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_L 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 51.486 52.037 0.040 0.000 0.737 218 A CB 1.690 20.711 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 0.700 177.018 176.300 0.031 0.000 1.151 219 D CA 0.219 54.238 54.000 0.031 0.000 1.089 219 D CB 1.415 42.234 40.800 0.032 0.000 1.295 219 D HN 0.670 nan 8.370 nan 0.000 0.631 220 G N -0.747 108.070 108.800 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 0.884 175.799 174.900 0.024 0.000 1.345 220 G CA -0.299 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 0.553 120.478 119.914 0.018 0.000 2.255 221 V HA 0.032 4.152 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 2.121 64.430 62.300 0.015 0.000 1.008 221 V CB -0.654 31.174 31.823 0.009 0.000 0.645 221 V HN 0.760 nan 8.190 nan 0.000 0.449 222 G N 0.751 109.558 108.800 0.011 0.000 3.530 222 G HA2 0.148 4.108 3.960 -0.001 0.000 0.269 222 G HA3 0.148 4.108 3.960 -0.001 0.000 0.269 222 G C -0.030 174.879 174.900 0.014 0.000 1.314 222 G CA 0.023 45.129 45.100 0.010 0.000 1.441 222 G HN 0.472 nan 8.290 nan 0.000 0.595 223 N N -0.020 118.692 118.700 0.020 0.000 2.519 223 N HA 0.265 5.005 4.740 -0.001 0.000 0.291 223 N C -0.060 175.473 175.510 0.038 0.000 1.107 223 N CA -0.524 52.541 53.050 0.025 0.000 0.904 223 N CB 1.403 39.903 38.487 0.022 0.000 1.500 223 N HN 0.035 nan 8.380 nan 0.000 0.510 224 S N 1.540 117.266 115.700 0.043 0.000 2.549 224 S HA 0.086 4.555 4.470 -0.001 0.000 0.286 224 S C 0.834 175.480 174.600 0.075 0.000 1.314 224 S CA -0.224 58.018 58.200 0.070 0.000 1.062 224 S CB 0.668 63.913 63.200 0.075 0.000 0.865 224 S HN 0.612 nan 8.310 nan 0.000 0.498 225 S N 1.107 116.879 115.700 0.121 0.000 2.618 225 S HA 0.581 5.050 4.470 -0.001 0.000 0.242 225 S C 0.654 175.299 174.600 0.076 0.000 0.972 225 S CA -0.254 58.014 58.200 0.113 0.000 1.004 225 S CB -0.695 62.598 63.200 0.155 0.000 0.778 225 S HN 1.543 nan 8.310 nan 0.000 0.459 226 G N 0.360 109.169 108.800 0.015 0.000 2.328 226 G HA2 0.325 4.284 3.960 -0.001 0.000 0.299 226 G HA3 0.325 4.284 3.960 -0.001 0.000 0.299 226 G C -1.899 172.901 174.900 -0.166 0.000 1.435 226 G CA -1.072 43.852 45.100 -0.293 0.000 0.865 226 G HN 0.281 nan 8.290 nan 0.000 0.601 227 N N -1.028 117.485 118.700 -0.312 0.000 2.545 227 N HA 0.466 5.205 4.740 -0.001 0.000 0.289 227 N C -1.009 174.406 175.510 -0.158 0.000 1.279 227 N CA -0.849 52.094 53.050 -0.179 0.000 0.824 227 N CB 2.206 40.516 38.487 -0.295 0.000 1.395 227 N HN 0.532 nan 8.380 nan 0.000 0.526 228 W N 2.575 123.723 121.300 -0.253 0.000 2.367 228 W HA 0.189 4.849 4.660 -0.001 0.000 0.329 228 W C -1.055 175.293 176.519 -0.284 0.000 1.066 228 W CA 0.025 57.295 57.345 -0.126 0.000 1.435 228 W CB -0.087 29.343 29.460 -0.049 0.000 1.296 228 W HN 0.479 nan 8.180 nan 0.000 0.401 229 H N 5.319 124.294 119.070 -0.158 0.000 2.700 229 H HA 0.180 4.736 4.556 -0.001 0.000 0.269 229 H C -0.206 174.995 175.328 -0.211 0.000 1.222 229 H CA -0.216 55.762 56.048 -0.117 0.000 1.254 229 H CB 0.970 30.656 29.762 -0.126 0.000 1.413 229 H HN 0.165 nan 8.280 nan 0.000 0.507 230 C N 4.107 123.408 119.300 0.002 0.000 2.437 230 C HA 0.386 4.846 4.460 -0.001 0.000 0.307 230 C C -0.541 174.502 174.990 0.090 0.000 1.093 230 C CA -0.278 58.746 59.018 0.010 0.000 1.463 230 C CB -0.712 27.089 27.740 0.103 0.000 1.926 230 C HN 0.873 nan 8.230 nan 0.000 0.420 231 D N 1.917 122.344 120.400 0.046 0.000 2.665 231 D HA 0.713 5.352 4.640 -0.001 0.000 0.287 231 D C -1.288 175.014 176.300 0.002 0.000 1.266 231 D CA 0.179 54.208 54.000 0.048 0.000 0.830 231 D CB 2.297 43.136 40.800 0.066 0.000 1.356 231 D HN 0.594 nan 8.370 nan 0.000 0.437 232 S N 0.504 116.207 115.700 0.005 0.000 2.562 232 S HA 0.703 5.173 4.470 -0.001 0.000 0.274 232 S C -1.862 172.723 174.600 -0.026 0.000 1.160 232 S CA -0.811 57.347 58.200 -0.069 0.000 0.933 232 S CB 1.562 64.693 63.200 -0.115 0.000 1.100 232 S HN 0.422 nan 8.310 nan 0.000 0.468 233 Q N 1.418 121.157 119.800 -0.100 0.000 2.416 233 Q HA 0.746 5.086 4.340 -0.001 0.000 0.281 233 Q C -1.865 174.085 176.000 -0.082 0.000 1.067 233 Q CA -0.502 55.317 55.803 0.027 0.000 0.809 233 Q CB 0.485 29.267 28.738 0.073 0.000 1.418 233 Q HN 0.743 nan 8.270 nan 0.000 0.411 234 W N 1.419 122.738 121.300 0.031 0.000 2.512 234 W HA 0.577 5.237 4.660 -0.001 0.000 0.335 234 W C -0.061 176.475 176.519 0.028 0.000 1.088 234 W CA -0.777 56.589 57.345 0.035 0.000 1.236 234 W CB 1.010 30.485 29.460 0.025 0.000 1.307 234 W HN 0.487 nan 8.180 nan 0.000 0.567 235 L N 3.302 124.666 121.223 0.235 0.000 3.122 235 L HA 0.244 4.584 4.340 -0.001 0.000 0.274 235 L C 1.624 178.578 176.870 0.139 0.000 1.222 235 L CA 0.718 55.644 54.840 0.145 0.000 1.028 235 L CB -0.673 41.437 42.059 0.086 0.000 1.386 235 L HN 0.998 nan 8.230 nan 0.000 0.578 236 G N 1.048 109.963 108.800 0.192 0.000 2.451 236 G HA2 -0.434 3.526 3.960 -0.001 0.000 0.253 236 G HA3 -0.434 3.526 3.960 -0.001 0.000 0.253 236 G C 0.940 175.910 174.900 0.116 0.000 1.033 236 G CA 1.109 46.286 45.100 0.129 0.000 0.633 236 G HN 0.396 nan 8.290 nan 0.000 0.537 237 D N 0.025 120.495 120.400 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 0.938 55.004 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 -1.604 118.992 120.500 0.159 0.000 2.741 238 R HA 0.574 4.913 4.340 -0.001 0.000 0.276 238 R C -2.039 174.322 176.300 0.101 0.000 1.028 238 R CA -0.993 55.201 56.100 0.156 0.000 0.865 238 R CB 1.046 31.411 30.300 0.109 0.000 1.268 238 R HN -0.121 nan 8.270 nan 0.000 0.475 239 V N 1.665 121.601 119.914 0.037 0.000 2.760 239 V HA 0.594 4.714 4.120 -0.001 0.000 0.309 239 V C -1.601 174.442 176.094 -0.084 0.000 1.077 239 V CA -0.868 61.300 62.300 -0.220 0.000 0.910 239 V CB 1.940 33.319 31.823 -0.740 0.000 1.008 239 V HN 0.678 nan 8.190 nan 0.000 0.424 240 I N 5.713 126.185 120.570 -0.164 0.000 2.362 240 I HA 0.538 4.708 4.170 -0.001 0.000 0.289 240 I C 0.406 176.440 176.117 -0.137 0.000 0.994 240 I CA 0.017 61.265 61.300 -0.085 0.000 1.158 240 I CB 2.055 40.006 38.000 -0.082 0.000 1.315 240 I HN 0.792 nan 8.210 nan 0.000 0.451 241 T N 1.448 115.959 114.554 -0.071 0.000 2.771 241 T HA 0.724 5.073 4.350 -0.001 0.000 0.281 241 T C -0.125 174.553 174.700 -0.037 0.000 0.982 241 T CA -0.633 61.398 62.100 -0.115 0.000 0.978 241 T CB 1.021 69.759 68.868 -0.217 0.000 0.930 241 T HN 0.475 nan 8.240 nan 0.000 0.447 242 T N 2.445 116.972 114.554 -0.045 0.000 2.829 242 T HA 0.675 5.025 4.350 -0.001 0.000 0.280 242 T C -0.534 174.139 174.700 -0.045 0.000 0.999 242 T CA -0.807 61.269 62.100 -0.040 0.000 0.983 242 T CB 1.640 70.480 68.868 -0.045 0.000 0.968 242 T HN 0.701 nan 8.240 nan 0.000 0.446 243 S N 1.608 117.266 115.700 -0.071 0.000 2.619 243 S HA 0.661 5.131 4.470 -0.001 0.000 0.280 243 S C -0.903 173.565 174.600 -0.221 0.000 1.150 243 S CA -0.555 57.574 58.200 -0.119 0.000 0.978 243 S CB 0.973 64.122 63.200 -0.085 0.000 1.041 243 S HN 0.711 nan 8.310 nan 0.000 0.485 244 T N 5.428 119.734 114.554 -0.414 0.000 2.863 244 T HA 0.708 5.058 4.350 -0.001 0.000 0.285 244 T C -0.805 173.535 174.700 -0.601 0.000 1.009 244 T CA -0.946 60.746 62.100 -0.681 0.000 0.989 244 T CB 1.140 69.184 68.868 -1.373 0.000 1.004 244 T HN 0.486 nan 8.240 nan 0.000 0.455 245 R N 1.011 121.370 120.500 -0.236 0.000 2.774 245 R HA 0.603 4.943 4.340 -0.001 0.000 0.272 245 R C -0.922 175.564 176.300 0.310 0.000 1.000 245 R CA -0.811 55.398 56.100 0.182 0.000 0.906 245 R CB 1.650 32.145 30.300 0.326 0.000 1.227 245 R HN 0.575 nan 8.270 nan 0.000 0.468 246 T N 2.712 117.496 114.554 0.382 0.000 2.837 246 T HA 0.543 4.893 4.350 -0.001 0.000 0.285 246 T C -0.295 174.473 174.700 0.113 0.000 0.984 246 T CA -0.560 61.635 62.100 0.159 0.000 1.049 246 T CB 0.638 69.562 68.868 0.094 0.000 0.947 246 T HN 0.462 nan 8.240 nan 0.000 0.472 247 W N 0.578 121.806 121.300 -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 -1.690 55.351 57.345 -0.507 0.000 1.192 247 W CB 1.352 30.500 29.460 -0.519 0.000 1.426 247 W HN 0.736 nan 8.180 nan 0.000 0.529 248 A N 2.951 125.770 122.820 -0.002 0.000 2.386 248 A HA 0.790 5.109 4.320 -0.001 0.000 0.311 248 A C -2.154 175.550 177.584 0.200 0.000 1.068 248 A CA -0.790 51.303 52.037 0.094 0.000 0.743 248 A CB 2.004 21.011 19.000 0.011 0.000 1.258 248 A HN 0.692 nan 8.150 nan 0.000 0.429 249 L N 3.671 125.063 121.223 0.282 0.000 2.404 249 L HA 0.672 5.012 4.340 -0.001 0.000 0.272 249 L C -2.646 174.277 176.870 0.089 0.000 0.980 249 L CA -1.556 53.386 54.840 0.169 0.000 0.836 249 L CB 2.130 44.316 42.059 0.211 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 -0.270 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 -0.317 0.000 2.929 251 T HA 0.356 4.705 4.350 -0.001 0.000 0.331 251 T C -0.492 173.990 174.700 -0.363 0.000 1.120 251 T CA -0.042 61.863 62.100 -0.326 0.000 0.973 251 T CB -0.990 67.643 68.868 -0.391 0.000 1.036 251 T HN 0.108 nan 8.240 nan 0.000 0.502 252 Y N 2.146 122.346 120.300 -0.167 0.000 2.397 252 Y HA 0.124 4.673 4.550 -0.001 0.000 0.335 252 Y C 1.721 177.538 175.900 -0.139 0.000 1.213 252 Y CA 0.040 58.068 58.100 -0.120 0.000 1.391 252 Y CB 0.304 38.723 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 -0.412 4.328 4.740 -0.001 0.000 0.249 253 N C -0.192 175.310 175.510 -0.015 0.000 1.125 253 N CA 0.807 53.880 53.050 0.039 0.000 0.794 253 N CB -0.575 37.938 38.487 0.043 0.000 1.152 253 N HN 0.785 nan 8.380 nan 0.000 0.571 254 N N -0.065 118.564 118.700 -0.117 0.000 2.735 254 N HA -0.203 4.537 4.740 -0.001 0.000 0.248 254 N C -0.576 174.846 175.510 -0.147 0.000 1.083 254 N CA 2.029 54.974 53.050 -0.173 0.000 0.703 254 N CB -1.729 36.754 38.487 -0.007 0.000 1.005 254 N HN 0.764 nan 8.380 nan 0.000 0.550 255 H N -2.873 116.150 119.070 -0.078 0.000 2.899 255 H HA -0.189 4.367 4.556 -0.001 0.000 0.282 255 H C -0.182 175.146 175.328 0.000 0.000 1.198 255 H CA 1.125 57.093 56.048 -0.133 0.000 1.140 255 H CB -1.206 28.339 29.762 -0.361 0.000 1.317 255 H HN 0.301 nan 8.280 nan 0.000 0.375 256 L N 0.400 121.693 121.223 0.117 0.000 2.362 256 L HA 0.445 4.785 4.340 -0.001 0.000 0.271 256 L C -0.157 176.807 176.870 0.156 0.000 1.002 256 L CA -1.011 53.946 54.840 0.193 0.000 0.818 256 L CB 1.218 43.385 42.059 0.181 0.000 1.298 256 L HN 0.029 nan 8.230 nan 0.000 0.420 257 Y N 2.239 122.682 120.300 0.239 0.000 2.404 257 Y HA 0.291 4.841 4.550 -0.001 0.000 0.344 257 Y C -0.004 176.037 175.900 0.235 0.000 0.995 257 Y CA -0.215 58.059 58.100 0.289 0.000 1.201 257 Y CB 0.837 39.534 38.460 0.395 0.000 1.151 257 Y HN 0.297 nan 8.280 nan 0.000 0.517 258 K N 3.004 123.584 120.400 0.300 0.000 2.292 258 K HA 0.244 4.563 4.320 -0.001 0.000 0.257 258 K C -0.684 176.002 176.600 0.142 0.000 0.940 258 