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_N DATA FIRST_RESID 217 DATA SEQUENCE GADGVGNSSG NWHCDSQWLG DRVITTSTRT WALPTYNNHL YKQISSQSGA DATA SEQUENCE SNDNHYFGYS TPWGYFDFNR FHCHFSPRDW QRLINNNWGF RPKKLSFKLF DATA SEQUENCE NIQVKEVTQN DGTTTIANNL TSTVQVFTDS EYQLPYVLGS AHQGCLPPFP DATA SEQUENCE ADVFMVPQYG YLTLNNGSQA VGRSSFYCLE YFPSQMLRTG NNFQFSYTFE DATA SEQUENCE DVPFHSSYAH SQSLDRLMNP LIDQYLYYLN RTQGTTSGTT NQSRLLFSQA DATA SEQUENCE GPQSMSLQAR NWLPGPCYRQ QRLSKTANDN NNSNFPWTAA SKYHLNGRDS DATA SEQUENCE LVNPGPAMAS HKDDEEKFFP MHGNLIFGKE GTTASNAELD NVMITDEEEI DATA SEQUENCE RTTNPVATEQ YGTVANNLQS SNTAPTTRTV NDQGALPGMV WQDRDVYLQG DATA SEQUENCE PIWAKIPHTD GHFHPSPLMG GFGLKHPPPQ IMIKNTPVPA NPPTTFSPAK DATA SEQUENCE FASFITQYST GQVSVEIEWE LQKENSKRWN PEIQYTSNYN KSVNVDFTVD DATA SEQUENCE TNGVYSEPRP IGTRYLTRNL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 217 G HA2 0.000 nan 3.960 nan 0.000 0.244 217 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 217 G C 0.000 174.926 174.900 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 -0.996 176.608 177.584 0.032 0.000 1.102 218 A CA -0.575 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 0.700 177.019 176.300 0.031 0.000 1.151 219 D CA 0.220 54.238 54.000 0.031 0.000 1.089 219 D CB 1.416 42.235 40.800 0.032 0.000 1.295 219 D HN 0.670 nan 8.370 nan 0.000 0.631 220 G N -0.748 108.069 108.800 0.027 0.000 2.642 220 G HA2 0.433 4.392 3.960 -0.001 0.000 0.291 220 G HA3 0.433 4.392 3.960 -0.001 0.000 0.291 220 G C 0.882 175.797 174.900 0.024 0.000 1.345 220 G CA -0.298 44.815 45.100 0.023 0.000 1.043 220 G HN 0.205 nan 8.290 nan 0.000 0.528 221 V N 0.550 120.475 119.914 0.018 0.000 2.255 221 V HA 0.033 4.153 4.120 -0.001 0.000 0.243 221 V C 2.528 178.630 176.094 0.014 0.000 1.038 221 V CA 2.119 64.428 62.300 0.015 0.000 1.008 221 V CB -0.651 31.178 31.823 0.009 0.000 0.645 221 V HN 0.760 nan 8.190 nan 0.000 0.449 222 G N 0.749 109.556 108.800 0.011 0.000 3.474 222 G HA2 0.147 4.107 3.960 -0.001 0.000 0.269 222 G HA3 0.147 4.107 3.960 -0.001 0.000 0.269 222 G C -0.028 174.880 174.900 0.014 0.000 1.339 222 G CA 0.022 45.128 45.100 0.010 0.000 1.258 222 G HN 0.472 nan 8.290 nan 0.000 0.560 223 N N -0.017 118.695 118.700 0.020 0.000 2.519 223 N HA 0.266 5.006 4.740 -0.001 0.000 0.291 223 N C -0.058 175.475 175.510 0.038 0.000 1.107 223 N CA -0.524 52.541 53.050 0.025 0.000 0.904 223 N CB 1.405 39.905 38.487 0.022 0.000 1.500 223 N HN 0.035 nan 8.380 nan 0.000 0.510 224 S N 1.543 117.268 115.700 0.043 0.000 2.549 224 S HA 0.085 4.555 4.470 -0.001 0.000 0.286 224 S C 0.835 175.480 174.600 0.075 0.000 1.314 224 S CA -0.224 58.018 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 0.612 nan 8.310 nan 0.000 0.498 225 S N 1.110 116.882 115.700 0.121 0.000 2.618 225 S HA 0.581 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 -0.697 62.596 63.200 0.155 0.000 0.778 225 S HN 1.544 nan 8.310 nan 0.000 0.459 226 G N 0.361 109.169 108.800 0.014 0.000 2.328 226 G HA2 0.324 4.283 3.960 -0.001 0.000 0.299 226 G HA3 0.324 4.283 3.960 -0.001 0.000 0.299 226 G C -1.900 172.901 174.900 -0.166 0.000 1.435 226 G CA -1.073 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 -1.027 117.486 118.700 -0.311 0.000 2.531 227 N HA 0.466 5.205 4.740 -0.001 0.000 0.290 227 N C -1.008 174.408 175.510 -0.157 0.000 1.257 227 N CA -0.849 52.094 53.050 -0.179 0.000 0.863 227 N CB 2.205 40.515 38.487 -0.295 0.000 1.320 227 N HN 0.532 nan 8.380 nan 0.000 0.538 228 W N 2.576 123.724 121.300 -0.253 0.000 2.367 228 W HA 0.189 4.849 4.660 -0.001 0.000 0.329 228 W C -1.055 175.294 176.519 -0.284 0.000 1.066 228 W CA 0.026 57.295 57.345 -0.126 0.000 1.435 228 W CB -0.088 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 5.319 124.294 119.070 -0.158 0.000 2.700 229 H HA 0.180 4.736 4.556 -0.001 0.000 0.269 229 H C -0.205 174.996 175.328 -0.211 0.000 1.222 229 H CA -0.215 55.763 56.048 -0.117 0.000 1.254 229 H CB 0.970 30.656 29.762 -0.126 0.000 1.413 229 H HN 0.166 nan 8.280 nan 0.000 0.507 230 C N 4.108 123.409 119.300 0.002 0.000 2.437 230 C HA 0.387 4.846 4.460 -0.001 0.000 0.307 230 C C -0.543 174.500 174.990 0.090 0.000 1.093 230 C CA -0.278 58.746 59.018 0.009 0.000 1.463 230 C CB -0.710 27.091 27.740 0.102 0.000 1.926 230 C HN 0.873 nan 8.230 nan 0.000 0.420 231 D N 1.921 122.349 120.400 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 2.296 43.135 40.800 0.066 0.000 1.356 231 D HN 0.595 nan 8.370 nan 0.000 0.437 232 S N 0.507 116.210 115.700 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 -0.025 0.000 1.160 232 S CA -0.811 57.348 58.200 -0.069 0.000 0.933 232 S CB 1.561 64.693 63.200 -0.115 0.000 1.100 232 S HN 0.423 nan 8.310 nan 0.000 0.468 233 Q N 1.421 121.161 119.800 -0.100 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 0.484 29.266 28.738 0.073 0.000 1.418 233 Q HN 0.743 nan 8.270 nan 0.000 0.411 234 W N 1.420 122.739 121.300 0.031 0.000 2.512 234 W HA 0.578 5.237 4.660 -0.001 0.000 0.335 234 W C -0.060 176.476 176.519 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 3.298 124.662 121.223 0.235 0.000 3.122 235 L HA 0.244 4.584 4.340 -0.001 0.000 0.274 235 L C 1.624 178.577 176.870 0.139 0.000 1.222 235 L CA 0.719 55.645 54.840 0.145 0.000 1.028 235 L CB -0.672 41.438 42.059 0.086 0.000 1.386 235 L HN 0.999 nan 8.230 nan 0.000 0.578 236 G N 1.048 109.963 108.800 0.191 0.000 2.412 236 G HA2 -0.434 3.526 3.960 -0.001 0.000 0.252 236 G HA3 -0.434 3.526 3.960 -0.001 0.000 0.252 236 G C 0.940 175.909 174.900 0.116 0.000 1.038 236 G CA 1.107 46.285 45.100 0.129 0.000 0.628 236 G HN 0.396 nan 8.290 nan 0.000 0.531 237 D N 0.026 120.497 120.400 0.118 0.000 2.449 237 D HA 0.225 4.865 4.640 -0.001 0.000 0.210 237 D C 1.100 177.490 176.300 0.150 0.000 1.094 237 D CA 0.939 55.005 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 -1.607 118.989 120.500 0.159 0.000 2.741 238 R HA 0.574 4.913 4.340 -0.001 0.000 0.276 238 R C -2.040 174.321 176.300 0.101 0.000 1.028 238 R CA -0.993 55.200 56.100 0.156 0.000 0.865 238 R CB 1.045 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 1.662 121.598 119.914 0.037 0.000 2.760 239 V HA 0.594 4.713 4.120 -0.001 0.000 0.309 239 V C -1.603 174.440 176.094 -0.084 0.000 1.077 239 V CA -0.867 61.301 62.300 -0.220 0.000 0.910 239 V CB 1.940 33.319 31.823 -0.739 0.000 1.008 239 V HN 0.678 nan 8.190 nan 0.000 0.424 240 I N 5.718 126.190 120.570 -0.163 0.000 2.362 240 I HA 0.539 4.709 4.170 -0.001 0.000 0.289 240 I C 0.406 176.441 176.117 -0.137 0.000 0.994 240 I CA 0.017 61.266 61.300 -0.085 0.000 1.158 240 I CB 2.056 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 1.447 115.958 114.554 -0.071 0.000 2.771 241 T HA 0.724 5.074 4.350 -0.001 0.000 0.281 241 T C -0.125 174.552 174.700 -0.037 0.000 0.982 241 T CA -0.633 61.397 62.100 -0.115 0.000 0.978 241 T CB 1.023 69.761 68.868 -0.216 0.000 0.930 241 T HN 0.474 nan 8.240 nan 0.000 0.447 242 T N 2.440 116.967 114.554 -0.045 0.000 2.829 242 T HA 0.676 5.025 4.350 -0.001 0.000 0.280 242 T C -0.536 174.138 174.700 -0.045 0.000 0.999 242 T CA -0.807 61.269 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 1.607 117.264 115.700 -0.071 0.000 2.619 243 S HA 0.661 5.130 4.470 -0.001 0.000 0.280 243 S C -0.903 173.564 174.600 -0.221 0.000 1.150 243 S CA -0.555 57.573 58.200 -0.119 0.000 0.978 243 S CB 0.971 64.120 63.200 -0.085 0.000 1.041 243 S HN 0.712 nan 8.310 nan 0.000 0.485 244 T N 5.432 119.738 114.554 -0.414 0.000 2.863 244 T HA 0.708 5.058 4.350 -0.001 0.000 0.285 244 T C -0.804 173.535 174.700 -0.603 0.000 1.009 244 T CA -0.946 60.745 62.100 -0.681 0.000 0.989 244 T CB 1.139 69.184 68.868 -1.372 0.000 1.004 244 T HN 0.486 nan 8.240 nan 0.000 0.455 245 R N 1.014 121.372 120.500 -0.237 0.000 2.774 245 R HA 0.603 4.943 4.340 -0.001 0.000 0.272 245 R C -0.921 175.566 176.300 0.311 0.000 1.000 245 R CA -0.811 55.398 56.100 0.182 0.000 0.906 245 R CB 1.651 32.146 30.300 0.326 0.000 1.227 245 R HN 0.574 nan 8.270 nan 0.000 0.468 246 T N 2.711 117.494 114.554 0.382 0.000 2.837 246 T HA 0.544 4.893 4.350 -0.001 0.000 0.285 246 T C -0.296 174.473 174.700 0.114 0.000 0.984 246 T CA -0.560 61.635 62.100 0.159 0.000 1.049 246 T CB 0.639 69.564 68.868 0.094 0.000 0.947 246 T HN 0.462 nan 8.240 nan 0.000 0.472 247 W N 0.573 121.802 121.300 -0.119 0.000 2.864 247 W HA 0.820 5.480 4.660 -0.001 0.000 0.343 247 W C -1.440 174.903 176.519 -0.293 0.000 1.109 247 W CA -1.689 55.352 57.345 -0.506 0.000 1.192 247 W CB 1.350 30.499 29.460 -0.518 0.000 1.426 247 W HN 0.736 nan 8.180 nan 0.000 0.529 248 A N 2.948 125.766 122.820 -0.002 0.000 2.386 248 A HA 0.790 5.109 4.320 -0.001 0.000 0.311 248 A C -2.155 175.549 177.584 0.200 0.000 1.068 248 A CA -0.790 51.303 52.037 0.094 0.000 0.743 248 A CB 2.005 21.011 19.000 0.011 0.000 1.258 248 A HN 0.693 nan 8.150 nan 0.000 0.429 249 L N 3.668 125.060 121.223 0.282 0.000 2.404 249 L HA 0.672 5.011 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 53.387 54.840 0.169 0.000 0.836 249 L CB 2.129 44.314 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 0.576 31.971 31.700 -0.508 0.000 1.364 251 T N 0.130 114.493 114.554 -0.318 0.000 2.929 251 T HA 0.356 4.705 4.350 -0.001 0.000 0.331 251 T C -0.493 173.989 174.700 -0.363 0.000 1.120 251 T CA -0.041 61.863 62.100 -0.326 0.000 0.973 251 T CB -0.989 67.644 68.868 -0.391 0.000 1.036 251 T HN 0.108 nan 8.240 nan 0.000 0.502 252 Y N 2.144 122.344 120.300 -0.167 0.000 2.397 252 Y HA 0.125 4.675 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 0.037 58.065 58.100 -0.120 0.000 1.391 252 Y CB 0.306 38.726 38.460 -0.068 0.000 1.293 252 Y HN 0.693 nan 8.280 nan 0.000 0.557 253 N N 1.732 120.489 118.700 0.096 0.000 2.690 253 N HA -0.411 4.328 4.740 -0.001 0.000 0.249 253 N C -0.194 175.307 175.510 -0.014 0.000 1.125 253 N CA 0.807 53.880 53.050 0.040 0.000 0.794 253 N CB -0.574 37.938 38.487 0.043 0.000 1.152 253 N HN 0.784 nan 8.380 nan 0.000 0.571 254 N N -0.062 118.568 118.700 -0.117 0.000 2.735 254 N HA -0.203 4.537 4.740 -0.001 0.000 0.248 254 N C -0.576 174.847 175.510 -0.146 0.000 1.083 254 N CA 2.028 54.975 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 -2.871 116.152 119.070 -0.078 0.000 2.899 255 H HA -0.189 4.367 4.556 -0.001 0.000 0.282 255 H C -0.180 175.148 175.328 0.000 0.000 1.198 255 H CA 1.126 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 0.401 121.694 121.223 0.117 0.000 2.362 256 L HA 0.445 4.784 4.340 -0.001 0.000 0.271 256 L C -0.155 176.809 176.870 0.156 0.000 1.002 256 L CA -1.010 53.946 54.840 0.194 0.000 0.818 256 L CB 1.217 43.384 42.059 0.181 0.000 1.298 256 L HN 0.029 nan 8.230 nan 0.000 0.420 257 Y N 2.244 122.687 120.300 0.239 0.000 2.404 257 Y HA 0.291 4.840 4.550 -0.001 0.000 0.344 257 Y C -0.003 176.038 175.900 0.235 0.000 0.995 257 Y CA -0.212 58.061 58.100 0.289 0.000 1.201 257 Y CB 0.838 39.535 38.460 0.395 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 34.427 32.500 0.089 0.000 1.120 258 K HN 0.591 nan 8.250 nan 0.000 0.428 259 Q N 4.763 124.587 119.800 0.041 0.000 2.296 259 Q HA 0.247 4.586 4.340 -0.001 0.000 0.262 259 Q C -0.646 175.118 176.000 -0.395 0.000 0.981 259 Q CA -0.306 55.292 55.803 -0.341 0.000 0.905 259 Q CB 0.419 28.980 28.738 -0.294 0.000 1.186 259 Q HN 0.631 nan 8.270 nan 0.000 0.399 260 I N 0.728 120.928 120.570 -0.615 0.000 2.740 260 I HA 0.821 4.991 4.170 -0.001 0.000 0.303 260 I C -0.654 175.062 176.117 -0.670 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 2.165 117.537 115.700 -0.545 0.000 2.724 261 S HA 0.529 4.999 4.470 -0.001 0.000 0.278 261 S C -0.567 173.640 174.600 -0.655 0.000 1.190 261 S CA -0.333 57.439 58.200 -0.714 0.000 0.860 261 S CB 0.804 63.890 63.200 -0.189 0.000 1.206 261 S HN 1.051 nan 8.310 nan 0.000 0.507 262 S N 0.961 116.406 115.700 -0.424 0.000 2.601 262 S HA 0.473 4.943 4.470 -0.001 0.000 0.271 262 S C -0.084 174.551 174.600 0.058 0.000 1.305 262 S CA -0.580 57.623 58.200 0.004 0.000 1.022 262 S CB 0.554 63.903 63.200 0.249 0.000 0.940 262 S HN 0.752 nan 8.310 nan 0.000 0.525 263 Q N 1.583 121.430 119.800 0.078 0.000 2.286 263 Q HA 0.069 4.409 4.340 -0.001 0.000 0.290 263 Q C -0.315 175.723 176.000 0.063 0.000 1.049 263 Q CA 0.421 56.252 55.803 0.047 0.000 0.923 263 Q CB 0.453 29.207 28.738 0.028 0.000 1.183 263 Q HN 0.817 nan 8.270 nan 0.000 0.383 264 S N 3.093 118.823 115.700 0.049 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 0.665 58.899 58.200 0.056 0.000 1.721 264 S CB -0.929 62.288 63.200 0.029 0.000 1.330 264 S HN 0.820 nan 8.310 nan 0.000 0.623 265 G N 1.862 110.725 108.800 0.105 0.000 2.248 265 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.263 265 G HA3 -0.169 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 -1.206 121.602 122.820 -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 53.882 52.037 -0.055 0.000 0.657 266 A CB 0.492 19.467 19.000 -0.043 0.000 0.852 266 A HN 1.503 nan 8.150 nan 0.000 0.454 267 S N -2.508 113.063 115.700 -0.215 0.000 2.547 267 S HA 0.346 4.815 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 1.304 64.366 63.200 -0.229 0.000 1.118 267 S HN 0.464 nan 8.310 nan 0.000 0.461 268 N N 0.817 119.371 118.700 -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 0.040 0.000 1.034 268 N CA 0.297 53.316 53.050 -0.052 0.000 0.885 268 N CB 0.063 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 0.007 176.309 176.300 0.003 0.000 1.020 269 D CA 0.620 54.646 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 0.462 nan 8.370 nan 0.000 0.531 270 N N -0.587 118.074 118.700 -0.066 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 0.710 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 1.310 120.465 119.070 0.142 0.000 2.928 271 H HA 0.027 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 0.651 56.819 56.048 0.201 0.000 1.435 271 H CB 0.176 30.003 29.762 0.108 0.000 1.428 271 H HN 0.290 nan 8.280 nan 0.000 0.590 272 Y N 1.385 121.809 120.300 0.206 0.000 2.656 272 Y HA 0.512 5.062 4.550 -0.001 0.000 0.334 272 Y C -2.160 173.859 175.900 0.198 0.000 1.179 272 Y CA -1.377 56.816 58.100 0.156 0.000 1.050 272 Y CB 1.514 40.022 38.460 0.080 0.000 1.308 272 Y HN 0.383 nan 8.280 nan 0.000 0.456 273 F N 1.149 121.030 119.950 -0.115 0.000 2.596 273 F HA 0.842 5.369 4.527 -0.001 0.000 0.311 273 F C -0.352 175.358 175.800 -0.150 0.000 1.116 273 F CA 0.002 57.846 58.000 -0.260 0.000 0.957 273 F CB 2.086 40.983 39.000 -0.172 0.000 1.250 273 F HN 1.076 nan 8.300 nan 0.000 0.444 274 G N 2.811 111.044 108.800 -0.945 0.000 2.500 274 G HA2 0.451 4.411 3.960 -0.001 0.000 0.299 274 G HA3 0.451 4.411 3.960 -0.001 0.000 0.299 274 G C -2.439 171.802 174.900 -1.099 0.000 1.242 274 G CA -0.599 44.083 45.100 -0.698 0.000 0.859 274 G HN 0.552 nan 8.290 nan 0.000 0.481 275 Y N -0.892 119.020 120.300 -0.647 0.000 2.581 275 Y HA 0.755 5.305 4.550 -0.001 0.000 0.345 275 Y C 0.143 175.831 175.900 -0.353 0.000 1.036 275 Y CA -0.768 57.073 58.100 -0.431 0.000 1.042 275 Y CB 2.656 41.008 38.460 -0.180 0.000 1.289 275 Y HN 0.557 nan 8.280 nan 0.000 0.471 276 S N 1.095 116.826 115.700 0.053 0.000 2.552 276 S HA 0.596 5.066 4.470 -0.001 0.000 0.314 276 S C -0.713 173.933 174.600 0.078 0.000 1.099 276 S CA -0.571 57.638 58.200 0.016 0.000 1.070 276 S CB 0.325 63.519 63.200 -0.009 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 4.950 4.350 -0.001 0.000 0.286 277 T C -2.535 172.143 174.700 -0.037 0.000 1.025 277 T CA -2.097 59.954 62.100 -0.081 0.000 1.039 277 T CB 1.401 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 0.194 nan 4.420 nan 0.000 0.249 278 P C -0.862 176.430 177.300 -0.013 0.000 1.241 278 P CA -0.118 62.952 63.100 -0.049 0.000 0.781 278 P CB -0.177 31.447 