CA -0.245 51.855 52.037 0.106 0.000 0.830 506 A CB 0.382 19.527 19.000 0.241 0.000 1.106 506 A HN 0.238 nan 8.150 nan 0.000 0.493 507 S N 0.790 116.582 115.700 0.152 0.000 2.549 507 S HA 0.452 4.922 4.470 -0.001 0.000 0.279 507 S C 0.007 174.736 174.600 0.216 0.000 1.321 507 S CA -0.220 58.099 58.200 0.199 0.000 1.054 507 S CB 0.173 63.553 63.200 0.300 0.000 0.899 507 S HN 0.668 nan 8.310 nan 0.000 0.497 508 K N 1.143 121.648 120.400 0.175 0.000 2.571 508 K HA 0.581 4.901 4.320 -0.001 0.000 0.289 508 K C -1.611 175.076 176.600 0.144 0.000 1.028 508 K CA -1.049 55.261 56.287 0.039 0.000 0.895 508 K CB 1.160 33.527 32.500 -0.222 0.000 1.534 508 K HN 0.582 nan 8.250 nan 0.000 0.421 509 Y N -1.675 118.649 120.300 0.041 0.000 2.638 509 Y HA 0.620 5.170 4.550 -0.001 0.000 0.339 509 Y C -1.098 174.876 175.900 0.123 0.000 1.084 509 Y CA -1.062 57.073 58.100 0.059 0.000 1.068 509 Y CB 1.641 40.084 38.460 -0.028 0.000 1.294 509 Y HN 0.750 nan 8.280 nan 0.000 0.480 510 H N 1.955 121.179 119.070 0.257 0.000 2.877 510 H HA 0.550 5.106 4.556 -0.001 0.000 0.347 510 H C -2.366 173.099 175.328 0.229 0.000 1.042 510 H CA -1.050 55.090 56.048 0.154 0.000 1.276 510 H CB 1.575 31.381 29.762 0.073 0.000 1.681 510 H HN 0.880 nan 8.280 nan 0.000 0.521 511 L N 4.174 125.482 121.223 0.141 0.000 2.305 511 L HA 0.184 4.524 4.340 -0.001 0.000 0.284 511 L C 0.399 177.339 176.870 0.117 0.000 1.013 511 L CA -0.646 54.233 54.840 0.065 0.000 0.819 511 L CB 1.074 43.231 42.059 0.164 0.000 1.227 511 L HN 0.866 nan 8.230 nan 0.000 0.417 512 N N 3.173 121.923 118.700 0.083 0.000 2.758 512 N HA -0.174 4.565 4.740 -0.001 0.000 0.248 512 N C 0.640 176.266 175.510 0.194 0.000 1.076 512 N CA 1.115 54.240 53.050 0.125 0.000 0.696 512 N CB -0.767 37.782 38.487 0.103 0.000 0.979 512 N HN 1.059 nan 8.380 nan 0.000 0.550 513 G N 0.004 109.016 108.800 0.353 0.000 2.273 513 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.280 513 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.280 513 G C -0.106 174.928 174.900 0.224 0.000 1.047 513 G CA 0.594 45.874 45.100 0.300 0.000 0.869 513 G HN 0.750 nan 8.290 nan 0.000 0.502 514 R N 0.397 121.064 120.500 0.278 0.000 2.507 514 R HA 0.280 4.619 4.340 -0.001 0.000 0.298 514 R C -1.117 175.294 176.300 0.185 0.000 1.087 514 R CA -0.835 55.383 56.100 0.198 0.000 0.917 514 R CB 0.794 31.195 30.300 0.170 0.000 1.173 514 R HN 0.133 nan 8.270 nan 0.000 0.472 515 D N 1.972 122.476 120.400 0.173 0.000 2.417 515 D HA 0.097 4.736 4.640 -0.001 0.000 0.250 515 D C -0.608 175.725 176.300 0.054 0.000 1.166 515 D CA 0.808 54.876 54.000 0.112 0.000 0.881 515 D CB 1.541 42.432 40.800 0.152 0.000 1.164 515 D HN 0.334 nan 8.370 nan 0.000 0.467 516 S N 1.634 117.157 115.700 -0.295 0.000 2.521 516 S HA 0.301 4.770 4.470 -0.001 0.000 0.295 516 S C -0.376 173.953 174.600 -0.451 0.000 1.098 516 S CA -0.764 57.189 58.200 -0.412 0.000 0.999 516 S CB 1.813 64.575 63.200 -0.731 0.000 1.034 516 S HN 0.295 nan 8.310 nan 0.000 0.483 517 L N 4.054 125.185 121.223 -0.152 0.000 2.418 517 L HA 0.306 4.646 4.340 -0.001 0.000 0.274 517 L C -0.239 176.574 176.870 -0.094 0.000 1.135 517 L CA 0.179 54.943 54.840 -0.127 0.000 0.870 517 L CB 0.525 42.529 42.059 -0.091 0.000 1.154 517 L HN 0.506 nan 8.230 nan 0.000 0.462 518 V N 6.867 126.794 119.914 0.022 0.000 2.070 518 V HA -0.004 4.116 4.120 -0.001 0.000 0.239 518 V C 1.370 177.558 176.094 0.156 0.000 1.472 518 V CA 0.122 62.518 62.300 0.159 0.000 1.453 518 V CB -0.962 30.977 31.823 0.194 0.000 1.503 518 V HN 0.914 nan 8.190 nan 0.000 0.501 519 N N 5.276 123.989 118.700 0.021 0.000 2.030 519 N HA -0.027 4.713 4.740 -0.001 0.000 0.194 519 N C -1.897 173.768 175.510 0.259 0.000 1.074 519 N CA 1.073 54.148 53.050 0.041 0.000 0.860 519 N CB -0.434 38.025 38.487 -0.046 0.000 1.055 519 N HN 0.357 nan 8.380 nan 0.000 0.429 520 P HA 0.277 nan 4.420 nan 0.000 0.291 520 P C -0.455 176.921 177.300 0.127 0.000 1.340 520 P CA -0.346 62.842 63.100 0.148 0.000 0.799 520 P CB 1.218 32.984 31.700 0.110 0.000 0.917 521 G N 4.835 113.716 108.800 0.135 0.000 2.509 521 G HA2 0.418 4.377 3.960 -0.001 0.000 0.269 521 G HA3 0.418 4.377 3.960 -0.001 0.000 0.269 521 G C -2.419 172.517 174.900 0.061 0.000 1.416 521 G CA -1.673 43.477 45.100 0.085 0.000 1.052 521 G HN 0.243 nan 8.290 nan 0.000 0.542 522 P HA 0.215 nan 4.420 nan 0.000 0.269 522 P C -0.152 177.172 177.300 0.039 0.000 1.205 522 P CA 0.161 63.259 63.100 -0.004 0.000 0.780 522 P CB 0.321 31.985 31.700 -0.061 0.000 0.858 523 A N 3.473 126.320 122.820 0.045 0.000 2.496 523 A HA 0.306 4.626 4.320 -0.001 0.000 0.278 523 A C 0.113 177.741 177.584 0.074 0.000 1.137 523 A CA 0.510 52.600 52.037 0.088 0.000 0.805 523 A CB -1.038 18.043 19.000 0.134 0.000 1.077 523 A HN 0.427 nan 8.150 nan 0.000 0.513 524 M N 2.248 121.896 119.600 0.081 0.000 2.518 524 M HA 0.555 5.034 4.480 -0.001 0.000 0.300 524 M C 0.269 176.611 176.300 0.070 0.000 1.175 524 M CA -0.433 54.911 55.300 0.073 0.000 0.890 524 M CB 2.295 34.939 32.600 0.074 0.000 1.710 524 M HN 0.678 nan 8.290 nan 0.000 0.453 525 A N 1.106 123.954 122.820 0.047 0.000 2.445 525 A HA 0.328 4.648 4.320 -0.001 0.000 0.242 525 A C 0.770 178.374 177.584 0.033 0.000 1.075 525 A CA -0.172 51.876 52.037 0.018 0.000 0.777 525 A CB 0.219 19.204 19.000 -0.026 0.000 1.013 525 A HN 0.936 nan 8.150 nan 0.000 0.493 526 S N 0.460 116.181 115.700 0.035 0.000 2.395 526 S HA 0.040 4.509 4.470 -0.001 0.000 0.225 526 S C 0.679 175.402 174.600 0.205 0.000 1.027 526 S CA 1.281 59.567 58.200 0.143 0.000 0.965 526 S CB -0.261 63.083 63.200 0.240 0.000 0.812 526 S HN 0.951 nan 8.310 nan 0.000 0.482 527 H N 0.250 119.384 119.070 0.107 0.000 3.037 527 H HA 0.498 5.054 4.556 -0.001 0.000 0.355 527 H C -1.213 174.160 175.328 0.075 0.000 1.263 527 H CA -1.188 54.924 56.048 0.107 0.000 1.129 527 H CB 0.972 30.827 29.762 0.156 0.000 1.861 527 H HN 0.088 nan 8.280 nan 0.000 0.546 528 K N 0.771 121.268 120.400 0.162 0.000 2.179 528 K HA 0.224 4.544 4.320 -0.001 0.000 0.238 528 K C -0.602 176.101 176.600 0.172 0.000 1.033 528 K CA -0.774 55.564 56.287 0.086 0.000 0.926 528 K CB 0.650 33.179 32.500 0.048 0.000 1.151 528 K HN 0.327 nan 8.250 nan 0.000 0.492 529 D N 1.271 121.731 120.400 0.100 0.000 2.449 529 D HA -0.017 4.623 4.640 -0.001 0.000 0.236 529 D C -0.423 175.953 176.300 0.128 0.000 1.149 529 D CA 0.938 55.005 54.000 0.111 0.000 0.878 529 D CB 0.071 40.907 40.800 0.061 0.000 1.198 529 D HN 0.567 nan 8.370 nan 0.000 0.446 530 D N 1.471 121.945 120.400 0.125 0.000 2.699 530 D HA -0.171 4.469 4.640 -0.001 0.000 0.239 530 D C 0.552 176.919 176.300 0.112 0.000 1.136 530 D CA 0.921 54.979 54.000 0.097 0.000 0.668 530 D CB -0.444 40.398 40.800 0.070 0.000 1.060 530 D HN 0.587 nan 8.370 nan 0.000 0.429 531 E N -0.719 119.558 120.200 0.129 0.000 3.470 531 E HA 0.091 4.441 4.350 -0.001 0.000 0.220 531 E C 0.645 177.203 176.600 -0.071 0.000 1.260 531 E CA -0.086 56.383 56.400 0.115 0.000 1.240 531 E CB 0.405 30.256 29.700 0.252 0.000 2.780 531 E HN 0.049 nan 8.360 nan 0.000 0.573 532 E N 0.759 120.714 120.200 -0.407 0.000 3.916 532 E HA -0.264 4.085 4.350 -0.001 0.000 0.331 532 E C 0.769 177.153 176.600 -0.361 0.000 0.729 532 E CA 1.786 57.717 56.400 -0.783 0.000 1.222 532 E CB -1.044 28.456 29.700 -0.333 0.000 1.633 532 E HN 0.318 nan 8.360 nan 0.000 0.437 533 K N -0.982 119.284 120.400 -0.224 0.000 2.399 533 K HA 0.176 4.496 4.320 -0.001 0.000 0.196 533 K C 0.133 176.592 176.600 -0.234 0.000 1.103 533 K CA 0.115 56.260 56.287 -0.236 0.000 0.986 533 K CB 0.263 32.555 32.500 -0.347 0.000 0.952 533 K HN 0.053 nan 8.250 nan 0.000 0.541 534 F N 3.004 122.966 119.950 0.019 0.000 2.404 534 F HA 0.314 4.840 4.527 -0.001 0.000 0.358 534 F C -0.171 175.705 175.800 0.127 0.000 1.120 534 F CA -1.337 56.686 58.000 0.039 0.000 1.144 534 F CB 0.673 39.679 39.000 0.010 0.000 1.133 534 F HN -0.000 nan 8.300 nan 0.000 0.495 535 F N 3.249 123.307 119.950 0.180 0.000 2.508 535 