K CA -1.024 55.373 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 4.764 124.589 119.800 0.041 0.000 2.296 259 Q HA 0.247 4.586 4.340 -0.001 0.000 0.262 259 Q C -0.645 175.118 176.000 -0.395 0.000 0.981 259 Q CA -0.305 55.293 55.803 -0.341 0.000 0.905 259 Q CB 0.419 28.981 28.738 -0.294 0.000 1.186 259 Q HN 0.631 nan 8.270 nan 0.000 0.399 260 I N 0.723 120.923 120.570 -0.616 0.000 2.740 260 I HA 0.821 4.991 4.170 -0.001 0.000 0.303 260 I C -0.655 175.060 176.117 -0.670 0.000 1.044 260 I CA -0.713 60.315 61.300 -0.453 0.000 1.064 260 I CB 2.332 40.175 38.000 -0.262 0.000 1.249 260 I HN 0.771 nan 8.210 nan 0.000 0.433 261 S N 2.159 117.532 115.700 -0.545 0.000 2.724 261 S HA 0.529 4.998 4.470 -0.001 0.000 0.278 261 S C -0.568 173.640 174.600 -0.654 0.000 1.190 261 S CA -0.333 57.439 58.200 -0.714 0.000 0.860 261 S CB 0.804 63.891 63.200 -0.189 0.000 1.206 261 S HN 1.052 nan 8.310 nan 0.000 0.507 262 S N 0.963 116.410 115.700 -0.422 0.000 2.601 262 S HA 0.472 4.942 4.470 -0.001 0.000 0.271 262 S C -0.083 174.552 174.600 0.059 0.000 1.305 262 S CA -0.579 57.624 58.200 0.005 0.000 1.022 262 S CB 0.554 63.904 63.200 0.250 0.000 0.940 262 S HN 0.752 nan 8.310 nan 0.000 0.525 263 Q N 1.584 121.431 119.800 0.078 0.000 2.286 263 Q HA 0.068 4.408 4.340 -0.001 0.000 0.290 263 Q C -0.314 175.724 176.000 0.063 0.000 1.049 263 Q CA 0.421 56.252 55.803 0.047 0.000 0.923 263 Q CB 0.454 29.209 28.738 0.028 0.000 1.183 263 Q HN 0.818 nan 8.270 nan 0.000 0.383 264 S N 3.093 118.822 115.700 0.050 0.000 2.945 264 S HA 0.128 4.598 4.470 -0.001 0.000 0.344 264 S C 0.834 175.470 174.600 0.060 0.000 1.066 264 S CA 0.666 58.900 58.200 0.057 0.000 1.721 264 S CB -0.932 62.286 63.200 0.029 0.000 1.330 264 S HN 0.820 nan 8.310 nan 0.000 0.623 265 G N 1.857 110.721 108.800 0.106 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 53.883 52.037 -0.055 0.000 0.657 266 A CB 0.492 19.466 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 4.816 4.470 -0.001 0.000 0.270 267 S C 0.196 174.510 174.600 -0.477 0.000 1.150 267 S CA -0.314 57.728 58.200 -0.263 0.000 0.850 267 S CB 1.304 64.367 63.200 -0.229 0.000 1.118 267 S HN 0.464 nan 8.310 nan 0.000 0.461 268 N N 0.817 119.371 118.700 -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 0.644 121.039 120.400 -0.008 0.000 2.363 269 D HA 0.012 4.652 4.640 -0.001 0.000 0.226 269 D C 0.009 176.311 176.300 0.003 0.000 1.020 269 D CA 0.621 54.647 54.000 0.045 0.000 0.892 269 D CB -0.250 40.592 40.800 0.070 0.000 0.900 269 D HN 0.463 nan 8.370 nan 0.000 0.531 270 N N -0.588 118.073 118.700 -0.066 0.000 2.200 270 N HA -0.003 4.736 4.740 -0.001 0.000 0.224 270 N C -0.021 175.524 175.510 0.059 0.000 1.179 270 N CA -0.373 52.641 53.050 -0.060 0.000 0.877 270 N CB 0.709 39.108 38.487 -0.145 0.000 1.072 270 N HN 0.059 nan 8.380 nan 0.000 0.519 271 H N 1.312 120.467 119.070 0.141 0.000 2.928 271 H HA 0.026 4.582 4.556 -0.001 0.000 0.338 271 H C -0.469 175.042 175.328 0.306 0.000 1.047 271 H CA 0.652 56.820 56.048 0.200 0.000 1.435 271 H CB 0.173 30.000 29.762 0.108 0.000 1.428 271 H HN 0.291 nan 8.280 nan 0.000 0.590 272 Y N 1.388 121.812 120.300 0.206 0.000 2.656 272 Y HA 0.513 5.062 4.550 -0.001 0.000 0.334 272 Y C -2.158 173.861 175.900 0.198 0.000 1.179 272 Y CA -1.377 56.816 58.100 0.156 0.000 1.050 272 Y CB 1.516 40.024 38.460 0.080 0.000 1.308 272 Y HN 0.382 nan 8.280 nan 0.000 0.456 273 F N 1.146 121.027 119.950 -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 2.087 40.984 39.000 -0.172 0.000 1.250 273 F HN 1.076 nan 8.300 nan 0.000 0.444 274 G N 2.808 111.040 108.800 -0.946 0.000 2.500 274 G HA2 0.451 4.410 3.960 -0.001 0.000 0.299 274 G HA3 0.451 4.410 3.960 -0.001 0.000 0.299 274 G C -2.438 171.802 174.900 -1.100 0.000 1.242 274 G CA -0.598 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 -0.893 119.019 120.300 -0.647 0.000 2.581 275 Y HA 0.755 5.305 4.550 -0.001 0.000 0.345 275 Y C 0.142 175.829 175.900 -0.354 0.000 1.036 275 Y CA -0.768 57.073 58.100 -0.432 0.000 1.042 275 Y CB 2.656 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 1.096 116.828 115.700 0.053 0.000 2.552 276 S HA 0.596 5.066 4.470 -0.001 0.000 0.314 276 S C -0.715 173.932 174.600 0.078 0.000 1.099 276 S CA -0.571 57.638 58.200 0.016 0.000 1.070 276 S CB 0.323 63.518 63.200 -0.009 0.000 0.998 276 S HN 0.701 nan 8.310 nan 0.000 0.474 277 T N 2.338 116.927 114.554 0.058 0.000 2.945 277 T HA 0.601 4.951 4.350 -0.001 0.000 0.286 277 T C -2.536 172.142 174.700 -0.037 0.000 1.025 277 T CA -2.098 59.953 62.100 -0.081 0.000 1.039 277 T CB 1.402 70.422 68.868 0.253 0.000 1.068 277 T HN 0.296 nan 8.240 nan 0.000 0.497 278 P HA 0.194 nan 4.420 nan 0.000 0.249 278 P C -0.863 176.429 177.300 -0.013 0.000 1.241 278 P CA -0.119 62.951 63.100 -0.049 0.000 0.781 278 P CB -0.179 31.446 31.700 -0.125 0.000 1.088 279 W N 0.424 121.733 121.300 0.014 0.000 2.438 279 W HA 0.569 5.229 4.660 -0.001 0.000 0.324 279 W C 1.041 177.580 176.519 0.032 0.000 1.119 279 W CA -0.081 57.292 57.345 0.046 0.000 1.221 279 W CB 0.985 30.468 29.460 0.038 0.000 1.253 279 W HN -0.157 nan 8.180 nan 0.000 0.555 280 G N 1.131 110.060 108.800 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 -1.866 173.082 174.900 0.080 0.000 1.311 280 G CA -0.621 44.508 45.100 0.049 0.000 1.030 280 G HN 0.600 nan 8.290 nan 0.000 0.509 281 Y N -3.094 117.072 120.300 -0.224 0.000 2.624 281 Y HA 0.684 5.233 4.550 -0.001 0.000 0.334 281 Y C -1.828 173.893 175.900 -0.299 0.000 1.155 281 Y CA -2.086 55.865 58.100 -0.248 0.000 1.046 281 Y CB 0.952 39.282 38.460 -0.215 0.000 1.316 281 Y HN 0.389 nan 8.280 nan 0.000 0.457 282 F N 1.949 121.891 119.950 -0.014 0.000 2.404 282 F HA 0.501 5.028 4.527 -0.001 0.000 0.339 282 F C -0.168 175.672 175.800 0.067 0.000 1.105 282 F CA 0.001 58.030 58.000 0.047 0.000 1.087 282 F CB 1.438 40.537 39.000 0.165 0.000 1.143 282 F HN 0.586 nan 8.300 nan 0.000 0.491 283 D N 2.688 123.217 120.400 0.215 0.000 2.780 283 D HA 0.429 5.068 4.640 -0.001 0.000 0.242 283 D C -0.872 175.494 176.300 0.111 0.000 1.135 283 D CA -0.500 53.517 54.000 0.028 0.000 0.859 283 D CB 1.153 41.976 40.800 0.038 0.000 1.530 283 D HN 0.293 nan 8.370 nan 0.000 0.493 284 F N 1.061 121.106 119.950 0.158 0.000 2.608 284 F HA 0.390 4.917 4.527 -0.001 0.000 0.383 284 F C 0.247 176.126 175.800 0.132 0.000 1.371 284 F CA -0.825 57.255 58.000 0.132 0.000 1.123 284 F CB -0.918 38.236 39.000 0.258 0.000 1.207 284 F HN 0.273 nan 8.300 nan 0.000 0.512 285 N N 1.312 119.854 118.700 -0.264 0.000 2.375 285 N HA 0.181 4.920 4.740 -0.001 0.000 0.220 285 N C -0.195 175.108 175.510 -0.345 0.000 1.170 285 N CA -0.096 52.562 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 -0.541 119.857 120.500 -0.170 0.000 2.637 286 R HA 0.223 4.562 4.340 -0.001 0.000 0.291 286 R C 0.077 176.306 176.300 -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 30.972 30.300 -0.476 0.000 1.160 286 R HN 0.121 nan 8.270 nan 0.000 0.457 287 F N 0.906 120.873 119.950 0.028 0.000 2.171 287 F HA -0.169 4.358 4.527 -0.001 0.000 0.300 287 F C 2.253 178.154 175.800 0.170 0.000 1.090 287 F CA 1.621 59.752 58.000 0.218 0.000 1.293 287 F CB -0.066 38.912 39.000 -0.037 0.000 1.013 287 F HN 0.714 nan 8.300 nan 0.000 0.486 288 H N -2.945 116.245 119.070 0.200 0.000 2.563 288 H HA -0.011 4.545 4.556 -0.001 0.000 0.272 288 H C 1.680 177.050 175.328 0.071 0.000 1.005 288 H CA 0.405 56.518 56.048 0.107 0.000 1.171 288 H CB -1.452 28.335 29.762 0.043 0.000 1.351 288 H HN 0.236 nan 8.280 nan 0.000 0.602 289 C N 0.541 119.791 119.300 -0.083 0.000 2.448 289 C HA -0.003 4.457 4.460 -0.001 0.000 0.280 289 C C 1.732 176.479 174.990 -0.404 0.000 1.398 289 C CA 0.851 59.705 59.018 -0.272 0.000 1.774 289 C CB -0.633 26.803 27.740 -0.505 0.000 1.888 289 C HN 0.800 nan 8.230 nan 0.000 0.519 290 H N -2.928 116.241 119.070 0.164 0.000 2.545 290 H HA 0.225 4.780 4.556 -0.001 0.000 0.251 290 H C -0.041 175.212 175.328 -0.125 0.000 0.934 290 H CA 0.152 56.209 56.048 0.016 0.000 1.116 290 H CB -0.111 29.681 29.762 0.050 0.000 1.439 290 H HN 0.312 nan 8.280 nan 0.000 0.445 291 F N 3.497 123.601 119.950 0.257 0.000 2.411 291 F HA 0.210 4.736 4.527 -0.001 0.000 0.355 291 F C 1.106 176.993 175.800 0.144 0.000 1.117 291 F CA -0.805 57.309 58.000 0.190 0.000 1.139 291 F CB 1.082 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 3.941 119.795 115.700 0.258 0.000 2.584 292 S HA 0.219 4.689 4.470 -0.001 0.000 0.270 292 S C -1.860 172.845 174.600 0.175 0.000 1.346 292 S CA -1.013 57.297 58.200 0.184 0.000 1.018 292 S CB 1.217 64.505 63.200 0.147 0.000 0.899 292 S HN 0.360 nan 8.310 nan 0.000 0.542 293 P HA -0.143 nan 4.420 nan 0.000 0.215 293 P C 1.736 179.022 177.300 -0.024 0.000 1.157 293 P CA 1.216 64.217 63.100 -0.165 0.000 0.874 293 P CB -0.058 31.405 31.700 -0.396 0.000 0.790 294 R N 0.398 120.929 120.500 0.051 0.000 2.103 294 R HA -0.164 4.176 4.340 -0.001 0.000 0.242 294 R C 1.774 178.151 176.300 0.127 0.000 1.142 294 R CA 1.999 58.147 56.100 0.080 0.000 0.960 294 R CB -1.657 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 -0.612 119.937 120.400 0.248 0.000 2.097 295 D HA -0.221 4.419 4.640 -0.001 0.000 0.195 295 D C 1.654 178.179 176.300 0.375 0.000 0.989 295 D CA 1.206 55.474 54.000 0.448 0.000 0.827 295 D CB -0.614 40.515 40.800 0.548 0.000 0.966 295 D HN 0.374 nan 8.370 nan 0.000 0.456 296 W N 2.042 123.373 121.300 0.051 0.000 2.325 296 W HA -0.242 4.418 4.660 -0.001 0.000 0.299 296 W C 2.155 178.522 176.519 -0.254 0.000 1.215 296 W CA 1.452 58.666 57.345 -0.217 0.000 1.244 296 W CB -0.096 29.192 29.460 -0.287 0.000 1.140 296 W HN 0.114 nan 8.180 nan 0.000 0.523 297 Q N 0.319 120.069 119.800 -0.083 0.000 2.084 297 Q HA -0.217 4.123 4.340 -0.001 0.000 0.202 297 Q C 2.388 178.255 176.000 -0.220 0.000 0.978 297 Q CA 1.826 57.516 55.803 -0.189 0.000 0.844 297 Q CB -0.198 28.498 28.738 -0.070 0.000 0.898 297 Q HN 0.267 nan 8.270 nan 0.000 0.426 298 R N 0.160 120.544 120.500 -0.194 0.000 2.081 298 R HA -0.125 4.215 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 1.344 57.224 56.100 -0.367 0.000 0.960 298 R CB -0.481 29.415 30.300 -0.674 0.000 0.856 298 R HN 0.330 nan 8.270 nan 0.000 0.436 299 L N 0.785 121.884 121.223 -0.208 0.000 1.976 299 L HA -0.190 4.150 4.340 -0.001 0.000 0.209 299 L C 2.146 178.800 176.870 -0.361 0.000 1.071 299 L CA 1.277 55.985 54.840 -0.220 0.000 0.746 299 L CB -0.197 41.563 42.059 -0.499 0.000 0.890 299 L HN 0.134 nan 8.230 nan 0.000 0.432 300 I N 0.628 120.866 120.570 -0.555 0.000 2.208 300 I HA -0.300 3.870 4.170 -0.001 0.000 0.245 300 I C 1.796 177.781 176.117 -0.220 0.000 1.097 300 I CA 1.461 62.480 61.300 -0.469 0.000 1.363 300 I CB -1.565 36.057 