31.700 -0.126 0.000 1.088 279 W N 0.421 121.729 121.300 0.014 0.000 2.438 279 W HA 0.570 5.229 4.660 -0.001 0.000 0.324 279 W C 1.041 177.579 176.519 0.032 0.000 1.119 279 W CA -0.081 57.291 57.345 0.046 0.000 1.221 279 W CB 0.986 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 1.125 110.054 108.800 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 -1.866 173.081 174.900 0.080 0.000 1.311 280 G CA -0.621 44.508 45.100 0.049 0.000 1.030 280 G HN 0.601 nan 8.290 nan 0.000 0.509 281 Y N -3.096 117.070 120.300 -0.224 0.000 2.641 281 Y HA 0.683 5.232 4.550 -0.001 0.000 0.333 281 Y C -1.831 173.890 175.900 -0.298 0.000 1.174 281 Y CA -2.086 55.865 58.100 -0.247 0.000 1.057 281 Y CB 0.947 39.278 38.460 -0.215 0.000 1.322 281 Y HN 0.389 nan 8.280 nan 0.000 0.457 282 F N 1.954 121.895 119.950 -0.014 0.000 2.404 282 F HA 0.502 5.029 4.527 -0.001 0.000 0.339 282 F C -0.167 175.673 175.800 0.068 0.000 1.105 282 F CA 0.002 58.030 58.000 0.047 0.000 1.087 282 F CB 1.439 40.538 39.000 0.165 0.000 1.143 282 F HN 0.586 nan 8.300 nan 0.000 0.491 283 D N 2.685 123.215 120.400 0.216 0.000 2.780 283 D HA 0.429 5.069 4.640 -0.001 0.000 0.242 283 D C -0.873 175.494 176.300 0.112 0.000 1.135 283 D CA -0.500 53.517 54.000 0.030 0.000 0.859 283 D CB 1.154 41.977 40.800 0.039 0.000 1.530 283 D HN 0.293 nan 8.370 nan 0.000 0.493 284 F N 1.059 121.104 119.950 0.158 0.000 2.608 284 F HA 0.390 4.917 4.527 -0.001 0.000 0.383 284 F C 0.246 176.126 175.800 0.132 0.000 1.371 284 F CA -0.825 57.254 58.000 0.132 0.000 1.123 284 F CB -0.918 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 1.314 119.856 118.700 -0.264 0.000 2.375 285 N HA 0.181 4.920 4.740 -0.001 0.000 0.220 285 N C -0.196 175.107 175.510 -0.344 0.000 1.170 285 N CA -0.096 52.563 53.050 -0.653 0.000 0.833 285 N CB 0.257 38.159 38.487 -0.975 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 -0.170 0.000 2.637 286 R HA 0.222 4.562 4.340 -0.001 0.000 0.291 286 R C 0.077 176.307 176.300 -0.117 0.000 0.963 286 R CA -0.643 55.319 56.100 -0.230 0.000 0.901 286 R CB 0.958 30.973 30.300 -0.476 0.000 1.160 286 R HN 0.121 nan 8.270 nan 0.000 0.457 287 F N 0.910 120.877 119.950 0.029 0.000 2.171 287 F HA -0.170 4.357 4.527 -0.001 0.000 0.300 287 F C 2.254 178.156 175.800 0.170 0.000 1.090 287 F CA 1.627 59.758 58.000 0.218 0.000 1.293 287 F CB -0.067 38.911 39.000 -0.036 0.000 1.013 287 F HN 0.715 nan 8.300 nan 0.000 0.486 288 H N -2.945 116.245 119.070 0.201 0.000 2.563 288 H HA -0.011 4.544 4.556 -0.001 0.000 0.272 288 H C 1.681 177.051 175.328 0.071 0.000 1.005 288 H CA 0.409 56.522 56.048 0.107 0.000 1.171 288 H CB -1.451 28.337 29.762 0.042 0.000 1.351 288 H HN 0.236 nan 8.280 nan 0.000 0.602 289 C N 0.542 119.792 119.300 -0.083 0.000 2.448 289 C HA -0.002 4.457 4.460 -0.001 0.000 0.280 289 C C 1.733 176.481 174.990 -0.405 0.000 1.398 289 C CA 0.849 59.703 59.018 -0.273 0.000 1.774 289 C CB -0.634 26.803 27.740 -0.506 0.000 1.888 289 C HN 0.800 nan 8.230 nan 0.000 0.519 290 H N -2.922 116.246 119.070 0.164 0.000 2.545 290 H HA 0.225 4.780 4.556 -0.001 0.000 0.251 290 H C -0.040 175.214 175.328 -0.124 0.000 0.934 290 H CA 0.154 56.212 56.048 0.016 0.000 1.116 290 H CB -0.112 29.680 29.762 0.050 0.000 1.439 290 H HN 0.312 nan 8.280 nan 0.000 0.445 291 F N 3.494 123.598 119.950 0.257 0.000 2.411 291 F HA 0.209 4.736 4.527 -0.001 0.000 0.355 291 F C 1.106 176.992 175.800 0.144 0.000 1.117 291 F CA -0.805 57.309 58.000 0.190 0.000 1.139 291 F CB 1.081 40.262 39.000 0.300 0.000 1.120 291 F HN -0.019 nan 8.300 nan 0.000 0.493 292 S N 3.937 119.791 115.700 0.258 0.000 2.584 292 S HA 0.219 4.689 4.470 -0.001 0.000 0.270 292 S C -1.862 172.844 174.600 0.175 0.000 1.346 292 S CA -1.013 57.297 58.200 0.184 0.000 1.018 292 S CB 1.219 64.507 63.200 0.147 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 1.736 179.022 177.300 -0.023 0.000 1.157 293 P CA 1.213 64.214 63.100 -0.165 0.000 0.874 293 P CB -0.057 31.406 31.700 -0.394 0.000 0.790 294 R N 0.401 120.931 120.500 0.051 0.000 2.103 294 R HA -0.164 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 2.000 58.148 56.100 0.080 0.000 0.960 294 R CB -1.658 28.703 30.300 0.101 0.000 0.858 294 R HN 0.120 nan 8.270 nan 0.000 0.439 295 D N -0.614 119.936 120.400 0.248 0.000 2.097 295 D HA -0.221 4.419 4.640 -0.001 0.000 0.195 295 D C 1.653 178.178 176.300 0.375 0.000 0.989 295 D CA 1.205 55.474 54.000 0.447 0.000 0.827 295 D CB -0.613 40.516 40.800 0.548 0.000 0.966 295 D HN 0.374 nan 8.370 nan 0.000 0.456 296 W N 2.039 123.370 121.300 0.051 0.000 2.325 296 W HA -0.240 4.419 4.660 -0.001 0.000 0.299 296 W C 2.154 178.521 176.519 -0.254 0.000 1.215 296 W CA 1.442 58.657 57.345 -0.217 0.000 1.244 296 W CB -0.093 29.195 29.460 -0.287 0.000 1.140 296 W HN 0.114 nan 8.180 nan 0.000 0.523 297 Q N 0.323 120.073 119.800 -0.083 0.000 2.084 297 Q HA -0.216 4.123 4.340 -0.001 0.000 0.202 297 Q C 2.387 178.255 176.000 -0.221 0.000 0.978 297 Q CA 1.823 57.513 55.803 -0.189 0.000 0.844 297 Q CB -0.197 28.499 28.738 -0.070 0.000 0.898 297 Q HN 0.266 nan 8.270 nan 0.000 0.426 298 R N 0.162 120.546 120.500 -0.194 0.000 2.081 298 R HA -0.126 4.214 4.340 -0.001 0.000 0.235 298 R C 2.479 178.562 176.300 -0.362 0.000 1.131 298 R CA 1.347 57.227 56.100 -0.367 0.000 0.960 298 R CB -0.484 29.412 30.300 -0.674 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 -0.208 0.000 1.976 299 L HA -0.190 4.149 4.340 -0.001 0.000 0.209 299 L C 2.147 178.801 176.870 -0.361 0.000 1.071 299 L CA 1.279 55.987 54.840 -0.220 0.000 0.746 299 L CB -0.197 41.561 42.059 -0.500 0.000 0.890 299 L HN 0.134 nan 8.230 nan 0.000 0.432 300 I N 0.628 120.865 120.570 -0.555 0.000 2.208 300 I HA -0.300 3.870 4.170 -0.001 0.000 0.245 300 I C 1.794 177.779 176.117 -0.220 0.000 1.097 300 I CA 1.462 62.480 61.300 -0.469 0.000 1.363 300 I CB -1.564 36.057 38.000 -0.632 0.000 1.051 300 I HN 0.434 nan 8.210 nan 0.000 0.413 301 N N 0.937 119.507 118.700 -0.216 0.000 2.398 301 N HA -0.025 4.715 4.740 -0.001 0.000 0.188 301 N C 0.870 176.346 175.510 -0.057 0.000 1.122 301 N CA 0.351 53.338 53.050 -0.104 0.000 0.866 301 N CB -0.025 38.392 38.487 -0.115 0.000 0.970 301 N HN 0.451 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 -0.798 174.685 175.510 -0.046 0.000 1.310 302 N CA -0.052 52.949 53.050 -0.083 0.000 0.896 302 N CB 0.916 39.310 38.487 -0.154 0.000 1.097 302 N HN 0.111 nan 8.380 nan 0.000 0.507 303 N N -0.219 118.513 118.700 0.053 0.000 2.346 303 N HA 0.146 4.886 4.740 -0.001 0.000 0.289 303 N C 0.277 175.999 175.510 0.352 0.000 1.027 303 N CA -0.434 52.693 53.050 0.128 0.000 0.864 303 N CB 1.680 40.250 38.487 0.138 0.000 1.370 303 N HN 0.119 nan 8.380 nan 0.000 0.481 304 W N 1.998 123.285 121.300 -0.021 0.000 2.341 304 W HA -0.130 4.529 4.660 -0.001 0.000 0.283 304 W C 1.092 177.644 176.519 0.055 0.000 1.215 304 W CA 0.231 57.550 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 -1.613 107.377 108.800 0.318 0.000 2.430 305 G HA2 0.433 4.393 3.960 -0.001 0.000 0.300 305 G HA3 0.433 4.393 3.960 -0.001 0.000 0.300 305 G C -1.779 173.475 174.900 0.591 0.000 1.330 305 G CA -0.571 44.745 45.100 0.360 0.000 0.813 305 G HN 0.128 nan 8.290 nan 0.000 0.487 306 F N -1.411 118.960 119.950 0.702 0.000 2.858 306 F HA 0.930 5.457 4.527 -0.001 0.000 0.319 306 F C -0.888 175.312 175.800 0.666 0.000 1.166 306 F CA -1.135 57.313 58.000 0.747 0.000 0.899 306 F CB 1.435 40.677 39.000 0.404 0.000 1.332 306 F HN 0.997 nan 8.300 nan 0.000 0.461 307 R N -0.043 120.782 120.500 0.542 0.000 2.728 307 R HA 0.724 5.064 4.340 -0.001 0.000 0.274 307 R C -3.642 172.627 176.300 -0.052 0.000 1.032 307 R CA -1.853 54.207 56.100 -0.066 0.000 0.866 307 R CB 1.741 31.718 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 -0.767 176.025 177.300 -0.848 0.000 1.252 308 P CA -0.597 61.768 63.100 -1.226 0.000 0.811 308 P CB 1.222 31.593 31.700 -2.215 0.000 1.035 309 K N 0.537 120.537 120.400 -0.667 0.000 2.524 309 K HA 0.289 4.608 4.320 -0.001 0.000 0.210 309 K C 0.381 176.968 176.600 -0.022 0.000 1.340 309 K CA 0.806 56.938 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 -0.068 0.000 2.378 310 K HA 0.567 4.886 4.320 -0.001 0.000 0.244 310 K C -1.342 175.290 176.600 0.053 0.000 1.039 310 K CA -0.954 55.323 56.287 -0.017 0.000 0.863 310 K CB 1.981 34.414 32.500 -0.110 0.000 1.326 310 K HN -0.071 nan 8.250 nan 0.000 0.460 311 L N -0.286 120.940 121.223 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 4.507 120.183 115.700 -0.041 0.000 2.605 312 S HA 0.653 5.123 4.470 -0.001 0.000 0.308 312 S C -1.243 173.396 174.600 0.064 0.000 1.113 312 S CA -0.287 57.889 58.200 -0.040 0.000 1.049 312 S CB 1.009 64.151 63.200 -0.097 0.000 1.001 312 S HN 0.496 nan 8.310 nan 0.000 0.480 313 F N 3.416 123.374 119.950 0.014 0.000 2.469 313 F HA 0.687 5.213 4.527 -0.001 0.000 0.332 313 F C -0.278 175.593 175.800 0.117 0.000 1.103 313 F CA -0.488 57.571 58.000 0.098 0.000 0.979 313 F CB 0.983 40.172 39.000 0.314 0.000 1.137 313 F HN 0.416 nan 8.300 nan 0.000 0.463 314 K N 7.285 127.312 120.400 -0.622 0.000 2.535 314 K HA 0.532 4.852 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 55.547 56.287 -0.223 0.000 0.798 314 K CB 1.577 34.042 32.500 -0.057 0.000 1.267 314 K HN 0.773 nan 8.250 nan 0.000 0.434 315 L N 5.873 127.164 121.223 0.114 0.000 2.346 315 L HA 0.698 5.038 4.340 -0.001 0.000 0.276 315 L C -0.742 176.384 176.870 0.427 0.000 1.006 315 L CA -0.874 54.054 54.840 0.146 0.000 0.817 315 L CB 0.987 43.120 42.059 0.123 0.000 1.272 315 L HN 0.704 nan 8.230 nan 0.000 0.421 316 F N -0.634 119.420 119.950 0.173 0.000 2.877 316 F HA 0.367 4.894 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 56.609 58.000 0.129 0.000 0.903 316 F CB 1.078 40.120 39.000 0.070 0.000 1.357 316 F HN 0.484 nan 8.300 nan 0.000 0.472 317 N N 0.580 119.434 118.700 0.258 0.000 2.705 317 N HA -0.200 4.539 4.740 -0.001 0.000 0.255 317 N C -1.105 174.389 175.510 -0.027 0.000 1.008 317 N CA 0.519 53.631 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 0.903 121.490 120.570 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 -0.005 0.000 1.383 318 I CB 0.896 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 5.433 125.149 119.800 -0.140 0.000 2.285 319 Q HA 0.510 4.849 4.340 -0.001 0.000 0.269 319 Q C -1.400 174.485 176.000 -0.191 0.000 1.030 319 Q CA -0.759 54.955 55.803 -0.148 0.000 0.788 319 Q CB 3.138 31.770 28.738 -0.177 0.000 1.266 319 Q HN 0.392 nan 8.270 nan 0.000 0.438 320 V N 3.338 123.159 119.914 -0.155 0.000 2.347 320 V HA 0.354 4.473 4.120 -0.001 0.000 0.280 320 V C -0.323 175.623 176.094 -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 4.201 124.334 120.400 -0.445 0.000 2.244 321 K HA 0.562 4.882 4.320 -0.001 0.000 0.260 321 K C -0.349 176.116 176.600 -0.225 0.000 0.951 321 K CA -0.605 55.445 56.287 -0.396 0.000 0.826 321 K CB 2.523 34.639 32.500 -0.640 0.000 1.108 321 K HN 0.892 nan 8.250 nan 0.000 0.433 322 E N 0.286 120.453 120.200 -0.055 0.000 2.183 322 E HA 0.495 4.844 4.350 -0.001 0.000 0.271 322 E C -0.860 175.788 176.600 0.079 0.000 0.919 322 E CA -1.010 55.412 56.400 0.036 0.000 0.781 322 E CB 1.979 31.697 29.700 0.029 0.000 1.140 322 E HN 0.134 nan 8.360 nan 0.000 0.402 323 V N 2.331 122.312 119.914 0.111 0.000 2.815 323 V HA 0.803 4.922 4.120 -0.001 0.000 0.314 323 V C -1.040 175.090 176.094 0.060 0.000 1.064 323 V CA 0.004 62.359 62.300 0.092 0.000 0.952 323 V CB 2.112 33.995 31.823 0.101 0.000 1.020 323 V HN 1.022 nan 8.190 nan 0.000 0.439 324 T N 2.809 117.389 114.554 0.043 0.000 2.928 324 T HA 0.578 4.928 4.350 -0.001 0.000 0.296 324 T C -0.923 173.790 174.700 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 70.460 68.868 0.031 0.000 1.005 324 T HN 0.602 nan 8.240 nan 0.000 0.442 325 Q N 2.954 122.764 119.800 0.017 0.000 2.503 325 Q HA 0.394 4.733 4.340 -0.001 0.000 0.227 325 Q C 0.862 176.868 176.000 0.010 0.000 1.109 325 Q CA -0.483 55.325 55.803 0.010 0.000 0.922 325 Q CB 0.532 29.273 28.738 0.005 0.000 1.249 325 Q HN 0.544 nan 8.270 nan 0.000 0.530 326 N N 1.137 119.843 118.700 0.009 0.000 2.132 326 N HA -0.077 4.663 4.740 -0.001 0.000 0.187 326 N C 0.098 175.612 175.510 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 -1.629 118.773 120.400 0.004 0.000 3.051 327 D HA 0.227 4.867 4.640 -0.001 0.000 0.216 327 D C 1.038 177.338 176.300 -0.000 0.000 1.454 327 D CA 0.493 54.494 54.000 0.002 0.000 1.400 327 D CB -0.477 40.324 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 0.263 4.223 3.960 -0.001 0.000 0.286 328 G HA3 0.263 4.223 3.960 -0.001 0.000 0.286 328 G C -0.220 174.677 174.900 -0.004 0.000 1.005 328 G CA 0.109 45.207 45.100 -0.003 0.000 0.824 328 G HN 0.241 nan 8.290 nan 0.000 0.489 329 T N 0.686 115.238 114.554 -0.002 0.000 2.881 329 T HA 0.524 4.874 4.350 -0.001 0.000 0.290 329 T C -0.327 174.373 174.700 0.000 0.000 1.000 329 T CA -0.269 61.830 62.100 -0.002 0.000 0.978 329 T CB 1.357 70.224 68.868 -0.001 0.000 0.997 329 T HN 0.113 nan 8.240 nan 0.000 0.443 330 T N 2.230 116.783 114.554 -0.002 0.000 2.727 330 T HA 0.533 4.882 4.350 -0.001 0.000 0.298 330 T C 0.417 175.122 174.700 0.008 0.000 0.942 330 T CA -0.798 61.303 62.100 0.001 0.000 0.997 330 T CB 0.256 69.119 68.868 -0.007 0.000 0.917 330 T HN 0.714 nan 8.240 nan 0.000 0.487 331 T N 2.004 116.567 114.554 0.015 0.000 2.837 331 T HA 0.663 5.013 4.350 -0.001 0.000 0.285 331 T C 0.002 174.722 174.700 0.034 0.000 0.984 331 T CA -0.941 61.170 62.100 0.020 0.000 1.049 331 T CB 0.504 69.382 68.868 0.016 0.000 0.947 331 T HN 0.645 nan 8.240 nan 0.000 0.472 332 I N 2.166 122.760 120.570 0.041 0.000 2.406 332 I HA 0.670 4.839 4.170 -0.001 0.000 0.290 332 I C 0.160 176.300 176.117 0.039 0.000 0.999 332 I CA -1.039 60.300 61.300 0.066 0.000 1.124 332 I CB 1.555 39.621 38.000 0.109 0.000 1.289 332 I HN 0.914 nan 8.210 nan 0.000 0.441 333 A N 5.325 128.161 122.820 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 1.981 120.664 118.700 -0.028 0.000 2.470 334 N HA 0.126 4.866 4.740 -0.001 0.000 0.268 334 N C -0.979 174.510 175.510 -0.034 0.000 1.136 334 N CA 0.174 53.198 53.050 -0.044 0.000 0.961 334 N CB 0.758 39.223 38.487 -0.036 0.000 1.067 334 N HN 0.590 nan 8.380 nan 0.000 0.468 335 N N 3.419 122.092 118.700 -0.046 0.000 2.699 335 N HA 0.204 4.944 4.740 -0.001 0.000 0.232 335 N C 0.899 176.393 175.510 -0.028 0.000 1.027 335 N CA -0.285 52.748 53.050 -0.029 0.000 0.920 335 N CB 0.329 38.801 38.487 -0.025 0.000 1.148 335 N HN 0.453 nan 8.380 nan 0.000 0.509 336 L N 0.985 122.197 121.223 -0.017 0.000 2.156 336 L HA -0.066 4.273 4.340 -0.001 0.000 0.208 336 L C 1.984 178.852 176.870 -0.004 0.000 1.095 336 L CA 1.281 56.114 54.840 -0.012 0.000 0.770 336 L CB -0.454 41.601 42.059 -0.007 0.000 0.914 336 L HN 0.528 nan 8.230 nan 0.000 0.439 337 T N -4.380 110.174 114.554 -0.001 0.000 3.148 337 T HA 0.012 4.361 4.350 -0.001 0.000 0.253 337 T C 0.965 175.667 174.700 0.003 0.000 1.134 337 T CA -0.061 62.042 62.100 0.004 0.000 1.051 337 T CB 0.040 68.911 68.868 0.005 0.000 0.959 337 T HN 0.094 nan 8.240 nan 0.000 0.525 338 S N 1.951 117.649 115.700 -0.003 0.000 2.601 338 S HA 0.522 4.991 4.470 -0.001 0.000 0.271 338 S C 0.416 175.016 174.600 0.001 0.000 1.305 338 S CA -0.421 57.775 58.200 -0.006 0.000 1.022 338 S CB 0.704 63.895 63.200 -0.016 0.000 0.940 338 S HN 0.743 nan 8.310 nan 0.000 0.525 339 T N 0.226 114.780 114.554 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 0.149 120.083 119.914 0.033 0.000 3.087 340 V HA 0.523 4.643 4.120 -0.001 0.000 0.306 340 V C -1.791 174.326 176.094 0.038 0.000 1.187 340 V CA -0.790 61.524 62.300 0.024 0.000 0.999 340 V CB 2.404 34.273 31.823 0.077 0.000 1.049 340 V HN 1.067 nan 8.190 