F HA 0.801 5.327 4.527 -0.001 0.000 0.325 535 F C -3.118 172.749 175.800 0.113 0.000 1.090 535 F CA -3.843 54.239 58.000 0.137 0.000 0.945 535 F CB 0.774 39.819 39.000 0.075 0.000 1.156 535 F HN 0.114 nan 8.300 nan 0.000 0.463 536 P HA 0.058 nan 4.420 nan 0.000 0.268 536 P C -0.269 176.990 177.300 -0.069 0.000 1.204 536 P CA -0.212 62.883 63.100 -0.008 0.000 0.768 536 P CB 0.639 32.374 31.700 0.058 0.000 0.842 537 M N 5.646 125.112 119.600 -0.224 0.000 2.734 537 M HA -0.072 4.407 4.480 -0.001 0.000 0.356 537 M C 1.084 177.096 176.300 -0.480 0.000 1.790 537 M CA 0.814 55.959 55.300 -0.257 0.000 1.231 537 M CB -1.405 31.039 32.600 -0.260 0.000 2.102 537 M HN 0.605 nan 8.290 nan 0.000 0.463 538 H N 0.847 120.035 119.070 0.197 0.000 2.884 538 H HA -0.198 4.358 4.556 -0.001 0.000 0.289 538 H C 0.509 175.915 175.328 0.130 0.000 1.142 538 H CA 0.586 56.723 56.048 0.149 0.000 1.158 538 H CB -2.175 27.643 29.762 0.094 0.000 1.325 538 H HN 0.880 nan 8.280 nan 0.000 0.366 539 G N 0.921 109.757 108.800 0.060 0.000 3.155 539 G HA2 0.075 4.034 3.960 -0.001 0.000 0.213 539 G HA3 0.075 4.034 3.960 -0.001 0.000 0.213 539 G C 0.416 175.404 174.900 0.147 0.000 1.196 539 G CA 0.409 45.565 45.100 0.094 0.000 0.846 539 G HN 0.918 nan 8.290 nan 0.000 0.516 540 N N -1.206 117.586 118.700 0.153 0.000 3.046 540 N HA 0.242 4.982 4.740 -0.001 0.000 0.243 540 N C -1.615 173.913 175.510 0.031 0.000 1.452 540 N CA -0.871 52.245 53.050 0.110 0.000 0.882 540 N CB 0.941 39.497 38.487 0.116 0.000 1.425 540 N HN -0.189 nan 8.380 nan 0.000 0.517 541 L N 0.398 121.598 121.223 -0.037 0.000 2.371 541 L HA 0.521 4.860 4.340 -0.001 0.000 0.272 541 L C 0.017 176.647 176.870 -0.401 0.000 1.124 541 L CA -0.042 54.666 54.840 -0.220 0.000 0.816 541 L CB 0.318 42.231 42.059 -0.244 0.000 1.129 541 L HN 0.515 nan 8.230 nan 0.000 0.448 542 I N 2.795 123.067 120.570 -0.498 0.000 2.499 542 I HA 0.358 4.527 4.170 -0.001 0.000 0.288 542 I C -0.998 174.808 176.117 -0.519 0.000 1.048 542 I CA -0.385 60.660 61.300 -0.425 0.000 1.062 542 I CB 1.474 39.338 38.000 -0.227 0.000 1.238 542 I HN 0.295 nan 8.210 nan 0.000 0.426 543 F N 2.916 122.818 119.950 -0.079 0.000 2.443 543 F HA 0.618 5.145 4.527 -0.001 0.000 0.335 543 F C 0.992 176.758 175.800 -0.058 0.000 1.104 543 F CA -0.736 57.232 58.000 -0.053 0.000 1.013 543 F CB 1.851 40.822 39.000 -0.048 0.000 1.136 543 F HN 0.409 nan 8.300 nan 0.000 0.470 544 G N 2.747 111.632 108.800 0.141 0.000 2.353 544 G HA2 0.342 4.302 3.960 -0.001 0.000 0.284 544 G HA3 0.342 4.302 3.960 -0.001 0.000 0.284 544 G C -0.504 174.417 174.900 0.036 0.000 1.172 544 G CA -0.716 44.417 45.100 0.055 0.000 0.854 544 G HN 0.559 nan 8.290 nan 0.000 0.485 545 K N 0.696 121.093 120.400 -0.004 0.000 2.285 545 K HA 0.031 4.351 4.320 -0.001 0.000 0.255 545 K C 0.306 176.882 176.600 -0.040 0.000 1.000 545 K CA -0.076 56.187 56.287 -0.040 0.000 0.887 545 K CB 0.549 33.014 32.500 -0.057 0.000 0.997 545 K HN 0.495 nan 8.250 nan 0.000 0.510 546 E N 0.535 120.693 120.200 -0.069 0.000 2.351 546 E HA 0.099 4.449 4.350 -0.001 0.000 0.266 546 E C -0.295 176.279 176.600 -0.043 0.000 1.031 546 E CA 0.975 57.340 56.400 -0.059 0.000 0.911 546 E CB 0.116 29.761 29.700 -0.093 0.000 0.986 546 E HN 0.630 nan 8.360 nan 0.000 0.446 547 G N 3.684 112.470 108.800 -0.023 0.000 2.694 547 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.247 547 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.247 547 G C -0.409 174.479 174.900 -0.020 0.000 0.989 547 G CA 0.093 45.182 45.100 -0.019 0.000 1.252 547 G HN 0.628 nan 8.290 nan 0.000 0.483 548 T N 1.401 115.948 114.554 -0.012 0.000 3.578 548 T HA 0.460 4.809 4.350 -0.001 0.000 0.343 548 T C 0.349 175.043 174.700 -0.009 0.000 1.126 548 T CA -0.089 62.003 62.100 -0.014 0.000 1.092 548 T CB 1.179 70.037 68.868 -0.017 0.000 1.160 548 T HN 0.794 nan 8.240 nan 0.000 0.469 549 T N 2.510 117.058 114.554 -0.011 0.000 2.939 549 T HA 0.168 4.517 4.350 -0.001 0.000 0.312 549 T C 1.630 176.324 174.700 -0.010 0.000 1.064 549 T CA 0.279 62.373 62.100 -0.010 0.000 1.136 549 T CB 0.474 69.335 68.868 -0.012 0.000 1.035 549 T HN 0.768 nan 8.240 nan 0.000 0.538 550 A N 2.517 125.332 122.820 -0.008 0.000 2.206 550 A HA 0.219 4.539 4.320 -0.001 0.000 0.211 550 A C 1.426 178.999 177.584 -0.018 0.000 1.158 550 A CA 0.262 52.292 52.037 -0.011 0.000 0.761 550 A CB 0.163 19.158 19.000 -0.007 0.000 0.801 550 A HN 0.608 nan 8.150 nan 0.000 0.473 551 S N 0.144 115.833 115.700 -0.018 0.000 2.530 551 S HA 0.417 4.887 4.470 -0.001 0.000 0.322 551 S C -0.462 174.125 174.600 -0.020 0.000 1.085 551 S CA -0.702 57.484 58.200 -0.022 0.000 1.096 551 S CB -0.304 62.883 63.200 -0.022 0.000 0.988 551 S HN 0.539 nan 8.310 nan 0.000 0.466 552 N N 2.264 120.951 118.700 -0.022 0.000 2.620 552 N HA -0.202 4.537 4.740 -0.001 0.000 0.293 552 N C -0.500 175.000 175.510 -0.017 0.000 1.178 552 N CA 0.662 53.701 53.050 -0.018 0.000 0.750 552 N CB -0.419 38.058 38.487 -0.017 0.000 0.949 552 N HN 0.670 nan 8.380 nan 0.000 0.555 553 A N 1.212 124.021 122.820 -0.018 0.000 2.306 553 A HA 0.578 4.897 4.320 -0.001 0.000 0.330 553 A C 0.322 177.893 177.584 -0.020 0.000 1.146 553 A CA -0.547 51.478 52.037 -0.019 0.000 0.827 553 A CB 1.027 20.015 19.000 -0.021 0.000 1.178 553 A HN 0.497 nan 8.150 nan 0.000 0.490 554 E N 0.120 120.308 120.200 -0.020 0.000 2.408 554 E HA 0.180 4.529 4.350 -0.001 0.000 0.259 554 E C 0.884 177.467 176.600 -0.029 0.000 1.110 554 E CA -0.172 56.216 56.400 -0.020 0.000 0.929 554 E CB 0.572 30.261 29.700 -0.019 0.000 0.971 554 E HN 0.554 nan 8.360 nan 0.000 0.438 555 L N 2.433 123.639 121.223 -0.027 0.000 2.265 555 L HA -0.105 4.234 4.340 -0.001 0.000 0.215 555 L C 0.762 177.601 176.870 -0.053 0.000 1.117 555 L CA 1.798 56.612 54.840 -0.044 0.000 0.782 555 L CB -0.092 41.950 42.059 -0.030 0.000 0.914 555 L HN 0.549 nan 8.230 nan 0.000 0.441 556 D N -0.705 119.670 120.400 -0.041 0.000 2.349 556 D HA -0.038 4.602 4.640 -0.001 0.000 0.224 556 D C 0.918 177.191 176.300 -0.045 0.000 1.029 556 D CA 0.328 54.302 54.000 -0.043 0.000 0.879 556 D CB -0.008 40.771 40.800 -0.036 0.000 0.906 556 D HN 0.412 nan 8.370 nan 0.000 0.528 557 N N 0.051 118.725 118.700 -0.044 0.000 2.205 557 N HA 0.025 4.765 4.740 -0.001 0.000 0.201 557 N C 0.238 175.724 175.510 -0.041 0.000 1.128 557 N CA 0.068 53.093 53.050 -0.041 0.000 0.867 557 N CB 1.608 40.075 38.487 -0.033 0.000 0.996 557 N HN 0.097 nan 8.380 nan 0.000 0.503 558 V N -2.118 117.766 119.914 -0.051 0.000 3.113 558 V HA 0.661 4.781 4.120 -0.001 0.000 0.316 558 V C -0.375 175.684 176.094 -0.058 0.000 1.125 558 V CA -0.979 61.290 62.300 -0.051 0.000 1.026 558 V CB 2.447 34.227 31.823 -0.072 0.000 1.080 558 V HN -0.185 nan 8.190 nan 0.000 0.444 559 M N 2.844 122.424 119.600 -0.032 0.000 2.085 559 M HA 0.585 5.065 4.480 -0.001 0.000 0.309 559 M C -1.019 175.248 176.300 -0.056 0.000 0.947 559 M CA -0.135 55.152 55.300 -0.022 0.000 0.918 559 M CB 1.678 34.304 32.600 0.043 0.000 1.504 559 M HN 0.554 nan 8.290 nan 0.000 0.420 560 I N 2.353 122.850 120.570 -0.122 0.000 2.428 560 I HA 0.370 4.539 4.170 -0.001 0.000 0.296 560 I C 0.588 176.642 176.117 -0.104 0.000 0.985 560 I CA -0.681 60.512 61.300 -0.179 0.000 1.260 560 I CB 1.798 39.598 38.000 -0.333 0.000 1.389 560 I HN 0.605 nan 8.210 nan 0.000 0.484 561 T N 0.297 114.785 114.554 -0.111 0.000 2.767 561 T HA 0.307 4.657 4.350 -0.001 0.000 0.288 561 T C -0.553 174.182 174.700 0.059 0.000 0.963 561 T CA -0.847 61.202 62.100 -0.085 0.000 1.019 561 T CB 1.462 70.161 68.868 -0.281 0.000 0.923 561 T HN 0.372 nan 8.240 nan 0.000 0.468 562 D N 2.173 122.652 120.400 0.131 0.000 2.274 562 D HA 0.203 4.843 4.640 -0.001 0.000 0.239 562 D C -0.084 176.340 176.300 0.207 0.000 1.104 562 D CA -0.421 53.698 54.000 0.198 0.000 0.840 562 D CB 0.930 41.868 40.800 0.230 0.000 1.100 562 D HN 0.454 nan 8.370 nan 0.000 0.477 563 E N 3.264 123.568 120.200 0.172 0.000 2.360 563 E HA 0.061 4.411 4.350 -0.001 0.000 0.253 563 E C 0.073 176.692 176.600 0.031 0.000 1.189 563 E CA -0.044 56.435 56.400 0.132 0.000 1.252 563 E CB 0.325 30.108 29.700 0.140 0.000 1.408 563 E HN 0.651 nan 8.360 nan 0.000 0.464 564 E N -0.359 119.843 120.200 0.003 0.000 2.501 564 E HA 0.098 4.448 4.350 -0.001 0.000 0.200 564 E C 0.303 176.870 176.600 -0.054 0.000 1.016 564 E CA 0.035 56.377 56.400 -0.097 0.000 0.921 564 E CB 0.297 29.903 29.700 -0.156 0.000 1.034 564 E HN -0.001 nan 8.360 nan 0.000 0.468 565 E N 1.084 121.264 120.200 -0.032 0.000 2.340 565 E HA 0.081 4.431 4.350 -0.001 0.000 0.194 565 E C 1.705 178.278 176.600 -0.044 0.000 0.996 565 E CA 0.414 56.783 56.400 -0.052 0.000 0.869 565 E CB 0.112 29.763 29.700 -0.082 0.000 0.835 565 E HN 0.533 nan 8.360 nan 0.000 0.493 566 I N -1.892 118.663 120.570 -0.024 0.000 3.855 566 I HA 0.248 4.418 4.170 -0.001 0.000 0.327 566 I C 1.038 177.166 176.117 0.019 0.000 1.359 566 I CA -0.125 61.179 61.300 0.006 0.000 1.142 566 I CB 0.112 38.126 38.000 0.022 0.000 1.041 566 I HN -0.127 nan 8.210 nan 0.000 0.403 567 R N 1.494 121.991 120.500 -0.006 0.000 2.249 567 R HA -0.093 4.246 4.340 -0.001 0.000 0.230 567 R C 1.995 178.298 176.300 0.005 0.000 1.121 567 R CA 1.911 58.003 56.100 -0.013 0.000 0.997 567 R CB -0.364 29.915 30.300 -0.035 0.000 0.867 567 R HN 0.655 nan 8.270 nan 0.000 0.465 568 T N -3.823 110.746 114.554 0.024 0.000 3.057 568 T HA 0.018 4.367 4.350 -0.001 0.000 0.254 568 T C 1.680 176.385 174.700 0.010 0.000 1.094 568 T CA 0.937 63.049 62.100 0.020 0.000 1.088 568 T CB 0.380 69.273 68.868 0.042 0.000 0.934 568 T HN 0.267 nan 8.240 nan 0.000 0.497 569 T N -1.593 112.983 114.554 0.036 0.000 2.964 569 T HA 0.316 4.665 4.350 -0.001 0.000 0.250 569 T C 0.322 175.078 174.700 0.093 0.000 0.982 569 T CA -0.474 61.654 62.100 0.047 0.000 0.959 569 T CB -0.252 68.650 68.868 0.057 0.000 1.141 569 T HN 0.339 nan 8.240 nan 0.000 0.494 570 N N 2.183 120.932 118.700 0.082 0.000 2.319 570 N HA 0.608 5.348 4.740 -0.001 0.000 0.305 570 N C -3.103 172.439 175.510 0.054 0.000 1.103 570 N CA -1.898 51.207 53.050 0.092 0.000 0.815 570 N CB 1.781 40.327 38.487 0.099 0.000 1.288 570 N HN 0.059 nan 8.380 nan 0.000 0.493 571 P HA 0.055 nan 4.420 nan 0.000 0.272 571 P C -0.697 176.627 177.300 0.040 0.000 1.230 571 P CA -0.384 62.741 63.100 0.041 0.000 0.788 571 P CB 0.560 32.334 31.700 0.125 0.000 0.949 572 V N 1.386 121.311 119.914 0.018 0.000 2.614 572 V HA 0.184 4.304 4.120 -0.001 0.000 0.291 572 V C 1.635 177.750 176.094 0.034 0.000 1.049 572 V CA 0.438 62.749 62.300 0.019 0.000 1.038 572 V CB 0.236 32.062 31.823 0.004 0.000 0.980 572 V HN 0.710 nan 8.190 nan 0.000 0.481 573 A N 3.793 126.639 122.820 0.043 0.000 1.902 573 A HA -0.147 4.172 4.320 -0.001 0.000 0.217 573 A C 2.221 179.815 177.584 0.016 0.000 1.181 573 A CA 2.321 54.385 52.037 0.044 0.000 0.623 573 A CB -0.709 18.326 19.000 0.058 0.000 0.818 573 A HN 1.007 nan 8.150 nan 0.000 0.443 574 T N -2.560 111.997 114.554 0.004 0.000 3.014 574 T HA 0.067 4.417 4.350 -0.001 0.000 0.263 574 T C 0.765 175.439 174.700 -0.044 0.000 1.078 574 T CA 0.429 62.511 62.100 -0.029 0.000 1.135 574 T CB -0.162 68.682 68.868 -0.040 0.000 0.895 574 T HN 0.379 nan 8.240 nan 0.000 0.480 575 E N 2.393 122.575 120.200 -0.031 0.000 2.376 575 E HA 0.210 4.560 4.350 -0.001 0.000 0.254 575 E C 0.559 177.148 176.600 -0.019 0.000 1.213 575 E CA -0.319 56.058 56.400 -0.038 0.000 0.945 575 E CB 0.475 30.154 29.700 -0.036 0.000 1.057 575 E HN 0.758 nan 8.360 nan 0.000 0.479 576 Q N -0.331 119.457 119.800 -0.020 0.000 2.700 576 Q HA -0.013 4.327 4.340 -0.001 0.000 0.191 576 Q C 0.656 176.691 176.000 0.059 0.000 1.134 576 Q CA 0.042 55.851 55.803 0.010 0.000 1.193 576 Q CB 0.164 28.900 28.738 -0.003 0.000 1.250 576 Q HN 0.621 nan 8.270 nan 0.000 0.670 577 Y N -1.288 118.987 120.300 -0.041 0.000 2.351 577 Y HA 0.411 4.961 4.550 -0.001 0.000 0.291 577 Y C 0.635 176.521 175.900 -0.024 0.000 1.153 577 Y CA 1.154 59.236 58.100 -0.030 0.000 1.193 577 Y CB 0.831 39.272 38.460 -0.032 0.000 1.187 577 Y HN 0.802 nan 8.280 nan 0.000 0.524 578 G N -1.195 107.634 108.800 0.048 0.000 2.588 578 G HA2 0.400 4.359 3.960 -0.001 0.000 0.281 578 G HA3 0.400 4.359 3.960 -0.001 0.000 0.281 578 G C -1.456 173.465 174.900 0.035 0.000 1.223 578 G CA -0.364 44.711 45.100 -0.041 0.000 0.871 578 G HN -0.066 nan 8.290 nan 0.000 0.492 579 T N 0.177 114.747 114.554 0.027 0.000 2.879 579 T HA 0.613 4.963 4.350 -0.001 0.000 0.290 579 T C -0.855 173.865 174.700 0.034 0.000 0.993 579 T CA -0.229 61.885 62.100 0.022 0.000 0.975 579 T CB 1.659 70.527 68.868 -0.001 0.000 0.981 579 T HN 0.615 nan 8.240 nan 0.000 0.439 580 V N 2.167 122.099 119.914 0.031 0.000 2.628 580 V HA 0.851 4.971 4.120 -0.001 0.000 0.306 580 V C 0.348 176.452 176.094 0.016 0.000 1.045 580 V CA -1.202 61.115 62.300 0.028 0.000 0.905 580 V CB 1.729 33.569 31.823 0.028 0.000 0.997 580 V HN 1.063 nan 8.190 nan 0.000 0.436 581 A N 3.162 125.991 122.820 0.015 0.000 2.322 581 A HA 0.677 4.996 4.320 -0.001 0.000 0.269 581 A C 0.423 178.012 177.584 0.008 0.000 1.094 581 A CA -0.380 51.663 52.037 0.011 0.000 0.807 581 A CB 0.180 19.188 19.000 0.013 0.000 1.047 581 A HN 1.061 nan 8.150 nan 0.000 0.487 582 N N 1.135 119.838 118.700 0.005 0.000 2.604 582 N HA 0.122 4.862 4.740 -0.001 0.000 0.284 582 N C -1.201 174.310 175.510 0.003 0.000 1.716 582 N CA -0.419 52.633 53.050 0.003 0.000 0.859 582 N CB 0.110 38.597 38.487 0.001 0.000 1.403 582 N HN 0.740 nan 8.380 nan 0.000 0.501 583 N N -0.208 118.495 118.700 0.004 0.000 3.355 583 N HA 0.203 4.942 4.740 -0.001 0.000 0.238 583 N C -1.729 173.785 175.510 0.006 0.000 1.466 583 N CA -0.583 52.469 53.050 0.004 0.000 0.882 583 N CB 0.721 39.209 38.487 0.002 0.000 1.406 583 N HN 0.047 nan 8.380 nan 0.000 0.500 584 L N 1.404 122.631 121.223 0.005 0.000 2.417 584 L HA 0.273 4.613 4.340 -0.001 0.000 0.258 584 L C 0.118 176.992 176.870 0.006 0.000 1.088 584 L CA -0.851 53.993 54.840 0.007 0.000 0.975 584 L CB 0.508 42.571 42.059 0.007 0.000 1.341 584 L HN 0.601 nan 8.230 nan 0.000 0.431 585 Q N 2.009 121.813 119.800 0.006 0.000 2.349 585 Q HA 0.407 4.746 4.340 -0.001 0.000 0.287 585 Q C 0.041 176.043 176.000 0.004 0.000 1.044 585 Q CA -0.003 55.803 55.803 0.004 0.000 0.918 585 Q CB 1.137 29.878 28.738 0.004 0.000 1.242 585 Q HN 0.558 nan 8.270 nan 0.000 0.405 586 S N 0.469 116.170 115.700 0.002 0.000 2.757 586 S HA 0.429 4.899 4.470 -0.001 0.000 0.285 586 S C 0.447 175.046 174.600 -0.000 0.000 1.196 586 S CA -0.308 57.893 58.200 0.002 0.000 0.856 586 S CB 0.324 63.526 63.200 0.003 0.000 1.212 586 S HN 0.858 nan 8.310 nan 0.000 0.516 587 S N 1.223 116.922 115.700 -0.001 0.000 2.402 587 S HA -0.090 4.379 4.470 -0.001 0.000 0.229 587 S C 1.252 175.851 174.600 -0.002 0.000 1.021 587 S CA 1.103 59.302 58.200 -0.002 0.000 0.974 587 S CB -0.872 62.326 63.200 -0.002 0.000 0.800 587 S HN 0.646 nan 8.310 nan 0.000 0.484 588 N N 1.535 120.234 118.700 -0.001 0.000 2.300 588 N HA 0.044 4.783 4.740 -0.001 0.000 0.179 588 N C -0.055 175.454 175.510 -0.002 0.000 1.016 588 N CA 0.924 53.973 53.050 -0.001 0.000 0.876 588 N CB -0.133 38.353 38.487 -0.001 0.000 0.979 588 N HN 0.423 nan 8.380 nan 0.000 0.432 589 T N 0.416 114.969 114.554 -0.001 0.000 2.807 589 T HA 0.616 4.965 4.350 -0.001 0.000 0.279 589 T C -0.342 174.357 174.700 -0.002 0.000 0.993 589 T CA -0.807 61.293 62.100 -0.001 0.000 0.970 589 T CB 2.417 71.285 68.868 -0.000 0.000 0.950 589 T HN 0.104 nan 8.240 nan 0.000 0.441 590 A N 4.943 127.762 122.820 -0.003 0.000 2.328 590 A HA 0.624 4.943 4.320 -0.001 0.000 0.284 590 A C -2.156 175.426 177.584 -0.002 0.000 1.160 590 A CA -1.661 50.374 52.037 -0.003 0.000 0.818 590 A CB -0.260 18.737 19.000 -0.004 0.000 1.087 590 A HN 0.578 nan 8.150 nan 0.000 0.504 591 P HA 0.077 nan 4.420 nan 0.000 0.261 591 P C -0.319 176.980 177.300 -0.001 0.000 1.183 591 P CA 0.554 63.654 63.100 -0.000 0.000 0.761 591 P CB 0.275 31.975 31.700 0.001 