38.000 -0.631 0.000 1.051 300 I HN 0.434 nan 8.210 nan 0.000 0.413 301 N N 0.935 119.506 118.700 -0.216 0.000 2.398 301 N HA -0.025 4.715 4.740 -0.001 0.000 0.188 301 N C 0.873 176.348 175.510 -0.057 0.000 1.122 301 N CA 0.352 53.339 53.050 -0.104 0.000 0.866 301 N CB -0.026 38.392 38.487 -0.115 0.000 0.970 301 N HN 0.452 nan 8.380 nan 0.000 0.462 302 N N -0.235 118.421 118.700 -0.075 0.000 2.113 302 N HA 0.094 4.834 4.740 -0.001 0.000 0.223 302 N C -0.797 174.685 175.510 -0.046 0.000 1.310 302 N CA -0.052 52.948 53.050 -0.083 0.000 0.896 302 N CB 0.916 39.311 38.487 -0.154 0.000 1.097 302 N HN 0.111 nan 8.380 nan 0.000 0.507 303 N N -0.219 118.513 118.700 0.053 0.000 2.346 303 N HA 0.146 4.886 4.740 -0.001 0.000 0.289 303 N C 0.278 175.999 175.510 0.352 0.000 1.027 303 N CA -0.434 52.692 53.050 0.128 0.000 0.864 303 N CB 1.681 40.251 38.487 0.138 0.000 1.370 303 N HN 0.119 nan 8.380 nan 0.000 0.481 304 W N 1.998 123.285 121.300 -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 0.230 57.549 57.345 -0.044 0.000 1.211 304 W CB 0.396 29.742 29.460 -0.190 0.000 1.131 304 W HN 0.615 nan 8.180 nan 0.000 0.552 305 G N -1.612 107.379 108.800 0.318 0.000 2.430 305 G HA2 0.433 4.392 3.960 -0.001 0.000 0.300 305 G HA3 0.433 4.392 3.960 -0.001 0.000 0.300 305 G C -1.780 173.474 174.900 0.590 0.000 1.330 305 G CA -0.572 44.744 45.100 0.359 0.000 0.813 305 G HN 0.128 nan 8.290 nan 0.000 0.487 306 F N -1.408 118.963 119.950 0.702 0.000 2.858 306 F HA 0.931 5.457 4.527 -0.001 0.000 0.319 306 F C -0.887 175.312 175.800 0.666 0.000 1.166 306 F CA -1.136 57.312 58.000 0.746 0.000 0.899 306 F CB 1.436 40.678 39.000 0.403 0.000 1.332 306 F HN 0.997 nan 8.300 nan 0.000 0.461 307 R N -0.038 120.786 120.500 0.540 0.000 2.728 307 R HA 0.725 5.065 4.340 -0.001 0.000 0.274 307 R C -3.642 172.628 176.300 -0.051 0.000 1.032 307 R CA -1.854 54.206 56.100 -0.066 0.000 0.866 307 R CB 1.744 31.721 30.300 -0.537 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 -1.224 0.000 0.811 308 P CB 1.223 31.595 31.700 -2.213 0.000 1.035 309 K N 0.534 120.534 120.400 -0.667 0.000 2.524 309 K HA 0.288 4.608 4.320 -0.001 0.000 0.210 309 K C 0.380 176.967 176.600 -0.022 0.000 1.340 309 K CA 0.807 56.940 56.287 -0.258 0.000 0.880 309 K CB 0.287 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 0.220 120.580 120.400 -0.068 0.000 2.378 310 K HA 0.566 4.886 4.320 -0.001 0.000 0.244 310 K C -1.341 175.291 176.600 0.053 0.000 1.039 310 K CA -0.954 55.323 56.287 -0.017 0.000 0.863 310 K CB 1.982 34.416 32.500 -0.110 0.000 1.326 310 K HN -0.072 nan 8.250 nan 0.000 0.460 311 L N -0.290 120.936 121.223 0.005 0.000 2.565 311 L HA 0.395 4.735 4.340 -0.001 0.000 0.261 311 L C -1.851 174.986 176.870 -0.056 0.000 0.932 311 L CA 0.028 54.883 54.840 0.025 0.000 0.878 311 L CB 2.422 44.564 42.059 0.139 0.000 1.333 311 L HN 0.513 nan 8.230 nan 0.000 0.409 312 S N 4.499 120.175 115.700 -0.041 0.000 2.605 312 S HA 0.653 5.123 4.470 -0.001 0.000 0.308 312 S C -1.245 173.393 174.600 0.064 0.000 1.113 312 S CA -0.287 57.889 58.200 -0.040 0.000 1.049 312 S CB 1.012 64.153 63.200 -0.097 0.000 1.001 312 S HN 0.496 nan 8.310 nan 0.000 0.480 313 F N 3.412 123.371 119.950 0.014 0.000 2.469 313 F HA 0.687 5.213 4.527 -0.001 0.000 0.332 313 F C -0.278 175.592 175.800 0.117 0.000 1.103 313 F CA -0.487 57.572 58.000 0.098 0.000 0.979 313 F CB 0.984 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 7.286 127.312 120.400 -0.623 0.000 2.535 314 K HA 0.533 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 -0.606 55.547 56.287 -0.224 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 5.868 127.159 121.223 0.113 0.000 2.346 315 L HA 0.699 5.038 4.340 -0.001 0.000 0.276 315 L C -0.742 176.383 176.870 0.426 0.000 1.006 315 L CA -0.875 54.053 54.840 0.146 0.000 0.817 315 L CB 0.990 43.122 42.059 0.122 0.000 1.272 315 L HN 0.704 nan 8.230 nan 0.000 0.421 316 F N -0.637 119.416 119.950 0.172 0.000 2.877 316 F HA 0.367 4.893 4.527 -0.001 0.000 0.319 316 F C -0.165 175.705 175.800 0.116 0.000 1.174 316 F CA -1.468 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 0.576 119.430 118.700 0.257 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 0.520 53.632 53.050 0.103 0.000 0.742 317 N CB -1.069 37.483 38.487 0.109 0.000 0.906 317 N HN 0.488 nan 8.380 nan 0.000 0.541 318 I N 0.904 121.491 120.570 0.029 0.000 2.474 318 I HA 0.094 4.264 4.170 -0.001 0.000 0.287 318 I C 0.490 176.573 176.117 -0.057 0.000 1.048 318 I CA 0.119 61.416 61.300 -0.005 0.000 1.383 318 I CB 0.895 38.971 38.000 0.126 0.000 1.412 318 I HN 0.137 nan 8.210 nan 0.000 0.531 319 Q N 5.434 125.150 119.800 -0.140 0.000 2.285 319 Q HA 0.510 4.850 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 -0.760 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 3.337 123.158 119.914 -0.155 0.000 2.347 320 V HA 0.354 4.473 4.120 -0.001 0.000 0.280 320 V C -0.324 175.623 176.094 -0.246 0.000 1.021 320 V CA -0.633 61.553 62.300 -0.191 0.000 0.847 320 V CB 1.160 32.926 31.823 -0.095 0.000 0.990 320 V HN 0.545 nan 8.190 nan 0.000 0.444 321 K N 4.202 124.335 120.400 -0.444 0.000 2.244 321 K HA 0.563 4.882 4.320 -0.001 0.000 0.260 321 K C -0.350 176.115 176.600 -0.225 0.000 0.951 321 K CA -0.605 55.445 56.287 -0.396 0.000 0.826 321 K CB 2.524 34.640 32.500 -0.640 0.000 1.108 321 K HN 0.892 nan 8.250 nan 0.000 0.433 322 E N 0.285 120.452 120.200 -0.055 0.000 2.183 322 E HA 0.495 4.845 4.350 -0.001 0.000 0.271 322 E C -0.860 175.788 176.600 0.079 0.000 0.919 322 E CA -1.010 55.411 56.400 0.036 0.000 0.781 322 E CB 1.980 31.697 29.700 0.029 0.000 1.140 322 E HN 0.134 nan 8.360 nan 0.000 0.402 323 V N 2.330 122.311 119.914 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 2.111 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 2.810 117.389 114.554 0.043 0.000 2.928 324 T HA 0.578 4.928 4.350 -0.001 0.000 0.296 324 T C -0.924 173.789 174.700 0.022 0.000 1.000 324 T CA -0.672 61.448 62.100 0.033 0.000 0.989 324 T CB 1.574 70.461 68.868 0.031 0.000 1.005 324 T HN 0.602 nan 8.240 nan 0.000 0.442 325 Q N 2.952 122.762 119.800 0.017 0.000 2.503 325 Q HA 0.394 4.734 4.340 -0.001 0.000 0.227 325 Q C 0.861 176.866 176.000 0.010 0.000 1.109 325 Q CA -0.484 55.325 55.803 0.010 0.000 0.922 325 Q CB 0.536 29.277 28.738 0.005 0.000 1.249 325 Q HN 0.544 nan 8.270 nan 0.000 0.530 326 N N 1.139 119.845 118.700 0.009 0.000 2.132 326 N HA -0.076 4.663 4.740 -0.001 0.000 0.187 326 N C 0.097 175.610 175.510 0.005 0.000 1.038 326 N CA 1.243 54.298 53.050 0.009 0.000 0.846 326 N CB 0.416 38.909 38.487 0.009 0.000 1.012 326 N HN 0.445 nan 8.380 nan 0.000 0.429 327 D N -1.625 118.777 120.400 0.004 0.000 3.051 327 D HA 0.227 4.866 4.640 -0.001 0.000 0.216 327 D C 1.041 177.341 176.300 -0.000 0.000 1.454 327 D CA 0.492 54.493 54.000 0.002 0.000 1.400 327 D CB -0.479 40.322 40.800 0.001 0.000 0.975 327 D HN 0.226 nan 8.370 nan 0.000 0.212 328 G N -0.195 108.605 108.800 -0.001 0.000 3.839 328 G HA2 0.262 4.222 3.960 -0.001 0.000 0.286 328 G HA3 0.262 4.222 3.960 -0.001 0.000 0.286 328 G C -0.215 174.683 174.900 -0.004 0.000 1.005 328 G CA 0.110 45.208 45.100 -0.003 0.000 0.824 328 G HN 0.241 nan 8.290 nan 0.000 0.489 329 T N 0.691 115.244 114.554 -0.002 0.000 2.881 329 T HA 0.525 4.875 4.350 -0.001 0.000 0.290 329 T C -0.326 174.374 174.700 0.000 0.000 1.000 329 T CA -0.270 61.829 62.100 -0.002 0.000 0.978 329 T CB 1.360 70.228 68.868 -0.001 0.000 0.997 329 T HN 0.111 nan 8.240 nan 0.000 0.443 330 T N 2.223 116.776 114.554 -0.002 0.000 2.738 330 T HA 0.533 4.883 4.350 -0.001 0.000 0.298 330 T C 0.414 175.118 174.700 0.008 0.000 0.962 330 T CA -0.800 61.301 62.100 0.001 0.000 0.972 330 T CB 0.264 69.128 68.868 -0.007 0.000 0.928 330 T HN 0.714 nan 8.240 nan 0.000 0.474 331 T N 1.999 116.562 114.554 0.015 0.000 2.837 331 T HA 0.663 5.013 4.350 -0.001 0.000 0.285 331 T C 0.003 174.723 174.700 0.034 0.000 0.984 331 T CA -0.940 61.171 62.100 0.020 0.000 1.049 331 T CB 0.500 69.378 68.868 0.017 0.000 0.947 331 T HN 0.645 nan 8.240 nan 0.000 0.472 332 I N 2.168 122.763 120.570 0.041 0.000 2.406 332 I HA 0.669 4.839 4.170 -0.001 0.000 0.290 332 I C 0.161 176.301 176.117 0.039 0.000 0.999 332 I CA -1.038 60.301 61.300 0.066 0.000 1.124 332 I CB 1.553 39.618 38.000 0.109 0.000 1.289 332 I HN 0.914 nan 8.210 nan 0.000 0.441 333 A N 5.328 128.164 122.820 0.026 0.000 2.479 333 A HA 0.626 4.946 4.320 -0.001 0.000 0.296 333 A C -0.892 176.679 177.584 -0.022 0.000 1.121 333 A CA -0.818 51.221 52.037 0.003 0.000 0.743 333 A CB 1.342 20.346 19.000 0.007 0.000 1.323 333 A HN 0.636 nan 8.150 nan 0.000 0.415 334 N N 1.980 120.663 118.700 -0.028 0.000 2.470 334 N HA 0.127 4.866 4.740 -0.001 0.000 0.268 334 N C -0.981 174.509 175.510 -0.034 0.000 1.136 334 N CA 0.173 53.196 53.050 -0.044 0.000 0.961 334 N CB 0.760 39.226 38.487 -0.036 0.000 1.067 334 N HN 0.590 nan 8.380 nan 0.000 0.468 335 N N 3.421 122.093 118.700 -0.046 0.000 2.699 335 N HA 0.204 4.944 4.740 -0.001 0.000 0.232 335 N C 0.899 176.392 175.510 -0.028 0.000 1.027 335 N CA -0.285 52.748 53.050 -0.029 0.000 0.920 335 N CB 0.330 38.802 38.487 -0.025 0.000 1.148 335 N HN 0.453 nan 8.380 nan 0.000 0.509 336 L N 0.988 122.201 121.223 -0.017 0.000 2.156 336 L HA -0.066 4.274 4.340 -0.001 0.000 0.208 336 L C 1.986 178.854 176.870 -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 41.602 42.059 -0.007 0.000 0.914 336 L HN 0.529 nan 8.230 nan 0.000 0.439 337 T N -4.376 110.177 114.554 -0.001 0.000 3.148 337 T HA 0.011 4.361 4.350 -0.001 0.000 0.253 337 T C 0.967 175.668 174.700 0.003 0.000 1.134 337 T CA -0.059 62.043 62.100 0.004 0.000 1.051 337 T CB 0.038 68.910 68.868 0.005 0.000 0.959 337 T HN 0.094 nan 8.240 nan 0.000 0.525 338 S N 1.949 117.647 115.700 -0.003 0.000 2.601 338 S HA 0.521 4.991 4.470 -0.001 0.000 0.271 338 S C 0.416 175.017 174.600 0.001 0.000 1.305 338 S CA -0.420 57.776 58.200 -0.006 0.000 1.022 338 S CB 0.703 63.894 63.200 -0.016 0.000 0.940 338 S HN 0.744 nan 8.310 nan 0.000 0.525 339 T N 0.227 114.781 114.554 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 1.327 70.206 68.868 0.019 0.000 1.200 339 T HN 0.609 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 4.642 4.120 -0.001 0.000 0.306 340 V C -1.793 174.324 176.094 0.038 0.000 1.187 340 V CA -0.789 61.525 62.300 0.024 0.000 0.999 340 V CB 2.404 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 3.485 123.288 119.800 0.005 0.000 2.331 341 Q HA 0.764 5.104 4.340 -0.001 0.000 0.267 341 Q C -1.453 174.669 176.000 0.203 0.000 1.006 341 Q CA -0.636 55.234 55.803 0.112 0.000 0.818 341 Q CB 2.560 31.383 28.738 0.141 0.000 1.276 341 Q HN 0.552 nan 8.270 nan 0.000 0.450 342 V N 3.368 