nan 0.000 0.431 341 Q N 3.478 123.281 119.800 0.005 0.000 2.331 341 Q HA 0.764 5.104 4.340 -0.001 0.000 0.267 341 Q C -1.454 174.668 176.000 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 0.552 nan 8.270 nan 0.000 0.450 342 V N 3.363 123.374 119.914 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 1.325 32.816 31.823 -0.553 0.000 1.013 342 V HN 0.791 nan 8.190 nan 0.000 0.430 343 F N 0.320 120.119 119.950 -0.251 0.000 2.817 343 F HA 0.805 5.332 4.527 -0.001 0.000 0.317 343 F C -0.902 174.703 175.800 -0.325 0.000 1.168 343 F CA -0.686 57.189 58.000 -0.209 0.000 0.911 343 F CB 1.981 40.897 39.000 -0.139 0.000 1.337 343 F HN 0.470 nan 8.300 nan 0.000 0.464 344 T N 0.679 115.090 114.554 -0.238 0.000 2.841 344 T HA 0.286 4.636 4.350 -0.001 0.000 0.285 344 T C -1.535 172.991 174.700 -0.290 0.000 0.991 344 T CA -0.409 61.391 62.100 -0.499 0.000 0.966 344 T CB 0.910 69.372 68.868 -0.677 0.000 0.962 344 T HN 0.836 nan 8.240 nan 0.000 0.438 345 D N 3.379 123.519 120.400 -0.433 0.000 2.498 345 D HA 0.250 4.889 4.640 -0.001 0.000 0.229 345 D C 0.857 176.914 176.300 -0.405 0.000 1.188 345 D CA 0.108 53.923 54.000 -0.308 0.000 1.028 345 D CB 0.064 40.648 40.800 -0.360 0.000 1.087 345 D HN 0.428 nan 8.370 nan 0.000 0.510 346 S N 2.021 117.539 115.700 -0.302 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 58.036 58.200 -0.382 0.000 0.919 346 S CB 0.230 63.375 63.200 -0.093 0.000 0.778 346 S HN 0.536 nan 8.310 nan 0.000 0.523 347 E N 0.294 120.330 120.200 -0.273 0.000 2.474 347 E HA 0.129 4.479 4.350 -0.001 0.000 0.195 347 E C -0.886 175.737 176.600 0.039 0.000 1.039 347 E CA -0.318 56.035 56.400 -0.078 0.000 0.881 347 E CB 0.055 29.763 29.700 0.013 0.000 0.970 347 E HN 0.539 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 -2.420 36.026 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 1.870 122.977 121.223 -0.193 0.000 2.325 350 L HA 0.382 4.722 4.340 -0.001 0.000 0.279 350 L C -2.227 174.487 176.870 -0.261 0.000 1.054 350 L CA -2.422 52.167 54.840 -0.418 0.000 0.804 350 L CB 0.965 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 -0.121 nan 4.420 nan 0.000 0.260 351 P C -1.077 176.263 177.300 0.067 0.000 1.185 351 P CA 0.166 63.218 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 4.151 124.446 120.300 -0.008 0.000 2.584 352 Y HA 0.118 4.668 4.550 -0.001 0.000 0.351 352 Y C 1.211 177.120 175.900 0.015 0.000 1.030 352 Y CA 0.287 58.394 58.100 0.011 0.000 1.332 352 Y CB 0.366 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 7.064 126.807 119.914 -0.285 0.000 3.621 353 V HA 0.129 4.248 4.120 -0.001 0.000 0.285 353 V C 0.522 176.431 176.094 -0.309 0.000 1.346 353 V CA 0.304 62.455 62.300 -0.248 0.000 1.104 353 V CB -0.611 31.018 31.823 -0.324 0.000 0.913 353 V HN 0.590 nan 8.190 nan 0.000 0.432 354 L N -0.246 120.625 121.223 -0.587 0.000 2.488 354 L HA 0.570 4.910 4.340 -0.001 0.000 0.249 354 L C 1.569 178.344 176.870 -0.158 0.000 1.151 354 L CA 0.296 54.886 54.840 -0.417 0.000 0.806 354 L CB -0.072 41.617 42.059 -0.617 0.000 1.261 354 L HN 0.282 nan 8.230 nan 0.000 0.484 355 G N 0.158 108.877 108.800 -0.135 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 0.458 175.356 174.900 -0.003 0.000 1.024 355 G CA 0.524 45.582 45.100 -0.070 0.000 0.784 355 G HN 0.528 nan 8.290 nan 0.000 0.507 356 S N -0.500 115.199 115.700 -0.003 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 0.983 59.134 58.200 -0.082 0.000 1.014 356 S CB 0.646 63.827 63.200 -0.031 0.000 0.918 356 S HN 2.146 nan 8.310 nan 0.000 0.519 357 A N 1.597 124.348 122.820 -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 0.899 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 0.667 nan 8.150 nan 0.000 0.642 358 H N -0.118 118.955 119.070 0.004 0.000 2.767 358 H HA 0.252 4.808 4.556 -0.001 0.000 0.380 358 H C 1.011 176.362 175.328 0.038 0.000 1.409 358 H CA 0.929 56.991 56.048 0.023 0.000 1.463 358 H CB 0.289 30.075 29.762 0.040 0.000 1.514 358 H HN 0.744 nan 8.280 nan 0.000 0.619 359 Q N -1.195 118.722 119.800 0.196 0.000 2.180 359 Q HA 0.404 4.743 4.340 -0.001 0.000 0.241 359 Q C 0.541 176.598 176.000 0.096 0.000 0.970 359 Q CA -0.232 55.647 55.803 0.126 0.000 0.919 359 Q CB 1.628 30.430 28.738 0.106 0.000 1.222 359 Q HN 0.958 nan 8.270 nan 0.000 0.482 360 G N -0.423 108.424 108.800 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 -0.346 44.788 45.100 0.057 0.000 0.668 360 G HN 0.575 nan 8.290 nan 0.000 0.516 361 C N 0.249 119.537 119.300 -0.019 0.000 2.641 361 C HA 0.613 5.073 4.460 -0.001 0.000 0.318 361 C C 1.596 176.407 174.990 -0.298 0.000 1.490 361 C CA -0.651 58.313 59.018 -0.091 0.000 2.260 361 C CB -0.017 27.705 27.740 -0.031 0.000 2.103 361 C HN 0.495 nan 8.230 nan 0.000 0.641 362 L N 2.385 123.426 121.223 -0.303 0.000 2.410 362 L HA 0.215 4.555 4.340 -0.001 0.000 0.273 362 L C -2.077 174.724 176.870 -0.115 0.000 1.152 362 L CA -1.107 53.471 54.840 -0.435 0.000 0.855 362 L CB -0.095 41.824 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 -2.000 175.383 177.300 0.138 0.000 1.182 363 P CA -0.856 62.307 63.100 0.105 0.000 0.761 363 P CB 0.182 31.980 31.700 0.163 0.000 0.795 364 P HA -0.152 nan 4.420 nan 0.000 0.216 364 P C 0.212 177.515 177.300 0.004 0.000 1.150 364 P CA 1.249 64.412 63.100 0.104 0.000 0.843 364 P CB -0.021 31.622 31.700 -0.095 0.000 0.787 365 F N -0.207 119.585 119.950 -0.264 0.000 2.411 365 F HA 0.286 4.813 4.527 -0.001 0.000 0.350 365 F C -1.699 174.055 175.800 -0.077 0.000 1.114 365 F CA -3.002 54.773 58.000 -0.376 0.000 1.135 365 F CB 1.053 39.746 39.000 -0.513 0.000 1.120 365 F HN -0.111 nan 8.300 nan 0.000 0.495 366 P HA -0.148 nan 4.420 nan 0.000 0.218 366 P C 0.998 178.272 177.300 -0.045 0.000 1.148 366 P CA 1.749 64.758 63.100 -0.151 0.000 0.822 366 P CB 0.091 31.704 31.700 -0.145 0.000 0.784 367 A N -1.033 121.615 122.820 -0.287 0.000 2.119 367 A HA -0.054 4.266 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 0.724 52.759 52.037 -0.003 0.000 0.692 367 A CB -0.938 18.118 19.000 0.093 0.000 0.799 367 A HN 0.095 nan 8.150 nan 0.000 0.458 368 D N 0.159 120.713 120.400 0.255 0.000 2.348 368 D HA 0.379 5.018 4.640 -0.001 0.000 0.253 368 D C -0.191 176.272 176.300 0.272 0.000 1.161 368 D CA 0.142 54.300 54.000 0.263 0.000 0.876 368 D CB 1.385 42.353 40.800 0.280 0.000 1.160 368 D HN -0.020 nan 8.370 nan 0.000 0.459 369 V N 3.268 123.323 119.914 0.235 0.000 2.686 369 V HA 0.424 4.544 4.120 -0.001 0.000 0.295 369 V C 0.090 176.369 176.094 0.309 0.000 1.057 369 V CA -0.486 61.961 62.300 0.246 0.000 1.012 369 V CB 0.511 32.404 31.823 0.118 0.000 1.006 369 V HN 0.423 nan 8.190 nan 0.000 0.477 370 F N 2.521 122.560 119.950 0.149 0.000 2.593 370 F HA 0.777 5.303 4.527 -0.001 0.000 0.320 370 F C -0.458 175.423 175.800 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 3.277 122.916 119.600 0.065 0.000 2.264 371 M HA 0.526 5.005 4.480 -0.001 0.000 0.352 371 M C -1.339 174.958 176.300 -0.004 0.000 1.173 371 M CA -0.850 54.426 55.300 -0.040 0.000 1.075 371 M CB 1.537 34.163 32.600 0.043 0.000 1.621 371 M HN 0.611 nan 8.290 nan 0.000 0.457 372 V N 7.367 127.204 119.914 -0.128 0.000 2.508 372 V HA 0.249 4.369 4.120 -0.001 0.000 0.281 372 V C -2.056 173.962 176.094 -0.126 0.000 1.041 372 V CA -1.269 60.922 62.300 -0.181 0.000 1.016 372 V CB 0.457 32.033 31.823 -0.411 0.000 0.984 372 V HN 0.758 nan 8.190 nan 0.000 0.478 373 P HA 0.100 nan 4.420 nan 0.000 0.269 373 P C -0.574 176.426 177.300 -0.500 0.000 1.215 373 P CA -0.142 62.708 63.100 -0.415 0.000 0.780 373 P CB 0.469 31.733 31.700 -0.726 0.000 0.898 374 Q N 1.281 120.761 119.800 -0.533 0.000 2.230 374 Q HA 0.238 4.578 4.340 -0.001 0.000 0.248 374 Q C -1.313 174.699 176.000 0.020 0.000 0.915 374 Q CA -0.704 54.708 55.803 -0.651 0.000 0.900 374 Q CB 0.495 28.482 28.738 -1.251 0.000 1.229 374 Q HN 0.377 nan 8.270 nan 0.000 0.439 375 Y N 1.467 121.767 120.300 -0.000 0.000 2.327 375 Y HA 0.581 5.131 4.550 -0.001 0.000 0.336 375 Y C -0.298 175.604 175.900 0.003 0.000 1.035 375 Y CA 0.140 58.259 58.100 0.031 0.000 1.165 375 Y CB 1.223 39.709 38.460 0.044 0.000 1.181 375 Y HN 0.639 nan 8.280 nan 0.000 0.494 376 G N 5.070 113.506 108.800 -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 -2.294 172.300 174.900 -0.510 0.000 1.398 376 G CA -0.823 43.993 45.100 -0.473 0.000 0.920 376 G HN 0.743 nan 8.290 nan 0.000 0.492 377 Y N -1.063 119.035 120.300 -0.337 0.000 2.615 377 Y HA 0.822 5.372 4.550 -0.001 0.000 0.341 377 Y C -1.175 174.737 175.900 0.020 0.000 1.089 377 Y CA -1.693 56.296 58.100 -0.185 0.000 1.049 377 Y CB 1.538 39.918 38.460 -0.134 0.000 1.296 377 Y HN 0.467 nan 8.280 nan 0.000 0.470 378 L N 2.005 123.362 121.223 0.223 0.000 2.334 378 L HA 0.733 5.072 4.340 -0.001 0.000 0.273 378 L C -0.222 176.858 176.870 0.350 0.000 1.013 378 L CA -0.609 54.359 54.840 0.214 0.000 0.816 378 L CB 2.408 44.588 42.059 0.202 0.000 1.278 378 L HN 0.965 nan 8.230 nan 0.000 0.431 379 T N 0.344 115.102 114.554 0.339 0.000 2.688 379 T HA 0.451 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 0.884 70.034 68.868 0.470 0.000 1.673 379 T HN 0.118 nan 8.240 nan 0.000 0.565 380 L N 2.979 124.360 121.223 0.265 0.000 2.326 380 L HA 0.577 4.917 4.340 -0.001 0.000 0.278 380 L C -0.576 176.383 176.870 0.150 0.000 1.092 380 L CA -0.366 54.585 54.840 0.185 0.000 0.810 380 L CB 0.125 42.270 42.059 0.143 0.000 1.153 380 L HN 0.909 nan 8.230 nan 0.000 0.439 381 N N 1.288 120.055 118.700 0.111 0.000 2.331 381 N HA 0.328 5.068 4.740 -0.001 0.000 0.280 381 N C -1.376 174.140 175.510 0.010 0.000 1.155 381 N CA -0.735 52.341 53.050 0.043 0.000 0.822 381 N CB 0.944 39.504 38.487 0.122 0.000 1.619 381 N HN 0.362 nan 8.380 nan 0.000 0.476 382 N N 1.102 119.763 118.700 -0.064 0.000 2.816 382 N HA 0.435 5.175 4.740 -0.001 0.000 0.236 382 N C 0.636 176.067 175.510 -0.133 0.000 1.076 382 N CA 0.987 53.996 53.050 -0.068 0.000 0.902 382 N CB 0.046 38.487 38.487 -0.075 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 -0.141 0.000 2.523 383 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.271 383 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.271 383 G C 0.790 175.482 174.900 -0.346 0.000 1.146 383 G CA 0.519 45.365 45.100 -0.423 0.000 0.961 383 G HN 0.776 nan 8.290 nan 0.000 0.549 384 S N 0.257 115.712 115.700 -0.409 0.000 2.528 384 S HA 0.302 4.771 4.470 -0.001 0.000 0.219 384 S C 1.074 175.603 174.600 -0.118 0.000 0.985 384 S CA 1.300 59.441 58.200 -0.099 0.000 0.914 384 S CB 0.235 63.428 63.200 -0.010 0.000 0.776 384 S HN 0.757 nan 8.310 nan 0.000 0.526 385 Q N 0.584 120.257 119.800 -0.212 0.000 2.237 385 Q HA 0.718 5.058 4.340 -0.001 0.000 0.219 385 Q C -0.319 175.391 176.000 -0.483 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 0.364 122.776 122.820 -0.680 0.000 2.346 386 A HA 0.703 5.023 4.320 -0.001 0.000 0.313 386 A C -0.688 176.709 177.584 -0.312 0.000 1.140 386 A CA -0.605 51.022 52.037 -0.684 0.000 0.826 386 A CB 0.999 19.249 19.000 -1.250 0.000 1.332 386 A HN 0.465 nan 8.150 nan 0.000 0.457 387 V N -0.464 119.346 119.914 -0.173 0.000 3.406 387 V HA 0.531 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 -0.432 108.353 108.800 -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 0.902 121.421 120.500 0.031 0.000 2.363 389 R HA 0.214 4.554 4.340 -0.001 0.000 0.236 389 R C 0.086 176.435 176.300 0.083 0.000 0.966 389 R CA -0.176 55.956 56.100 0.052 0.000 1.100 389 R CB 0.195 30.527 30.300 0.054 0.000 1.125 389 R HN 0.133 nan 8.270 nan 0.000 0.514 390 S N 0.360 116.117 115.700 0.095 0.000 2.584 390 S HA 0.219 4.688 4.470 -0.001 0.000 0.273 390 S C 0.070 174.766 174.600 0.160 0.000 1.311 390 S CA -0.281 58.020 58.200 0.168 0.000 1.034 390 S CB 1.711 65.039 63.200 0.214 0.000 0.939 390 S HN 0.060 nan 8.310 nan 0.000 0.513 391 S N 2.314 118.118 115.700 0.174 0.000 2.437 391 S HA 0.517 4.987 4.470 -0.001 0.000 0.305 391 S C -0.921 173.624 174.600 -0.092 0.000 1.109 391 S CA -0.550 57.610 58.200 -0.066 0.000 1.099 391 S CB 0.479 63.567 63.200 -0.187 0.000 1.004 391 S HN 0.556 nan 8.310 nan 0.000 0.475 392 F N 4.042 123.745 119.950 -0.411 0.000 2.427 392 F HA 0.561 5.088 4.527 -0.001 0.000 0.346 392 F C -1.484 173.999 175.800 -0.527 0.000 1.120 392 F CA -1.460 56.293 58.000 -0.411 0.000 1.033 392 F CB 0.444 39.200 39.000 -0.407 0.000 1.126 392 F HN 0.520 nan 8.300 nan 0.000 0.462 393 Y N 5.532 125.538 120.300 -0.491 0.000 2.328 393 Y HA 0.402 4.951 4.550 -0.001 0.000 0.333 393 Y C -0.071 175.455 175.900 -0.624 0.000 0.958 393 Y CA -0.857 56.963 58.100 -0.467 0.000 1.167 393 Y CB 1.408 39.676 38.460 -0.321 0.000 1.151 393 Y HN 0.715 nan 8.280 nan 0.000 0.470 394 C N 5.784 124.814 119.300 -0.450 0.000 2.307 394 C HA 0.402 4.862 4.460 -0.001 0.000 0.340 394 C C 0.992 176.050 174.990 0.112 0.000 1.275 394 C CA -0.578 58.221 59.018 -0.366 0.000 1.811 394 C CB -0.801 26.669 27.740 -0.450 0.000 2.372 394 C HN 0.981 nan 8.230 nan 0.000 0.531 395 L N 4.407 125.756 121.223 0.210 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 0.093 0.000 1.137 395 L CA 1.257 56.084 54.840 -0.022 0.000 0.863 395 L CB -0.439 41.164 42.059 -0.761 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 0.336 0.000 2.435 396 E HA -0.142 4.208 4.350 -0.001 0.000 0.195 396 E C 1.157 177.870 176.600 0.189 0.000 1.029 396 E CA 0.498 57.095 56.400 0.328 0.000 0.865 396 E CB -0.092 29.813 29.700 0.342 0.000 0.833 396 E HN 0.544 nan 8.360 nan 0.000 0.510 397 Y N -0.136 120.157 120.300 -0.011 0.000 2.495 397 Y HA 0.120 4.669 4.550 -0.001 0.000 0.293 397 Y C -0.394 175.275 175.900 -0.386 0.000 1.186 397 Y CA -0.319 57.678 58.100 -0.172 0.000 1.266 397 Y CB -0.004 38.320 38.460 -0.226 0.000 1.101 397 Y HN -0.229 nan 8.280 nan 0.000 0.517 398 F N 1.001 120.702 119.950 -0.415 0.000 2.495 398 F HA 0.433 4.959 4.527 -0.001 0.000 0.327 398 F C -2.170 173.286 175.800 -0.573 0.000 1.103 398 F CA -3.138 54.471 58.000 -0.651 0.000 0.949 398 F CB 0.901 39.167 39.000 -1.224 0.000 1.142 398 F HN -0.058 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 -0.052 62.955 63.100 -0.156 0.000 0.763 399 P CB 0.569 32.200 31.700 -0.114 0.000 0.806 400 S N 1.698 117.394 115.700 -0.007 0.000 2.548 400 S HA 0.397 4.867 4.470 -0.001 0.000 0.286 400 S C -0.829 173.874 174.600 0.172 0.000 1.098 400 S CA -1.036 57.249 58.200 0.142 0.000 0.930 400 S CB 1.620 64.979 63.200 0.264 0.000 1.070 400 S HN 0.440 nan 8.310 nan 0.000 0.480 401 Q N 1.870 121.804 119.800 0.223 0.000 2.288 401 Q HA 0.393 4.732 4.340 -0.001 0.000 0.258 401 Q C -0.958 175.148 176.000 0.178 0.000 0.957 401 Q CA -0.173 55.757 55.803 0.211 0.000 0.919 401 Q CB 0.510 29.437 28.738 0.315 0.000 1.185 401 Q HN 0.720 nan 8.270 nan 0.000 0.408 402 M N 4.483 124.166 119.600 0.139 0.000 2.209 402 M HA 0.330 4.810 4.480 -0.001 0.000 0.355 402 M C -1.220 175.146 176.300 0.111 0.000 1.171 402 M CA -0.716 54.650 55.300 0.111 0.000 1.069 402 M CB 0.951 33.599 32.600 0.081 0.000 1.622 402 M HN 0.450 nan 8.290 nan 0.000 0.459 403 L N 2.845 124.132 121.223 0.107 0.000 2.362 403 L HA 0.592 4.931 4.340 -0.001 0.000 0.275 403 L C -0.137 176.786 176.870 0.088 0.000 0.998 403 L CA -0.336 54.573 54.840 0.116 0.000 0.820 403 L CB 1.703 43.854 42.059 0.154 0.000 1.270 403 L HN 0.598 nan 8.230 nan 0.000 0.415 404 R N -0.033 120.512 120.500 0.076 0.000 2.602 404 R HA 0.656 4.996 4.340 -0.001 0.000 0.237 404 R C -0.470 175.867 176.300 0.061 0.000 1.219 404 R CA -0.542 55.591 56.100 0.055 0.000 1.121 404 R CB 0.957 31.282 30.300 0.042 0.000 1.408 404 R HN 0.621 nan 8.270 nan 0.000 0.559 405 T N 0.627 115.205 114.554 0.040 0.000 2.817 405 T HA 0.339 4.688 4.350 -0.001 0.000 0.295 405 T C 0.809 175.538 174.700 0.048 0.000 0.958 405 T CA 0.983 63.106 