0.000 0.785 592 T N 2.563 117.116 114.554 -0.001 0.000 2.867 592 T HA 0.408 4.758 4.350 -0.001 0.000 0.282 592 T C 0.177 174.876 174.700 -0.001 0.000 1.000 592 T CA -0.223 61.876 62.100 -0.002 0.000 1.042 592 T CB 0.957 69.823 68.868 -0.003 0.000 0.973 592 T HN 0.235 nan 8.240 nan 0.000 0.465 593 T N 3.357 117.909 114.554 -0.004 0.000 2.824 593 T HA 0.527 4.877 4.350 -0.001 0.000 0.282 593 T C -0.467 174.230 174.700 -0.005 0.000 0.993 593 T CA -0.761 61.338 62.100 -0.003 0.000 0.967 593 T CB 1.114 69.980 68.868 -0.005 0.000 0.960 593 T HN 0.281 nan 8.240 nan 0.000 0.441 594 R N 2.290 122.789 120.500 -0.002 0.000 2.480 594 R HA 0.389 4.729 4.340 -0.001 0.000 0.306 594 R C -0.837 175.463 176.300 0.001 0.000 0.958 594 R CA -0.473 55.624 56.100 -0.004 0.000 0.861 594 R CB 1.458 31.755 30.300 -0.004 0.000 1.171 594 R HN 0.601 nan 8.270 nan 0.000 0.445 595 T N 3.377 117.928 114.554 -0.005 0.000 2.779 595 T HA 0.067 4.416 4.350 -0.001 0.000 0.296 595 T C -0.172 174.531 174.700 0.006 0.000 0.938 595 T CA -0.033 62.067 62.100 0.000 0.000 1.119 595 T CB 0.649 69.510 68.868 -0.012 0.000 0.891 595 T HN 0.352 nan 8.240 nan 0.000 0.526 596 V N 5.844 125.780 119.914 0.036 0.000 2.408 596 V HA 0.272 4.392 4.120 -0.001 0.000 0.267 596 V C 0.603 176.717 176.094 0.033 0.000 1.047 596 V CA -0.344 61.977 62.300 0.034 0.000 0.937 596 V CB 0.459 32.327 31.823 0.075 0.000 0.999 596 V HN 0.833 nan 8.190 nan 0.000 0.472 597 N N 4.464 123.143 118.700 -0.034 0.000 2.254 597 N HA 0.149 4.888 4.740 -0.001 0.000 0.190 597 N C -0.417 175.015 175.510 -0.130 0.000 1.107 597 N CA 0.156 53.166 53.050 -0.067 0.000 0.869 597 N CB 0.613 39.039 38.487 -0.102 0.000 0.983 597 N HN 0.787 nan 8.380 nan 0.000 0.487 598 D N 0.649 120.962 120.400 -0.145 0.000 2.855 598 D HA 0.188 4.828 4.640 -0.001 0.000 0.241 598 D C -1.537 174.633 176.300 -0.216 0.000 1.277 598 D CA -0.351 53.543 54.000 -0.176 0.000 0.918 598 D CB 1.527 42.225 40.800 -0.170 0.000 1.462 598 D HN -0.254 nan 8.370 nan 0.000 0.559 599 Q N 2.585 122.206 119.800 -0.298 0.000 2.309 599 Q HA 0.657 4.996 4.340 -0.001 0.000 0.270 599 Q C 0.096 175.917 176.000 -0.298 0.000 1.023 599 Q CA -0.710 54.834 55.803 -0.432 0.000 0.758 599 Q CB 1.674 29.800 28.738 -1.020 0.000 1.247 599 Q HN 0.529 nan 8.270 nan 0.000 0.455 600 G N 1.995 110.660 108.800 -0.226 0.000 2.441 600 G HA2 0.490 4.449 3.960 -0.001 0.000 0.258 600 G HA3 0.490 4.449 3.960 -0.001 0.000 0.258 600 G C -0.675 174.080 174.900 -0.242 0.000 1.487 600 G CA -0.046 44.923 45.100 -0.218 0.000 1.058 600 G HN 0.793 nan 8.290 nan 0.000 0.552 601 A N -1.269 121.404 122.820 -0.245 0.000 2.306 601 A HA 0.746 5.066 4.320 -0.001 0.000 0.314 601 A C -0.605 176.949 177.584 -0.050 0.000 1.164 601 A CA -0.405 51.518 52.037 -0.189 0.000 0.822 601 A CB 0.789 19.595 19.000 -0.322 0.000 1.130 601 A HN 0.512 nan 8.150 nan 0.000 0.496 602 L N 2.093 123.344 121.223 0.046 0.000 2.422 602 L HA 0.413 4.753 4.340 -0.001 0.000 0.264 602 L C -2.534 174.434 176.870 0.163 0.000 0.984 602 L CA -2.019 52.875 54.840 0.089 0.000 0.819 602 L CB 2.672 44.780 42.059 0.082 0.000 1.330 602 L HN 0.438 nan 8.230 nan 0.000 0.410 603 P HA 0.168 nan 4.420 nan 0.000 0.262 603 P C 0.680 178.102 177.300 0.204 0.000 1.199 603 P CA 0.679 63.884 63.100 0.174 0.000 0.763 603 P CB 0.723 32.501 31.700 0.130 0.000 0.790 604 G N 2.479 111.445 108.800 0.277 0.000 2.253 604 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.209 604 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.209 604 G C 0.223 175.362 174.900 0.397 0.000 0.997 604 G CA -0.529 44.804 45.100 0.388 0.000 0.640 604 G HN 0.437 nan 8.290 nan 0.000 0.496 605 M N 1.503 121.299 119.600 0.327 0.000 2.239 605 M HA 0.478 4.957 4.480 -0.001 0.000 0.348 605 M C 0.696 177.215 176.300 0.365 0.000 1.239 605 M CA 0.213 55.725 55.300 0.353 0.000 1.114 605 M CB 1.277 34.089 32.600 0.353 0.000 1.641 605 M HN 0.590 nan 8.290 nan 0.000 0.453 606 V N 1.211 121.307 119.914 0.302 0.000 2.962 606 V HA 0.949 5.069 4.120 -0.001 0.000 0.313 606 V C -1.532 174.743 176.094 0.302 0.000 1.099 606 V CA -0.652 61.711 62.300 0.105 0.000 0.971 606 V CB 1.858 33.579 31.823 -0.170 0.000 1.028 606 V HN 1.125 nan 8.190 nan 0.000 0.430 607 W N 1.517 122.777 121.300 -0.067 0.000 2.959 607 W HA 0.852 5.512 4.660 -0.001 0.000 0.358 607 W C -1.298 175.194 176.519 -0.045 0.000 1.228 607 W CA -0.763 56.554 57.345 -0.047 0.000 1.183 607 W CB 1.389 30.827 29.460 -0.036 0.000 1.467 607 W HN 0.783 nan 8.180 nan 0.000 0.578 608 Q N 1.169 121.092 119.800 0.204 0.000 2.297 608 Q HA 0.456 4.796 4.340 -0.001 0.000 0.269 608 Q C -1.085 175.036 176.000 0.202 0.000 1.051 608 Q CA -0.319 55.526 55.803 0.069 0.000 0.869 608 Q CB 1.725 30.469 28.738 0.010 0.000 1.346 608 Q HN 0.379 nan 8.270 nan 0.000 0.457 609 D N 0.124 120.582 120.400 0.096 0.000 2.440 609 D HA 0.366 5.005 4.640 -0.001 0.000 0.258 609 D C -0.462 175.906 176.300 0.114 0.000 1.092 609 D CA -0.514 53.586 54.000 0.168 0.000 1.016 609 D CB 0.852 41.758 40.800 0.178 0.000 1.141 609 D HN 0.349 nan 8.370 nan 0.000 0.552 610 R N 0.561 121.151 120.500 0.151 0.000 2.679 610 R HA 0.077 4.416 4.340 -0.001 0.000 0.268 610 R C -0.132 176.259 176.300 0.152 0.000 1.044 610 R CA 0.069 56.259 56.100 0.149 0.000 1.105 610 R CB 0.335 30.736 30.300 0.168 0.000 0.989 610 R HN 0.416 nan 8.270 nan 0.000 0.447 611 D N 0.445 120.899 120.400 0.090 0.000 2.371 611 D HA 0.172 4.812 4.640 -0.001 0.000 0.242 611 D C -0.642 175.495 176.300 -0.272 0.000 1.218 611 D CA -0.193 53.782 54.000 -0.043 0.000 0.945 611 D CB 0.938 41.600 40.800 -0.231 0.000 1.137 611 D HN 0.196 nan 8.370 nan 0.000 0.464 612 V N -0.416 119.226 119.914 -0.454 0.000 2.715 612 V HA 0.616 4.735 4.120 -0.001 0.000 0.310 612 V C -1.146 174.666 176.094 -0.471 0.000 1.054 612 V CA -0.728 61.341 62.300 -0.386 0.000 0.928 612 V CB 1.100 32.690 31.823 -0.388 0.000 1.007 612 V HN 0.456 nan 8.190 nan 0.000 0.437 613 Y N 2.333 122.701 120.300 0.113 0.000 2.509 613 Y HA 0.576 5.126 4.550 -0.001 0.000 0.341 613 Y C 0.814 176.474 175.900 -0.400 0.000 1.038 613 Y CA -0.908 57.197 58.100 0.008 0.000 1.089 613 Y CB 1.790 40.310 38.460 0.101 0.000 1.241 613 Y HN 0.627 nan 8.280 nan 0.000 0.468 614 L N 1.600 122.370 121.223 -0.756 0.000 2.151 614 L HA -0.253 4.087 4.340 -0.001 0.000 0.215 614 L C 1.723 178.339 176.870 -0.423 0.000 1.084 614 L CA 2.071 56.094 54.840 -1.361 0.000 0.764 614 L CB -0.394 40.935 42.059 -1.216 0.000 0.891 614 L HN 0.822 nan 8.230 nan 0.000 0.435 615 Q N -1.211 118.465 119.800 -0.208 0.000 2.175 615 Q HA 0.316 4.656 4.340 -0.001 0.000 0.225 615 Q C 0.591 176.604 176.000 0.021 0.000 0.837 615 Q CA 0.349 56.169 55.803 0.028 0.000 1.032 615 Q CB -0.325 28.348 28.738 -0.109 0.000 1.137 615 Q HN 0.376 nan 8.270 nan 0.000 0.483 616 G N 2.047 110.984 108.800 0.229 0.000 2.522 616 G HA2 0.516 4.476 3.960 -0.001 0.000 0.304 616 G HA3 0.516 4.476 3.960 -0.001 0.000 0.304 616 G C -2.776 172.347 174.900 0.371 0.000 1.210 616 G CA -1.407 43.977 45.100 0.473 0.000 0.960 616 G HN 0.075 nan 8.290 nan 0.000 0.497 617 P HA 0.227 nan 4.420 nan 0.000 0.272 617 P C 0.457 177.802 177.300 0.076 0.000 1.223 617 P CA -0.238 62.907 63.100 0.074 0.000 0.784 617 P CB 1.132 32.871 31.700 0.065 0.000 0.923 618 I N -0.512 119.940 120.570 -0.197 0.000 2.726 618 I HA 0.168 4.337 4.170 -0.001 0.000 0.243 618 I C 0.726 177.080 176.117 0.394 0.000 1.082 618 I CA 0.633 61.884 61.300 -0.082 0.000 1.447 618 I CB -0.381 37.560 38.000 -0.098 0.000 1.250 618 I HN 0.436 nan 8.210 nan 0.000 0.453 619 W N 1.057 122.511 121.300 0.256 0.000 3.207 619 W HA 0.824 5.483 4.660 -0.001 0.000 0.326 619 W C -1.183 175.468 176.519 0.219 0.000 1.190 619 W CA -1.202 56.322 57.345 0.298 0.000 1.011 619 W CB 0.817 30.476 29.460 0.332 0.000 1.511 619 W HN -0.035 nan 8.180 nan 0.000 0.606 620 A N 1.330 124.445 122.820 0.492 0.000 2.555 620 A HA 0.465 4.785 4.320 -0.001 0.000 0.297 620 A C -1.413 176.344 177.584 0.287 0.000 