123.380 119.914 0.163 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 1.322 32.814 31.823 -0.553 0.000 1.013 342 V HN 0.790 nan 8.190 nan 0.000 0.430 343 F N 0.327 120.126 119.950 -0.250 0.000 2.817 343 F HA 0.806 5.332 4.527 -0.001 0.000 0.317 343 F C -0.900 174.705 175.800 -0.325 0.000 1.168 343 F CA -0.686 57.188 58.000 -0.209 0.000 0.911 343 F CB 1.983 40.899 39.000 -0.139 0.000 1.337 343 F HN 0.470 nan 8.300 nan 0.000 0.464 344 T N 0.680 115.092 114.554 -0.238 0.000 2.841 344 T HA 0.286 4.635 4.350 -0.001 0.000 0.285 344 T C -1.532 172.994 174.700 -0.290 0.000 0.991 344 T CA -0.410 61.391 62.100 -0.500 0.000 0.966 344 T CB 0.909 69.371 68.868 -0.677 0.000 0.962 344 T HN 0.835 nan 8.240 nan 0.000 0.438 345 D N 3.380 123.520 120.400 -0.433 0.000 2.498 345 D HA 0.249 4.889 4.640 -0.001 0.000 0.229 345 D C 0.858 176.915 176.300 -0.405 0.000 1.188 345 D CA 0.109 53.924 54.000 -0.309 0.000 1.028 345 D CB 0.063 40.647 40.800 -0.361 0.000 1.087 345 D HN 0.428 nan 8.370 nan 0.000 0.510 346 S N 2.018 117.536 115.700 -0.303 0.000 2.501 346 S HA 0.007 4.477 4.470 -0.001 0.000 0.220 346 S C 1.251 175.564 174.600 -0.478 0.000 0.997 346 S CA 0.067 58.038 58.200 -0.382 0.000 0.919 346 S CB 0.230 63.374 63.200 -0.093 0.000 0.778 346 S HN 0.536 nan 8.310 nan 0.000 0.523 347 E N 0.293 120.329 120.200 -0.274 0.000 2.474 347 E HA 0.129 4.478 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 0.538 nan 8.360 nan 0.000 0.486 348 Y N 0.513 120.830 120.300 0.027 0.000 3.078 348 Y HA -0.296 4.253 4.550 -0.001 0.000 0.202 348 Y C 1.050 176.936 175.900 -0.024 0.000 1.322 348 Y CA 0.319 58.413 58.100 -0.010 0.000 1.118 348 Y CB -2.419 36.028 38.460 -0.022 0.000 1.343 348 Y HN 0.205 nan 8.280 nan 0.000 0.499 349 Q N -0.109 119.735 119.800 0.073 0.000 2.396 349 Q HA 0.260 4.599 4.340 -0.001 0.000 0.209 349 Q C 0.374 176.293 176.000 -0.135 0.000 0.906 349 Q CA 0.183 56.016 55.803 0.051 0.000 0.927 349 Q CB 0.592 29.433 28.738 0.170 0.000 1.069 349 Q HN 0.551 nan 8.270 nan 0.000 0.523 350 L N 1.869 122.977 121.223 -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 -2.421 52.167 54.840 -0.418 0.000 0.804 350 L CB 0.964 42.752 42.059 -0.451 0.000 1.200 350 L HN -0.183 nan 8.230 nan 0.000 0.436 351 P HA -0.120 nan 4.420 nan 0.000 0.260 351 P C -1.077 176.263 177.300 0.067 0.000 1.185 351 P CA 0.165 63.217 63.100 -0.079 0.000 0.763 351 P CB -0.018 31.635 31.700 -0.080 0.000 0.776 352 Y N 4.150 124.445 120.300 -0.008 0.000 2.584 352 Y HA 0.118 4.668 4.550 -0.001 0.000 0.351 352 Y C 1.210 177.119 175.900 0.015 0.000 1.030 352 Y CA 0.288 58.394 58.100 0.011 0.000 1.332 352 Y CB 0.365 38.850 38.460 0.041 0.000 1.148 352 Y HN 0.150 nan 8.280 nan 0.000 0.528 353 V N 7.064 126.807 119.914 -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 -0.308 0.000 1.346 353 V CA 0.303 62.454 62.300 -0.248 0.000 1.104 353 V CB -0.611 31.018 31.823 -0.323 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 4.909 4.340 -0.001 0.000 0.249 354 L C 1.571 178.346 176.870 -0.158 0.000 1.151 354 L CA 0.297 54.887 54.840 -0.417 0.000 0.806 354 L CB -0.076 41.613 42.059 -0.617 0.000 1.261 354 L HN 0.282 nan 8.230 nan 0.000 0.484 355 G N 0.155 108.874 108.800 -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 45.583 45.100 -0.070 0.000 0.784 355 G HN 0.528 nan 8.290 nan 0.000 0.507 356 S N -0.499 115.200 115.700 -0.002 0.000 2.754 356 S HA 0.578 5.048 4.470 -0.001 0.000 0.247 356 S C 1.481 175.936 174.600 -0.242 0.000 1.031 356 S CA 0.982 59.133 58.200 -0.081 0.000 1.014 356 S CB 0.646 63.827 63.200 -0.031 0.000 0.918 356 S HN 2.145 nan 8.310 nan 0.000 0.519 357 A N 1.597 124.349 122.820 -0.114 0.000 2.816 357 A HA -0.220 4.100 4.320 -0.001 0.000 0.270 357 A C 0.420 177.949 177.584 -0.092 0.000 1.413 357 A CA 0.898 52.888 52.037 -0.079 0.000 0.866 357 A CB -2.277 16.684 19.000 -0.064 0.000 1.032 357 A HN 0.668 nan 8.150 nan 0.000 0.642 358 H N -0.117 118.956 119.070 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 0.928 56.990 56.048 0.023 0.000 1.463 358 H CB 0.290 30.076 29.762 0.040 0.000 1.514 358 H HN 0.744 nan 8.280 nan 0.000 0.619 359 Q N -1.191 118.727 119.800 0.196 0.000 2.180 359 Q HA 0.403 4.743 4.340 -0.001 0.000 0.241 359 Q C 0.541 176.598 176.000 0.095 0.000 0.970 359 Q CA -0.232 55.647 55.803 0.126 0.000 0.919 359 Q CB 1.624 30.426 28.738 0.106 0.000 1.222 359 Q HN 0.958 nan 8.270 nan 0.000 0.482 360 G N -0.420 108.426 108.800 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 0.111 175.009 174.900 -0.003 0.000 0.998 360 G CA -0.347 44.787 45.100 0.056 0.000 0.668 360 G HN 0.575 nan 8.290 nan 0.000 0.516 361 C N 0.247 119.536 119.300 -0.019 0.000 2.641 361 C HA 0.613 5.073 4.460 -0.001 0.000 0.318 361 C C 1.597 176.408 174.990 -0.298 0.000 1.490 361 C CA -0.652 58.312 59.018 -0.091 0.000 2.260 361 C CB -0.015 27.706 27.740 -0.031 0.000 2.103 361 C HN 0.495 nan 8.230 nan 0.000 0.641 362 L N 2.384 123.425 121.223 -0.303 0.000 2.410 362 L HA 0.215 4.555 4.340 -0.001 0.000 0.273 362 L C -2.077 174.725 176.870 -0.114 0.000 1.152 362 L CA -1.107 53.472 54.840 -0.435 0.000 0.855 362 L CB -0.097 41.823 42.059 -0.232 0.000 1.129 362 L HN 0.386 nan 8.230 nan 0.000 0.463 363 P HA 0.024 nan 4.420 nan 0.000 0.262 363 P C -2.001 175.382 177.300 0.138 0.000 1.182 363 P CA -0.856 62.308 63.100 0.106 0.000 0.761 363 P CB 0.184 31.982 31.700 0.163 0.000 0.795 364 P HA -0.151 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 1.248 64.411 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 -0.201 119.590 119.950 -0.264 0.000 2.411 365 F HA 0.286 4.813 4.527 -0.001 0.000 0.350 365 F C -1.698 174.056 175.800 -0.077 0.000 1.114 365 F CA -3.001 54.773 58.000 -0.376 0.000 1.135 365 F CB 1.049 39.742 39.000 -0.512 0.000 1.120 365 F HN -0.110 nan 8.300 nan 0.000 0.495 366 P HA -0.150 nan 4.420 nan 0.000 0.218 366 P C 1.000 178.274 177.300 -0.044 0.000 1.148 366 P CA 1.756 64.765 63.100 -0.151 0.000 0.822 366 P CB 0.092 31.704 31.700 -0.145 0.000 0.784 367 A N -1.037 121.610 122.820 -0.287 0.000 2.119 367 A HA -0.054 4.265 4.320 -0.001 0.000 0.217 367 A C 0.658 178.351 177.584 0.182 0.000 1.153 367 A CA 0.725 52.760 52.037 -0.004 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 0.160 120.713 120.400 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 0.141 54.299 54.000 0.263 0.000 0.876 368 D CB 1.386 42.354 40.800 0.280 0.000 1.160 368 D HN -0.020 nan 8.370 nan 0.000 0.459 369 V N 3.269 123.323 119.914 0.235 0.000 2.686 369 V HA 0.423 4.543 4.120 -0.001 0.000 0.295 369 V C 0.090 176.370 176.094 0.309 0.000 1.057 369 V CA -0.485 61.962 62.300 0.246 0.000 1.012 369 V CB 0.506 32.399 31.823 0.117 0.000 1.006 369 V HN 0.423 nan 8.190 nan 0.000 0.477 370 F N 2.527 122.566 119.950 0.149 0.000 2.593 370 F HA 0.777 5.304 4.527 -0.001 0.000 0.320 370 F C -0.457 175.423 175.800 0.134 0.000 1.060 370 F CA -1.349 56.732 58.000 0.134 0.000 0.940 370 F CB 1.941 41.027 39.000 0.143 0.000 1.268 370 F HN 0.446 nan 8.300 nan 0.000 0.475 371 M N 3.283 122.923 119.600 0.066 0.000 2.264 371 M HA 0.525 5.005 4.480 -0.001 0.000 0.352 371 M C -1.338 174.960 176.300 -0.003 0.000 1.173 371 M CA -0.850 54.427 55.300 -0.039 0.000 1.075 371 M CB 1.537 34.163 32.600 0.044 0.000 1.621 371 M HN 0.611 nan 8.290 nan 0.000 0.457 372 V N 7.364 127.202 119.914 -0.128 0.000 2.508 372 V HA 0.249 4.368 4.120 -0.001 0.000 0.281 372 V C -2.056 173.962 176.094 -0.126 0.000 1.041 372 V CA -1.266 60.925 62.300 -0.181 0.000 1.016 372 V CB 0.454 32.031 31.823 -0.411 0.000 0.984 372 V HN 0.758 nan 8.190 nan 0.000 0.478 373 P HA 0.100 nan 4.420 nan 0.000 0.269 373 P C -0.575 176.424 177.300 -0.500 0.000 1.215 373 P CA -0.144 62.706 63.100 -0.416 0.000 0.780 373 P CB 0.470 31.734 31.700 -0.726 0.000 0.898 374 Q N 1.279 120.759 119.800 -0.533 0.000 2.230 374 Q HA 0.239 4.578 4.340 -0.001 0.000 0.248 374 Q C -1.314 174.698 176.000 0.019 0.000 0.915 374 Q CA -0.704 54.708 55.803 -0.651 0.000 0.900 374 Q CB 0.495 28.483 28.738 -1.250 0.000 1.229 374 Q HN 0.376 nan 8.270 nan 0.000 0.439 375 Y N 1.476 121.776 120.300 -0.000 0.000 2.327 375 Y HA 0.581 5.131 4.550 -0.001 0.000 0.336 375 Y C -0.297 175.604 175.900 0.003 0.000 1.035 375 Y CA 0.140 58.258 58.100 0.031 0.000 1.165 375 Y CB 1.221 39.708 38.460 0.044 0.000 1.181 375 Y HN 0.639 nan 8.280 nan 0.000 0.494 376 G N 5.071 113.507 108.800 -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 -0.824 43.992 45.100 -0.473 0.000 0.920 376 G HN 0.743 nan 8.290 nan 0.000 0.492 377 Y N -1.064 119.034 120.300 -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 -1.694 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 2.010 123.367 121.223 0.224 0.000 2.334 378 L HA 0.732 5.072 4.340 -0.001 0.000 0.273 378 L C -0.221 176.859 176.870 0.350 0.000 1.013 378 L CA -0.608 54.360 54.840 0.214 0.000 0.816 378 L CB 2.405 44.586 42.059 0.202 0.000 1.278 378 L HN 0.965 nan 8.230 nan 0.000 0.431 379 T N 0.349 115.106 114.554 0.340 0.000 2.688 379 T HA 0.451 4.801 4.350 -0.001 0.000 0.249 379 T C -0.889 173.990 174.700 0.299 0.000 0.944 379 T CA -0.682 61.648 62.100 0.383 0.000 1.058 379 T CB 0.883 70.033 68.868 0.470 0.000 1.673 379 T HN 0.118 nan 8.240 nan 0.000 0.565 380 L N 2.977 124.359 121.223 0.265 0.000 2.350 380 L HA 0.578 4.917 4.340 -0.001 0.000 0.275 380 L C -0.576 176.384 176.870 0.149 0.000 1.099 380 L CA -0.365 54.586 54.840 0.185 0.000 0.808 380 L CB 0.127 42.272 42.059 0.143 0.000 1.149 380 L HN 0.910 nan 8.230 nan 0.000 0.442 381 N N 1.285 120.051 118.700 0.110 0.000 2.331 381 N HA 0.328 5.068 4.740 -0.001 0.000 0.280 381 N C -1.378 174.138 175.510 0.010 0.000 1.155 381 N CA -0.735 52.341 53.050 0.043 0.000 0.822 381 N CB 0.944 39.504 38.487 0.122 0.000 1.619 381 N HN 0.363 nan 8.380 nan 0.000 0.476 382 N N 1.099 119.760 118.700 -0.064 0.000 2.816 382 N HA 0.436 5.175 4.740 -0.001 0.000 0.236 382 N C 0.637 176.068 175.510 -0.133 0.000 1.076 382 N CA 0.987 53.995 53.050 -0.068 0.000 0.902 382 N CB 0.049 38.490 38.487 -0.076 0.000 1.149 382 N HN 1.029 nan 8.380 nan 0.000 0.506 383 G N 2.342 111.057 108.800 -0.141 0.000 2.523 383 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.271 383 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.271 383 G C 0.790 175.483 174.900 -0.346 0.000 1.146 383 G CA 0.522 45.368 45.100 -0.423 0.000 0.961 383 G HN 0.778 nan 8.290 nan 0.000 0.549 384 S N 0.258 115.713 115.700 -0.408 0.000 2.528 384 S HA 0.302 4.772 4.470 -0.001 0.000 0.219 384 S C 1.073 175.603 174.600 -0.117 0.000 0.985 384 S CA 1.299 59.441 58.200 -0.098 0.000 0.914 384 S CB 0.236 63.430 63.200 -0.010 0.000 0.776 384 S HN 0.757 nan 8.310 nan 0.000 0.526 385 Q N 0.584 120.257 119.800 -0.211 0.000 