62.100 0.038 0.000 1.157 405 T CB 0.634 69.510 68.868 0.012 0.000 0.898 405 T HN 0.772 nan 8.240 nan 0.000 0.536 406 G N 3.711 112.552 108.800 0.067 0.000 2.218 406 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.216 406 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.216 406 G C 0.210 175.160 174.900 0.084 0.000 0.994 406 G CA -0.678 44.464 45.100 0.069 0.000 0.637 406 G HN 0.600 nan 8.290 nan 0.000 0.505 407 N N 1.725 120.484 118.700 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 0.389 53.509 53.050 0.117 0.000 0.963 407 N CB 0.889 39.447 38.487 0.118 0.000 1.188 407 N HN 0.760 nan 8.380 nan 0.000 0.491 408 N N -0.675 118.134 118.700 0.182 0.000 2.934 408 N HA 0.385 5.124 4.740 -0.001 0.000 0.253 408 N C -1.878 173.806 175.510 0.290 0.000 1.466 408 N CA -0.561 52.635 53.050 0.243 0.000 0.858 408 N CB 1.296 39.911 38.487 0.213 0.000 1.459 408 N HN 0.366 nan 8.380 nan 0.000 0.532 409 F N 0.120 120.157 119.950 0.146 0.000 2.529 409 F HA 0.522 5.049 4.527 -0.001 0.000 0.320 409 F C -0.745 175.144 175.800 0.148 0.000 1.118 409 F CA -0.392 57.695 58.000 0.146 0.000 0.915 409 F CB 2.043 41.141 39.000 0.164 0.000 1.161 409 F HN 0.577 nan 8.300 nan 0.000 0.445 410 Q N 5.086 124.525 119.800 -0.601 0.000 2.377 410 Q HA 0.677 5.016 4.340 -0.001 0.000 0.271 410 Q C -2.048 173.716 176.000 -0.394 0.000 1.077 410 Q CA -0.643 54.953 55.803 -0.345 0.000 0.820 410 Q CB 2.132 30.750 28.738 -0.199 0.000 1.347 410 Q HN 0.691 nan 8.270 nan 0.000 0.444 411 F N 0.655 120.467 119.950 -0.229 0.000 2.669 411 F HA 0.581 5.108 4.527 -0.001 0.000 0.315 411 F C -1.597 174.202 175.800 -0.001 0.000 1.109 411 F CA -0.239 57.699 58.000 -0.103 0.000 1.028 411 F CB 1.492 40.533 39.000 0.068 0.000 1.287 411 F HN 0.505 nan 8.300 nan 0.000 0.452 412 S N 4.598 119.804 115.700 -0.823 0.000 2.536 412 S HA 0.608 5.077 4.470 -0.001 0.000 0.287 412 S C -2.044 172.080 174.600 -0.793 0.000 1.101 412 S CA -0.624 57.198 58.200 -0.630 0.000 0.950 412 S CB 1.990 64.985 63.200 -0.341 0.000 1.056 412 S HN 0.644 nan 8.310 nan 0.000 0.481 413 Y N 0.992 120.902 120.300 -0.650 0.000 2.524 413 Y HA 0.613 5.163 4.550 -0.001 0.000 0.347 413 Y C -1.105 174.554 175.900 -0.403 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 6.537 120.377 114.554 -1.191 0.000 2.815 414 T HA 0.409 4.759 4.350 -0.001 0.000 0.289 414 T C -0.820 173.203 174.700 -1.129 0.000 1.000 414 T CA -0.403 61.191 62.100 -0.843 0.000 0.958 414 T CB 0.094 68.674 68.868 -0.480 0.000 0.944 414 T HN 0.411 nan 8.240 nan 0.000 0.442 415 F N 2.592 122.147 119.950 -0.659 0.000 2.490 415 F HA 0.228 4.755 4.527 -0.001 0.000 0.336 415 F C 1.530 177.146 175.800 -0.306 0.000 1.178 415 F CA -0.459 57.314 58.000 -0.379 0.000 1.301 415 F CB 0.571 39.423 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 -0.002 0.000 2.359 416 E HA 0.229 4.579 4.350 -0.001 0.000 0.255 416 E C -1.314 175.262 176.600 -0.039 0.000 1.191 416 E CA -0.964 55.414 56.400 -0.037 0.000 0.952 416 E CB 0.378 30.079 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 -0.049 0.000 2.348 417 D HA 0.180 4.820 4.640 -0.001 0.000 0.259 417 D C -1.134 175.138 176.300 -0.046 0.000 1.296 417 D CA 0.200 54.163 54.000 -0.062 0.000 0.931 417 D CB 0.982 41.754 40.800 -0.047 0.000 1.067 417 D HN 0.218 nan 8.370 nan 0.000 0.503 418 V N 4.420 124.291 119.914 -0.072 0.000 2.577 418 V HA 0.445 4.564 4.120 -0.001 0.000 0.303 418 V C -2.453 173.634 176.094 -0.011 0.000 1.042 418 V CA -2.384 59.916 62.300 0.001 0.000 0.872 418 V CB 2.049 33.922 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 -0.523 176.870 177.300 0.155 0.000 1.186 419 P CA 0.332 63.480 63.100 0.080 0.000 0.767 419 P CB 0.102 31.856 31.700 0.090 0.000 0.820 420 F N 0.822 120.871 119.950 0.165 0.000 2.595 420 F HA 0.018 4.545 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 0.480 58.592 58.000 0.186 0.000 1.341 420 F CB -0.053 39.033 39.000 0.143 0.000 1.104 420 F HN 0.423 nan 8.300 nan 0.000 0.603 421 H N 0.887 120.028 119.070 0.119 0.000 2.679 421 H HA 0.199 4.755 4.556 -0.001 0.000 0.369 421 H C -0.370 174.962 175.328 0.006 0.000 1.178 421 H CA -0.438 55.523 56.048 -0.145 0.000 1.419 421 H CB 0.689 30.133 29.762 -0.531 0.000 1.458 421 H HN 0.470 nan 8.280 nan 0.000 0.605 422 S N 2.424 117.556 115.700 -0.946 0.000 2.416 422 S HA 0.084 4.554 4.470 -0.001 0.000 0.302 422 S C 0.123 174.417 174.600 -0.511 0.000 1.120 422 S CA -0.402 57.416 58.200 -0.637 0.000 1.067 422 S CB 0.305 62.966 63.200 -0.897 0.000 1.057 422 S HN 0.592 nan 8.310 nan 0.000 0.518 423 S N 2.958 118.669 115.700 0.019 0.000 2.602 423 S HA 0.257 4.727 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 -0.507 62.864 63.200 0.285 0.000 0.778 423 S HN 0.806 nan 8.310 nan 0.000 0.455 424 Y N -1.711 118.467 120.300 -0.203 0.000 2.638 424 Y HA 0.892 5.441 4.550 -0.001 0.000 0.339 424 Y C -0.814 174.879 175.900 -0.345 0.000 1.084 424 Y CA -1.887 56.021 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 1.078 123.744 122.820 -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 -0.890 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 1.797 120.844 119.070 -0.038 0.000 2.764 426 H HA 0.124 4.680 4.556 -0.001 0.000 0.341 426 H C 1.360 176.683 175.328 -0.008 0.000 1.072 426 H CA 0.998 57.046 56.048 -0.001 0.000 1.444 426 H CB 1.350 31.106 29.762 -0.010 0.000 1.458 426 H HN 0.783 nan 8.280 nan 0.000 0.572 427 S N 2.202 117.972 115.700 0.118 0.000 2.558 427 S HA 0.039 4.509 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 -0.088 58.157 58.200 0.076 0.000 0.912 427 S CB 0.489 63.729 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 -1.132 174.885 176.000 0.028 0.000 1.076 428 Q CA -0.803 55.026 55.803 0.042 0.000 0.872 428 Q CB 1.903 30.657 28.738 0.026 0.000 1.383 428 Q HN 0.264 nan 8.270 nan 0.000 0.478 429 S N -0.374 115.331 115.700 0.008 0.000 2.526 429 S HA 0.325 4.795 4.470 -0.001 0.000 0.293 429 S C 0.687 175.281 174.600 -0.009 0.000 1.092 429 S CA -0.565 57.634 58.200 -0.003 0.000 0.980 429 S CB 0.876 64.078 63.200 0.003 0.000 1.048 429 S HN 0.717 nan 8.310 nan 0.000 0.483 430 L N 2.302 123.516 121.223 -0.015 0.000 2.137 430 L HA -0.167 4.172 4.340 -0.001 0.000 0.213 430 L C 1.920 178.808 176.870 0.030 0.000 1.085 430 L CA 2.069 56.917 54.840 0.015 0.000 0.760 430 L CB -0.225 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 -1.632 118.771 120.400 0.005 0.000 2.355 431 D HA -0.081 4.559 4.640 -0.001 0.000 0.206 431 D C 0.881 177.174 176.300 -0.011 0.000 1.010 431 D CA 0.131 54.127 54.000 -0.008 0.000 0.875 431 D CB 0.031 40.816 40.800 -0.025 0.000 0.966 431 D HN 0.152 nan 8.370 nan 0.000 0.512 432 R N 1.171 121.669 120.500 -0.004 0.000 4.017 432 R HA 0.236 4.575 4.340 -0.001 0.000 0.272 432 R C 0.555 176.858 176.300 0.006 0.000 1.516 432 R CA -0.272 55.827 56.100 -0.003 0.000 1.519 432 R CB 0.446 30.746 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 0.348 177.229 176.870 0.017 0.000 1.064 433 L CA 0.851 55.705 54.840 0.023 0.000 0.873 433 L CB 0.140 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 -0.870 118.729 119.600 -0.001 0.000 2.116 434 M HA 0.269 4.748 4.480 -0.001 0.000 0.235 434 M C 0.418 176.714 176.300 -0.008 0.000 1.193 434 M CA -0.368 54.925 55.300 -0.011 0.000 0.959 434 M CB -0.807 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 0.765 119.458 118.700 -0.013 0.000 2.408 435 N HA 0.301 5.040 4.740 -0.001 0.000 0.257 435 N C -2.150 173.353 175.510 -0.012 0.000 1.064 435 N CA -1.704 51.341 53.050 -0.008 0.000 0.952 435 N CB 0.704 39.188 38.487 -0.005 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 0.814 178.110 177.300 -0.007 0.000 1.148 436 P CA 0.642 63.738 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 -2.124 119.096 121.223 -0.005 0.000 2.470 437 L HA 0.141 4.480 4.340 -0.001 0.000 0.219 437 L C 1.022 177.890 176.870 -0.003 0.000 1.071 437 L CA 0.685 55.523 54.840 -0.003 0.000 0.850 437 L CB -0.285 41.773 42.059 -0.001 0.000 1.040 437 L HN -0.126 nan 8.230 nan 0.000 0.475 438 I N -0.683 119.883 120.570 -0.006 0.000 2.607 438 I HA 0.308 4.478 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 1.291 39.292 38.000 0.001 0.000 1.323 438 I HN -0.062 nan 8.210 nan 0.000 0.461 439 D N 2.937 123.326 120.400 -0.019 0.000 2.253 439 D HA 0.370 5.010 4.640 -0.001 0.000 0.249 439 D C 0.189 176.450 176.300 -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 41.628 40.800 -0.036 0.000 1.176 439 D HN 0.351 nan 8.370 nan 0.000 0.437 440 Q N 0.131 119.860 119.800 -0.118 0.000 2.500 440 Q HA 0.165 4.505 4.340 -0.001 0.000 0.215 440 Q C 0.134 176.035 176.000 -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 29.042 28.738 -0.266 0.000 1.239 440 Q HN 0.692 nan 8.270 nan 0.000 0.578 441 Y N -2.016 118.250 120.300 -0.058 0.000 2.531 441 Y HA 0.433 4.982 4.550 -0.001 0.000 0.249 441 Y C -0.183 175.708 175.900 -0.014 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 0.983 122.161 121.223 -0.076 0.000 2.360 442 L HA 0.429 4.769 4.340 -0.001 0.000 0.271 442 L C -1.087 175.753 176.870 -0.050 0.000 1.057 442 L CA -1.041 53.828 54.840 0.049 0.000 0.803 442 L CB 1.084 43.122 42.059 -0.036 0.000 1.207 442 L HN 0.085 nan 8.230 nan 0.000 0.445 443 Y N 0.402 120.744 120.300 0.070 0.000 2.468 443 Y HA 0.469 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 -0.618 57.514 58.100 0.054 0.000 1.079 443 Y CB 1.852 40.293 38.460 -0.032 0.000 1.226 443 Y HN 0.393 nan 8.280 nan 0.000 0.460 444 Y N 0.430 120.879 120.300 0.248 0.000 2.602 444 Y HA 0.727 5.277 4.550 -0.001 0.000 0.342 444 Y C -1.631 174.480 175.900 0.352 0.000 1.029 444 Y CA -1.868 56.372 58.100 0.232 0.000 1.080 444 Y CB 1.148 39.670 38.460 0.103 0.000 1.284 444 Y HN 0.545 nan 8.280 nan 0.000 0.485 445 L N 3.248 124.723 121.223 0.420 0.000 2.257 445 L HA 0.411 4.750 4.340 -0.001 0.000 0.290 445 L C -0.035 176.914 176.870 0.132 0.000 1.044 445 L CA -0.078 54.846 54.840 0.140 0.000 0.810 445 L CB 0.588 42.701 42.059 0.090 0.000 1.193 445 L HN 1.045 nan 8.230 nan 0.000 0.425 446 N N 2.574 121.277 118.700 0.005 0.000 2.210 446 N HA 0.164 4.903 4.740 -0.001 0.000 0.203 446 N C -0.384 175.123 175.510 -0.005 0.000 1.175 446 N CA -0.659 52.452 53.050 0.101 0.000 0.894 446 N CB 0.584 39.211 38.487 0.233 0.000 1.041 446 N HN 0.335 nan 8.380 nan 0.000 0.506 447 R N 1.052 121.491 120.500 -0.102 0.000 2.476 447 R HA 0.257 4.597 4.340 -0.001 0.000 0.305 447 R C 0.075 176.290 176.300 -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 -1.541 112.959 114.554 -0.091 0.000 3.042 448 T HA -0.063 4.286 4.350 -0.001 0.000 0.245 448 T C 1.302 175.962 174.700 -0.068 0.000 1.029 448 T CA 0.494 62.543 62.100 -0.086 0.000 1.120 448 T CB 0.359 69.196 68.868 -0.052 0.000 0.917 448 T HN 0.589 nan 8.240 nan 0.000 0.467 449 Q N 1.065 120.834 119.800 -0.052 0.000 2.577 449 Q HA 0.360 4.700 4.340 -0.001 0.000 0.242 449 Q C 1.511 177.488 176.000 -0.038 0.000 0.818 449 Q CA -0.013 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 4.231 3.960 -0.001 0.000 0.269 450 G HA3 0.272 4.231 3.960 -0.001 0.000 0.269 450 G C -0.420 174.461 174.900 -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 0.736 115.274 114.554 -0.026 0.000 2.551 451 T HA 0.332 4.682 4.350 -0.001 0.000 0.249 451 T C 0.671 175.360 174.700 -0.017 0.000 0.851 451 T CA -0.577 61.508 62.100 -0.025 0.000 1.149 451 T CB 0.607 69.459 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 4.471 4.350 -0.001 0.000 0.239 452 T C 0.622 175.315 174.700 -0.010 0.000 1.007 452 T CA 0.149 62.242 62.100 -0.011 0.000 1.171 452 T CB -0.650 68.213 68.868 -0.009 0.000 1.153 452 T HN 0.531 nan 8.240 nan 0.000 0.854 453 S N 2.616 118.310 115.700 -0.010 0.000 3.829 453 S HA 0.349 4.818 4.470 -0.001 0.000 0.250 453 S C 1.245 175.841 174.600 -0.007 0.000 1.263 453 S CA -0.158 58.036 58.200 -0.009 0.000 0.955 453 S CB -0.644 62.551 63.200 -0.010 0.000 1.611 453 S HN 0.812 nan 8.310 nan 0.000 0.483 454 G N 2.011 110.807 108.800 -0.007 0.000 2.449 454 G HA2 0.293 4.253 3.960 -0.001 0.000 0.192 454 G HA3 0.293 4.253 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 -0.120 44.976 45.100 -0.006 0.000 0.699 454 G HN 0.512 nan 8.290 nan 0.000 0.745 455 T N 1.581 116.132 114.554 -0.006 0.000 2.824 455 T HA 0.475 4.825 4.350 -0.001 0.000 0.280 455 T C 0.285 174.981 174.700 -0.006 0.000 0.995 455 T CA 0.556 62.653 62.100 -0.005 0.000 1.009 455 T CB 1.253 70.118 68.868 -0.004 0.000 0.955 455 T HN 0.509 nan 8.240 nan 0.000 0.452 456 T N 3.280 117.830 114.554 -0.006 0.000 3.935 456 T HA -0.173 4.176 4.350 -0.001 0.000 0.346 456 T C 0.160 174.856 174.700 -0.008 0.000 0.758 456 T CA 0.579 62.675 62.100 -0.006 0.000 1.874 456 T CB -1.236 67.629 68.868 -0.005 0.000 1.875 456 T HN 0.617 nan 8.240 nan 0.000 0.802 457 N N 1.678 120.373 118.700 -0.009 0.000 2.851 457 N HA 0.126 4.866 4.740 -0.001 0.000 0.248 457 N C 1.424 176.926 175.510 -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 0.279 120.072 119.800 -0.012 0.000 2.036 458 Q HA 0.042 4.381 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 0.844 56.639 55.803 -0.013 0.000 0.826 458 Q CB -0.073 28.658 28.738 -0.011 0.000 0.896 458 Q HN 0.337 nan 8.270 nan 0.000 0.449 459 S N -1.046 114.642 115.700 -0.020 0.000 2.596 459 S HA 0.786 5.256 4.470 -0.001 0.000 0.270 459 S C -1.019 173.562 174.600 -0.032 0.000 1.155 459 S CA -1.007 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 0.423 nan 8.310 nan 0.000 0.467 460 R N 0.214 120.685 120.500 -0.048 0.000 2.687 460 R HA 0.415 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 -0.769 55.296 56.100 -0.059 0.000 0.884 460 R CB 1.009 31.279 30.300 -0.050 0.000 1.258 460 R HN 0.781 nan 8.270 nan 0.000 0.469 461 L N 5.141 126.290 121.223 -0.123 0.000 2.259 461 L HA 0.451 4.791 4.340 -0.001 0.000 0.288 461 L C -0.676 175.944 176.870 -0.417 0.000 1.051 461 L CA -0.433 54.248 54.840 -0.265 0.000 0.824 461 L CB 0.851 42.818 42.059 -0.155 0.000 1.206 461 L HN 0.345 nan 8.230 nan 0.000 0.429 462 L N 3.669 124.562 121.223 -0.551 0.000 2.365 462 L HA 0.590 4.930 4.340 -0.001 0.000 0.273 462 L C -0.923 175.560 176.870 -0.646 0.000 1.000 462 L CA -0.459 54.117 54.840 -0.441 0.000 0.819 462 L CB 1.969 43.909 42.059 -0.199 0.000 1.284 462 L HN 0.304 nan 8.230 nan 0.000 0.418 463 F N 0.300 120.214 119.950 -0.060 0.000 2.520 463 F HA 0.518 5.045 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 -0.527 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 0.265 nan 8.300 nan 0.000 0.453 464 S N 1.563 117.155 115.700 -0.180 0.000 2.503 464 S HA 0.308 4.778 4.470 -0.001 0.000 0.301 464 S C -0.826 173.510 174.600 -0.439 0.000 1.087 464 S CA -0.802 57.228 58.200 -0.284 0.000 1.042 464 S CB 1.666 64.618 63.200 -0.413 0.000 1.043 464 S HN 0.658 nan 8.310 nan 0.000 0.489 465 Q N 2.382 121.963 119.800 -0.365 0.000 2.286 465 Q HA 0.530 4.869 4.340 -0.001 0.000 0.257 465 Q C -0.179 175.700 176.000 -0.201 0.000 0.941 465 Q CA -0.708 54.650 55.803 -0.741 0.000 0.912 465 Q CB 0.789 28.969 28.738 -0.931 0.000 1.192 465 Q HN 0.759 nan 8.270 nan 0.000 0.410 466 A N 3.164 125.960 122.820 -0.040 0.000 2.565 466 A HA 0.459 4.779 4.320 -0.001 0.000 0.237 466 A C 0.314 177.899 177.584 0.002 0.000 1.053 466 A CA 0.765 52.874 52.037 0.119 0.000 0.755 466 A CB 0.037 19.046 19.000 0.015 0.000 0.980 466 A HN 0.863 nan 8.150 nan 0.000 0.506 467 G N 1.155 109.973 108.800 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 -2.374 172.519 174.900 -0.011 0.000 1.341 467 G CA -1.168 43.932 45.100 -0.001 0.000 0.916 467 G HN 0.302 nan 8.290 nan 0.000 0.474 468 P HA -0.108 nan 4.420 nan 0.000 0.221 468 P C 1.578 178.870 177.300 -0.012 0.000 1.145 468 P CA 1.118 64.208 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 -0.250 119.549 119.800 -0.002 0.000 1.994 469 Q HA -0.044 4.296 4.340 -0.001 0.000 0.198 469 Q C 1.331 177.331 176.000 -0.001 0.000 0.976 469 Q CA 1.557 57.362 55.803 0.003 0.000 0.828 469 Q CB -0.772 27.975 28.738 0.015 0.000 0.894 469 Q HN 0.295 nan 8.270 nan 0.000 0.432 470 S N 0.338 116.044 115.700 0.009 0.000 3.864 470 S HA 0.130 4.599 4.470 -0.001 0.000 0.202 470 S C 0.993 175.544 174.600 -0.082 0.000 1.402 470 S CA -0.205 57.984 58.200 -0.019 0.000 1.072 470 S CB -0.176 63.051 63.200 0.046 0.000 1.383 470 S HN 0.246 nan 8.310 nan 0.000 0.458 471 M N 2.111 121.674 119.600 -0.062 0.000 2.319 471 M HA -0.061 4.418 4.480 -0.001 0.000 0.265 471 M C 1.637 177.883 176.300 -0.090 0.000 1.068 471 M CA 1.353 56.613 55.300 -0.067 0.000 1.118 471 M CB -0.041 32.533 32.600 -0.043 0.000 1.395 471 M HN 0.685 nan 8.290 nan 0.000 0.435 472 S N -1.140 114.499 115.700 -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 -0.543 57.591 58.200 -0.109 0.000 0.977 472 S CB -0.159 62.992 63.200 -0.081 0.000 0.814 472 S HN 0.545 nan 8.310 nan 0.000 0.464 473 L N -0.232 120.843 121.223 -0.247 0.000 2.840 473 L HA 0.314 4.654 4.340 -0.001 0.000 0.249 473 L C 0.634 177.219 176.870 -0.474 0.000 1.119 473 L CA -0.230 54.356 54.840 -0.422 0.000 0.930 473 L CB 0.095 41.748 42.059 -0.677 0.000 1.295 473 L HN 0.264 nan 8.230 nan 0.000 0.534 474 Q N 1.353 120.964 119.800 -0.315 0.000 2.428 474 Q HA 0.277 4.616 4.340 -0.001 0.000 0.276 474 Q C 0.509 176.411 176.000 -0.164 0.000 1.059 474 Q CA -0.093 55.580 55.803 -0.218 0.000 0.923 474 Q CB 0.836 29.486 28.738 -0.146 0.000 1.283 474 Q HN 0.274 nan 8.270 nan 0.000 0.447 475 A N 2.079 124.826 122.820 -0.122 0.000 2.531 475 A HA 0.154 4.474 4.320 -0.001 0.000 0.236 475 A C 0.037 177.546 177.584 -0.124 0.000 1.062 475 A CA 0.264 52.239 52.037 -0.103 0.000 0.760 475 A CB 0.282 19.228 19.000 -0.090 0.000 0.995 475 A HN 0.604 nan 8.150 nan 0.000 0.501 476 R N 0.323 120.749 120.500 -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 1.043 31.288 30.300 -0.092 0.000 1.185 476 R HN 0.732 nan 8.270 nan 0.000 0.484 477 N N -0.449 118.029 118.700 -0.370 0.000 2.332 477 N HA 0.174 4.914 4.740 -0.001 0.000 0.190 477 N C -0.967 173.994 175.510 -0.914 0.000 1.117 477 N CA 0.346 52.926 53.050 -0.783 0.000 0.883 477 N CB 0.473 38.269 38.487 -1.151 0.000 1.089 477 N HN 0.361 nan 8.380 nan 0.000 0.480 478 W N 0.166 121.468 121.300 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 56.540 57.345 0.019 0.000 1.148 478 W CB 0.832 30.296 29.460 0.007 0.000 1.451 478 W HN -0.354 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 -2.103 174.894 176.870 0.213 0.000 1.012 479 L CA -2.807 52.163 54.840 0.217 0.000 0.815 479 L CB 0.578 42.769 42.059 0.219 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 -0.069 177.378 177.300 0.245 0.000 1.266 480 P CA -0.344 62.851 63.100 0.158 0.000 0.793 480 P CB 0.442 32.178 31.700 0.060 0.000 1.074 481 G N 0.593 109.538 108.800 0.242 0.000 2.684 481 G HA2 0.301 4.260 3.960 -0.001 0.000 0.255 481 G HA3 0.301 4.260 3.960 -0.001 0.000 0.255 481 G C -2.297 172.651 174.900 0.079 0.000 1.219 481 G CA -0.931 44.274 45.100 0.175 0.000 0.901 481 G HN 0.363 nan 8.290 nan 0.000 0.548 482 P HA 0.261 nan 4.420 nan 0.000 0.274 482 P C -0.039 177.201 177.300 -0.099 0.000 1.260 482 P CA -0.112 62.866 63.100 -0.204 0.000 0.793 482 P CB 0.828 32.313 31.700 -0.358 0.000 1.048 483 C N -0.823 118.406 119.300 -0.118 0.000 3.239 483 C HA 0.693 5.153 4.460 -0.001 0.000 0.317 483 C C -1.677 173.347 174.990 0.056 0.000 1.310 483 C CA -0.732 58.288 59.018 0.004 0.000 1.371 483 C CB 0.695 28.501 27.740 0.111 0.000 1.714 483 C HN 0.617 nan 8.230 nan 0.000 0.473 484 Y N 1.927 122.197 120.300 -0.049 0.000 2.484 484 Y HA 0.484 5.033 4.550 -0.001 0.000 0.348 484 Y C 0.419 176.312 175.900 -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 3.693 124.105 120.500 -0.146 0.000 2.500 485 R HA -0.001 4.338 4.340 -0.001 0.000 0.281 485 R C -0.382 175.872 176.300 -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 2.157 121.938 119.800 -0.032 0.000 2.241 486 Q HA 0.134 4.474 4.340 -0.001 0.000 0.262 486 Q C -0.709 175.250 176.000 -0.068 0.000 1.014 486 Q CA -0.856 54.914 55.803 -0.055 0.000 0.885 486 Q CB 1.623 30.315 28.738 -0.076 0.000 1.311 486 Q HN 0.505 nan 8.270 nan 0.000 0.461 487 Q N 1.136 120.891 119.800 -0.074 0.000 2.340 487 Q HA 0.152 4.492 4.340 -0.001 0.000 0.249 487 Q C -0.817 175.149 176.000 -0.058 0.000 0.957 487 Q CA 0.158 55.943 55.803 -0.031 0.000 0.882 487 Q CB 0.765 29.542 28.738 0.065 0.000 1.235 487 Q HN 0.381 nan 8.270 nan 0.000 0.439 488 R N 3.001 123.475 120.500 -0.043 0.000 2.308 488 R HA 0.445 4.785 4.340 -0.001 0.000 0.305 488 R C -1.186 175.097 176.300 -0.029 0.000 1.053 488 R CA -0.447 55.618 56.100 -0.058 0.000 0.957 488 R CB 0.356 30.599 30.300 -0.095 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 4.773 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 -0.182 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 1.111 121.516 120.400 0.007 0.000 2.296 491 K HA 0.032 4.351 4.320 -0.001 0.000 0.200 491 K C 0.194 176.802 176.600 0.012 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 0.033 0.000 0.754 491 K HN 0.541 nan 8.250 nan 0.000 0.466 492 T N 1.751 116.276 114.554 -0.048 0.000 2.727 492 T HA 0.215 4.565 4.350 -0.001 0.000 0.295 492 T C 0.495 175.195 174.700 -0.000 0.000 0.915 492 T CA -0.366 61.714 62.100 -0.033 0.000 1.066 492 T CB 1.297 70.129 68.868 -0.060 0.000 0.891 492 T HN 0.118 nan 8.240 nan 0.000 0.516 493 A N 3.939 126.770 122.820 0.018 0.000 2.190 493 A HA 0.068 4.388 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 -0.086 51.974 52.037 0.037 0.000 1.288 493 A CB -0.801 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 -2.555 116.163 118.700 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 0.111 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 0.066 0.000 0.874 495 D CB 0.052 40.898 40.800 0.078 0.000 0.930 495 D HN 0.251 nan 8.370 nan 0.000 0.521 496 N N 1.058 119.810 118.700 0.087 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 0.443 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 0.753 119.451 118.700 -0.003 0.000 2.492 497 N HA -0.099 4.641 4.740 -0.001 0.000 0.262 497 N C -0.165 175.365 175.510 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 38.470 38.487 -0.261 0.000 1.078 497 N HN 0.472 nan 8.380 nan 0.000 0.454 498 N N 1.638 120.353 118.700 0.024 0.000 3.210 498 N HA -0.023 4.716 4.740 -0.001 0.000 0.314 498 N C -0.845 174.706 175.510 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 38.476 38.487 0.032 0.000 1.475 498 N HN 0.475 nan 8.380 nan 0.000 0.554 499 S N 0.033 115.808 115.700 0.124 0.000 2.661 499 S HA 0.294 4.764 4.470 -0.001 0.000 0.285 499 S C -0.772 174.023 174.600 0.324 0.000 1.138 499 S CA -1.076 57.222 58.200 0.164 0.000 0.855 499 S CB 1.604 64.860 63.200 0.093 0.000 1.136 499 S HN 0.240 nan 8.310 nan 0.000 0.484 500 N N 0.743 119.598 118.700 0.259 0.000 2.699 500 N HA 0.420 5.159 4.740 -0.001 0.000 0.232 500 N C -0.600 175.064 175.510 0.258 0.000 1.027 500 N CA -1.036 52.141 53.050 0.212 0.000 0.920 500 N CB -0.288 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 1.156 121.148 119.950 0.069 0.000 2.791 501 F HA 0.573 5.100 4.527 -0.001 0.000 0.308 501 F C -1.841 174.022 175.800 0.105 0.000 1.138 501 F CA -1.608 56.438 58.000 0.077 0.000 1.294 501 F CB 0.665 39.688 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 0.777 178.184 177.300 0.178 0.000 1.197 502 P CA 1.107 64.160 63.100 -0.078 0.000 0.765 502 P CB -0.053 31.613 31.700 -0.056 0.000 0.936 503 W N -0.286 121.020 121.300 0.009 0.000 3.792 503 W HA 0.021 4.680 4.660 -0.001 0.000 0.217 503 W C 0.910 177.464 176.519 0.057 0.000 1.098 503 W CA 0.845 58.205 57.345 0.025 0.000 1.657 503 W CB -0.118 29.341 29.460 -0.000 0.000 0.773 503 W HN -0.099 nan 8.180 nan 0.000 0.836 504 T N -0.478 114.136 114.554 0.099 0.000 3.055 504 T HA 0.223 4.572 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 1.131 63.228 62.100 -0.005 0.000 1.118 504 T CB 0.041 68.985 68.868 0.126 0.000 0.909 504 T HN 0.088 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 -0.009 122.846 122.820 0.060 0.000 2.279 506 A HA 0.671 4.990 4.320 -0.001 0.000 0.303 506 A C 0.375 177.996 177.584 0.061 0.000 1.108 506 A CA -0.245 51.856 52.037 0.106 0.000 0.830 506 A CB 0.382 19.526 19.000 0.241 0.000 1.106 506 A HN 0.238 nan 8.150 nan 0.000 0.493 507 S N 0.791 116.582 115.700 0.152 0.000 2.549 507 S HA 0.453 4.922 4.470 -0.001 0.000 0.279 507 S C 0.006 174.736 174.600 0.216 0.000 1.321 507 S CA -0.220 58.099 58.200 0.198 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 1.142 121.647 120.400 0.175 0.000 2.571 508 K HA 0.580 4.900 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 1.159 33.526 32.500 -0.222 0.000 1.534 508 K HN 0.582 nan 8.250 nan 0.000 0.421 509 Y N -1.675 118.650 120.300 0.041 0.000 2.638 509 Y HA 0.620 5.170 4.550 -0.001 0.000 0.339 509 Y C -1.096 174.878 175.900 0.123 0.000 1.084 509 Y CA -1.062 57.073 58.100 0.059 0.000 1.068 509 Y CB 1.640 40.084 38.460 -0.028 0.000 1.294 509 Y HN 0.749 nan 8.280 nan 0.000 0.480 510 H N 1.948 121.171 119.070 0.256 0.000 2.877 510 H HA 0.549 5.105 4.556 -0.001 0.000 0.347 510 H C -2.366 173.100 175.328 0.229 0.000 1.042 510 H CA -1.049 55.091 56.048 0.153 0.000 1.276 510 H CB 1.573 31.378 29.762 0.073 0.000 1.681 510 H HN 0.880 nan 8.280 nan 0.000 0.521 511 L N 4.172 125.480 121.223 0.141 0.000 2.305 511 L HA 0.184 4.523 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 -0.645 54.234 54.840 0.065 0.000 0.819 511 L CB 1.072 43.230 42.059 0.164 0.000 1.227 511 L HN 0.866 nan 8.230 nan 0.000 0.417 512 N N 3.172 121.921 118.700 0.083 0.000 2.758 512 N HA -0.174 4.565 4.740 -0.001 0.000 0.248 512 N C 0.640 176.267 175.510 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 0.104 0.000 0.979 512 N HN 1.059 nan 8.380 nan 0.000 0.550 513 G N 0.003 109.016 108.800 0.354 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 -0.106 174.929 174.900 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 0.399 121.066 120.500 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 55.384 56.100 0.198 0.000 0.917 514 R CB 0.792 31.194 30.300 0.169 0.000 1.173 514 R HN 0.133 nan 8.270 nan 0.000 0.472 515 D N 1.971 122.475 120.400 0.173 0.000 2.417 515 D HA 0.097 4.736 4.640 -0.001 0.000 0.250 515 D C -0.607 175.726 176.300 0.054 0.000 1.166 515 D CA 0.806 54.873 54.000 0.112 0.000 0.881 515 D CB 1.545 42.435 40.800 0.152 0.000 1.164 515 D HN 0.334 nan 8.370 nan 0.000 0.467 516 S N 1.632 117.155 115.700 -0.295 0.000 2.521 516 S HA 0.301 4.771 4.470 -0.001 0.000 0.295 516 S C -0.377 173.953 174.600 -0.450 0.000 1.098 516 S CA -0.763 57.189 58.200 -0.412 0.000 0.999 516 S CB 1.813 64.574 63.200 -0.731 0.000 1.034 516 S HN 0.295 nan 8.310 nan 0.000 0.483 517 L N 4.050 125.182 121.223 -0.152 0.000 2.418 517 L HA 0.308 4.648 4.340 -0.001 0.000 0.274 517 L C -0.242 176.572 176.870 -0.094 0.000 1.135 517 L CA 0.177 54.940 54.840 -0.127 0.000 0.870 517 L CB 0.531 42.535 42.059 -0.091 0.000 1.154 517 L HN 0.505 nan 8.230 nan 0.000 0.462 518 V N 6.865 126.792 119.914 0.022 0.000 2.070 518 V HA -0.003 4.117 4.120 -0.001 0.000 0.239 518 V C 1.368 177.556 176.094 0.156 0.000 1.472 518 V CA 0.120 62.516 62.300 0.159 0.000 1.453 518 V CB -0.958 30.982 31.823 0.195 0.000 1.503 518 V HN 0.914 nan 8.190 nan 0.000 0.501 519 N N 5.277 123.990 118.700 0.021 0.000 2.030 519 N HA -0.027 4.713 4.740 -0.001 0.000 0.194 519 N C -1.898 173.768 175.510 0.259 0.000 1.074 519 N CA 1.076 54.151 53.050 0.041 0.000 0.860 519 N CB -0.433 38.026 38.487 -0.046 0.000 1.055 519 N HN 0.357 nan 8.380 nan 0.000 0.429 520 P HA 0.278 nan 4.420 nan 0.000 0.291 520 P C -0.456 176.921 177.300 0.127 0.000 1.340 520 P CA -0.348 62.840 63.100 0.148 0.000 0.799 520 P CB 1.221 32.987 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 0.417 4.377 3.960 -0.001 0.000 0.269 521 G HA3 0.417 4.377 3.960 -0.001 0.000 0.269 521 G C -2.418 172.518 174.900 0.061 0.000 1.416 521 G CA -1.672 43.479 45.100 0.085 0.000 1.052 521 G HN 0.243 nan 8.290 nan 0.000 0.542 522 P HA 0.214 nan 4.420 nan 0.000 0.269 522 P C -0.152 177.171 177.300 0.039 0.000 1.205 522 P CA 0.162 63.259 63.100 -0.004 0.000 0.780 522 P CB 0.320 31.984 31.700 -0.061 0.000 0.858 523 A N 3.465 126.312 122.820 0.045 0.000 2.496 523 A HA 0.308 4.628 4.320 -0.001 0.000 0.278 523 A C 0.112 177.740 177.584 0.074 0.000 1.137 523 A CA 0.507 52.597 52.037 0.088 0.000 0.805 523 A CB -1.035 18.045 19.000 0.134 0.000 1.077 523 A HN 0.427 nan 8.150 nan 0.000 0.513 524 M N 2.247 121.896 119.600 0.081 0.000 2.518 524 M HA 0.555 5.035 4.480 -0.001 0.000 0.300 524 M C 0.268 176.610 176.300 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 34.940 32.600 0.074 0.000 1.710 524 M HN 0.678 nan 8.290 nan 0.000 0.453 525 A N 1.103 123.951 122.820 0.047 0.000 2.445 525 A HA 0.330 4.649 4.320 -0.001 0.000 0.242 525 A C 0.769 178.373 177.584 0.033 0.000 1.075 525 A CA -0.173 51.875 52.037 0.018 0.000 0.777 525 A CB 0.220 19.205 19.000 -0.026 0.000 1.013 525 A HN 0.935 nan 8.150 nan 0.000 0.493 526 S N 0.454 116.175 115.700 0.035 0.000 2.395 526 S HA 0.040 4.510 4.470 -0.001 0.000 0.225 526 S C 0.678 175.401 174.600 0.205 0.000 1.027 526 S CA 1.278 59.564 58.200 0.143 0.000 0.965 526 S CB -0.260 63.084 63.200 0.240 0.000 0.812 526 S HN 0.951 nan 8.310 nan 0.000 0.482 527 H N 0.252 119.386 119.070 0.107 0.000 3.037 527 H HA 0.499 5.055 4.556 -0.001 0.000 0.355 527 H C -1.212 174.161 175.328 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 30.828 29.762 0.156 0.000 1.861 527 H HN 0.087 nan 8.280 nan 0.000 0.546 528 K N 0.768 121.265 120.400 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 -0.775 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 1.270 121.730 120.400 0.100 0.000 2.449 529 D HA -0.017 4.623 4.640 -0.001 0.000 0.236 529 D C -0.424 175.953 176.300 0.128 0.000 1.149 529 D CA 0.938 55.004 54.000 0.111 0.000 0.878 529 D CB 0.071 40.908 40.800 0.061 0.000 1.198 529 D HN 0.567 nan 8.370 nan 0.000 0.446 530 D N 1.469 121.944 120.400 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 0.920 54.978 54.000 0.097 0.000 0.668 530 D CB -0.445 40.397 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 -0.085 56.384 56.400 0.115 0.000 1.240 531 E CB 0.406 30.257 29.700 0.252 0.000 2.780 531 E HN 0.049 nan 8.360 nan 0.000 0.573 532 E N 0.758 120.714 120.200 -0.406 0.000 3.916 532 E HA -0.264 4.085 4.350 -0.001 0.000 0.331 532 E C 0.770 177.153 176.600 -0.361 0.000 0.729 532 E CA 1.787 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 -0.981 119.285 120.400 -0.223 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 56.261 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 3.006 122.967 119.950 0.019 0.000 2.404 534 F HA 0.313 4.840 4.527 -0.001 0.000 0.358 534 F C -0.171 175.705 175.800 0.126 0.000 1.120 534 F CA -1.337 56.686 58.000 0.039 0.000 1.144 534 F CB 0.672 39.678 39.000 0.010 0.000 1.133 534 F HN -0.000 nan 8.300 nan 0.000 0.495 535 F N 3.252 123.310 119.950 0.180 0.000 2.508 535 F HA 0.800 5.327 4.527 -0.001 0.000 0.325 535 F C -3.116 172.751 175.800 0.113 0.000 1.090 535 F CA -3.845 54.238 58.000 0.137 0.000 0.945 535 F CB 0.770 39.816 39.000 0.075 0.000 1.156 535 F HN 0.114 nan 8.300 nan 0.000 0.463 536 P HA 0.057 nan 4.420 nan 0.000 0.268 536 P C -0.268 176.990 177.300 -0.069 0.000 1.204 536 P CA -0.210 62.886 63.100 -0.007 0.000 0.768 536 P CB 0.637 32.371 31.700 0.058 0.000 0.842 537 M N 5.649 125.114 119.600 -0.224 0.000 2.734 537 M HA -0.072 4.408 4.480 -0.001 0.000 0.356 537 M C 1.083 177.095 176.300 -0.480 0.000 1.790 537 M CA 0.812 55.958 55.300 -0.257 0.000 1.231 537 M CB -1.406 31.038 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 0.508 175.914 175.328 0.130 0.000 1.142 538 H CA 0.585 56.722 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 0.920 109.756 108.800 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 0.408 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 -1.204 117.588 118.700 0.153 0.000 3.046 540 N HA 0.243 4.983 4.740 -0.001 0.000 0.243 540 N C -1.614 173.915 175.510 0.031 0.000 1.452 540 N CA -0.872 52.245 53.050 0.110 0.000 0.882 540 N CB 0.942 39.498 38.487 0.116 0.000 1.425 540 N HN -0.189 nan 8.380 nan 0.000 0.517 541 L N 0.397 121.598 121.223 -0.037 0.000 2.371 541 L HA 0.520 4.860 4.340 -0.001 0.000 0.272 541 L C 0.018 176.648 176.870 -0.401 0.000 1.124 541 L CA -0.041 54.667 54.840 -0.220 0.000 0.816 541 L CB 0.316 42.229 42.059 -0.244 0.000 1.129 541 L HN 0.515 nan 8.230 nan 0.000 0.448 542 I N 2.795 123.066 120.570 -0.498 0.000 2.499 542 I HA 0.357 4.527 4.170 -0.001 0.000 0.288 542 I C -0.997 174.808 176.117 -0.520 0.000 1.048 542 I CA -0.385 60.659 61.300 -0.425 0.000 1.062 542 I CB 1.473 39.337 38.000 -0.227 0.000 1.238 542 I HN 0.295 nan 8.210 nan 0.000 0.426 543 F N 2.920 122.822 119.950 -0.079 0.000 2.443 543 F HA 0.617 5.144 4.527 -0.001 0.000 0.335 543 F C 0.994 176.759 175.800 -0.058 0.000 1.104 543 F CA -0.736 57.232 58.000 -0.053 0.000 1.013 543 F CB 1.848 40.819 39.000 -0.048 0.000 1.136 543 F HN 0.409 nan 8.300 nan 0.000 0.470 544 G N 2.756 111.641 108.800 0.141 0.000 2.353 544 G HA2 0.341 4.301 3.960 -0.001 0.000 0.284 544 G HA3 0.341 4.301 3.960 -0.001 0.000 0.284 544 G C -0.501 174.420 174.900 0.036 0.000 1.172 544 G CA -0.715 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 0.698 121.095 120.400 -0.004 0.000 2.285 545 K HA 0.031 4.351 4.320 -0.001 0.000 0.255 545 K C 0.307 176.883 176.600 -0.040 0.000 1.000 545 K CA -0.076 56.187 56.287 -0.040 0.000 0.887 545 K CB 0.548 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 0.534 120.693 120.200 -0.069 0.000 2.351 546 E HA 0.099 4.449 4.350 -0.001 0.000 0.266 546 E C -0.296 176.278 176.600 -0.043 0.000 1.031 546 E CA 0.975 57.340 56.400 -0.059 0.000 0.911 546 E CB 0.117 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 3.685 112.471 108.800 -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 -0.410 174.478 174.900 -0.020 0.000 0.989 547 G CA 0.094 45.183 45.100 -0.019 0.000 1.252 547 G HN 0.629 nan 8.290 nan 0.000 0.483 548 T N 1.408 115.954 114.554 -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 62.002 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 0.795 nan 8.240 nan 0.000 0.469 549 T N 2.508 117.056 114.554 -0.011 0.000 2.939 549 T HA 0.168 4.518 4.350 -0.001 0.000 0.312 549 T C 1.629 176.323 174.700 -0.010 0.000 1.064 549 T CA 0.278 62.372 62.100 -0.010 0.000 1.136 549 T CB 0.475 69.336 68.868 -0.012 0.000 1.035 549 T HN 0.768 nan 8.240 nan 0.000 0.538 550 A N 2.514 125.329 122.820 -0.008 0.000 2.206 550 A HA 0.220 4.540 4.320 -0.001 0.000 0.211 550 A C 1.425 178.998 177.584 -0.018 0.000 1.158 550 A CA 0.259 52.290 52.037 -0.011 0.000 0.761 550 A CB 0.163 19.159 19.000 -0.007 0.000 0.801 550 A HN 0.608 nan 8.150 nan 0.000 0.473 551 S N 0.144 115.834 115.700 -0.018 0.000 2.530 551 S HA 0.417 4.887 4.470 -0.001 0.000 0.322 551 S C -0.461 174.127 174.600 -0.020 0.000 1.085 551 S CA -0.702 57.484 58.200 -0.022 0.000 1.096 551 S CB -0.303 62.884 63.200 -0.022 0.000 0.988 551 S HN 0.539 nan 8.310 nan 0.000 0.466 552 N N 2.265 120.952 118.700 -0.022 0.000 2.620 552 N HA -0.202 4.537 4.740 -0.001 0.000 0.293 552 N C -0.499 175.001 175.510 -0.017 0.000 1.178 552 N CA 0.661 53.700 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 1.213 124.022 122.820 -0.018 0.000 2.306 553 A HA 0.577 4.897 4.320 -0.001 0.000 0.330 553 A C 0.322 177.894 177.584 -0.020 0.000 1.146 553 A CA -0.547 51.479 52.037 -0.019 0.000 0.827 553 A CB 1.026 20.014 19.000 -0.021 0.000 1.178 553 A HN 0.497 nan 8.150 nan 0.000 0.490 554 E N 0.123 120.311 120.200 -0.020 0.000 2.408 554 E HA 0.180 4.530 4.350 -0.001 0.000 0.259 554 E C 0.883 177.466 176.600 -0.029 0.000 1.110 554 E CA -0.173 56.215 56.400 -0.020 0.000 0.929 554 E CB 0.574 30.262 29.700 -0.019 0.000 0.971 554 E HN 0.553 nan 8.360 nan 0.000 0.438 555 L N 2.436 123.642 121.223 -0.027 0.000 2.265 555 L HA -0.105 4.234 4.340 -0.001 0.000 0.215 555 L C 0.761 177.599 176.870 -0.053 0.000 1.117 555 L CA 1.798 56.612 54.840 -0.044 0.000 0.782 555 L CB -0.091 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 -0.708 119.667 120.400 -0.041 0.000 2.349 556 D HA -0.038 4.602 4.640 -0.001 0.000 0.224 556 D C 0.920 177.193 176.300 -0.045 0.000 1.029 556 D CA 0.327 54.301 54.000 -0.043 0.000 0.879 556 D CB -0.007 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 0.240 175.725 175.510 -0.041 0.000 1.128 557 N CA 0.068 53.093 53.050 -0.041 0.000 0.867 557 N CB 1.606 40.073 38.487 -0.033 0.000 0.996 557 N HN 0.098 nan 8.380 nan 0.000 0.503 558 V N -2.119 117.764 119.914 -0.051 0.000 3.113 558 V HA 0.661 4.780 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 2.446 34.226 31.823 -0.072 0.000 1.080 558 V HN -0.185 nan 8.190 nan 0.000 0.444 559 M N 2.839 122.419 119.600 -0.033 0.000 2.085 559 M HA 0.585 5.065 4.480 -0.001 0.000 0.309 559 M C -1.019 175.247 176.300 -0.056 0.000 0.947 559 M CA -0.134 55.153 55.300 -0.022 0.000 0.918 559 M CB 1.676 34.302 32.600 0.043 0.000 1.504 559 M HN 0.554 nan 8.290 nan 0.000 0.420 560 I N 2.351 122.848 120.570 -0.122 0.000 2.428 560 I HA 0.370 4.540 4.170 -0.001 0.000 0.296 560 I C 0.587 176.641 176.117 -0.105 0.000 0.985 560 I CA -0.680 60.512 61.300 -0.179 0.000 1.260 560 I CB 1.798 39.599 38.000 -0.333 0.000 1.389 560 I HN 0.604 nan 8.210 nan 0.000 0.484 561 T N 0.294 114.781 114.554 -0.111 0.000 2.767 561 T HA 0.308 4.657 4.350 -0.001 0.000 0.288 561 T C -0.554 174.181 174.700 0.059 0.000 0.963 561 T CA -0.848 61.202 62.100 -0.085 0.000 1.019 561 T CB 1.465 70.165 68.868 -0.281 0.000 0.923 561 T HN 0.372 nan 8.240 nan 0.000 0.468 562 D N 2.168 122.647 120.400 0.132 0.000 2.274 562 D HA 0.204 4.843 4.640 -0.001 0.000 0.239 562 D C -0.086 176.339 176.300 0.207 0.000 1.104 562 D CA -0.421 53.698 54.000 0.198 0.000 0.840 562 D CB 0.931 41.869 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 0.173 0.000 2.360 563 E HA 0.062 4.411 4.350 -0.001 0.000 0.253 563 E C 0.072 176.690 176.600 0.031 0.000 1.189 563 E CA -0.045 56.434 56.400 0.132 0.000 1.252 563 E CB 0.327 30.111 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 0.303 176.871 176.600 -0.054 0.000 1.016 564 E CA 0.036 56.377 56.400 -0.097 0.000 0.921 564 E CB 0.297 29.904 29.700 -0.156 0.000 1.034 564 E HN -0.001 nan 8.360 nan 0.000 0.468 565 E N 1.086 121.266 120.200 -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 -0.045 0.000 0.996 565 E CA 0.416 56.785 56.400 -0.052 0.000 0.869 565 E CB 0.112 29.762 29.700 -0.082 0.000 0.835 565 E HN 0.533 nan 8.360 nan 0.000 0.493 566 I N -1.889 118.667 120.570 -0.024 0.000 3.855 566 I HA 0.249 4.418 4.170 -0.001 0.000 0.327 566 I C 1.036 177.165 176.117 0.019 0.000 1.359 566 I CA -0.125 61.179 61.300 0.006 0.000 1.142 566 I CB 0.113 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 1.492 121.988 120.500 -0.006 0.000 2.249 567 R HA -0.093 4.246 4.340 -0.001 0.000 0.230 567 R C 1.997 178.300 176.300 0.005 0.000 1.121 567 R CA 1.912 58.004 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 -3.816 110.752 114.554 0.024 0.000 3.057 568 T HA 0.017 4.367 4.350 -0.001 0.000 0.254 568 T C 1.681 176.387 174.700 0.009 0.000 1.094 568 T CA 0.941 63.053 62.100 0.020 0.000 1.088 568 T CB 0.377 69.270 68.868 0.042 0.000 0.934 568 T HN 0.267 nan 8.240 nan 0.000 0.497 569 T N -1.595 112.980 114.554 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 -0.475 61.653 62.100 0.047 0.000 0.959 569 T CB -0.251 68.651 68.868 0.057 0.000 1.141 569 T HN 0.339 nan 8.240 nan 0.000 0.494 570 N N 2.180 120.929 118.700 0.082 0.000 2.319 570 N HA 0.608 5.348 4.740 -0.001 0.000 0.305 570 N C -3.104 172.439 175.510 0.054 0.000 1.103 570 N CA -1.898 51.207 53.050 0.092 0.000 0.815 570 N CB 1.782 40.328 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 -0.698 176.626 177.300 0.040 0.000 1.230 571 P CA -0.385 62.740 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 1.389 121.313 119.914 0.018 0.000 2.614 572 V HA 0.184 4.303 4.120 -0.001 0.000 0.291 572 V C 1.637 177.751 176.094 0.034 0.000 1.049 572 V CA 0.438 62.750 62.300 0.019 0.000 1.038 572 V CB 0.234 32.059 31.823 0.004 0.000 0.980 572 V HN 0.710 nan 8.190 nan 0.000 0.481 573 A N 3.799 126.645 122.820 0.043 0.000 1.902 573 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 573 A C 2.222 179.816 177.584 0.016 0.000 1.181 573 A CA 2.324 54.388 52.037 0.044 0.000 0.623 573 A CB -0.711 18.324 19.000 0.058 0.000 0.818 573 A HN 1.007 nan 8.150 nan 0.000 0.443 574 T N -2.561 111.996 114.554 0.005 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 0.432 62.514 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 2.391 122.572 120.200 -0.031 0.000 2.376 575 E HA 0.211 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 -0.321 56.056 56.400 -0.038 0.000 0.945 575 E CB 0.476 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 -0.333 119.455 119.800 -0.020 0.000 2.700 576 Q HA -0.013 4.327 4.340 -0.001 0.000 0.191 576 Q C 0.657 176.692 176.000 0.059 0.000 1.134 576 Q CA 0.041 55.850 55.803 0.010 0.000 1.193 576 Q CB 0.164 28.899 28.738 -0.004 0.000 1.250 576 Q HN 0.621 nan 8.270 nan 0.000 0.670 577 Y N -1.289 118.986 120.300 -0.041 0.000 2.351 577 Y HA 0.411 4.961 4.550 -0.001 0.000 0.291 577 Y C 0.634 176.519 175.900 -0.024 0.000 1.153 577 Y CA 1.152 59.234 58.100 -0.030 0.000 1.193 577 Y CB 0.832 39.273 38.460 -0.032 0.000 1.187 577 Y HN 0.802 nan 8.280 nan 0.000 0.524 578 G N -1.192 107.637 108.800 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 -1.457 173.464 174.900 0.035 0.000 1.223 578 G CA -0.365 44.710 45.100 -0.041 0.000 0.871 578 G HN -0.066 nan 8.290 nan 0.000 0.492 579 T N 0.174 114.744 114.554 0.027 0.000 2.879 579 T HA 0.613 4.963 4.350 -0.001 0.000 0.290 579 T C -0.854 173.866 174.700 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 0.617 nan 8.240 nan 0.000 0.439 580 V N 2.163 122.096 119.914 0.031 0.000 2.680 580 V HA 0.852 4.971 4.120 -0.001 0.000 0.309 580 V C 0.347 176.450 176.094 0.016 0.000 1.052 580 V CA -1.203 61.114 62.300 0.028 0.000 0.908 580 V CB 1.730 33.570 31.823 0.028 0.000 1.001 580 V HN 1.063 nan 8.190 nan 0.000 0.431 581 A N 3.157 125.986 122.820 0.015 0.000 2.322 581 A HA 0.678 4.997 4.320 -0.001 0.000 0.269 581 A C 0.422 178.012 177.584 0.008 0.000 1.094 581 A CA -0.381 51.663 52.037 0.011 0.000 0.807 581 A CB 0.181 19.189 19.000 0.013 0.000 1.047 581 A HN 1.061 nan 8.150 nan 0.000 0.487 582 N N 1.133 119.836 118.700 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 0.202 4.942 4.740 -0.001 0.000 0.238 583 N C -1.729 173.784 175.510 0.006 0.000 1.466 583 N CA -0.583 52.469 53.050 0.004 0.000 0.882 583 N CB 0.720 39.208 38.487 0.002 0.000 1.406 583 N HN 0.047 nan 8.380 nan 0.000 0.500 584 L N 1.406 122.632 121.223 0.005 0.000 2.417 584 L HA 0.273 4.613 4.340 -0.001 0.000 0.258 584 L C 0.119 176.993 176.870 0.006 0.000 1.088 584 L CA -0.851 53.993 54.840 0.007 0.000 0.975 584 L CB 0.506 42.569 42.059 0.007 0.000 1.341 584 L HN 0.601 nan 8.230 nan 0.000 0.431 585 Q N 2.006 121.810 119.800 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 -0.002 55.803 55.803 0.004 0.000 0.918 585 Q CB 1.136 29.877 28.738 0.004 0.000 1.242 585 Q HN 0.558 nan 8.270 nan 0.000 0.405 586 S N 0.468 116.170 115.700 0.002 0.000 2.757 586 S HA 0.429 4.899 4.470 -0.001 0.000 0.285 586 S C 0.447 175.047 174.600 -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 0.859 nan 8.310 nan 0.000 0.516 587 S N 1.225 116.925 115.700 -0.001 0.000 2.399 587 S HA -0.091 4.378 4.470 -0.001 0.000 0.231 587 S C 1.254 175.852 174.600 -0.002 0.000 1.022 587 S CA 1.108 59.306 58.200 -0.002 0.000 0.983 587 S CB -0.874 62.325 63.200 -0.002 0.000 0.803 587 S HN 0.646 nan 8.310 nan 0.000 0.480 588 N N 1.536 120.235 118.700 -0.001 0.000 2.300 588 N HA 0.044 4.783 4.740 -0.001 0.000 0.179 588 N C -0.054 175.455 175.510 -0.002 0.000 1.016 588 N CA 0.926 53.975 53.050 -0.001 0.000 0.876 588 N CB -0.135 38.352 38.487 -0.001 0.000 0.979 588 N HN 0.424 nan 8.380 nan 0.000 0.432 589 T N 0.414 114.968 114.554 -0.001 0.000 2.807 589 T HA 0.616 4.966 4.350 -0.001 0.000 0.279 589 T C -0.344 174.355 174.700 -0.002 0.000 0.993 589 T CA -0.807 61.293 62.100 -0.001 0.000 0.970 589 T CB 2.418 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 4.939 127.758 122.820 -0.003 0.000 2.328 590 A HA 0.625 4.944 4.320 -0.001 0.000 0.284 590 A C -2.159 175.424 177.584 -0.002 0.000 1.160 590 A CA -1.663 50.372 52.037 -0.003 0.000 0.818 590 A CB -0.259 18.739 19.000 -0.004 0.000 1.087 590 A HN 0.578 nan 8.150 nan 0.000 0.504 591 P HA 0.078 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 0.276 31.976 31.700 0.001 0.000 0.785 592 T N 2.560 117.114 114.554 -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 61.875 62.100 -0.002 0.000 1.042 592 T CB 0.956 69.823 68.868 -0.003 0.000 0.973 592 T HN 0.234 nan 8.240 nan 0.000 0.465 593 T N 3.359 117.911 114.554 -0.004 0.000 2.824 593 T HA 0.528 4.877 4.350 -0.001 0.000 0.282 593 T C -0.466 174.231 174.700 -0.005 0.000 0.993 593 T CA -0.761 61.337 62.100 -0.003 0.000 0.967 593 T CB 1.114 69.979 68.868 -0.005 0.000 0.960 593 T HN 0.281 nan 8.240 nan 0.000 0.441 594 R N 2.287 122.786 120.500 -0.002 0.000 2.480 594 R HA 0.390 4.729 4.340 -0.001 0.000 0.306 594 R C -0.838 175.462 176.300 0.001 0.000 0.958 594 R CA -0.473 55.624 56.100 -0.004 0.000 0.861 594 R CB 1.459 31.757 30.300 -0.004 0.000 1.171 594 R HN 0.601 nan 8.270 nan 0.000 0.445 595 T N 3.375 117.926 114.554 -0.005 0.000 2.779 595 T HA 0.067 4.417 4.350 -0.001 0.000 0.296 595 T C -0.173 174.530 174.700 0.006 0.000 0.938 595 T CA -0.034 62.066 62.100 0.000 0.000 1.119 595 T CB 0.650 69.510 68.868 -0.012 0.000 0.891 595 T HN 0.351 nan 8.240 nan 0.000 0.526 596 V N 5.844 125.779 119.914 0.036 0.000 2.408 596 V HA 0.272 4.392 4.120 -0.001 0.000 0.267 596 V C 0.603 176.716 176.094 0.033 0.000 1.047 596 V CA -0.345 61.976 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 4.463 123.143 118.700 -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 -1.537 174.634 176.300 -0.216 0.000 1.277 598 D CA -0.352 53.543 54.000 -0.177 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 2.584 122.205 119.800 -0.298 0.000 2.309 599 Q HA 0.657 4.996 4.340 -0.001 0.000 0.270 599 Q C 0.095 175.917 176.000 -0.298 0.000 1.023 599 Q CA -0.710 54.834 55.803 -0.432 0.000 0.758 599 Q CB 1.675 29.801 28.738 -1.020 0.000 1.247 599 Q HN 0.529 nan 8.270 nan 0.000 0.455 600 G N 1.995 110.659 108.800 -0.226 0.000 2.441 600 G HA2 0.490 4.450 3.960 -0.001 0.000 0.258 600 G HA3 0.490 4.450 3.960 -0.001 0.000 0.258 600 G C -0.675 174.079 174.900 -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 -1.268 121.405 122.820 -0.245 0.000 2.306 601 A HA 0.746 5.066 4.320 -0.001 0.000 0.314 601 A C -0.606 176.948 177.584 -0.050 0.000 1.164 601 A CA -0.404 51.519 52.037 -0.189 0.000 0.822 601 A CB 0.788 19.594 19.000 -0.323 0.000 1.130 601 A HN 0.511 nan 8.150 nan 0.000 0.496 602 L N 2.099 123.350 121.223 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 -2.017 52.876 54.840 0.089 0.000 0.819 602 L CB 2.674 44.782 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 