1.060 620 A CA -1.116 51.121 52.037 0.334 0.000 0.710 620 A CB 1.391 20.502 19.000 0.185 0.000 1.282 620 A HN 0.724 nan 8.150 nan 0.000 0.399 621 K N 2.296 122.821 120.400 0.208 0.000 2.412 621 K HA 0.388 4.708 4.320 -0.001 0.000 0.281 621 K C -0.655 175.912 176.600 -0.055 0.000 1.027 621 K CA -0.047 56.183 56.287 -0.094 0.000 0.989 621 K CB 0.145 32.403 32.500 -0.404 0.000 0.935 621 K HN 0.578 nan 8.250 nan 0.000 0.475 622 I N 7.756 128.241 120.570 -0.142 0.000 2.379 622 I HA 0.114 4.284 4.170 -0.001 0.000 0.290 622 I C -1.859 174.177 176.117 -0.134 0.000 1.063 622 I CA -2.283 58.922 61.300 -0.157 0.000 1.351 622 I CB 0.934 38.761 38.000 -0.289 0.000 1.410 622 I HN 0.520 nan 8.210 nan 0.000 0.505 623 P HA -0.110 nan 4.420 nan 0.000 0.262 623 P C -0.516 176.858 177.300 0.124 0.000 1.182 623 P CA 0.181 63.319 63.100 0.064 0.000 0.761 623 P CB 0.194 31.955 31.700 0.103 0.000 0.795 624 H N 2.470 121.561 119.070 0.036 0.000 3.216 624 H HA 0.239 4.794 4.556 -0.001 0.000 0.263 624 H C 0.272 175.654 175.328 0.090 0.000 1.601 624 H CA 0.085 56.169 56.048 0.060 0.000 1.509 624 H CB -0.505 29.261 29.762 0.007 0.000 1.759 624 H HN 0.333 nan 8.280 nan 0.000 0.533 625 T N -0.461 114.108 114.554 0.025 0.000 2.905 625 T HA 0.151 4.501 4.350 -0.001 0.000 0.283 625 T C 0.929 175.489 174.700 -0.235 0.000 1.031 625 T CA -0.937 61.128 62.100 -0.057 0.000 1.002 625 T CB 1.293 70.140 68.868 -0.035 0.000 1.200 625 T HN 0.229 nan 8.240 nan 0.000 0.560 626 D N 0.457 120.747 120.400 -0.183 0.000 2.224 626 D HA 0.193 4.832 4.640 -0.001 0.000 0.205 626 D C 0.918 177.033 176.300 -0.308 0.000 0.965 626 D CA 1.094 54.979 54.000 -0.192 0.000 0.852 626 D CB -0.220 40.521 40.800 -0.098 0.000 0.947 626 D HN 0.812 nan 8.370 nan 0.000 0.494 627 G N -0.719 107.831 108.800 -0.416 0.000 2.682 627 G HA2 0.536 4.495 3.960 -0.001 0.000 0.300 627 G HA3 0.536 4.495 3.960 -0.001 0.000 0.300 627 G C -1.108 173.448 174.900 -0.574 0.000 1.391 627 G CA -0.608 44.237 45.100 -0.425 0.000 0.990 627 G HN 0.021 nan 8.290 nan 0.000 0.501 628 H N 0.972 120.066 119.070 0.039 0.000 2.949 628 H HA 0.553 5.109 4.556 -0.001 0.000 0.356 628 H C -0.676 174.754 175.328 0.171 0.000 1.212 628 H CA -0.651 55.440 56.048 0.071 0.000 1.136 628 H CB 2.360 32.136 29.762 0.023 0.000 1.869 628 H HN 0.418 nan 8.280 nan 0.000 0.556 629 F N 0.102 120.155 119.950 0.172 0.000 2.376 629 F HA 0.174 4.701 4.527 -0.001 0.000 0.234 629 F C 0.507 176.451 175.800 0.240 0.000 1.010 629 F CA 0.375 58.475 58.000 0.167 0.000 1.100 629 F CB 0.436 39.509 39.000 0.123 0.000 1.360 629 F HN 0.474 nan 8.300 nan 0.000 0.649 630 H N 2.173 121.262 119.070 0.032 0.000 2.643 630 H HA 0.314 4.869 4.556 -0.001 0.000 0.259 630 H C -2.127 173.263 175.328 0.103 0.000 1.298 630 H CA -1.884 54.158 56.048 -0.010 0.000 1.301 630 H CB 0.769 30.638 29.762 0.179 0.000 1.422 630 H HN 0.081 nan 8.280 nan 0.000 0.521 631 P HA -0.054 nan 4.420 nan 0.000 0.279 631 P C 0.098 177.393 177.300 -0.009 0.000 1.451 631 P CA 0.284 63.363 63.100 -0.035 0.000 0.783 631 P CB -0.232 31.381 31.700 -0.146 0.000 1.490 632 S N 1.556 117.287 115.700 0.052 0.000 2.499 632 S HA 0.322 4.792 4.470 -0.001 0.000 0.275 632 S C -2.289 172.390 174.600 0.132 0.000 1.257 632 S CA -1.704 56.560 58.200 0.105 0.000 1.050 632 S CB -0.186 63.130 63.200 0.193 0.000 0.937 632 S HN -0.057 nan 8.310 nan 0.000 0.490 633 P HA 0.031 nan 4.420 nan 0.000 0.262 633 P C 0.595 177.967 177.300 0.121 0.000 1.182 633 P CA 0.128 63.298 63.100 0.116 0.000 0.761 633 P CB 0.337 32.113 31.700 0.126 0.000 0.795 634 L N 2.250 123.539 121.223 0.110 0.000 2.201 634 L HA -0.092 4.248 4.340 -0.001 0.000 0.212 634 L C 2.018 178.957 176.870 0.115 0.000 1.105 634 L CA 1.363 56.269 54.840 0.111 0.000 0.775 634 L CB -0.473 41.638 42.059 0.087 0.000 0.913 634 L HN 0.471 nan 8.230 nan 0.000 0.440 635 M N -0.519 119.146 119.600 0.109 0.000 2.659 635 M HA 0.151 4.631 4.480 -0.001 0.000 0.243 635 M C 0.813 177.205 176.300 0.153 0.000 1.111 635 M CA 0.494 55.865 55.300 0.118 0.000 1.070 635 M CB -0.193 32.462 32.600 0.092 0.000 1.525 635 M HN 0.329 nan 8.290 nan 0.000 0.517 636 G N -0.204 108.680 108.800 0.139 0.000 2.619 636 G HA2 0.278 4.238 3.960 -0.001 0.000 0.686 636 G HA3 0.278 4.238 3.960 -0.001 0.000 0.686 636 G C -0.275 174.684 174.900 0.097 0.000 1.256 636 G CA -0.575 44.600 45.100 0.125 0.000 0.826 636 G HN 0.777 nan 8.290 nan 0.000 0.619 637 G N -1.027 107.768 108.800 -0.010 0.000 2.428 637 G HA2 0.389 4.349 3.960 -0.001 0.000 0.202 637 G HA3 0.389 4.349 3.960 -0.001 0.000 0.202 637 G C -0.447 174.331 174.900 -0.205 0.000 1.247 637 G CA 0.054 45.090 45.100 -0.108 0.000 1.020 637 G HN 1.722 nan 8.290 nan 0.000 0.529 638 F N 1.826 121.934 119.950 0.263 0.000 2.411 638 F HA 0.586 5.113 4.527 -0.001 0.000 0.352 638 F C 1.100 177.037 175.800 0.228 0.000 1.123 638 F CA 0.169 58.304 58.000 0.225 0.000 1.044 638 F CB 2.065 41.210 39.000 0.242 0.000 1.135 638 F HN 0.734 nan 8.300 nan 0.000 0.461 639 G N 4.885 113.852 108.800 0.278 0.000 2.320 639 G HA2 0.611 4.570 3.960 -0.001 0.000 0.300 639 G HA3 0.611 4.570 3.960 -0.001 0.000 0.300 639 G C -1.016 173.956 174.900 0.119 0.000 1.126 639 G CA -0.515 44.687 45.100 0.170 0.000 0.896 639 G HN 0.570 nan 8.290 nan 0.000 0.436 640 L N 2.926 124.201 121.223 0.087 0.000 2.362 640 L HA 0.372 4.712 4.340 -0.001 0.000 0.275 640 L C 1.071 177.838 176.870 -0.171 0.000 0.998 640 L CA -1.115 53.725 54.840 0.001 0.000 0.820 640 L CB 2.336 44.423 42.059 0.046 0.000 1.270 640 L HN 0.434 nan 8.230 nan 0.000 0.415 641 K N 0.920 121.180 120.400 -0.235 0.000 2.057 641 K HA -0.030 4.289 4.320 -0.001 0.000 0.207 641 K C 0.281 176.382 176.600 -0.831 0.000 1.049 641 K CA 1.296 57.289 56.287 -0.491 0.000 0.931 641 K CB 0.063 32.295 32.500 -0.446 0.000 0.714 641 K HN 0.540 nan 8.250 nan 0.000 0.440 642 H N 0.270 119.171 119.070 -0.281 0.000 2.569 642 H HA 0.297 4.853 4.556 -0.001 0.000 0.247 642 H C -2.456 172.796 175.328 -0.126 0.000 1.346 642 H CA -2.122 53.701 56.048 -0.374 0.000 1.502 642 H CB 1.170 30.887 29.762 -0.075 0.000 1.512 642 H HN 0.029 nan 8.280 nan 0.000 0.502 643 P HA 0.155 nan 4.420 nan 0.000 0.276 643 P C -2.599 174.440 177.300 -0.434 0.000 1.261 643 P CA -1.879 61.045 63.100 -0.294 0.000 0.800 643 P CB 0.025 31.563 31.700 -0.270 0.000 1.066 644 P HA 0.023 nan 4.420 nan 0.000 0.258 644 P C -2.099 175.029 177.300 -0.286 0.000 1.172 644 P CA -0.268 62.110 63.100 -1.203 0.000 0.762 644 P CB -1.124 29.906 31.700 -1.117 0.000 0.764 645 P HA 0.030 nan 4.420 nan 0.000 0.272 645 P C -0.485 176.734 177.300 -0.134 0.000 1.240 645 P CA -0.036 63.016 63.100 -0.080 0.000 0.791 645 P CB 0.717 32.270 31.700 -0.244 0.000 0.978 646 Q N 0.628 120.326 119.800 -0.170 0.000 2.286 646 Q HA 0.332 4.671 4.340 -0.001 0.000 0.257 646 Q C -0.453 175.238 176.000 -0.514 0.000 0.941 646 Q CA -0.284 55.326 55.803 -0.323 0.000 0.912 646 Q CB 0.218 28.712 28.738 -0.406 0.000 1.192 646 Q HN 0.329 nan 8.270 nan 0.000 0.410 647 I N 3.033 123.335 120.570 -0.447 0.000 2.337 647 I HA 0.185 4.354 4.170 -0.001 0.000 0.285 647 I C -0.510 175.375 176.117 -0.387 0.000 1.041 647 I CA -0.209 60.774 61.300 -0.529 0.000 1.199 647 I CB 0.620 38.262 38.000 -0.596 0.000 1.370 647 I HN 0.478 nan 8.210 nan 0.000 0.470 648 M N 6.590 125.764 119.600 -0.710 0.000 2.274 648 M HA 0.551 5.030 4.480 -0.001 0.000 0.344 648 M C -0.648 175.635 176.300 -0.029 0.000 1.161 648 M CA -0.248 54.770 55.300 -0.469 0.000 1.126 648 M CB 1.205 33.175 32.600 -1.051 0.000 1.522 648 M HN 0.508 nan 8.290 nan 0.000 0.461 649 I N 3.117 123.836 120.570 0.249 0.000 2.722 649 I HA 0.683 4.853 4.170 -0.001 0.000 0.292 649 I C -1.832 174.284 176.117 -0.002 0.000 1.267 649 I CA -0.293 61.085 61.300 0.131 0.000 1.036 649 I CB 1.637 39.625 38.000 -0.019 0.000 1.281 649 I HN 0.679 nan 8.210 nan 0.000 0.423 650 K N 3.967 124.219 120.400 -0.246 0.000 2.578 650 K HA 0.558 4.877 4.320 -0.001 0.000 0.269 650 K C -1.906 174.519 176.600 -0.292 0.000 0.941 650 K CA -0.666 55.371 56.287 -0.415 0.000 0.847 650 K CB 0.704 32.581 32.500 -1.039 0.000 1.397 650 K HN 0.347 nan 8.250 nan 0.000 0.422 651 N N 1.304 119.907 118.700 -0.162 0.000 2.475 651 N HA 0.155 4.895 4.740 -0.001 0.000 0.267 651 N C -0.742 174.683 175.510 -0.142 0.000 1.169 651 N CA -0.214 52.785 53.050 -0.085 0.000 0.947 651 N CB 0.917 39.404 38.487 0.001 0.000 1.061 651 N HN 0.683 nan 8.380 nan 0.000 0.466 652 T N 3.654 118.125 114.554 -0.139 0.000 2.888 652 T HA 0.147 4.497 4.350 -0.001 0.000 0.301 652 T C -2.178 172.361 174.700 -0.269 0.000 1.001 652 T CA -0.699 61.291 62.100 -0.184 0.000 1.147 652 T CB 0.296 69.102 68.868 -0.103 0.000 0.931 652 T HN 0.266 nan 8.240 nan 0.000 0.541 653 P HA 0.152 nan 4.420 nan 0.000 0.263 653 P C -0.919 176.207 177.300 -0.290 0.000 1.195 653 P CA -0.131 62.465 63.100 -0.839 0.000 0.762 653 P CB 0.343 31.434 31.700 -1.015 0.000 0.799 654 V N 7.064 126.927 119.914 -0.085 0.000 2.304 654 V HA 0.265 4.385 4.120 -0.001 0.000 0.278 654 V C -2.106 174.160 176.094 0.286 0.000 1.018 654 V CA -2.100 60.250 62.300 0.084 0.000 0.814 654 V CB 1.349 33.206 31.823 0.058 0.000 1.021 654 V HN 0.460 nan 8.190 nan 0.000 0.440 655 P HA 0.210 nan 4.420 nan 0.000 0.266 655 P C 0.003 177.361 177.300 0.097 0.000 1.195 655 P CA 0.415 63.513 63.100 -0.003 0.000 0.768 655 P CB 0.773 32.169 31.700 -0.505 0.000 0.838 656 A N 3.114 126.038 122.820 0.174 0.000 2.450 656 A HA 0.251 4.570 4.320 -0.001 0.000 0.281 656 A C 0.104 177.785 177.584 0.161 0.000 1.372 656 A CA -0.667 51.456 52.037 0.145 0.000 0.886 656 A CB -0.333 18.737 19.000 0.116 0.000 1.462 656 A HN 0.591 nan 8.150 nan 0.000 0.514 657 N N 1.063 119.823 118.700 0.101 0.000 2.315 657 N HA 0.164 4.904 4.740 -0.001 0.000 0.270 657 N C -2.436 173.136 175.510 0.102 0.000 1.329 657 N CA -0.431 52.669 53.050 0.084 0.000 0.860 657 N CB 0.074 38.587 38.487 0.043 0.000 1.095 657 N HN 0.334 nan 8.380 nan 0.000 0.487 658 P HA 0.346 nan 4.420 nan 0.000 0.287 658 P C -2.539 174.797 177.300 0.060 0.000 1.270 658 P CA -1.311 61.877 63.100 0.145 0.000 0.844 658 P CB 0.413 32.250 31.700 0.229 0.000 1.068 659 P HA 0.180 nan 4.420 nan 0.000 0.275 659 P C 0.610 177.936 177.300 0.043 0.000 1.227 659 P CA -0.057 63.047 63.100 0.007 0.000 0.781 659 P CB 0.214 31.894 31.700 -0.033 0.000 0.906 660 T N -0.672 113.903 114.554 0.036 0.000 2.977 660 T HA -0.057 4.293 4.350 -0.001 0.000 0.271 660 T C 0.955 175.692 174.700 0.063 0.000 1.105 660 T CA 1.310 63.438 62.100 0.047 0.000 1.116 660 T CB -0.194 68.694 68.868 0.033 0.000 0.878 660 T HN 0.476 nan 8.240 nan 0.000 0.509 661 T N 0.982 115.570 114.554 0.056 0.000 2.867 661 T HA 0.474 4.824 4.350 -0.001 0.000 0.282 661 T C -0.907 173.861 174.700 0.114 0.000 1.000 661 T CA -0.969 61.178 62.100 0.078 0.000 1.042 661 T CB 0.299 69.191 68.868 0.039 0.000 0.973 661 T HN 0.138 nan 8.240 nan 0.000 0.465 662 F N 4.626 124.583 119.950 0.011 0.000 2.506 662 F HA 0.490 5.016 4.527 -0.001 0.000 0.371 662 F C 0.297 176.104 175.800 0.010 0.000 1.078 662 F CA -0.320 57.691 58.000 0.018 0.000 1.195 662 F CB 0.356 39.370 39.000 0.022 0.000 1.099 662 F HN 0.400 nan 8.300 nan 0.000 0.548 663 S N 7.580 122.891 115.700 -0.649 0.000 2.498 663 S HA 0.503 4.973 4.470 -0.001 0.000 0.317 663 S C -1.685 172.409 174.600 -0.843 0.000 1.090 663 S CA -1.369 56.441 58.200 -0.650 0.000 1.089 663 S CB 1.287 64.294 63.200 -0.322 0.000 0.997 663 S HN 0.559 nan 8.310 nan 0.000 0.470 664 P HA 0.187 nan 4.420 nan 0.000 0.222 664 P C 0.293 177.494 177.300 -0.166 0.000 1.153 664 P CA 0.256 63.116 63.100 -0.400 0.000 0.798 664 P CB -0.109 31.465 31.700 -0.211 0.000 0.796 665 A N 0.871 123.586 122.820 -0.175 0.000 2.586 665 A HA -0.065 4.255 4.320 -0.001 0.000 0.231 665 A C 0.619 178.172 177.584 -0.051 0.000 1.055 665 A CA -0.025 51.951 52.037 -0.101 0.000 0.756 665 A CB -0.418 18.507 19.000 -0.126 0.000 0.988 665 A HN 0.091 nan 8.150 nan 0.000 0.509 666 K N 0.832 121.233 120.400 0.002 0.000 2.524 666 K HA 0.012 4.332 4.320 -0.001 0.000 0.279 666 K C -0.730 175.904 176.600 0.056 0.000 0.993 666 K CA 0.256 56.587 56.287 0.073 0.000 1.030 666 K CB 0.041 32.595 32.500 0.091 0.000 0.891 666 K HN 0.485 nan 8.250 nan 0.000 0.488 667 F N 3.018 122.972 119.950 0.007 0.000 2.467 667 F HA 0.216 4.742 4.527 -0.001 0.000 0.362 667 F C 0.705 176.431 175.800 -0.123 0.000 1.090 667 F CA 0.604 58.549 58.000 -0.092 0.000 1.202 667 F CB 1.180 40.117 39.000 -0.104 0.000 1.113 667 F HN 0.667 nan 8.300 nan 0.000 0.541 668 A N 3.034 125.721 122.820 -0.221 0.000 2.474 668 A HA 0.156 4.475 4.320 -0.001 0.000 0.221 668 A C 0.512 177.982 177.584 -0.190 0.000 1.298 668 A CA 0.081 52.078 52.037 -0.067 0.000 1.008 668 A CB -0.074 18.914 19.000 -0.019 0.000 1.217 668 A HN 0.489 nan 8.150 nan 0.000 0.553 669 S N 0.723 116.183 115.700 -0.401 0.000 2.411 669 S HA 0.639 5.109 4.470 -0.001 0.000 0.304 669 S C -0.974 173.511 174.600 -0.191 0.000 1.098 669 S CA -0.250 57.822 58.200 -0.213 0.000 1.068 669 S CB -0.621 62.448 63.200 -0.219 0.000 1.032 669 S HN 0.201 nan 8.310 nan 0.000 0.511 670 F N 3.365 123.452 119.950 0.228 0.000 2.579 670 F HA 0.554 5.081 4.527 -0.001 0.000 0.324 670 F C 0.419 176.307 175.800 0.147 0.000 1.058 670 F CA -1.195 56.931 58.000 0.209 0.000 0.944 670 F CB 1.305 40.459 39.000 0.256 0.000 1.245 670 F HN 0.295 nan 8.300 nan 0.000 0.477 671 I N 1.789 122.565 120.570 0.343 0.000 2.416 671 I HA 0.117 4.287 4.170 -0.001 0.000 0.288 671 I C 0.289 176.528 176.117 0.203 0.000 1.051 671 I CA -0.391 61.035 61.300 0.209 0.000 1.375 671 I CB 0.923 39.012 38.000 0.148 0.000 1.407 671 I HN 0.593 nan 8.210 nan 0.000 0.516 672 T N 4.396 119.039 114.554 0.149 0.000 2.834 672 T HA 0.408 4.757 4.350 -0.001 0.000 0.298 672 T C -0.368 174.399 174.700 0.111 0.000 0.966 672 T CA -0.603 61.566 62.100 0.114 0.000 1.141 672 T CB 0.912 69.824 68.868 0.074 0.000 0.905 672 T HN 0.745 nan 8.240 nan 0.000 0.535 673 Q N 2.049 121.917 119.800 0.112 0.000 2.527 673 Q HA 0.540 4.879 4.340 -0.001 0.000 0.280 673 Q C -1.709 174.381 176.000 0.150 0.000 0.977 673 Q CA -1.346 54.532 55.803 0.124 0.000 0.837 673 Q CB 1.233 30.002 28.738 0.053 0.000 1.454 673 Q HN 0.868 nan 8.270 nan 0.000 0.387 674 Y N -1.018 119.262 120.300 -0.033 0.000 2.633 674 Y HA 0.890 5.440 4.550 -0.001 0.000 0.339 674 Y C -0.790 175.100 175.900 -0.017 0.000 1.045 674 Y CA -0.718 57.356 58.100 -0.042 0.000 1.098 674 Y CB 1.978 40.396 38.460 -0.071 0.000 1.296 674 Y HN 0.871 nan 8.280 nan 0.000 0.494 675 S N 0.341 116.022 115.700 -0.032 0.000 2.599 675 S HA 0.813 5.283 4.470 -0.001 0.000 0.294 675 S C -0.874 173.667 174.600 -0.098 0.000 1.094 675 S CA -0.450 57.693 58.200 -0.095 0.000 0.931 675 S CB 1.853 65.131 63.200 0.131 0.000 1.093 675 S HN 1.114 nan 8.310 nan 0.000 0.488 676 T N -0.316 113.995 114.554 -0.406 0.000 2.932 676 T HA 0.762 5.112 4.350 -0.001 0.000 0.318 676 T C -0.326 173.674 174.700 -1.168 0.000 1.265 676 T CA 0.237 61.831 62.100 -0.842 0.000 1.036 676 T CB 1.031 69.640 68.868 -0.433 0.000 1.209 676 T HN 1.688 nan 8.240 nan 0.000 0.484 677 G N 2.122 109.771 108.800 -1.919 0.000 2.489 677 G HA2 0.551 4.511 3.960 -0.001 0.000 0.305 677 G HA3 0.551 4.511 3.960 -0.001 0.000 0.305 677 G C -1.988 172.222 174.900 -1.149 0.000 1.311 677 G CA -0.667 43.729 45.100 -1.172 0.000 0.813 677 G HN 0.747 nan 8.290 nan 0.000 0.480 678 Q N -1.273 118.186 119.800 -0.568 0.000 2.215 678 Q HA 0.733 5.073 4.340 -0.001 0.000 0.256 678 Q C -0.588 175.219 176.000 -0.323 0.000 0.972 678 Q CA -0.707 54.812 55.803 -0.474 0.000 0.889 678 Q CB 2.398 30.732 28.738 -0.673 0.000 1.281 678 Q HN 0.787 nan 8.270 nan 0.000 0.456 679 V N 0.295 120.148 119.914 -0.102 0.000 2.709 679 V HA 0.798 4.917 4.120 -0.001 0.000 0.308 679 V C -1.413 174.589 176.094 -0.154 0.000 1.062 679 V CA -0.290 61.912 62.300 -0.163 0.000 0.901 679 V CB 2.266 34.098 31.823 0.015 0.000 1.003 679 V HN 0.696 nan 8.190 nan 0.000 0.425 680 S N 4.150 119.765 