2.237 385 Q HA 0.718 5.058 4.340 -0.001 0.000 0.219 385 Q C -0.320 175.390 176.000 -0.483 0.000 0.999 385 Q CA -0.412 55.203 55.803 -0.313 0.000 0.959 385 Q CB 1.172 29.773 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 -0.689 176.708 177.584 -0.312 0.000 1.140 386 A CA -0.605 51.022 52.037 -0.684 0.000 0.826 386 A CB 1.000 19.251 19.000 -1.248 0.000 1.332 386 A HN 0.465 nan 8.150 nan 0.000 0.457 387 V N -0.463 119.347 119.914 -0.173 0.000 3.406 387 V HA 0.531 4.650 4.120 -0.001 0.000 0.305 387 V C 1.771 177.834 176.094 -0.052 0.000 1.136 387 V CA 0.315 62.565 62.300 -0.083 0.000 1.011 387 V CB 1.250 33.058 31.823 -0.026 0.000 1.221 387 V HN 1.131 nan 8.190 nan 0.000 0.454 388 G N -0.433 108.353 108.800 -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 45.078 45.100 -0.006 0.000 0.793 388 G HN 0.576 nan 8.290 nan 0.000 0.539 389 R N 0.901 121.420 120.500 0.031 0.000 2.363 389 R HA 0.214 4.554 4.340 -0.001 0.000 0.236 389 R C 0.085 176.435 176.300 0.083 0.000 0.966 389 R CA -0.176 55.955 56.100 0.052 0.000 1.100 389 R CB 0.196 30.528 30.300 0.054 0.000 1.125 389 R HN 0.133 nan 8.270 nan 0.000 0.514 390 S N 0.360 116.117 115.700 0.095 0.000 2.584 390 S HA 0.219 4.689 4.470 -0.001 0.000 0.273 390 S C 0.070 174.766 174.600 0.160 0.000 1.311 390 S CA -0.281 58.019 58.200 0.168 0.000 1.034 390 S CB 1.711 65.039 63.200 0.213 0.000 0.939 390 S HN 0.060 nan 8.310 nan 0.000 0.513 391 S N 2.310 118.114 115.700 0.174 0.000 2.437 391 S HA 0.518 4.988 4.470 -0.001 0.000 0.305 391 S C -0.922 173.623 174.600 -0.091 0.000 1.109 391 S CA -0.550 57.610 58.200 -0.066 0.000 1.099 391 S CB 0.481 63.569 63.200 -0.187 0.000 1.004 391 S HN 0.556 nan 8.310 nan 0.000 0.475 392 F N 4.037 123.741 119.950 -0.411 0.000 2.427 392 F HA 0.561 5.088 4.527 -0.001 0.000 0.346 392 F C -1.486 173.998 175.800 -0.526 0.000 1.120 392 F CA -1.461 56.293 58.000 -0.411 0.000 1.033 392 F CB 0.445 39.201 39.000 -0.407 0.000 1.126 392 F HN 0.520 nan 8.300 nan 0.000 0.462 393 Y N 5.533 125.538 120.300 -0.491 0.000 2.328 393 Y HA 0.401 4.951 4.550 -0.001 0.000 0.333 393 Y C -0.070 175.456 175.900 -0.624 0.000 0.958 393 Y CA -0.858 56.961 58.100 -0.467 0.000 1.167 393 Y CB 1.407 39.675 38.460 -0.321 0.000 1.151 393 Y HN 0.715 nan 8.280 nan 0.000 0.470 394 C N 5.787 124.816 119.300 -0.451 0.000 2.307 394 C HA 0.402 4.861 4.460 -0.001 0.000 0.340 394 C C 0.993 176.050 174.990 0.112 0.000 1.275 394 C CA -0.577 58.221 59.018 -0.366 0.000 1.811 394 C CB -0.805 26.665 27.740 -0.450 0.000 2.372 394 C HN 0.981 nan 8.230 nan 0.000 0.531 395 L N 4.412 125.760 121.223 0.209 0.000 2.554 395 L HA 0.149 4.489 4.340 -0.001 0.000 0.226 395 L C 2.261 179.186 176.870 0.092 0.000 1.137 395 L CA 1.257 56.083 54.840 -0.023 0.000 0.863 395 L CB -0.440 41.162 42.059 -0.762 0.000 0.985 395 L HN 0.690 nan 8.230 nan 0.000 0.451 396 E N -1.549 118.852 120.200 0.335 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 0.499 57.096 56.400 0.327 0.000 0.865 396 E CB -0.094 29.811 29.700 0.342 0.000 0.833 396 E HN 0.544 nan 8.360 nan 0.000 0.510 397 Y N -0.134 120.159 120.300 -0.011 0.000 2.495 397 Y HA 0.120 4.670 4.550 -0.001 0.000 0.293 397 Y C -0.396 175.273 175.900 -0.386 0.000 1.186 397 Y CA -0.320 57.677 58.100 -0.172 0.000 1.266 397 Y CB -0.007 38.318 38.460 -0.226 0.000 1.101 397 Y HN -0.229 nan 8.280 nan 0.000 0.517 398 F N 0.998 120.699 119.950 -0.415 0.000 2.495 398 F HA 0.433 4.960 4.527 -0.001 0.000 0.327 398 F C -2.171 173.285 175.800 -0.573 0.000 1.103 398 F CA -3.139 54.470 58.000 -0.651 0.000 0.949 398 F CB 0.902 39.168 39.000 -1.224 0.000 1.142 398 F HN -0.058 nan 8.300 nan 0.000 0.457 399 P HA 0.162 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 62.954 63.100 -0.156 0.000 0.763 399 P CB 0.568 32.200 31.700 -0.114 0.000 0.806 400 S N 1.697 117.393 115.700 -0.007 0.000 2.548 400 S HA 0.396 4.866 4.470 -0.001 0.000 0.286 400 S C -0.828 173.875 174.600 0.172 0.000 1.098 400 S CA -1.036 57.249 58.200 0.142 0.000 0.930 400 S CB 1.619 64.977 63.200 0.263 0.000 1.070 400 S HN 0.440 nan 8.310 nan 0.000 0.480 401 Q N 1.876 121.810 119.800 0.223 0.000 2.288 401 Q HA 0.391 4.731 4.340 -0.001 0.000 0.258 401 Q C -0.957 175.150 176.000 0.177 0.000 0.957 401 Q CA -0.169 55.761 55.803 0.211 0.000 0.919 401 Q CB 0.507 29.434 28.738 0.314 0.000 1.185 401 Q HN 0.719 nan 8.270 nan 0.000 0.408 402 M N 4.484 124.167 119.600 0.138 0.000 2.209 402 M HA 0.330 4.810 4.480 -0.001 0.000 0.355 402 M C -1.220 175.147 176.300 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 2.844 124.131 121.223 0.107 0.000 2.362 403 L HA 0.592 4.931 4.340 -0.001 0.000 0.275 403 L C -0.137 176.785 176.870 0.088 0.000 0.998 403 L CA -0.336 54.573 54.840 0.115 0.000 0.820 403 L CB 1.705 43.856 42.059 0.154 0.000 1.270 403 L HN 0.598 nan 8.230 nan 0.000 0.415 404 R N -0.036 120.510 120.500 0.076 0.000 2.602 404 R HA 0.656 4.996 4.340 -0.001 0.000 0.237 404 R C -0.471 175.866 176.300 0.061 0.000 1.219 404 R CA -0.543 55.590 56.100 0.055 0.000 1.121 404 R CB 0.958 31.283 30.300 0.042 0.000 1.408 404 R HN 0.621 nan 8.270 nan 0.000 0.559 405 T N 0.626 115.204 114.554 0.040 0.000 2.817 405 T HA 0.339 4.689 4.350 -0.001 0.000 0.295 405 T C 0.808 175.537 174.700 0.048 0.000 0.958 405 T CA 0.982 63.104 62.100 0.038 0.000 1.157 405 T CB 0.634 69.509 68.868 0.012 0.000 0.898 405 T HN 0.772 nan 8.240 nan 0.000 0.536 406 G N 3.713 112.554 108.800 0.067 0.000 2.218 406 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.216 406 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.216 406 G C 0.209 175.160 174.900 0.084 0.000 0.994 406 G CA -0.680 44.462 45.100 0.069 0.000 0.637 406 G HN 0.600 nan 8.290 nan 0.000 0.505 407 N N 1.726 120.485 118.700 0.097 0.000 2.445 407 N HA 0.563 5.303 4.740 -0.001 0.000 0.264 407 N C 0.110 175.717 175.510 0.162 0.000 1.227 407 N CA 0.390 53.511 53.050 0.117 0.000 0.963 407 N CB 0.889 39.446 38.487 0.118 0.000 1.188 407 N HN 0.760 nan 8.380 nan 0.000 0.491 408 N N -0.678 118.131 118.700 0.182 0.000 2.934 408 N HA 0.384 5.124 4.740 -0.001 0.000 0.253 408 N C -1.879 173.805 175.510 0.290 0.000 1.466 408 N CA -0.561 52.635 53.050 0.243 0.000 0.858 408 N CB 1.294 39.908 38.487 0.213 0.000 1.459 408 N HN 0.366 nan 8.380 nan 0.000 0.532 409 F N 0.119 120.156 119.950 0.146 0.000 2.529 409 F HA 0.522 5.049 4.527 -0.001 0.000 0.320 409 F C -0.746 175.143 175.800 0.148 0.000 1.118 409 F CA -0.392 57.696 58.000 0.145 0.000 0.915 409 F CB 2.042 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 5.084 124.525 119.800 -0.599 0.000 2.377 410 Q HA 0.677 5.016 4.340 -0.001 0.000 0.271 410 Q C -2.048 173.717 176.000 -0.393 0.000 1.077 410 Q CA -0.643 54.953 55.803 -0.344 0.000 0.820 410 Q CB 2.133 30.752 28.738 -0.198 0.000 1.347 410 Q HN 0.691 nan 8.270 nan 0.000 0.444 411 F N 0.655 120.467 119.950 -0.229 0.000 2.669 411 F HA 0.581 5.108 4.527 -0.001 0.000 0.315 411 F C -1.596 174.203 175.800 -0.002 0.000 1.109 411 F CA -0.239 57.700 58.000 -0.103 0.000 1.028 411 F CB 1.492 40.532 39.000 0.068 0.000 1.287 411 F HN 0.505 nan 8.300 nan 0.000 0.452 412 S N 4.599 119.806 115.700 -0.822 0.000 2.536 412 S HA 0.609 5.078 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 -0.625 57.197 58.200 -0.630 0.000 0.950 412 S CB 1.992 64.987 63.200 -0.341 0.000 1.056 412 S HN 0.644 nan 8.310 nan 0.000 0.481 413 Y N 0.987 120.898 120.300 -0.650 0.000 2.524 413 Y HA 0.612 5.162 4.550 -0.001 0.000 0.347 413 Y C -1.107 174.551 175.900 -0.403 0.000 1.005 413 Y CA -0.387 57.380 58.100 -0.555 0.000 1.025 413 Y CB 1.784 39.919 38.460 -0.542 0.000 1.275 413 Y HN 0.550 nan 8.280 nan 0.000 0.460 414 T N 6.541 120.381 114.554 -1.191 0.000 2.815 414 T HA 0.409 4.759 4.350 -0.001 0.000 0.289 414 T C -0.819 173.204 174.700 -1.127 0.000 1.000 414 T CA -0.402 61.192 62.100 -0.844 0.000 0.958 414 T CB 0.091 68.671 68.868 -0.480 0.000 0.944 414 T HN 0.411 nan 8.240 nan 0.000 0.442 415 F N 2.594 122.148 119.950 -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 0.573 39.424 39.000 -0.247 0.000 1.175 415 F HN 0.568 nan 8.300 nan 0.000 0.593 416 E N -0.152 120.047 120.200 -0.002 0.000 2.359 416 E HA 0.229 4.578 4.350 -0.001 0.000 0.255 416 E C -1.314 175.263 176.600 -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 0.359 nan 8.360 nan 0.000 0.496 417 D N 0.635 121.006 120.400 -0.049 0.000 2.342 417 D HA 0.180 4.820 4.640 -0.001 0.000 0.260 417 D C -1.134 175.138 176.300 -0.046 0.000 1.278 417 D CA 0.201 54.164 54.000 -0.062 0.000 0.910 417 D CB 0.982 41.754 40.800 -0.047 0.000 1.079 417 D HN 0.219 nan 8.370 nan 0.000 0.496 418 V N 4.423 124.294 119.914 -0.072 0.000 2.577 418 V HA 0.445 4.564 4.120 -0.001 0.000 0.303 418 V C -2.454 173.634 176.094 -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 0.076 nan 4.420 nan 0.000 0.266 419 P C -0.522 176.871 177.300 0.155 0.000 1.186 419 P CA 0.333 63.481 63.100 0.080 0.000 0.767 419 P CB 0.101 31.855 31.700 0.090 0.000 0.820 420 F N 0.825 120.874 119.950 0.164 0.000 2.595 420 F HA 0.017 4.544 4.527 -0.001 0.000 0.359 420 F C 1.786 177.668 175.800 0.136 0.000 1.147 420 F CA 0.482 58.594 58.000 0.186 0.000 1.341 420 F CB -0.054 39.032 39.000 0.143 0.000 1.104 420 F HN 0.423 nan 8.300 nan 0.000 0.603 421 H N 0.886 120.027 119.070 0.119 0.000 2.679 421 H HA 0.199 4.755 4.556 -0.001 0.000 0.369 421 H C -0.369 174.962 175.328 0.006 0.000 1.178 421 H CA -0.437 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 -0.947 0.000 2.416 422 S HA 0.084 4.553 4.470 -0.001 0.000 0.302 422 S C 0.124 174.418 174.600 -0.510 0.000 1.120 422 S CA -0.402 57.416 58.200 -0.637 0.000 1.067 422 S CB 0.303 62.965 63.200 -0.897 0.000 1.057 422 S HN 0.592 nan 8.310 nan 0.000 0.518 423 S N 2.959 118.671 115.700 0.019 0.000 2.602 423 S HA 0.257 4.726 4.470 -0.001 0.000 0.246 423 S C -0.183 174.496 174.600 0.132 0.000 1.009 423 S CA -0.554 57.731 58.200 0.142 0.000 1.052 423 S CB -0.509 62.862 63.200 0.285 0.000 0.778 423 S HN 0.806 nan 8.310 nan 0.000 0.455 424 Y N -1.718 118.460 120.300 -0.203 0.000 2.638 424 Y HA 0.891 5.441 4.550 -0.001 0.000 0.339 424 Y C -0.815 174.878 175.900 -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 1.076 123.743 122.820 -0.256 0.000 2.414 425 A HA 0.540 4.860 4.320 -0.001 0.000 0.306 425 A C -1.505 175.960 177.584 -0.199 0.000 1.054 425 A CA -0.889 50.965 52.037 -0.304 0.000 0.724 425 A CB 0.684 19.591 19.000 -0.155 0.000 1.267 425 A HN 0.843 nan 8.150 nan 0.000 0.418 426 H N 1.798 120.845 119.070 -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 1.000 57.047 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 2.203 117.974 115.700 0.118 0.000 2.558 427 S HA 0.039 4.509 4.470 -0.001 0.000 0.217 427 S C 