63.883 63.100 0.175 0.000 0.763 603 P CB 0.722 32.500 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 -0.204 3.755 3.960 -0.001 0.000 0.209 604 G HA3 -0.204 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 1.501 121.297 119.600 0.327 0.000 2.239 605 M HA 0.478 4.957 4.480 -0.001 0.000 0.348 605 M C 0.698 177.217 176.300 0.365 0.000 1.239 605 M CA 0.215 55.726 55.300 0.353 0.000 1.114 605 M CB 1.277 34.088 32.600 0.353 0.000 1.641 605 M HN 0.590 nan 8.290 nan 0.000 0.453 606 V N 1.203 121.298 119.914 0.302 0.000 2.962 606 V HA 0.949 5.069 4.120 -0.001 0.000 0.313 606 V C -1.533 174.742 176.094 0.302 0.000 1.099 606 V CA -0.653 61.710 62.300 0.106 0.000 0.971 606 V CB 1.861 33.582 31.823 -0.170 0.000 1.028 606 V HN 1.126 nan 8.190 nan 0.000 0.430 607 W N 1.503 122.763 121.300 -0.067 0.000 2.959 607 W HA 0.852 5.511 4.660 -0.001 0.000 0.358 607 W C -1.299 175.193 176.519 -0.045 0.000 1.228 607 W CA -0.761 56.556 57.345 -0.047 0.000 1.183 607 W CB 1.387 30.826 29.460 -0.036 0.000 1.467 607 W HN 0.784 nan 8.180 nan 0.000 0.578 608 Q N 1.169 121.091 119.800 0.203 0.000 2.297 608 Q HA 0.456 4.796 4.340 -0.001 0.000 0.269 608 Q C -1.084 175.037 176.000 0.202 0.000 1.051 608 Q CA -0.319 55.525 55.803 0.068 0.000 0.869 608 Q CB 1.724 30.467 28.738 0.009 0.000 1.346 608 Q HN 0.379 nan 8.270 nan 0.000 0.457 609 D N 0.126 120.584 120.400 0.096 0.000 2.440 609 D HA 0.365 5.005 4.640 -0.001 0.000 0.258 609 D C -0.462 175.907 176.300 0.114 0.000 1.092 609 D CA -0.513 53.587 54.000 0.168 0.000 1.016 609 D CB 0.850 41.757 40.800 0.178 0.000 1.141 609 D HN 0.349 nan 8.370 nan 0.000 0.552 610 R N 0.562 121.152 120.500 0.150 0.000 2.679 610 R HA 0.077 4.416 4.340 -0.001 0.000 0.268 610 R C -0.132 176.260 176.300 0.152 0.000 1.044 610 R CA 0.068 56.258 56.100 0.148 0.000 1.105 610 R CB 0.336 30.737 30.300 0.168 0.000 0.989 610 R HN 0.416 nan 8.270 nan 0.000 0.447 611 D N 0.448 120.901 120.400 0.090 0.000 2.371 611 D HA 0.171 4.811 4.640 -0.001 0.000 0.242 611 D C -0.640 175.496 176.300 -0.272 0.000 1.218 611 D CA -0.190 53.784 54.000 -0.043 0.000 0.945 611 D CB 0.937 41.598 40.800 -0.231 0.000 1.137 611 D HN 0.196 nan 8.370 nan 0.000 0.464 612 V N -0.412 119.230 119.914 -0.454 0.000 2.715 612 V HA 0.615 4.735 4.120 -0.001 0.000 0.310 612 V C -1.146 174.666 176.094 -0.470 0.000 1.054 612 V CA -0.727 61.342 62.300 -0.385 0.000 0.928 612 V CB 1.098 32.689 31.823 -0.387 0.000 1.007 612 V HN 0.455 nan 8.190 nan 0.000 0.437 613 Y N 2.340 122.708 120.300 0.113 0.000 2.509 613 Y HA 0.576 5.126 4.550 -0.001 0.000 0.341 613 Y C 0.815 176.474 175.900 -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 40.311 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 -0.755 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 2.072 56.094 54.840 -1.363 0.000 0.764 614 L CB -0.394 40.934 42.059 -1.217 0.000 0.891 614 L HN 0.822 nan 8.230 nan 0.000 0.435 615 Q N -1.207 118.468 119.800 -0.208 0.000 2.175 615 Q HA 0.316 4.656 4.340 -0.001 0.000 0.225 615 Q C 0.592 176.604 176.000 0.020 0.000 0.837 615 Q CA 0.349 56.169 55.803 0.028 0.000 1.032 615 Q CB -0.328 28.345 28.738 -0.109 0.000 1.137 615 Q HN 0.377 nan 8.270 nan 0.000 0.483 616 G N 2.046 110.983 108.800 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 -2.776 172.346 174.900 0.371 0.000 1.210 616 G CA -1.407 43.977 45.100 0.474 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 0.075 0.000 1.223 617 P CA -0.239 62.905 63.100 0.074 0.000 0.784 617 P CB 1.134 32.873 31.700 0.065 0.000 0.923 618 I N -0.513 119.939 120.570 -0.197 0.000 2.726 618 I HA 0.167 4.337 4.170 -0.001 0.000 0.243 618 I C 0.727 177.081 176.117 0.395 0.000 1.082 618 I CA 0.633 61.884 61.300 -0.083 0.000 1.447 618 I CB -0.381 37.560 38.000 -0.099 0.000 1.250 618 I HN 0.436 nan 8.210 nan 0.000 0.453 619 W N 1.059 122.512 121.300 0.256 0.000 3.207 619 W HA 0.823 5.483 4.660 -0.001 0.000 0.326 619 W C -1.182 175.469 176.519 0.219 0.000 1.190 619 W CA -1.200 56.324 57.345 0.298 0.000 1.011 619 W CB 0.817 30.477 29.460 0.332 0.000 1.511 619 W HN -0.035 nan 8.180 nan 0.000 0.606 620 A N 1.332 124.447 122.820 0.492 0.000 2.555 620 A HA 0.465 4.785 4.320 -0.001 0.000 0.297 620 A C -1.414 176.342 177.584 0.287 0.000 1.060 620 A CA -1.116 51.121 52.037 0.334 0.000 0.710 620 A CB 1.390 20.501 19.000 0.185 0.000 1.282 620 A HN 0.724 nan 8.150 nan 0.000 0.399 621 K N 2.299 122.824 120.400 0.208 0.000 2.412 621 K HA 0.390 4.709 4.320 -0.001 0.000 0.281 621 K C -0.656 175.911 176.600 -0.055 0.000 1.027 621 K CA -0.050 56.180 56.287 -0.094 0.000 0.989 621 K CB 0.147 32.404 32.500 -0.405 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 -2.284 58.922 61.300 -0.157 0.000 1.351 622 I CB 0.934 38.760 38.000 -0.289 0.000 1.410 622 I HN 0.521 nan 8.210 nan 0.000 0.505 623 P HA -0.111 nan 4.420 nan 0.000 0.262 623 P C -0.514 176.860 177.300 0.124 0.000 1.182 623 P CA 0.182 63.320 63.100 0.064 0.000 0.761 623 P CB 0.193 31.955 31.700 0.103 0.000 0.795 624 H N 2.470 121.562 119.070 0.036 0.000 3.216 624 H HA 0.238 4.794 4.556 -0.001 0.000 0.263 624 H C 0.273 175.655 175.328 0.090 0.000 1.601 624 H CA 0.085 56.169 56.048 0.060 0.000 1.509 624 H CB -0.506 29.260 29.762 0.007 0.000 1.759 624 H HN 0.333 nan 8.280 nan 0.000 0.533 625 T N -0.465 114.103 114.554 0.024 0.000 2.905 625 T HA 0.151 4.501 4.350 -0.001 0.000 0.283 625 T C 0.930 175.489 174.700 -0.234 0.000 1.031 625 T CA -0.937 61.129 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 0.228 nan 8.240 nan 0.000 0.560 626 D N 0.458 120.748 120.400 -0.183 0.000 2.224 626 D HA 0.193 4.832 4.640 -0.001 0.000 0.205 626 D C 0.919 177.034 176.300 -0.308 0.000 0.965 626 D CA 1.095 54.980 54.000 -0.191 0.000 0.852 626 D CB -0.221 40.520 40.800 -0.097 0.000 0.947 626 D HN 0.812 nan 8.370 nan 0.000 0.494 627 G N -0.717 107.833 108.800 -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 -1.106 173.448 174.900 -0.575 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 0.976 120.069 119.070 0.039 0.000 2.949 628 H HA 0.553 5.109 4.556 -0.001 0.000 0.356 628 H C -0.677 174.754 175.328 0.171 0.000 1.212 628 H CA -0.652 55.439 56.048 0.071 0.000 1.136 628 H CB 2.361 32.137 29.762 0.023 0.000 1.869 628 H HN 0.419 nan 8.280 nan 0.000 0.556 629 F N 0.100 120.153 119.950 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 0.239 0.000 1.010 629 F CA 0.374 58.474 58.000 0.166 0.000 1.100 629 F CB 0.437 39.511 39.000 0.123 0.000 1.360 629 F HN 0.474 nan 8.300 nan 0.000 0.649 630 H N 2.177 121.266 119.070 0.032 0.000 2.643 630 H HA 0.314 4.869 4.556 -0.001 0.000 0.259 630 H C -2.126 173.264 175.328 0.103 0.000 1.298 630 H CA -1.883 54.159 56.048 -0.010 0.000 1.301 630 H CB 0.766 30.636 29.762 0.179 0.000 1.422 630 H HN 0.081 nan 8.280 nan 0.000 0.521 631 P HA -0.055 nan 4.420 nan 0.000 0.279 631 P C 0.102 177.396 177.300 -0.009 0.000 1.451 631 P CA 0.286 63.365 63.100 -0.035 0.000 0.783 631 P CB -0.231 31.382 31.700 -0.146 0.000 1.490 632 S N 1.552 117.283 115.700 0.052 0.000 2.499 632 S HA 0.321 4.791 4.470 -0.001 0.000 0.275 632 S C -2.288 172.391 174.600 0.132 0.000 1.257 632 S CA -1.702 56.561 58.200 0.105 0.000 1.050 632 S CB -0.187 63.129 63.200 0.194 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 2.248 123.537 121.223 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 56.270 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 -0.520 119.145 119.600 0.109 0.000 2.659 635 M HA 0.151 4.631 4.480 -0.001 0.000 0.243 635 M C 0.813 177.204 176.300 0.153 0.000 1.111 635 M CA 0.493 55.864 55.300 0.118 0.000 1.070 635 M CB -0.191 32.464 32.600 0.092 0.000 1.525 635 M HN 0.329 nan 8.290 nan 0.000 0.517 636 G N -0.204 108.679 108.800 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 0.776 nan 8.290 nan 0.000 0.619 637 G N -1.027 107.767 108.800 -0.010 0.000 2.428 637 G HA2 0.388 4.348 3.960 -0.001 0.000 0.202 637 G HA3 0.388 4.348 3.960 -0.001 0.000 0.202 637 G C -0.446 174.331 174.900 -0.205 0.000 1.247 637 G CA 0.055 45.090 45.100 -0.109 0.000 1.020 637 G HN 1.722 nan 8.290 nan 0.000 0.529 638 F N 1.827 121.935 119.950 0.263 0.000 2.411 638 F HA 0.586 5.113 4.527 -0.001 0.000 0.352 638 F C 1.101 177.037 175.800 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 4.883 113.850 108.800 0.278 0.000 2.320 639 G HA2 0.610 4.570 3.960 -0.001 0.000 0.300 639 G HA3 0.610 4.570 3.960 -0.001 0.000 0.300 639 G C -1.015 173.956 174.900 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 2.929 124.204 121.223 0.087 0.000 2.362 640 L HA 0.372 4.712 4.340 -0.001 0.000 0.275 640 L C 1.072 177.839 176.870 -0.171 0.000 0.998 640 L CA -1.115 53.725 54.840 0.001 0.000 0.820 640 L CB 2.334 44.421 42.059 0.046 0.000 1.270 640 L HN 0.435 nan 8.230 nan 0.000 0.415 641 K N 0.922 121.181 120.400 -0.235 0.000 2.057 641 K HA -0.031 4.289 4.320 -0.001 0.000 0.207 641 K C 0.280 176.382 176.600 -0.831 0.000 1.049 641 K CA 1.298 57.291 56.287 -0.490 0.000 0.931 641 K CB 0.062 32.294 32.500 -0.446 0.000 0.714 641 K HN 0.540 nan 8.250 nan 0.000 0.440 642 H N 0.266 119.167 119.070 -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 -2.121 53.702 56.048 -0.374 0.000 1.502 642 H CB 1.174 30.891 29.762 -0.074 0.000 1.512 642 H HN 0.029 nan 8.280 nan 0.000 0.502 643 P HA 0.156 nan 4.420 nan 0.000 0.276 643 P C -2.600 174.440 177.300 -0.434 0.000 1.261 643 P CA -1.881 61.043 63.100 -0.294 0.000 0.800 643 P CB 0.026 31.564 31.700 -0.270 0.000 1.066 644 P HA 0.023 nan 4.420 nan 0.000 0.258 644 P C -2.099 175.030 177.300 -0.285 0.000 1.172 644 P CA -0.271 62.107 63.100 -1.203 0.000 0.762 644 P CB -1.123 29.907 31.700 -1.117 0.000 0.764 645 P HA 0.030 nan 4.420 nan 0.000 0.272 645 P C -0.486 176.734 177.300 -0.133 0.000 1.240 645 P CA -0.037 63.016 63.100 -0.079 0.000 0.791 645 P CB 0.718 32.271 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 -0.454 175.238 176.000 -0.514 0.000 0.941 646 Q CA -0.285 55.325 55.803 -0.323 0.000 0.912 646 Q CB 0.217 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 3.040 123.341 120.570 -0.448 0.000 2.337 647 I HA 0.184 4.354 4.170 -0.001 0.000 0.285 647 I C -0.507 175.377 176.117 -0.388 0.000 1.041 647 I CA -0.208 60.775 61.300 -0.529 0.000 1.199 647 I CB 0.614 38.256 38.000 -0.597 0.000 1.370 647 I HN 0.478 nan 8.210 nan 0.000 0.470 648 M N 6.584 125.758 119.600 -0.710 0.000 2.274 648 M HA 0.551 5.030 4.480 -0.001 0.000 0.344 648 M C -0.646 175.636 176.300 -0.029 0.000 1.161 648 M CA -0.248 54.770 55.300 -0.470 0.000 1.126 648 M CB 1.204 33.172 32.600 -1.053 0.000 1.522 648 M HN 0.508 nan 8.290 nan 0.000 0.461 649 I N 3.109 123.828 120.570 0.249 0.000 2.722 649 I HA 0.683 4.852 4.170 -0.001 0.000 0.292 649 I C -1.832 174.284 176.117 -0.001 0.000 1.267 649 I CA -0.294 61.085 61.300 0.132 0.000 1.036 649 I CB 1.638 39.626 38.000 -0.020 0.000 1.281 649 I HN 0.679 nan 8.210 nan 0.000 0.423 650 K N 3.966 124.218 120.400 -0.246 0.000 2.578 650 K HA 0.558 4.877 4.320 -0.001 0.000 0.269 650 K C -1.905 174.519 176.600 -0.292 0.000 0.941 650 K CA -0.666 55.372 56.287 -0.415 0.000 0.847 650 K CB 0.704 32.580 32.500 -1.040 0.000 1.397 650 K HN 0.347 nan 8.250 nan 0.000 0.422 651 N N 1.305 119.908 118.700 -0.161 0.000 2.475 651 N HA 0.155 4.894 4.740 -0.001 0.000 0.267 651 N C -0.741 174.684 175.510 -0.141 0.000 1.169 651 N CA -0.213 52.786 53.050 -0.085 0.000 0.947 651 N CB 0.914 39.402 38.487 0.001 0.000 1.061 651 N HN 0.683 nan 8.380 nan 0.000 0.466 652 T N 3.653 118.123 114.554 -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 -0.697 61.292 62.100 -0.184 0.000 1.147 652 T CB 0.296 69.103 68.868 -0.103 0.000 0.931 652 T HN 0.266 nan 8.240 nan 0.000 0.541 653 P HA 0.153 nan 4.420 nan 0.000 0.263 653 P C -0.920 176.205 177.300 -0.291 0.000 1.195 653 P CA -0.133 62.463 63.100 -0.841 0.000 0.762 653 P CB 0.345 31.435 31.700 -1.017 0.000 0.799 654 V N 7.064 126.927 119.914 -0.086 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 0.287 0.000 1.018 654 V CA -2.100 60.250 62.300 0.084 0.000 0.814 654 V CB 1.348 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 0.211 nan 4.420 nan 0.000 0.266 655 P C 0.004 177.362 177.300 0.098 0.000 1.195 655 P CA 0.415 63.514 63.100 -0.002 0.000 0.768 655 P CB 0.773 32.170 31.700 -0.506 0.000 0.838 656 A N 3.112 126.037 122.820 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 0.162 0.000 1.372 656 A CA -0.667 51.457 52.037 0.145 0.000 0.886 656 A CB -0.334 18.736 19.000 0.116 0.000 1.462 656 A HN 0.591 nan 8.150 nan 0.000 0.514 657 N N 1.065 119.826 118.700 0.101 0.000 2.315 657 N HA 0.165 4.904 4.740 -0.001 0.000 0.270 657 N C -2.435 173.136 175.510 0.102 0.000 1.329 657 N CA -0.434 52.667 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 0.333 nan 8.380 nan 0.000 0.487 658 P HA 0.345 nan 4.420 nan 0.000 0.287 658 P C -2.540 174.797 177.300 0.060 0.000 1.270 658 P CA -1.311 61.877 63.100 0.146 0.000 0.844 658 P CB 0.411 32.248 31.700 0.229 0.000 1.068 659 P HA 0.179 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 -0.056 63.048 63.100 0.007 0.000 0.781 659 P CB 0.213 31.893 31.700 -0.033 0.000 0.906 660 T N -0.667 113.908 114.554 0.036 0.000 2.977 660 T HA -0.057 4.293 4.350 -0.001 0.000 0.271 660 T C 0.955 175.693 174.700 0.063 0.000 1.105 660 T CA 1.311 63.439 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 0.477 nan 8.240 nan 0.000 0.509 661 T N 0.976 115.564 114.554 0.056 0.000 2.902 661 T HA 0.475 4.824 4.350 -0.001 0.000 0.283 661 T C -0.908 173.861 174.700 0.114 0.000 1.009 661 T CA -0.970 61.177 62.100 0.078 0.000 1.051 661 T CB 0.301 69.193 68.868 0.039 0.000 0.999 661 T HN 0.138 nan 8.240 nan 0.000 0.474 662 F N 4.619 124.576 119.950 0.011 0.000 2.506 662 F HA 0.490 5.016 4.527 -0.001 0.000 0.371 662 F C 0.297 176.103 175.800 0.010 0.000 1.078 662 F CA -0.321 57.690 58.000 0.018 0.000 1.195 662 F CB 0.355 39.368 39.000 0.022 0.000 1.099 662 F HN 0.399 nan 8.300 nan 0.000 0.548 663 S N 7.579 122.889 115.700 -0.650 0.000 2.498 663 S HA 0.503 4.973 4.470 -0.001 0.000 0.317 663 S C -1.686 172.407 174.600 -0.845 0.000 1.090 663 S CA -1.369 56.440 58.200 -0.651 0.000 1.089 663 S CB 1.288 64.294 63.200 -0.323 0.000 0.997 663 S HN 0.559 nan 8.310 nan 0.000 0.470 664 P HA 0.188 nan 4.420 nan 0.000 0.222 664 P C 0.292 177.492 177.300 -0.166 0.000 1.153 664 P CA 0.254 63.114 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 0.872 123.586 122.820 -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 -0.417 18.508 19.000 -0.126 0.000 0.988 665 A HN 0.091 nan 8.150 nan 0.000 0.509 666 K N 0.834 121.235 120.400 0.003 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 0.257 56.588 56.287 0.073 0.000 1.030 666 K CB 0.040 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 3.019 122.973 119.950 0.007 0.000 2.467 667 F HA 0.216 4.743 4.527 -0.001 0.000 0.362 667 F C 0.705 176.431 175.800 -0.124 0.000 1.090 667 F CA 0.604 58.549 58.000 -0.093 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 3.034 125.720 122.820 -0.222 0.000 2.474 668 A HA 0.156 4.476 4.320 -0.001 0.000 0.221 668 A C 0.510 177.980 177.584 -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 18.915 19.000 -0.019 0.000 1.217 668 A HN 0.489 nan 8.150 nan 0.000 0.553 669 S N 0.721 116.180 115.700 -0.402 0.000 2.411 669 S HA 0.640 5.109 4.470 -0.001 0.000 0.304 669 S C -0.975 173.510 174.600 -0.191 0.000 1.098 669 S CA -0.252 57.820 58.200 -0.214 0.000 1.068 669 S CB -0.619 62.450 63.200 -0.219 0.000 1.032 669 S HN 0.201 nan 8.310 nan 0.000 0.511 670 F N 3.367 123.454 119.950 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 0.148 0.000 1.058 670 F CA -1.194 56.932 58.000 0.210 0.000 0.944 670 F CB 1.307 40.461 