115.700 -0.142 0.000 2.526 680 S HA 0.878 5.348 4.470 -0.001 0.000 0.293 680 S C -1.413 173.054 174.600 -0.222 0.000 1.092 680 S CA -0.469 57.676 58.200 -0.092 0.000 0.980 680 S CB 1.708 64.971 63.200 0.105 0.000 1.048 680 S HN 0.852 nan 8.310 nan 0.000 0.483 681 V N 4.375 124.190 119.914 -0.166 0.000 2.524 681 V HA 0.476 4.596 4.120 -0.001 0.000 0.297 681 V C -0.496 175.548 176.094 -0.083 0.000 1.035 681 V CA -0.664 61.537 62.300 -0.165 0.000 0.867 681 V CB 1.590 33.210 31.823 -0.338 0.000 1.004 681 V HN 0.897 nan 8.190 nan 0.000 0.426 682 E N 5.347 125.499 120.200 -0.080 0.000 2.145 682 E HA 0.663 5.013 4.350 -0.001 0.000 0.270 682 E C -1.456 175.092 176.600 -0.087 0.000 0.906 682 E CA -0.508 55.848 56.400 -0.074 0.000 0.761 682 E CB 1.461 31.099 29.700 -0.104 0.000 1.116 682 E HN 0.659 nan 8.360 nan 0.000 0.408 683 I N 3.396 123.904 120.570 -0.104 0.000 2.509 683 I HA 0.284 4.453 4.170 -0.001 0.000 0.293 683 I C -0.236 175.672 176.117 -0.347 0.000 1.020 683 I CA -0.818 60.320 61.300 -0.270 0.000 1.088 683 I CB 2.080 39.808 38.000 -0.453 0.000 1.267 683 I HN 0.538 nan 8.210 nan 0.000 0.430 684 E N 5.392 125.338 120.200 -0.424 0.000 2.175 684 E HA 0.352 4.702 4.350 -0.001 0.000 0.278 684 E C -1.944 174.386 176.600 -0.449 0.000 0.969 684 E CA -0.616 55.609 56.400 -0.293 0.000 0.796 684 E CB 1.198 30.796 29.700 -0.169 0.000 1.104 684 E HN 0.392 nan 8.360 nan 0.000 0.395 685 W N 2.885 124.141 121.300 -0.073 0.000 2.587 685 W HA 0.305 4.965 4.660 -0.001 0.000 0.324 685 W C -0.091 176.466 176.519 0.063 0.000 1.040 685 W CA -0.756 56.593 57.345 0.006 0.000 1.222 685 W CB 1.205 30.726 29.460 0.101 0.000 1.381 685 W HN 0.462 nan 8.180 nan 0.000 0.483 686 E N 3.348 123.728 120.200 0.300 0.000 2.227 686 E HA 0.464 4.814 4.350 -0.001 0.000 0.282 686 E C -0.988 175.958 176.600 0.578 0.000 1.015 686 E CA -0.401 56.201 56.400 0.336 0.000 0.823 686 E CB 0.774 30.612 29.700 0.230 0.000 1.081 686 E HN 0.458 nan 8.360 nan 0.000 0.396 687 L N 3.676 125.177 121.223 0.463 0.000 2.325 687 L HA 0.361 4.701 4.340 -0.001 0.000 0.278 687 L C -0.063 176.918 176.870 0.185 0.000 1.023 687 L CA -0.741 54.345 54.840 0.410 0.000 0.811 687 L CB 1.673 43.907 42.059 0.292 0.000 1.249 687 L HN 0.548 nan 8.230 nan 0.000 0.431 688 Q N 3.220 122.995 119.800 -0.042 0.000 2.368 688 Q HA 0.226 4.566 4.340 -0.001 0.000 0.256 688 Q C -0.818 175.111 176.000 -0.117 0.000 0.980 688 Q CA -0.780 54.823 55.803 -0.333 0.000 0.887 688 Q CB 1.117 29.416 28.738 -0.731 0.000 1.221 688 Q HN 0.341 nan 8.270 nan 0.000 0.458 689 K N 2.328 122.635 120.400 -0.155 0.000 2.258 689 K HA 0.064 4.384 4.320 -0.001 0.000 0.264 689 K C -0.158 176.147 176.600 -0.492 0.000 1.007 689 K CA -0.086 56.071 56.287 -0.217 0.000 0.941 689 K CB 0.924 33.319 32.500 -0.176 0.000 0.966 689 K HN 0.674 nan 8.250 nan 0.000 0.480 690 E N 2.218 122.035 120.200 -0.638 0.000 2.316 690 E HA -0.032 4.317 4.350 -0.001 0.000 0.275 690 E C -0.879 175.119 176.600 -1.003 0.000 1.029 690 E CA -0.007 55.604 56.400 -1.314 0.000 0.871 690 E CB 0.448 29.574 29.700 -0.957 0.000 1.022 690 E HN 0.412 nan 8.360 nan 0.000 0.418 691 N N 2.982 120.981 118.700 -1.168 0.000 2.750 691 N HA 0.100 4.839 4.740 -0.001 0.000 0.253 691 N C -1.921 173.469 175.510 -0.199 0.000 1.408 691 N CA -0.281 52.483 53.050 -0.476 0.000 0.780 691 N CB 0.960 39.276 38.487 -0.285 0.000 1.191 691 N HN 0.203 nan 8.380 nan 0.000 0.511 692 S N 1.030 116.639 115.700 -0.153 0.000 2.503 692 S HA 0.462 4.932 4.470 -0.001 0.000 0.301 692 S C 0.174 174.802 174.600 0.048 0.000 1.087 692 S CA -0.590 57.658 58.200 0.081 0.000 1.042 692 S CB 0.701 64.027 63.200 0.210 0.000 1.043 692 S HN 0.302 nan 8.310 nan 0.000 0.489 693 K N 2.152 122.607 120.400 0.092 0.000 2.440 693 K HA 0.151 4.470 4.320 -0.001 0.000 0.206 693 K C 0.266 176.948 176.600 0.137 0.000 1.025 693 K CA -0.249 56.095 56.287 0.095 0.000 1.135 693 K CB -0.063 32.492 32.500 0.091 0.000 0.856 693 K HN 0.548 nan 8.250 nan 0.000 0.502 694 R N 0.987 121.568 120.500 0.135 0.000 2.502 694 R HA -0.109 4.230 4.340 -0.001 0.000 0.292 694 R C 1.070 177.471 176.300 0.168 0.000 0.998 694 R CA 0.246 56.438 56.100 0.154 0.000 1.056 694 R CB 0.038 30.421 30.300 0.138 0.000 0.939 694 R HN 0.287 nan 8.270 nan 0.000 0.411 695 W N 5.811 127.130 121.300 0.031 0.000 2.441 695 W HA -0.076 4.583 4.660 -0.001 0.000 0.302 695 W C -0.255 176.277 176.519 0.022 0.000 1.191 695 W CA 0.951 58.309 57.345 0.021 0.000 1.327 695 W CB -0.114 29.357 29.460 0.018 0.000 1.128 695 W HN 0.747 nan 8.180 nan 0.000 0.522 696 N N 1.946 120.760 118.700 0.189 0.000 2.503 696 N HA 0.146 4.886 4.740 -0.001 0.000 0.267 696 N C -2.738 172.778 175.510 0.011 0.000 1.214 696 N CA -1.298 51.802 53.050 0.083 0.000 0.959 696 N CB -0.393 38.190 38.487 0.159 0.000 1.142 696 N HN -0.133 nan 8.380 nan 0.000 0.455 697 P HA 0.059 nan 4.420 nan 0.000 0.267 697 P C -0.244 177.077 177.300 0.035 0.000 1.200 697 P CA 0.315 63.409 63.100 -0.010 0.000 0.772 697 P CB 0.549 32.241 31.700 -0.014 0.000 0.855 698 E N 1.214 121.444 120.200 0.050 0.000 2.254 698 E HA 0.381 4.731 4.350 -0.001 0.000 0.261 698 E C 0.235 176.892 176.600 0.094 0.000 1.051 698 E CA -1.055 55.395 56.400 0.084 0.000 0.902 698 E CB 0.921 30.692 29.700 0.117 0.000 1.168 698 E HN 0.441 nan 8.360 nan 0.000 0.423 699 I N -0.954 119.684 120.570 0.113 0.000 2.529 699 I HA 0.155 4.324 4.170 -0.001 0.000 0.284 699 I C -0.348 175.927 176.117 0.264 0.000 1.082 699 I CA -0.364 61.021 61.300 0.143 0.000 1.406 699 I CB 0.535 38.592 38.000 0.095 0.000 1.405 699 I HN 0.181 nan 8.210 nan 0.000 0.548 700 Q N 4.870 124.829 119.800 0.265 0.000 2.387 700 Q HA 0.307 4.646 4.340 -0.001 0.000 0.273 700 Q C -1.344 174.842 176.000 0.309 0.000 1.089 700 Q CA -0.807 55.158 55.803 0.270 0.000 0.824 700 Q CB 2.671 31.472 28.738 0.106 0.000 1.367 700 Q HN 0.796 nan 8.270 nan 0.000 0.443 701 Y N 0.830 121.083 120.300 -0.078 0.000 2.346 701 Y HA 0.302 4.851 4.550 -0.001 0.000 0.330 701 Y C -0.118 175.786 175.900 0.006 0.000 1.178 701 Y CA 0.846 58.904 58.100 -0.070 0.000 1.331 701 Y CB 0.972 39.170 38.460 -0.438 0.000 1.253 701 Y HN 0.620 nan 8.280 nan 0.000 0.529 702 T N 3.605 117.793 114.554 -0.610 0.000 2.840 702 T HA 0.444 4.793 4.350 -0.001 0.000 0.317 702 T C -1.224 173.236 174.700 -0.399 0.000 1.401 702 T CA -0.746 61.178 62.100 -0.294 0.000 1.028 702 T CB 0.843 69.658 68.868 -0.088 0.000 1.317 702 T HN 0.625 nan 8.240 nan 0.000 0.495 703 S N 1.860 117.507 115.700 -0.087 0.000 2.632 703 S HA 0.407 4.877 4.470 -0.001 0.000 0.271 703 S C 0.054 174.674 174.600 0.034 0.000 1.260 703 S CA -0.699 57.502 58.200 0.002 0.000 1.010 703 S CB 0.283 63.550 63.200 0.112 0.000 0.965 703 S HN 0.731 nan 8.310 nan 0.000 0.534 704 N N 1.717 120.433 118.700 0.027 0.000 2.416 704 N HA 0.072 4.812 4.740 -0.001 0.000 0.265 704 N C 0.609 176.130 175.510 0.018 0.000 1.195 704 N CA -0.155 52.902 53.050 0.011 0.000 0.943 704 N CB 0.183 38.636 38.487 -0.056 0.000 1.115 704 N HN 0.738 nan 8.380 nan 0.000 0.481 705 Y N 1.012 121.311 120.300 -0.000 0.000 2.574 705 Y HA 0.050 4.600 4.550 -0.001 0.000 0.294 705 Y C 0.063 175.967 175.900 0.007 0.000 1.142 705 Y CA -0.407 57.697 58.100 0.006 0.000 1.314 705 Y CB -0.236 38.226 38.460 0.003 0.000 0.991 705 Y HN 0.314 nan 8.280 nan 0.000 0.555 706 N N 2.824 121.155 118.700 -0.616 0.000 2.441 706 N HA -0.065 4.675 4.740 -0.001 0.000 0.251 706 N C -0.365 175.026 175.510 -0.200 0.000 1.242 706 N CA 0.001 52.748 53.050 -0.504 0.000 0.898 706 N CB 0.556 38.786 38.487 -0.428 0.000 1.100 706 N HN 0.367 nan 8.380 nan 0.000 0.443 707 K N 0.872 121.189 120.400 -0.138 0.000 2.437 707 K HA -0.035 4.284 4.320 -0.001 0.000 0.277 707 K C -0.223 176.336 176.600 -0.067 0.000 1.073 707 K CA 0.421 56.667 56.287 -0.069 0.000 1.105 707 K CB 0.170 32.641 32.500 -0.048 0.000 0.881 707 K HN 0.442 nan 8.250 nan 0.000 0.475 708 S N 2.746 118.418 115.700 -0.046 0.000 2.634 708 S HA 0.351 4.820 4.470 -0.001 0.000 0.296 708 S C 