0.581 175.222 174.600 0.069 0.000 0.975 427 S CA -0.089 58.156 58.200 0.076 0.000 0.912 427 S CB 0.488 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 0.385 120.231 119.800 0.078 0.000 2.486 428 Q HA 0.661 5.001 4.340 -0.001 0.000 0.274 428 Q C -1.133 174.884 176.000 0.028 0.000 1.076 428 Q CA -0.803 55.026 55.803 0.042 0.000 0.872 428 Q CB 1.905 30.659 28.738 0.026 0.000 1.383 428 Q HN 0.264 nan 8.270 nan 0.000 0.478 429 S N -0.373 115.332 115.700 0.008 0.000 2.526 429 S HA 0.326 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 0.877 64.079 63.200 0.003 0.000 1.048 429 S HN 0.717 nan 8.310 nan 0.000 0.483 430 L N 2.301 123.515 121.223 -0.015 0.000 2.137 430 L HA -0.167 4.173 4.340 -0.001 0.000 0.213 430 L C 1.919 178.807 176.870 0.030 0.000 1.085 430 L CA 2.068 56.916 54.840 0.015 0.000 0.760 430 L CB -0.224 41.850 42.059 0.026 0.000 0.893 430 L HN 0.819 nan 8.230 nan 0.000 0.434 431 D N -1.633 118.770 120.400 0.005 0.000 2.355 431 D HA -0.081 4.559 4.640 -0.001 0.000 0.206 431 D C 0.881 177.175 176.300 -0.011 0.000 1.010 431 D CA 0.131 54.126 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 0.235 4.575 4.340 -0.001 0.000 0.272 432 R C 0.556 176.859 176.300 0.006 0.000 1.516 432 R CA -0.272 55.827 56.100 -0.003 0.000 1.519 432 R CB 0.444 30.744 30.300 0.000 0.000 1.422 432 R HN 0.199 nan 8.270 nan 0.000 0.719 433 L N 0.480 121.709 121.223 0.009 0.000 2.609 433 L HA 0.224 4.564 4.340 -0.001 0.000 0.230 433 L C 0.348 177.228 176.870 0.017 0.000 1.064 433 L CA 0.851 55.706 54.840 0.024 0.000 0.873 433 L CB 0.140 42.230 42.059 0.053 0.000 1.139 433 L HN 0.195 nan 8.230 nan 0.000 0.490 434 M N -0.875 118.725 119.600 -0.001 0.000 2.116 434 M HA 0.269 4.749 4.480 -0.001 0.000 0.235 434 M C 0.418 176.713 176.300 -0.008 0.000 1.193 434 M CA -0.371 54.922 55.300 -0.011 0.000 0.959 434 M CB -0.806 31.773 32.600 -0.036 0.000 1.313 434 M HN -0.141 nan 8.290 nan 0.000 0.530 435 N N 0.767 119.459 118.700 -0.013 0.000 2.408 435 N HA 0.301 5.040 4.740 -0.001 0.000 0.257 435 N C -2.149 173.353 175.510 -0.012 0.000 1.064 435 N CA -1.704 51.342 53.050 -0.008 0.000 0.952 435 N CB 0.704 39.187 38.487 -0.006 0.000 1.093 435 N HN 0.345 nan 8.380 nan 0.000 0.490 436 P HA -0.020 nan 4.420 nan 0.000 0.225 436 P C 0.815 178.111 177.300 -0.007 0.000 1.148 436 P CA 0.643 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 -2.123 119.097 121.223 -0.005 0.000 2.470 437 L HA 0.140 4.480 4.340 -0.001 0.000 0.219 437 L C 1.023 177.891 176.870 -0.003 0.000 1.071 437 L CA 0.686 55.524 54.840 -0.003 0.000 0.850 437 L CB -0.286 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 -0.680 119.886 120.570 -0.006 0.000 2.607 438 I HA 0.308 4.477 4.170 -0.001 0.000 0.305 438 I C -0.526 175.580 176.117 -0.019 0.000 0.995 438 I CA -0.839 60.458 61.300 -0.006 0.000 1.148 438 I CB 1.289 39.289 38.000 0.001 0.000 1.323 438 I HN -0.062 nan 8.210 nan 0.000 0.461 439 D N 2.943 123.332 120.400 -0.019 0.000 2.253 439 D HA 0.370 5.010 4.640 -0.001 0.000 0.249 439 D C 0.188 176.450 176.300 -0.064 0.000 1.049 439 D CA -0.345 53.630 54.000 -0.040 0.000 0.929 439 D CB 0.849 41.627 40.800 -0.036 0.000 1.176 439 D HN 0.351 nan 8.370 nan 0.000 0.437 440 Q N 0.133 119.862 119.800 -0.118 0.000 2.500 440 Q HA 0.165 4.505 4.340 -0.001 0.000 0.215 440 Q C 0.132 176.033 176.000 -0.165 0.000 1.062 440 Q CA -0.218 55.455 55.803 -0.217 0.000 0.996 440 Q CB 0.464 29.043 28.738 -0.266 0.000 1.239 440 Q HN 0.692 nan 8.270 nan 0.000 0.578 441 Y N -2.014 118.251 120.300 -0.058 0.000 2.531 441 Y HA 0.433 4.983 4.550 -0.001 0.000 0.249 441 Y C -0.186 175.706 175.900 -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 0.979 122.156 121.223 -0.076 0.000 2.360 442 L HA 0.430 4.770 4.340 -0.001 0.000 0.271 442 L C -1.088 175.752 176.870 -0.050 0.000 1.057 442 L CA -1.044 53.825 54.840 0.049 0.000 0.803 442 L CB 1.091 43.128 42.059 -0.036 0.000 1.207 442 L HN 0.084 nan 8.230 nan 0.000 0.445 443 Y N 0.394 120.736 120.300 0.070 0.000 2.468 443 Y HA 0.468 5.018 4.550 -0.001 0.000 0.342 443 Y C -0.412 175.575 175.900 0.145 0.000 1.021 443 Y CA -0.619 57.514 58.100 0.054 0.000 1.079 443 Y CB 1.854 40.295 38.460 -0.032 0.000 1.226 443 Y HN 0.393 nan 8.280 nan 0.000 0.460 444 Y N 0.432 120.881 120.300 0.249 0.000 2.602 444 Y HA 0.728 5.278 4.550 -0.001 0.000 0.342 444 Y C -1.632 174.479 175.900 0.352 0.000 1.029 444 Y CA -1.867 56.372 58.100 0.232 0.000 1.080 444 Y CB 1.149 39.671 38.460 0.103 0.000 1.284 444 Y HN 0.546 nan 8.280 nan 0.000 0.485 445 L N 3.245 124.720 121.223 0.419 0.000 2.257 445 L HA 0.411 4.751 4.340 -0.001 0.000 0.290 445 L C -0.035 176.915 176.870 0.132 0.000 1.044 445 L CA -0.079 54.845 54.840 0.139 0.000 0.810 445 L CB 0.590 42.703 42.059 0.090 0.000 1.193 445 L HN 1.045 nan 8.230 nan 0.000 0.425 446 N N 2.572 121.275 118.700 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 39.210 38.487 0.232 0.000 1.041 446 N HN 0.334 nan 8.380 nan 0.000 0.506 447 R N 1.049 121.489 120.500 -0.102 0.000 2.476 447 R HA 0.258 4.597 4.340 -0.001 0.000 0.305 447 R C 0.073 176.289 176.300 -0.141 0.000 0.965 447 R CA -0.318 55.721 56.100 -0.101 0.000 0.867 447 R CB 1.488 31.728 30.300 -0.101 0.000 1.176 447 R HN 0.236 nan 8.270 nan 0.000 0.447 448 T N -1.543 112.956 114.554 -0.091 0.000 3.042 448 T HA -0.063 4.287 4.350 -0.001 0.000 0.245 448 T C 1.302 175.961 174.700 -0.068 0.000 1.029 448 T CA 0.492 62.540 62.100 -0.086 0.000 1.120 448 T CB 0.360 69.197 68.868 -0.051 0.000 0.917 448 T HN 0.590 nan 8.240 nan 0.000 0.467 449 Q N 1.068 120.837 119.800 -0.052 0.000 2.577 449 Q HA 0.360 4.700 4.340 -0.001 0.000 0.242 449 Q C 1.510 177.488 176.000 -0.038 0.000 0.818 449 Q CA -0.013 55.765 55.803 -0.040 0.000 0.962 449 Q CB -0.492 28.230 28.738 -0.028 0.000 1.272 449 Q HN 0.320 nan 8.270 nan 0.000 0.593 450 G N 1.741 110.521 108.800 -0.034 0.000 2.151 450 G HA2 0.272 4.232 3.960 -0.001 0.000 0.269 450 G HA3 0.272 4.232 3.960 -0.001 0.000 0.269 450 G C -0.420 174.461 174.900 -0.032 0.000 1.069 450 G CA 0.854 45.938 45.100 -0.028 0.000 1.080 450 G HN 0.370 nan 8.290 nan 0.000 0.405 451 T N 0.735 115.273 114.554 -0.026 0.000 2.551 451 T HA 0.332 4.682 4.350 -0.001 0.000 0.249 451 T C 0.672 175.362 174.700 -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 0.622 175.316 174.700 -0.010 0.000 1.007 452 T CA 0.149 62.242 62.100 -0.011 0.000 1.171 452 T CB -0.652 68.211 68.868 -0.009 0.000 1.153 452 T HN 0.532 nan 8.240 nan 0.000 0.854 453 S N 2.614 118.308 115.700 -0.010 0.000 3.829 453 S HA 0.348 4.818 4.470 -0.001 0.000 0.250 453 S C 1.246 175.841 174.600 -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 -0.009 0.000 1.611 453 S HN 0.811 nan 8.310 nan 0.000 0.483 454 G N 2.022 110.818 108.800 -0.007 0.000 2.449 454 G HA2 0.294 4.253 3.960 -0.001 0.000 0.192 454 G HA3 0.294 4.253 3.960 -0.001 0.000 0.192 454 G C -0.212 174.685 174.900 -0.006 0.000 1.776 454 G CA -0.118 44.978 45.100 -0.006 0.000 0.699 454 G HN 0.513 nan 8.290 nan 0.000 0.745 455 T N 1.557 116.108 114.554 -0.006 0.000 2.824 455 T HA 0.474 4.824 4.350 -0.001 0.000 0.280 455 T C 0.302 174.999 174.700 -0.006 0.000 0.995 455 T CA 0.561 62.658 62.100 -0.005 0.000 1.009 455 T CB 1.254 70.120 68.868 -0.004 0.000 0.955 455 T HN 0.509 nan 8.240 nan 0.000 0.452 456 T N 3.255 117.806 114.554 -0.006 0.000 3.935 456 T HA -0.174 4.176 4.350 -0.001 0.000 0.346 456 T C 0.160 174.855 174.700 -0.008 0.000 0.758 456 T CA 0.585 62.681 62.100 -0.006 0.000 1.874 456 T CB -1.237 67.627 68.868 -0.005 0.000 1.875 456 T HN 0.614 nan 8.240 nan 0.000 0.802 457 N N 1.675 120.370 118.700 -0.009 0.000 2.851 457 N HA 0.126 4.865 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 52.585 53.050 -0.011 0.000 0.847 457 N CB 1.287 39.767 38.487 -0.012 0.000 1.150 457 N HN 0.534 nan 8.380 nan 0.000 0.507 458 Q N 0.277 120.070 119.800 -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 -0.074 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 0.422 nan 8.310 nan 0.000 0.467 460 R N 0.216 120.687 120.500 -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 -0.058 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 4.790 4.340 -0.001 0.000 0.288 461 L C -0.676 175.945 176.870 -0.416 0.000 1.051 461 L CA -0.433 54.248 54.840 -0.264 0.000 0.824 461 L CB 0.850 42.816 42.059 -0.155 0.000 1.206 461 L HN 0.345 nan 8.230 nan 0.000 0.429 462 L N 3.666 124.559 121.223 -0.550 0.000 2.365 462 L HA 0.590 4.930 4.340 -0.001 0.000 0.273 462 L C -0.921 175.562 176.870 -0.645 0.000 1.000 462 L CA -0.458 54.117 54.840 -0.441 0.000 0.819 462 L CB 1.966 43.906 42.059 -0.198 0.000 1.284 462 L HN 0.303 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 -0.526 57.424 58.000 -0.083 0.000 0.926 463 F CB 2.230 41.205 39.000 -0.042 0.000 1.154 463 F HN 0.266 nan 8.300 nan 0.000 0.453 464 S N 1.564 117.156 115.700 -0.179 0.000 2.503 464 S HA 0.308 4.778 4.470 -0.001 0.000 0.301 464 S C -0.826 173.511 174.600 -0.438 0.000 1.087 464 S CA -0.802 57.228 58.200 -0.283 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 2.382 121.964 119.800 -0.364 0.000 2.286 465 Q HA 0.529 4.869 4.340 -0.001 0.000 0.257 465 Q C -0.179 175.700 176.000 -0.202 0.000 0.941 465 Q CA -0.707 54.651 55.803 -0.741 0.000 0.912 465 Q CB 0.788 28.966 28.738 -0.932 0.000 1.192 465 Q HN 0.759 nan 8.270 nan 0.000 0.410 466 A N 3.166 125.962 122.820 -0.041 0.000 2.565 466 A HA 0.459 4.779 4.320 -0.001 0.000 0.237 466 A C 0.314 177.899 177.584 0.002 0.000 1.053 466 A CA 0.765 52.873 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 1.156 109.974 108.800 0.029 0.000 2.642 467 G HA2 0.583 4.542 3.960 -0.001 0.000 0.293 467 G HA3 0.583 4.542 3.960 -0.001 0.000 0.293 467 G C -2.373 172.520 174.900 -0.011 0.000 1.341 467 G CA -1.169 43.930 45.100 -0.001 0.000 0.916 467 G HN 0.302 nan 8.290 nan 0.000 0.474 468 P HA -0.109 nan 4.420 nan 0.000 0.221 468 P C 1.583 178.875 177.300 -0.013 0.000 1.145 468 P CA 1.114 64.204 63.100 -0.017 0.000 0.795 468 P CB 0.333 32.026 31.700 -0.011 0.000 0.775 469 Q N -0.246 119.553 119.800 -0.002 0.000 1.994 469 Q HA -0.045 4.294 4.340 -0.001 0.000 0.198 469 Q C 1.332 177.332 176.000 -0.001 0.000 0.976 469 Q CA 1.566 57.371 55.803 0.003 0.000 0.828 469 Q CB -0.775 27.972 28.738 0.015 0.000 0.894 469 Q HN 0.297 nan 8.270 nan 0.000 0.432 470 S N 0.334 116.039 115.700 0.009 0.000 3.864 470 S HA 0.129 4.598 4.470 -0.001 0.000 0.202 470 S C 0.995 175.546 174.600 -0.082 0.000 1.402 470 S CA -0.203 57.985 58.200 -0.019 0.000 1.072 470 S CB -0.180 63.047 63.200 0.046 0.000 1.383 470 S HN 0.246 nan 8.310 nan 0.000 0.458 471 M N 2.111 121.673 119.600 -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 1.351 56.611 55.300 -0.067 