39.000 0.257 0.000 1.245 670 F HN 0.296 nan 8.300 nan 0.000 0.477 671 I N 1.794 122.570 120.570 0.344 0.000 2.416 671 I HA 0.117 4.287 4.170 -0.001 0.000 0.288 671 I C 0.289 176.529 176.117 0.203 0.000 1.051 671 I CA -0.392 61.034 61.300 0.209 0.000 1.375 671 I CB 0.923 39.012 38.000 0.149 0.000 1.407 671 I HN 0.593 nan 8.210 nan 0.000 0.516 672 T N 4.398 119.041 114.554 0.149 0.000 2.834 672 T HA 0.406 4.755 4.350 -0.001 0.000 0.298 672 T C -0.366 174.400 174.700 0.111 0.000 0.966 672 T CA -0.601 61.567 62.100 0.114 0.000 1.141 672 T CB 0.907 69.820 68.868 0.074 0.000 0.905 672 T HN 0.745 nan 8.240 nan 0.000 0.535 673 Q N 2.053 121.920 119.800 0.112 0.000 2.527 673 Q HA 0.541 4.880 4.340 -0.001 0.000 0.280 673 Q C -1.708 174.383 176.000 0.150 0.000 0.977 673 Q CA -1.346 54.531 55.803 0.124 0.000 0.837 673 Q CB 1.237 30.006 28.738 0.052 0.000 1.454 673 Q HN 0.868 nan 8.270 nan 0.000 0.387 674 Y N -1.022 119.258 120.300 -0.033 0.000 2.633 674 Y HA 0.890 5.440 4.550 -0.001 0.000 0.339 674 Y C -0.791 175.098 175.900 -0.017 0.000 1.045 674 Y CA -0.720 57.354 58.100 -0.043 0.000 1.098 674 Y CB 1.978 40.395 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 -0.033 0.000 2.599 675 S HA 0.813 5.283 4.470 -0.001 0.000 0.294 675 S C -0.875 173.667 174.600 -0.098 0.000 1.094 675 S CA -0.451 57.692 58.200 -0.096 0.000 0.931 675 S CB 1.853 65.131 63.200 0.131 0.000 1.093 675 S HN 1.113 nan 8.310 nan 0.000 0.488 676 T N -0.315 113.995 114.554 -0.407 0.000 2.932 676 T HA 0.762 5.111 4.350 -0.001 0.000 0.318 676 T C -0.326 173.673 174.700 -1.168 0.000 1.265 676 T CA 0.236 61.831 62.100 -0.842 0.000 1.036 676 T CB 1.031 69.639 68.868 -0.433 0.000 1.209 676 T HN 1.686 nan 8.240 nan 0.000 0.484 677 G N 2.126 109.773 108.800 -1.922 0.000 2.489 677 G HA2 0.552 4.511 3.960 -0.001 0.000 0.305 677 G HA3 0.552 4.511 3.960 -0.001 0.000 0.305 677 G C -1.986 172.224 174.900 -1.149 0.000 1.311 677 G CA -0.668 43.728 45.100 -1.173 0.000 0.813 677 G HN 0.746 nan 8.290 nan 0.000 0.480 678 Q N -1.271 118.187 119.800 -0.569 0.000 2.215 678 Q HA 0.733 5.072 4.340 -0.001 0.000 0.256 678 Q C -0.586 175.220 176.000 -0.324 0.000 0.972 678 Q CA -0.706 54.812 55.803 -0.475 0.000 0.889 678 Q CB 2.396 30.729 28.738 -0.675 0.000 1.281 678 Q HN 0.784 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 4.918 4.120 -0.001 0.000 0.308 679 V C -1.412 174.590 176.094 -0.153 0.000 1.062 679 V CA -0.290 61.912 62.300 -0.164 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 4.147 119.763 115.700 -0.141 0.000 2.526 680 S HA 0.878 5.347 4.470 -0.001 0.000 0.293 680 S C -1.415 173.052 174.600 -0.222 0.000 1.092 680 S CA -0.469 57.676 58.200 -0.091 0.000 0.980 680 S CB 1.709 64.973 63.200 0.105 0.000 1.048 680 S HN 0.852 nan 8.310 nan 0.000 0.483 681 V N 4.374 124.189 119.914 -0.166 0.000 2.524 681 V HA 0.477 4.596 4.120 -0.001 0.000 0.297 681 V C -0.495 175.549 176.094 -0.083 0.000 1.035 681 V CA -0.663 61.538 62.300 -0.165 0.000 0.867 681 V CB 1.590 33.211 31.823 -0.336 0.000 1.004 681 V HN 0.897 nan 8.190 nan 0.000 0.426 682 E N 5.348 125.500 120.200 -0.080 0.000 2.145 682 E HA 0.664 5.014 4.350 -0.001 0.000 0.270 682 E C -1.458 175.090 176.600 -0.087 0.000 0.906 682 E CA -0.508 55.848 56.400 -0.073 0.000 0.761 682 E CB 1.463 31.101 29.700 -0.104 0.000 1.116 682 E HN 0.659 nan 8.360 nan 0.000 0.408 683 I N 3.392 123.900 120.570 -0.104 0.000 2.509 683 I HA 0.284 4.454 4.170 -0.001 0.000 0.293 683 I C -0.240 175.668 176.117 -0.347 0.000 1.020 683 I CA -0.818 60.320 61.300 -0.270 0.000 1.088 683 I CB 2.083 39.811 38.000 -0.453 0.000 1.267 683 I HN 0.538 nan 8.210 nan 0.000 0.430 684 E N 5.385 125.330 120.200 -0.425 0.000 2.175 684 E HA 0.354 4.703 4.350 -0.001 0.000 0.278 684 E C -1.947 174.384 176.600 -0.449 0.000 0.969 684 E CA -0.616 55.609 56.400 -0.293 0.000 0.796 684 E CB 1.202 30.800 29.700 -0.169 0.000 1.104 684 E HN 0.393 nan 8.360 nan 0.000 0.395 685 W N 2.882 124.138 121.300 -0.073 0.000 2.587 685 W HA 0.305 4.965 4.660 -0.001 0.000 0.324 685 W C -0.093 176.464 176.519 0.063 0.000 1.040 685 W CA -0.756 56.592 57.345 0.006 0.000 1.222 685 W CB 1.209 30.730 29.460 0.101 0.000 1.381 685 W HN 0.461 nan 8.180 nan 0.000 0.483 686 E N 3.352 123.733 120.200 0.301 0.000 2.227 686 E HA 0.463 4.813 4.350 -0.001 0.000 0.282 686 E C -0.987 175.960 176.600 0.578 0.000 1.015 686 E CA -0.400 56.202 56.400 0.336 0.000 0.823 686 E CB 0.773 30.612 29.700 0.231 0.000 1.081 686 E HN 0.458 nan 8.360 nan 0.000 0.396 687 L N 3.679 125.179 121.223 0.463 0.000 2.325 687 L HA 0.361 4.700 4.340 -0.001 0.000 0.278 687 L C -0.060 176.921 176.870 0.185 0.000 1.023 687 L CA -0.740 54.345 54.840 0.409 0.000 0.811 687 L CB 1.670 43.904 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 -0.818 175.112 176.000 -0.117 0.000 0.980 688 Q CA -0.780 54.823 55.803 -0.333 0.000 0.887 688 Q CB 1.115 29.414 28.738 -0.731 0.000 1.221 688 Q HN 0.341 nan 8.270 nan 0.000 0.458 689 K N 2.329 122.635 120.400 -0.156 0.000 2.258 689 K HA 0.064 4.384 4.320 -0.001 0.000 0.264 689 K C -0.159 176.146 176.600 -0.492 0.000 1.007 689 K CA -0.087 56.070 56.287 -0.217 0.000 0.941 689 K CB 0.925 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 -0.033 4.317 4.350 -0.001 0.000 0.275 690 E C -0.879 175.119 176.600 -1.004 0.000 1.029 690 E CA -0.007 55.605 56.400 -1.315 0.000 0.871 690 E CB 0.447 29.573 29.700 -0.957 0.000 1.022 690 E HN 0.412 nan 8.360 nan 0.000 0.418 691 N N 2.983 120.981 118.700 -1.170 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 -0.286 0.000 1.191 691 N HN 0.203 nan 8.380 nan 0.000 0.511 692 S N 1.031 116.640 115.700 -0.152 0.000 2.503 692 S HA 0.462 4.932 4.470 -0.001 0.000 0.301 692 S C 0.175 174.804 174.600 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 2.151 122.606 120.400 0.092 0.000 2.440 693 K HA 0.151 4.470 4.320 -0.001 0.000 0.206 693 K C 0.266 176.949 176.600 0.137 0.000 1.025 693 K CA -0.250 56.094 56.287 0.095 0.000 1.135 693 K CB -0.063 32.492 32.500 0.092 0.000 0.856 693 K HN 0.548 nan 8.250 nan 0.000 0.502 694 R N 0.990 121.571 120.500 0.135 0.000 2.502 694 R HA -0.110 4.229 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 0.248 56.441 56.100 0.154 0.000 1.056 694 R CB 0.036 30.419 30.300 0.138 0.000 0.939 694 R HN 0.287 nan 8.270 nan 0.000 0.411 695 W N 5.813 127.132 121.300 0.031 0.000 2.441 695 W HA -0.077 4.583 4.660 -0.001 0.000 0.302 695 W C -0.252 176.280 176.519 0.022 0.000 1.191 695 W CA 0.956 58.313 57.345 0.021 0.000 1.327 695 W CB -0.116 29.355 29.460 0.018 0.000 1.128 695 W HN 0.748 nan 8.180 nan 0.000 0.522 696 N N 1.950 120.764 118.700 0.190 0.000 2.503 696 N HA 0.145 4.885 4.740 -0.001 0.000 0.267 696 N C -2.737 172.779 175.510 0.011 0.000 1.214 696 N CA -1.292 51.808 53.050 0.083 0.000 0.959 696 N CB -0.396 38.187 38.487 0.160 0.000 1.142 696 N HN -0.132 nan 8.380 nan 0.000 0.455 697 P HA 0.060 nan 4.420 nan 0.000 0.267 697 P C -0.243 177.078 177.300 0.035 0.000 1.200 697 P CA 0.313 63.407 63.100 -0.010 0.000 0.772 697 P CB 0.550 32.242 31.700 -0.014 0.000 0.855 698 E N 1.210 121.440 120.200 0.050 0.000 2.254 698 E HA 0.381 4.731 4.350 -0.001 0.000 0.261 698 E C 0.235 176.891 176.600 0.094 0.000 1.051 698 E CA -1.056 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 0.440 nan 8.360 nan 0.000 0.423 699 I N -0.953 119.684 120.570 0.113 0.000 2.529 699 I HA 0.154 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 -0.363 61.022 61.300 0.142 0.000 1.406 699 I CB 0.535 38.591 38.000 0.094 0.000 1.405 699 I HN 0.181 nan 8.210 nan 0.000 0.548 700 Q N 4.872 124.831 119.800 0.265 0.000 2.387 700 Q HA 0.307 4.646 4.340 -0.001 0.000 0.273 700 Q C -1.343 174.843 176.000 0.309 0.000 1.089 700 Q CA -0.807 55.158 55.803 0.270 0.000 0.824 700 Q CB 2.670 31.471 28.738 0.106 0.000 1.367 700 Q HN 0.796 nan 8.270 nan 0.000 0.443 701 Y N 0.831 121.085 120.300 -0.077 0.000 2.346 701 Y HA 0.301 4.851 4.550 -0.001 0.000 0.330 701 Y C -0.117 175.786 175.900 0.006 0.000 1.178 701 Y CA 0.847 58.905 58.100 -0.069 0.000 1.331 701 Y CB 0.973 39.169 38.460 -0.439 0.000 1.253 701 Y HN 0.621 nan 8.280 nan 0.000 0.529 702 T N 3.604 117.792 114.554 -0.610 0.000 2.840 702 T HA 0.443 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 0.842 69.657 68.868 -0.088 0.000 1.317 702 T HN 0.625 nan 8.240 nan 0.000 0.495 703 S N 1.857 117.504 115.700 -0.087 0.000 2.632 703 S HA 0.408 4.878 4.470 -0.001 0.000 0.271 703 S C 0.053 174.674 174.600 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 1.713 120.429 118.700 0.027 0.000 2.416 704 N HA 0.072 4.812 4.740 -0.001 0.000 0.265 704 N C 0.608 176.128 175.510 0.018 0.000 1.195 704 N CA -0.155 52.902 53.050 0.011 0.000 0.943 704 N CB 0.184 38.637 38.487 -0.056 0.000 1.115 704 N HN 0.738 nan 8.380 nan 0.000 0.481 705 Y N 1.010 121.309 120.300 -0.000 0.000 2.574 705 Y HA 0.050 4.600 4.550 -0.001 0.000 0.294 705 Y C 0.062 175.966 175.900 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 2.823 121.154 118.700 -0.616 0.000 2.441 706 N HA -0.064 4.676 4.740 -0.001 0.000 0.251 706 N C -0.365 175.025 175.510 -0.200 0.000 1.242 706 N CA -0.002 52.746 53.050 -0.505 0.000 0.898 706 N CB 0.558 38.788 38.487 -0.428 0.000 1.100 706 N HN 0.367 nan 8.380 nan 0.000 0.443 707 K N 0.873 121.190 120.400 -0.139 0.000 2.437 707 K HA -0.035 4.284 4.320 -0.001 0.000 0.277 707 K C -0.223 176.337 176.600 -0.067 0.000 1.073 707 K CA 0.420 56.666 56.287 -0.069 0.000 1.105 707 K CB 0.169 32.640 32.500 -0.048 0.000 0.881 707 K HN 0.441 nan 8.250 nan 0.000 0.475 708 S N 2.745 118.418 115.700 -0.046 0.000 2.634 708 S HA 0.352 4.821 4.470 -0.001 0.000 0.296 708 S C 0.860 175.443 174.600 -0.030 0.000 1.104 708 S CA -1.044 57.131 58.200 -0.042 0.000 0.920 708 S CB 1.570 64.746 63.200 -0.039 0.000 1.111 708 S HN 0.359 nan 8.310 nan 0.000 0.493 709 V N 2.707 122.601 119.914 -0.033 0.000 2.238 709 V HA 0.022 4.142 4.120 -0.001 0.000 0.235 709 V C 0.720 176.799 176.094 -0.026 0.000 1.037 709 V CA 1.386 63.668 62.300 -0.030 0.000 0.991 709 V CB -0.832 30.970 31.823 -0.036 0.000 0.638 709 V HN 0.824 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 -1.031 174.465 175.510 -0.023 0.000 1.129 710 N CA -0.614 52.416 53.050 -0.033 0.000 0.931 710 N CB 2.063 40.517 38.487 -0.056 0.000 1.193 710 N HN 0.079 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 -0.070 176.041 176.094 0.029 0.000 1.051 711 V CA -0.396 61.922 62.300 0.031 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 0.184 4.823 4.640 -0.001 0.000 0.240 712 D C 0.109 176.543 176.300 0.223 0.000 1.142 712 D CA 0.594 54.635 54.000 0.069 0.000 0.872 712 D CB -0.049 40.877 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 0.045 0.000 1.048 713 F CA 0.344 58.289 58.000 -0.093 0.000 1.134 713 F CB -1.762 37.300 39.000 0.103 0.000 1.440 713 F HN 0.162 nan 8.300 nan 0.000 0.799 714 T N -0.834 113.684 114.554 -0.060 0.000 2.792 714 T HA 0.686 5.036 4.350 -0.001 0.000 0.303 714 T C -0.181 174.470 174.700 -0.081 0.000 1.310 714 T CA -0.427 61.715 62.100 0.070 0.000 1.007 714 T CB 2.145 71.048 68.868 0.060 0.000 1.335 714 T HN 0.363 nan 8.240 nan 0.000 0.504 715 V N 0.386 120.257 119.914 -0.072 0.000 2.953 715 V HA 0.705 4.824 4.120 -0.001 0.000 0.304 715 V C 0.039 176.085 176.094 -0.080 0.000 1.073 715 V CA -0.630 61.593 62.300 -0.128 0.000 1.064 715 V CB 0.645 32.367 31.823 -0.168 0.000 1.047 715 V HN 0.989 nan 8.190 nan 0.000 0.478 716 D N 0.996 121.349 120.400 -0.077 0.000 2.589 716 D HA 0.293 4.933 4.640 -0.001 0.000 0.268 716 D C 1.420 177.698 176.300 -0.036 0.000 1.182 716 D CA 0.255 54.220 54.000 -0.058 0.000 1.087 716 D CB -0.004 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 -2.144 112.392 114.554 -0.030 0.000 2.737 717 T HA -0.243 4.106 4.350 -0.001 0.000 0.269 717 T C 0.827 175.518 174.700 -0.015 0.000 1.040 717 T CA 1.668 63.757 62.100 -0.019 0.000 1.142 717 T CB -0.977 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 0.862 119.551 118.700 -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 38.562 38.487 -0.013 0.000 1.138 718 N HN 0.577 nan 8.380 nan 0.000 0.509 719 G N 0.020 108.809 108.800 -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 -0.760 174.123 174.900 -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 2.857 122.739 119.914 -0.055 0.000 2.532 720 V HA 0.366 4.485 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 1.517 33.316 31.823 -0.040 0.000 1.012 720 V HN 0.609 nan 8.190 nan 0.000 0.432 721 Y N 4.513 124.670 120.300 -0.239 0.000 2.511 721 Y HA 0.492 5.042 4.550 -0.001 0.000 0.332 721 Y C 0.686 176.486 175.900 -0.166 0.000 1.177 721 Y CA 0.308 58.231 58.100 -0.295 0.000 1.422 721 Y CB 1.059 39.278 38.460 -0.402 0.000 1.271 721 Y HN 0.734 nan 8.280 nan 0.000 0.550 722 S N 4.396 119.586 115.700 -0.850 0.000 2.572 722 S HA 0.441 4.911 4.470 -0.001 0.000 0.274 722 S C -1.601 172.499 174.600 -0.834 0.000 1.150 722 S CA -1.189 56.627 58.200 -0.640 0.000 0.944 722 S CB 1.371 64.345 63.200 -0.376 0.000 1.071 722 S HN 0.683 nan 8.310 nan 0.000 0.479 723 E N 2.996 122.810 120.200 -0.643 0.000 2.130 723 E HA 0.255 4.605 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 -2.087 53.871 56.400 -0.736 0.000 0.817 723 E CB 0.735 30.282 29.700 -0.254 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 -0.011 177.124 177.300 -0.275 0.000 1.162 724 P CA 1.320 64.119 63.100 -0.501 0.000 0.879 724 P CB 0.228 31.634 31.700 -0.490 0.000 0.786 725 R N -2.019 118.362 120.500 -0.198 0.000 2.808 725 R HA 0.589 4.928 4.340 -0.001 0.000 0.272 725 R C -3.218 173.132 176.300 0.083 0.000 0.995 725 R CA -2.368 53.735 56.100 0.005 0.000 0.917 725 R CB 0.431 30.799 30.300 0.114 0.000 1.217 725 R HN -0.230 nan 8.270 nan 0.000 0.471 726 P HA 0.171 nan 4.420 nan 0.000 0.271 726 P C -0.596 176.833 177.300 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 -0.265 61.242 61.300 0.346 0.000 1.191 727 I CB 0.857 38.912 38.000 0.092 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 0.642 0.000 2.468 728 G HA2 0.243 4.203 3.960 -0.001 0.000 0.264 728 G HA3 0.243 4.203 3.960 -0.001 0.000 0.264 728 G C 0.511 175.638 174.900 0.378 0.000 1.460 728 G CA 0.302 45.683 45.100 0.468 0.000 1.060 728 G HN 0.571 nan 8.290 nan 0.000 0.543 729 T N -1.614 113.093 114.554 0.255 0.000 3.073 729 T HA 0.171 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 0.342 4.681 4.340 -0.001 0.000 0.261 730 R C -0.348 176.004 176.300 0.087 0.000 1.341 730 R CA -0.169 55.978 56.100 0.077 0.000 1.353 730 R CB 0.201 30.444 30.300 -0.094 0.000 1.191 730 R HN 0.337 nan 8.270 nan 0.000 0.590 731 Y N 0.218 120.544 120.300 0.044 0.000 2.559 731 Y HA 0.181 4.731 4.550 -0.001 0.000 0.279 731 Y C 0.952 176.902 175.900 0.084 0.000 1.117 731 Y CA 0.019 58.162 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 0.842 122.229 121.223 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 -0.030 114.591 114.554 0.112 0.000 2.829 733 T HA 0.553 4.903 4.350 -0.001 0.000 0.280 733 T C -0.514 174.069 174.700 -0.195 0.000 0.999 733 T CA -0.899 61.182 62.100 -0.032 0.000 0.983 733 T CB 2.211 71.107 68.868 0.048 0.000 0.968 733 T HN 0.643 nan 8.240 nan 0.000 0.446 734 R N 2.074 122.377 120.500 -0.330 0.000 2.854 734 R HA 0.510 4.850 4.340 -0.001 0.000 0.271 734 R C -0.883 175.370 176.300 -0.077 0.000 0.994 734 R CA -0.699 55.160 56.100 -0.401 0.000 0.945 734 R CB 1.398 31.074 30.300 -1.041 0.000 1.194 734 R HN 0.762 nan 8.270 nan 0.000 0.476 735 N N 1.038 119.730 118.700 -0.013 0.000 2.463 735 N HA 0.284 5.023 4.740 -0.001 0.000 0.270 735 N C -0.135 175.439 175.510 0.107 0.000 1.205 735 N CA -0.391 52.698 53.050 0.066 0.000 0.974 735 N CB 0.574 39.089 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