0.868 175.450 174.600 -0.030 0.000 1.104 708 S CA -1.043 57.132 58.200 -0.042 0.000 0.920 708 S CB 1.562 64.739 63.200 -0.039 0.000 1.111 708 S HN 0.359 nan 8.310 nan 0.000 0.493 709 V N 2.719 122.614 119.914 -0.033 0.000 2.238 709 V HA 0.015 4.135 4.120 -0.001 0.000 0.235 709 V C 0.725 176.804 176.094 -0.026 0.000 1.037 709 V CA 1.399 63.681 62.300 -0.030 0.000 0.991 709 V CB -0.840 30.961 31.823 -0.036 0.000 0.638 709 V HN 0.825 nan 8.190 nan 0.000 0.457 710 N N -0.748 117.932 118.700 -0.034 0.000 2.466 710 N HA 0.479 5.219 4.740 -0.001 0.000 0.294 710 N C -1.031 174.466 175.510 -0.023 0.000 1.129 710 N CA -0.615 52.415 53.050 -0.033 0.000 0.931 710 N CB 2.056 40.510 38.487 -0.056 0.000 1.193 710 N HN 0.082 nan 8.380 nan 0.000 0.500 711 V N 1.396 121.308 119.914 -0.003 0.000 2.583 711 V HA 0.041 4.161 4.120 -0.001 0.000 0.287 711 V C -0.068 176.043 176.094 0.028 0.000 1.051 711 V CA -0.397 61.921 62.300 0.030 0.000 1.010 711 V CB 0.825 32.685 31.823 0.062 0.000 0.988 711 V HN 0.610 nan 8.190 nan 0.000 0.478 712 D N 4.249 124.690 120.400 0.068 0.000 2.493 712 D HA 0.183 4.823 4.640 -0.001 0.000 0.240 712 D C 0.110 176.543 176.300 0.223 0.000 1.142 712 D CA 0.595 54.636 54.000 0.069 0.000 0.872 712 D CB -0.050 40.876 40.800 0.211 0.000 1.173 712 D HN 0.476 nan 8.370 nan 0.000 0.467 713 F N -0.149 119.763 119.950 -0.064 0.000 2.781 713 F HA -0.263 4.264 4.527 -0.001 0.000 0.350 713 F C 0.322 176.149 175.800 0.046 0.000 1.048 713 F CA 0.344 58.289 58.000 -0.092 0.000 1.134 713 F CB -1.763 37.299 39.000 0.103 0.000 1.440 713 F HN 0.162 nan 8.300 nan 0.000 0.799 714 T N -0.836 113.682 114.554 -0.060 0.000 2.792 714 T HA 0.686 5.036 4.350 -0.001 0.000 0.303 714 T C -0.181 174.471 174.700 -0.080 0.000 1.310 714 T CA -0.427 61.714 62.100 0.070 0.000 1.007 714 T CB 2.146 71.049 68.868 0.060 0.000 1.335 714 T HN 0.363 nan 8.240 nan 0.000 0.504 715 V N 0.384 120.255 119.914 -0.071 0.000 2.953 715 V HA 0.705 4.825 4.120 -0.001 0.000 0.304 715 V C 0.038 176.084 176.094 -0.080 0.000 1.073 715 V CA -0.631 61.592 62.300 -0.127 0.000 1.064 715 V CB 0.647 32.369 31.823 -0.168 0.000 1.047 715 V HN 0.989 nan 8.190 nan 0.000 0.478 716 D N 0.996 121.350 120.400 -0.077 0.000 2.589 716 D HA 0.293 4.933 4.640 -0.001 0.000 0.268 716 D C 1.420 177.699 176.300 -0.036 0.000 1.182 716 D CA 0.255 54.221 54.000 -0.057 0.000 1.087 716 D CB -0.005 40.755 40.800 -0.067 0.000 1.186 716 D HN 0.671 nan 8.370 nan 0.000 0.620 717 T N -2.143 112.393 114.554 -0.030 0.000 2.737 717 T HA -0.243 4.106 4.350 -0.001 0.000 0.269 717 T C 0.828 175.519 174.700 -0.015 0.000 1.040 717 T CA 1.669 63.758 62.100 -0.019 0.000 1.142 717 T CB -0.978 67.879 68.868 -0.019 0.000 0.861 717 T HN 0.605 nan 8.240 nan 0.000 0.456 718 N N 0.863 119.552 118.700 -0.019 0.000 2.380 718 N HA 0.440 5.180 4.740 -0.001 0.000 0.255 718 N C 0.688 176.191 175.510 -0.013 0.000 1.158 718 N CA -0.084 52.958 53.050 -0.013 0.000 0.878 718 N CB 0.082 38.561 38.487 -0.013 0.000 1.138 718 N HN 0.577 nan 8.380 nan 0.000 0.509 719 G N 0.018 108.807 108.800 -0.019 0.000 2.381 719 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.281 719 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.281 719 G C -0.761 174.122 174.900 -0.028 0.000 0.984 719 G CA 0.132 45.219 45.100 -0.021 0.000 1.339 719 G HN 0.355 nan 8.290 nan 0.000 0.485 720 V N 2.852 122.734 119.914 -0.054 0.000 2.532 720 V HA 0.366 4.486 4.120 -0.001 0.000 0.294 720 V C -0.041 176.003 176.094 -0.084 0.000 1.036 720 V CA -1.329 60.943 62.300 -0.047 0.000 0.876 720 V CB 1.520 33.319 31.823 -0.040 0.000 1.012 720 V HN 0.609 nan 8.190 nan 0.000 0.432 721 Y N 4.510 124.667 120.300 -0.238 0.000 2.511 721 Y HA 0.493 5.042 4.550 -0.001 0.000 0.332 721 Y C 0.685 176.486 175.900 -0.165 0.000 1.177 721 Y CA 0.307 58.231 58.100 -0.294 0.000 1.422 721 Y CB 1.061 39.280 38.460 -0.401 0.000 1.271 721 Y HN 0.734 nan 8.280 nan 0.000 0.550 722 S N 4.397 119.587 115.700 -0.850 0.000 2.572 722 S HA 0.441 4.911 4.470 -0.001 0.000 0.274 722 S C -1.600 172.499 174.600 -0.834 0.000 1.150 722 S CA -1.189 56.627 58.200 -0.640 0.000 0.944 722 S CB 1.370 64.344 63.200 -0.376 0.000 1.071 722 S HN 0.683 nan 8.310 nan 0.000 0.479 723 E N 3.000 122.814 120.200 -0.643 0.000 2.130 723 E HA 0.254 4.604 4.350 -0.001 0.000 0.284 723 E C -1.906 174.289 176.600 -0.675 0.000 1.018 723 E CA -2.086 53.872 56.400 -0.737 0.000 0.817 723 E CB 0.733 30.280 29.700 -0.255 0.000 1.078 723 E HN 0.369 nan 8.360 nan 0.000 0.396 724 P HA -0.168 nan 4.420 nan 0.000 0.214 724 P C -0.010 177.125 177.300 -0.275 0.000 1.162 724 P CA 1.321 64.120 63.100 -0.501 0.000 0.879 724 P CB 0.227 31.633 31.700 -0.490 0.000 0.786 725 R N -2.017 118.364 120.500 -0.198 0.000 2.808 725 R HA 0.589 4.928 4.340 -0.001 0.000 0.272 725 R C -3.217 173.133 176.300 0.083 0.000 0.995 725 R CA -2.368 53.735 56.100 0.005 0.000 0.917 725 R CB 0.433 30.802 30.300 0.114 0.000 1.217 725 R HN -0.230 nan 8.270 nan 0.000 0.471 726 P HA 0.170 nan 4.420 nan 0.000 0.271 726 P C -0.595 176.833 177.300 0.214 0.000 1.216 726 P CA -0.259 62.867 63.100 0.044 0.000 0.771 726 P CB 0.482 32.177 31.700 -0.008 0.000 0.864 727 I N 2.687 123.405 120.570 0.247 0.000 2.339 727 I HA 0.310 4.479 4.170 -0.001 0.000 0.290 727 I C 1.272 177.746 176.117 0.596 0.000 0.994 727 I CA -0.264 61.243 61.300 0.345 0.000 1.191 727 I CB 0.854 38.909 38.000 0.091 0.000 1.343 727 I HN 0.415 nan 8.210 nan 0.000 0.458 728 G N 3.628 112.813 108.800 0.641 0.000 2.468 728 G HA2 0.244 4.204 3.960 -0.001 0.000 0.264 728 G HA3 0.244 4.204 3.960 -0.001 0.000 0.264 728 G C 0.510 175.637 174.900 0.378 0.000 1.460 728 G CA 0.301 45.682 45.100 0.468 0.000 1.060 728 G HN 0.572 nan 8.290 nan 0.000 0.543 729 T N -1.615 113.092 114.554 0.255 0.000 3.073 729 T HA 0.170 4.520 4.350 -0.001 0.000 0.264 729 T C 0.796 175.635 174.700 0.232 0.000 0.893 729 T CA -0.283 61.915 62.100 0.162 0.000 0.863 729 T CB 0.108 69.038 68.868 0.104 0.000 1.247 729 T HN 0.320 nan 8.240 nan 0.000 0.546 730 R N 1.289 121.914 120.500 0.209 0.000 2.825 730 R HA 0.341 4.681 4.340 -0.001 0.000 0.261 730 R C -0.347 176.005 176.300 0.087 0.000 1.341 730 R CA -0.169 55.978 56.100 0.077 0.000 1.353 730 R CB 0.200 30.443 30.300 -0.094 0.000 1.191 730 R HN 0.337 nan 8.270 nan 0.000 0.590 731 Y N 0.217 120.544 120.300 0.044 0.000 2.559 731 Y HA 0.181 4.731 4.550 -0.001 0.000 0.279 731 Y C 0.952 176.903 175.900 0.084 0.000 1.117 731 Y CA 0.019 58.163 58.100 0.073 0.000 1.263 731 Y CB 0.583 39.098 38.460 0.092 0.000 1.230 731 Y HN 0.210 nan 8.280 nan 0.000 0.528 732 L N 0.841 122.229 121.223 0.274 0.000 2.439 732 L HA 0.320 4.660 4.340 -0.001 0.000 0.261 732 L C 0.443 177.388 176.870 0.125 0.000 1.153 732 L CA -0.400 54.612 54.840 0.286 0.000 0.808 732 L CB 0.919 43.301 42.059 0.538 0.000 1.126 732 L HN 0.081 nan 8.230 nan 0.000 0.460 733 T N -0.028 114.593 114.554 0.112 0.000 2.829 733 T HA 0.553 4.902 4.350 -0.001 0.000 0.280 733 T C -0.513 174.069 174.700 -0.195 0.000 0.999 733 T CA -0.898 61.183 62.100 -0.032 0.000 0.983 733 T CB 2.208 71.104 68.868 0.048 0.000 0.968 733 T HN 0.643 nan 8.240 nan 0.000 0.446 734 R N 2.080 122.382 120.500 -0.330 0.000 2.854 734 R HA 0.511 4.850 4.340 -0.001 0.000 0.271 734 R C -0.885 175.369 176.300 -0.077 0.000 0.994 734 R CA -0.699 55.160 56.100 -0.402 0.000 0.945 734 R CB 1.398 31.073 30.300 -1.041 0.000 1.194 734 R HN 0.761 nan 8.270 nan 0.000 0.476 735 N N 1.039 119.731 118.700 -0.013 0.000 2.463 735 N HA 0.284 5.024 4.740 -0.001 0.000 0.270 735 N C -0.136 175.438 175.510 0.107 0.000 1.205 735 N CA -0.392 52.697 53.050 0.066 0.000 0.974 735 N CB 0.576 39.091 38.487 0.047 0.000 1.197 735 N HN 0.364 nan 8.380 nan 0.000 0.504 736 L N 0.000 121.254 121.223 0.052 0.000 2.949 736 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 736 L CA 0.000 54.793 54.840 -0.078 0.000 0.813 736 L CB 0.000 41.947 42.059 -0.186 0.000 0.961 736 L HN 0.000 nan 8.230 nan 0.000 0.502