0.000 1.118 471 M CB -0.041 32.534 32.600 -0.043 0.000 1.395 471 M HN 0.684 nan 8.290 nan 0.000 0.435 472 S N -1.143 114.497 115.700 -0.101 0.000 2.574 472 S HA 0.260 4.730 4.470 -0.001 0.000 0.242 472 S C 0.840 175.343 174.600 -0.162 0.000 0.982 472 S CA -0.544 57.591 58.200 -0.109 0.000 0.977 472 S CB -0.159 62.993 63.200 -0.081 0.000 0.814 472 S HN 0.545 nan 8.310 nan 0.000 0.464 473 L N -0.228 120.846 121.223 -0.247 0.000 2.840 473 L HA 0.314 4.654 4.340 -0.001 0.000 0.249 473 L C 0.634 177.220 176.870 -0.474 0.000 1.119 473 L CA -0.229 54.358 54.840 -0.422 0.000 0.930 473 L CB 0.096 41.749 42.059 -0.677 0.000 1.295 473 L HN 0.264 nan 8.230 nan 0.000 0.534 474 Q N 1.350 120.961 119.800 -0.314 0.000 2.428 474 Q HA 0.278 4.617 4.340 -0.001 0.000 0.276 474 Q C 0.508 176.410 176.000 -0.164 0.000 1.059 474 Q CA -0.094 55.579 55.803 -0.217 0.000 0.923 474 Q CB 0.838 29.488 28.738 -0.146 0.000 1.283 474 Q HN 0.274 nan 8.270 nan 0.000 0.447 475 A N 2.076 124.823 122.820 -0.122 0.000 2.531 475 A HA 0.154 4.474 4.320 -0.001 0.000 0.236 475 A C 0.036 177.546 177.584 -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 0.321 120.748 120.500 -0.123 0.000 2.892 476 R HA 0.484 4.823 4.340 -0.001 0.000 0.265 476 R C 0.348 176.509 176.300 -0.230 0.000 1.025 476 R CA -0.604 55.411 56.100 -0.143 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 -0.452 118.025 118.700 -0.371 0.000 2.332 477 N HA 0.174 4.914 4.740 -0.001 0.000 0.190 477 N C -0.968 173.993 175.510 -0.915 0.000 1.117 477 N CA 0.344 52.925 53.050 -0.783 0.000 0.883 477 N CB 0.474 38.270 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 2.975 478 W HA 0.590 5.250 4.660 -0.001 0.000 0.342 478 W C -0.608 175.927 176.519 0.027 0.000 1.168 478 W CA -0.816 56.540 57.345 0.019 0.000 1.141 478 W CB 0.832 30.296 29.460 0.007 0.000 1.445 478 W HN -0.355 nan 8.180 nan 0.000 0.560 479 L N 1.940 123.356 121.223 0.323 0.000 2.322 479 L HA 0.626 4.966 4.340 -0.001 0.000 0.269 479 L C -2.104 174.894 176.870 0.213 0.000 1.012 479 L CA -2.807 52.163 54.840 0.217 0.000 0.815 479 L CB 0.581 42.771 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 -0.068 177.379 177.300 0.245 0.000 1.266 480 P CA -0.344 62.851 63.100 0.159 0.000 0.793 480 P CB 0.442 32.178 31.700 0.061 0.000 1.074 481 G N 0.593 109.538 108.800 0.242 0.000 2.683 481 G HA2 0.300 4.260 3.960 -0.001 0.000 0.260 481 G HA3 0.300 4.260 3.960 -0.001 0.000 0.260 481 G C -2.296 172.651 174.900 0.079 0.000 1.238 481 G CA -0.929 44.276 45.100 0.175 0.000 0.934 481 G HN 0.363 nan 8.290 nan 0.000 0.534 482 P HA 0.262 nan 4.420 nan 0.000 0.274 482 P C -0.041 177.199 177.300 -0.100 0.000 1.260 482 P CA -0.113 62.864 63.100 -0.204 0.000 0.793 482 P CB 0.831 32.316 31.700 -0.358 0.000 1.048 483 C N -0.811 118.418 119.300 -0.118 0.000 3.239 483 C HA 0.694 5.153 4.460 -0.001 0.000 0.317 483 C C -1.679 173.345 174.990 0.055 0.000 1.310 483 C CA -0.731 58.289 59.018 0.003 0.000 1.371 483 C CB 0.694 28.500 27.740 0.110 0.000 1.714 483 C HN 0.617 nan 8.230 nan 0.000 0.473 484 Y N 1.933 122.203 120.300 -0.049 0.000 2.484 484 Y HA 0.484 5.033 4.550 -0.001 0.000 0.348 484 Y C 0.417 176.310 175.900 -0.011 0.000 1.103 484 Y CA -0.313 57.764 58.100 -0.038 0.000 1.317 484 Y CB 0.434 38.877 38.460 -0.028 0.000 1.096 484 Y HN 1.034 nan 8.280 nan 0.000 0.568 485 R N 3.692 124.105 120.500 -0.146 0.000 2.500 485 R HA -0.000 4.339 4.340 -0.001 0.000 0.281 485 R C -0.383 175.871 176.300 -0.076 0.000 0.953 485 R CA 0.784 56.828 56.100 -0.093 0.000 1.108 485 R CB 0.503 30.731 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 4.473 4.340 -0.001 0.000 0.262 486 Q C -0.711 175.248 176.000 -0.068 0.000 1.014 486 Q CA -0.857 54.913 55.803 -0.055 0.000 0.885 486 Q CB 1.623 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 1.139 120.895 119.800 -0.074 0.000 2.340 487 Q HA 0.151 4.491 4.340 -0.001 0.000 0.249 487 Q C -0.815 175.150 176.000 -0.058 0.000 0.957 487 Q CA 0.162 55.947 55.803 -0.031 0.000 0.882 487 Q CB 0.763 29.540 28.738 0.065 0.000 1.235 487 Q HN 0.381 nan 8.270 nan 0.000 0.439 488 R N 3.005 123.479 120.500 -0.043 0.000 2.308 488 R HA 0.446 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 -0.448 55.617 56.100 -0.058 0.000 0.957 488 R CB 0.357 30.600 30.300 -0.095 0.000 1.022 488 R HN 0.526 nan 8.270 nan 0.000 0.461 489 L N 1.774 122.886 121.223 -0.185 0.000 2.341 489 L HA 0.434 4.773 4.340 -0.001 0.000 0.267 489 L C -0.251 176.513 176.870 -0.176 0.000 1.009 489 L CA -0.183 54.486 54.840 -0.285 0.000 0.819 489 L CB 2.021 43.578 42.059 -0.835 0.000 1.323 489 L HN 0.574 nan 8.230 nan 0.000 0.425 490 S N 0.097 115.762 115.700 -0.057 0.000 2.537 490 S HA 0.455 4.925 4.470 -0.001 0.000 0.301 490 S C 0.743 175.342 174.600 -0.002 0.000 1.092 490 S CA -0.570 57.521 58.200 -0.182 0.000 1.048 490 S CB 1.107 64.141 63.200 -0.277 0.000 1.053 490 S HN 0.641 nan 8.310 nan 0.000 0.501 491 K N 1.112 121.516 120.400 0.007 0.000 2.296 491 K HA 0.031 4.351 4.320 -0.001 0.000 0.200 491 K C 0.195 176.802 176.600 0.013 0.000 1.048 491 K CA 0.731 57.070 56.287 0.086 0.000 0.966 491 K CB -0.203 32.317 32.500 0.034 0.000 0.754 491 K HN 0.541 nan 8.250 nan 0.000 0.466 492 T N 1.750 116.276 114.554 -0.048 0.000 2.727 492 T HA 0.215 4.565 4.350 -0.001 0.000 0.295 492 T C 0.496 175.196 174.700 -0.000 0.000 0.915 492 T CA -0.366 61.714 62.100 -0.033 0.000 1.066 492 T CB 1.296 70.129 68.868 -0.059 0.000 0.891 492 T HN 0.118 nan 8.240 nan 0.000 0.516 493 A N 3.938 126.768 122.820 0.018 0.000 2.190 493 A HA 0.068 4.388 4.320 -0.001 0.000 0.226 493 A C 1.517 179.122 177.584 0.037 0.000 1.402 493 A CA -0.086 51.973 52.037 0.037 0.000 1.288 493 A CB -0.800 18.221 19.000 0.035 0.000 0.833 493 A HN 0.956 nan 8.150 nan 0.000 0.564 494 N N -2.554 116.164 118.700 0.030 0.000 1.952 494 N HA -0.033 4.706 4.740 -0.001 0.000 0.228 494 N C -0.516 175.015 175.510 0.036 0.000 1.398 494 N CA 0.180 53.248 53.050 0.031 0.000 0.817 494 N CB 0.112 38.610 38.487 0.019 0.000 1.101 494 N HN 0.141 nan 8.380 nan 0.000 0.498 495 D N 0.853 121.278 120.400 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 0.538 54.577 54.000 0.066 0.000 0.874 495 D CB 0.051 40.898 40.800 0.078 0.000 0.930 495 D HN 0.250 nan 8.370 nan 0.000 0.521 496 N N 1.060 119.812 118.700 0.087 0.000 2.463 496 N HA 0.033 4.773 4.740 -0.001 0.000 0.270 496 N C 0.069 175.615 175.510 0.060 0.000 1.205 496 N CA -0.332 52.782 53.050 0.106 0.000 0.974 496 N CB 0.442 39.040 38.487 0.185 0.000 1.197 496 N HN -0.001 nan 8.380 nan 0.000 0.504 497 N N 0.752 119.450 118.700 -0.003 0.000 2.492 497 N HA -0.099 4.641 4.740 -0.001 0.000 0.262 497 N C -0.166 175.364 175.510 0.033 0.000 1.202 497 N CA 0.278 53.290 53.050 -0.063 0.000 0.926 497 N CB 0.140 38.470 38.487 -0.261 0.000 1.078 497 N HN 0.472 nan 8.380 nan 0.000 0.454 498 N N 1.636 120.351 118.700 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 -0.277 52.806 53.050 0.054 0.000 1.202 498 N CB -0.031 38.475 38.487 0.032 0.000 1.475 498 N HN 0.475 nan 8.380 nan 0.000 0.554 499 S N 0.036 115.810 115.700 0.124 0.000 2.661 499 S HA 0.294 4.764 4.470 -0.001 0.000 0.285 499 S C -0.773 174.022 174.600 0.324 0.000 1.138 499 S CA -1.076 57.223 58.200 0.164 0.000 0.855 499 S CB 1.605 64.861 63.200 0.094 0.000 1.136 499 S HN 0.240 nan 8.310 nan 0.000 0.484 500 N N 0.742 119.597 118.700 0.259 0.000 2.699 500 N HA 0.420 5.159 4.740 -0.001 0.000 0.232 500 N C -0.601 175.063 175.510 0.257 0.000 1.027 500 N CA -1.037 52.140 53.050 0.212 0.000 0.920 500 N CB -0.285 38.268 38.487 0.110 0.000 1.148 500 N HN 0.679 nan 8.380 nan 0.000 0.509 501 F N 1.163 121.154 119.950 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 -1.607 56.439 58.000 0.077 0.000 1.294 501 F CB 0.665 39.689 39.000 0.039 0.000 0.975 501 F HN 0.191 nan 8.300 nan 0.000 0.512 502 P HA -0.076 nan 4.420 nan 0.000 0.242 502 P C 0.779 178.185 177.300 0.178 0.000 1.197 502 P CA 1.107 64.160 63.100 -0.077 0.000 0.765 502 P CB -0.053 31.614 31.700 -0.056 0.000 0.936 503 W N -0.282 121.023 121.300 0.009 0.000 3.792 503 W HA 0.020 4.680 4.660 -0.001 0.000 0.217 503 W C 0.911 177.465 176.519 0.057 0.000 1.098 503 W CA 0.845 58.205 57.345 0.025 0.000 1.657 503 W CB -0.119 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 -0.477 114.136 114.554 0.099 0.000 3.055 504 T HA 0.222 4.572 4.350 -0.001 0.000 0.265 504 T C 1.355 176.050 174.700 -0.008 0.000 1.111 504 T CA 1.132 63.229 62.100 -0.005 0.000 1.118 504 T CB 0.039 68.983 68.868 0.126 0.000 0.909 504 T HN 0.088 nan 8.240 nan 0.000 0.501 505 A N 0.233 123.106 122.820 0.090 0.000 2.545 505 A HA 0.835 5.154 4.320 -0.001 0.000 0.263 505 A C 0.998 178.647 177.584 0.108 0.000 1.202 505 A CA -0.074 52.038 52.037 0.124 0.000 0.959 505 A CB 0.098 19.264 19.000 0.276 0.000 1.124 505 A HN 0.633 nan 8.150 nan 0.000 0.543 506 A N -0.010 122.846 122.820 0.060 0.000 2.279 506 A HA 0.671 4.990 4.320 -0.001 0.000 0.303 506 A C 0.375 177.996 177.584 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 0.788 116.579 115.700 0.152 0.000 2.549 507 S HA 0.453 4.923 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 0.174 63.554 63.200 0.300 0.000 0.899 507 S HN 0.668 nan 8.310 nan 0.000 0.497 508 K N 1.139 121.644 120.400 0.175 0.000 2.571 508 K HA 0.580 4.900 4.320 -0.001 0.000 0.289 508 K C -1.611 175.075 176.600 0.144 0.000 1.028 508 K CA -1.049 55.261 56.287 0.039 0.000 0.895 508 K CB 1.158 33.524 32.500 -0.222 0.000 1.534 508 K HN 0.582 nan 8.250 nan 0.000 0.421 509 Y N -1.673 118.651 120.300 0.041 0.000 2.638 509 Y HA 0.621 5.170 4.550 -0.001 0.000 0.339 509 Y C -1.095 174.879 175.900 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 0.550 5.105 4.556 -0.001 0.000 0.347 510 H C -2.366 173.099 175.328 0.229 0.000 1.042 510 H CA -1.050 55.090 56.048 0.154 0.000 1.276 510 H CB 1.574 31.380 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 4.524 4.340 -0.001 0.000 0.284 511 L C 0.398 177.338 176.870 0.117 0.000 1.013 511 L CA -0.646 54.233 54.840 0.065 0.000 0.819 511 L CB 1.073 43.230 42.059 0.164 0.000 1.227 511 L HN 0.865 nan 8.230 nan 0.000 0.417 512 N N 3.173 121.923 118.700 0.083 0.000 2.758 512 N HA -0.174 4.565 4.740 -0.001 0.000 0.248 512 N C 0.640 176.267 175.510 0.194 0.000 1.076 512 N CA 1.114 54.240 53.050 0.125 0.000 0.696 512 N CB -0.766 37.783 38.487 0.104 0.000 0.979 512 N HN 1.059 nan 8.380 nan 0.000 0.550 513 G N 0.005 109.017 108.800 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 0.595 45.875 45.100 0.300 0.000 0.869 513 G HN 0.750 nan 8.290 nan 0.000 0.502 514 R N 0.397 121.063 120.500 0.278 0.000 2.507 514 R HA 0.280 4.620 4.340 -0.001 0.000 0.298 514 R C -1.119 175.292 176.300 0.185 0.000 1.087 514 R CA -0.835 55.383 56.100 0.197 0.000 0.917 514 R CB 0.794 31.196 30.300 0.169 0.000 1.173 514 R HN 0.133 nan 8.270 nan 0.000 0.472 515 D N 1.972 122.476 120.400 0.173 0.000 2.417 515 D HA 0.097 4.737 4.640 -0.001 0.000 0.250 515 D C -0.607 175.725 176.300 0.054 0.000 1.166 515 D CA 0.804 54.871 54.000 0.112 0.000 0.881 515 D CB 1.546 42.437 40.800 0.152 0.000 1.164 515 D HN 0.334 nan 8.370 nan 0.000 0.467 516 S N 1.633 117.156 115.700 -0.295 0.000 2.521 516 S HA 0.301 4.771 4.470 -0.001 0.000 0.295 516 S C -0.375 173.955 174.600 -0.450 0.000 1.098 516 S CA -0.763 57.189 58.200 -0.413 0.000 0.999 516 S CB 1.812 64.573 63.200 -0.731 0.000 1.034 516 S HN 0.295 nan 8.310 nan 0.000 0.483 517 L N 4.053 125.185 121.223 -0.152 0.000 2.418 517 L HA 0.307 4.647 4.340 -0.001 0.000 0.274 517 L C -0.241 176.573 176.870 -0.094 0.000 1.135 517 L CA 0.178 54.941 54.840 -0.127 0.000 0.870 517 L CB 0.527 42.532 42.059 -0.091 0.000 1.154 517 L HN 0.505 nan 8.230 nan 0.000 0.462 518 V N 6.866 126.793 119.914 0.022 0.000 2.070 518 V HA -0.003 4.116 4.120 -0.001 0.000 0.239 518 V C 1.370 177.558 176.094 0.156 0.000 1.472 518 V CA 0.120 62.516 62.300 0.159 0.000 1.453 518 V CB -0.959 30.980 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 -1.897 173.768 175.510 0.259 0.000 1.074 519 N CA 1.077 54.151 53.050 0.041 0.000 0.860 519 N CB -0.434 38.025 38.487 -0.046 0.000 1.055 519 N HN 0.357 nan 8.380 nan 0.000 0.429 520 P HA 0.277 nan 4.420 nan 0.000 0.291 520 P C -0.455 176.921 177.300 0.127 0.000 1.340 520 P CA -0.347 62.842 63.100 0.148 0.000 0.799 520 P CB 1.218 32.984 31.700 0.110 0.000 0.917 521 G N 4.836 113.717 108.800 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 -2.419 172.518 174.900 0.061 0.000 1.416 521 G CA -1.673 43.477 45.100 0.085 0.000 1.052 521 G HN 0.243 nan 8.290 nan 0.000 0.542 522 P HA 0.214 nan 4.420 nan 0.000 0.269 522 P C -0.151 177.173 177.300 0.040 0.000 1.205 522 P CA 0.163 63.260 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 3.474 126.322 122.820 0.045 0.000 2.496 523 A HA 0.306 4.626 4.320 -0.001 0.000 0.278 523 A C 0.113 177.741 177.584 0.074 0.000 1.137 523 A CA 0.511 52.600 52.037 0.088 0.000 0.805 523 A CB -1.037 18.044 19.000 0.134 0.000 1.077 523 A HN 0.427 nan 8.150 nan 0.000 0.513 524 M N 2.248 121.897 119.600 0.081 0.000 2.518 524 M HA 0.555 5.034 4.480 -0.001 0.000 0.300 524 M C 0.268 176.610 176.300 0.070 0.000 1.175 524 M CA -0.434 54.910 55.300 0.073 0.000 0.890 524 M CB 2.295 34.939 32.600 0.074 0.000 1.710 524 M HN 0.678 nan 8.290 nan 0.000 0.453 525 A N 1.105 123.954 122.820 0.047 0.000 2.445 525 A HA 0.329 4.649 4.320 -0.001 0.000 0.242 525 A C 0.770 178.374 177.584 0.033 0.000 1.075 525 A CA -0.172 51.876 52.037 0.018 0.000 0.777 525 A CB 0.220 19.204 19.000 -0.026 0.000 1.013 525 A HN 0.935 nan 8.150 nan 0.000 0.493 526 S N 0.456 116.177 115.700 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 0.252 119.387 119.070 0.107 0.000 3.037 527 H HA 0.499 5.054 4.556 -0.001 0.000 0.355 527 H C -1.214 174.159 175.328 0.075 0.000 1.263 527 H CA -1.188 54.925 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 0.771 121.268 120.400 0.162 0.000 2.179 528 K HA 0.225 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 1.269 121.729 120.400 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 0.937 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 1.468 121.943 120.400 0.125 0.000 2.699 530 D HA -0.171 4.469 4.640 -0.001 0.000 0.239 530 D C 0.551 176.919 176.300 0.112 0.000 1.136 530 D CA 0.921 54.979 54.000 0.097 0.000 0.668 530 D CB -0.445 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 -0.719 119.559 120.200 0.129 0.000 3.470 531 E HA 0.092 4.442 4.350 -0.001 0.000 0.220 531 E C 0.646 177.203 176.600 -0.071 0.000 1.260 531 E CA -0.086 56.383 56.400 0.115 0.000 1.240 531 E CB 0.405 30.257 29.700 0.253 0.000 2.780 531 E HN 0.049 nan 8.360 nan 0.000 0.573 532 E N 0.757 120.713 120.200 -0.407 0.000 3.916 532 E HA -0.264 4.085 4.350 -0.001 0.000 0.331 532 E C 0.770 177.153 176.600 -0.361 0.000 0.729 532 E CA 1.786 57.716 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 -0.224 0.000 2.399 533 K HA 0.176 4.496 4.320 -0.001 0.000 0.196 533 K C 0.133 176.592 176.600 -0.234 0.000 1.103 533 K CA 0.115 56.260 56.287 -0.237 0.000 0.986 533 K CB 0.263 32.555 32.500 -0.347 0.000 0.952 533 K HN 0.054 nan 8.250 nan 0.000 0.541 534 F N 3.006 122.968 119.950 0.019 0.000 2.404 534 F HA 0.314 4.840 4.527 -0.001 0.000 0.358 534 F C -0.171 175.705 175.800 0.126 0.000 1.120 534 F CA -1.337 56.686 58.000 0.038 0.000 1.144 534 F CB 0.671 39.677 39.000 0.010 0.000 1.133 534 F HN -0.000 nan 8.300 nan 0.000 0.495 535 F N 3.249 123.307 119.950 0.180 0.000 2.508 535 F HA 0.801 5.328 4.527 -0.001 0.000 0.325 535 F C -3.118 172.750 175.800 0.113 0.000 1.090 535 F CA -3.844 54.238 58.000 0.137 0.000 0.945 535 F CB 0.771 39.816 39.000 0.075 0.000 1.156 535 F HN 0.113 nan 8.300 nan 0.000 0.463 536 P HA 0.059 nan 4.420 nan 0.000 0.268 536 P C -0.271 176.988 177.300 -0.069 0.000 1.204 536 P CA -0.213 62.882 63.100 -0.008 0.000 0.768 536 P CB 0.640 32.375 31.700 0.058 0.000 0.842 537 M N 5.642 125.108 119.600 -0.223 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 -1.405 31.039 32.600 -0.260 0.000 2.102 537 M HN 0.604 nan 8.290 nan 0.000 0.463 538 H N 0.850 120.039 119.070 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 0.584 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 0.919 109.755 108.800 0.060 0.000 3.155 539 G HA2 0.075 4.035 3.960 -0.001 0.000 0.213 539 G HA3 0.075 4.035 3.960 -0.001 0.000 0.213 539 G C 0.415 175.403 174.900 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 -1.206 117.586 118.700 0.153 0.000 3.046 540 N HA 0.242 4.982 4.740 -0.001 0.000 0.243 540 N C -1.616 173.913 175.510 0.031 0.000 1.452 540 N CA -0.871 52.245 53.050 0.110 0.000 0.882 540 N CB 0.941 39.498 38.487 0.116 0.000 1.425 540 N HN -0.189 nan 8.380 nan 0.000 0.517 541 L N 0.396 121.597 121.223 -0.037 0.000 2.371 541 L HA 0.521 4.861 4.340 -0.001 0.000 0.272 541 L C 0.016 176.646 176.870 -0.401 0.000 1.124 541 L CA -0.044 54.664 54.840 -0.220 0.000 0.816 541 L CB 0.320 42.233 42.059 -0.244 0.000 1.129 541 L HN 0.515 nan 8.230 nan 0.000 0.448 542 I N 2.790 123.061 120.570 -0.498 0.000 2.499 542 I HA 0.357 4.527 4.170 -0.001 0.000 0.288 542 I C -1.000 174.805 176.117 -0.520 0.000 1.048 542 I CA -0.386 60.659 61.300 -0.425 0.000 1.062 542 I CB 1.475 39.339 38.000 -0.228 0.000 1.238 542 I HN 0.295 nan 8.210 nan 0.000 0.426 543 F N 2.921 122.823 119.950 -0.079 0.000 2.443 543 F HA 0.618 5.144 4.527 -0.001 0.000 0.335 543 F C 0.993 176.758 175.800 -0.058 0.000 1.104 543 F CA -0.736 57.232 58.000 -0.053 0.000 1.013 543 F CB 1.850 40.821 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 0.342 4.301 3.960 -0.001 0.000 0.284 544 G HA3 0.342 4.301 3.960 -0.001 0.000 0.284 544 G C -0.502 174.420 174.900 0.036 0.000 1.172 544 G CA -0.716 44.417 45.100 0.055 0.000 0.854 544 G HN 0.559 nan 8.290 nan 0.000 0.485 545 K N 0.696 121.093 120.400 -0.004 0.000 2.285 545 K HA 0.032 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 -0.077 56.186 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 -0.295 176.279 176.600 -0.043 0.000 1.031 546 E CA 0.977 57.342 56.400 -0.059 0.000 0.911 546 E CB 0.116 29.760 29.700 -0.093 0.000 0.986 546 E HN 0.630 nan 8.360 nan 0.000 0.446 547 G N 3.684 112.471 108.800 -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 -0.409 174.479 174.900 -0.020 0.000 0.989 547 G CA 0.095 45.184 45.100 -0.019 0.000 1.252 547 G HN 0.629 nan 8.290 nan 0.000 0.483 548 T N 1.403 115.950 114.554 -0.012 0.000 3.578 548 T HA 0.459 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 1.177 70.035 68.868 -0.017 0.000 1.160 548 T HN 0.795 nan 8.240 nan 0.000 0.469 549 T N 2.509 117.056 114.554 -0.011 0.000 2.939 549 T HA 0.168 4.518 4.350 -0.001 0.000 0.312 549 T C 1.630 176.324 174.700 -0.010 0.000 1.064 549 T CA 0.279 62.373 62.100 -0.010 0.000 1.136 549 T CB 0.475 69.335 68.868 -0.012 0.000 1.035 549 T HN 0.768 nan 8.240 nan 0.000 0.538 550 A N 2.514 125.329 122.820 -0.008 0.000 2.206 550 A HA 0.219 4.539 4.320 -0.001 0.000 0.211 550 A C 1.426 178.999 177.584 -0.018 0.000 1.158 550 A CA 0.262 52.292 52.037 -0.011 0.000 0.761 550 A CB 0.162 19.158 19.000 -0.007 0.000 0.801 550 A HN 0.608 nan 8.150 nan 0.000 0.473 551 S N 0.144 115.833 115.700 -0.018 0.000 2.530 551 S HA 0.417 4.887 4.470 -0.001 0.000 0.322 551 S C -0.461 174.127 174.600 -0.020 0.000 1.085 551 S CA -0.702 57.484 58.200 -0.022 0.000 1.096 551 S CB -0.304 62.883 63.200 -0.022 0.000 0.988 551 S HN 0.539 nan 8.310 nan 0.000 0.466 552 N N 2.266 120.953 118.700 -0.022 0.000 2.620 552 N HA -0.202 4.537 4.740 -0.001 0.000 0.293 552 N C -0.498 175.002 175.510 -0.017 0.000 1.178 552 N CA 0.661 53.700 53.050 -0.018 0.000 0.750 552 N CB -0.420 38.057 38.487 -0.017 0.000 0.949 552 N HN 0.670 nan 8.380 nan 0.000 0.555 553 A N 1.209 124.018 122.820 -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 51.478 52.037 -0.019 0.000 0.827 553 A CB 1.026 20.013 19.000 -0.021 0.000 1.178 553 A HN 0.496 nan 8.150 nan 0.000 0.490 554 E N 0.122 120.309 120.200 -0.020 0.000 2.408 554 E HA 0.180 4.530 4.350 -0.001 0.000 0.259 554 E C 0.884 177.467 176.600 -0.029 0.000 1.110 554 E CA -0.173 56.215 56.400 -0.020 0.000 0.929 554 E CB 0.573 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 2.434 123.640 121.223 -0.027 0.000 2.265 555 L HA -0.106 4.234 4.340 -0.001 0.000 0.215 555 L C 0.762 177.600 176.870 -0.053 0.000 1.117 555 L CA 1.799 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 0.550 nan 8.230 nan 0.000 0.441 556 D N -0.706 119.670 120.400 -0.041 0.000 2.349 556 D HA -0.037 4.602 4.640 -0.001 0.000 0.224 556 D C 0.917 177.190 176.300 -0.045 0.000 1.029 556 D CA 0.327 54.302 54.000 -0.043 0.000 0.879 556 D CB -0.008 40.771 40.800 -0.036 0.000 0.906 556 D HN 0.412 nan 8.370 nan 0.000 0.528 557 N N 0.052 118.726 118.700 -0.044 0.000 2.205 557 N HA 0.026 4.765 4.740 -0.001 0.000 0.201 557 N C 0.237 175.722 175.510 -0.041 0.000 1.128 557 N CA 0.068 53.093 53.050 -0.041 0.000 0.867 557 N CB 1.609 40.076 38.487 -0.033 0.000 0.996 557 N HN 0.097 nan 8.380 nan 0.000 0.503 558 V N -2.122 117.761 119.914 -0.051 0.000 3.113 558 V HA 0.661 4.780 4.120 -0.001 0.000 0.316 558 V C -0.375 175.685 176.094 -0.058 0.000 1.125 558 V CA -0.980 61.289 62.300 -0.051 0.000 1.026 558 V CB 2.448 34.227 31.823 -0.072 0.000 1.080 558 V HN -0.185 nan 8.190 nan 0.000 0.444 559 M N 2.839 122.419 119.600 -0.032 0.000 2.085 559 M HA 0.585 5.065 4.480 -0.001 0.000 0.309 559 M C -1.019 175.248 176.300 -0.056 0.000 0.947 559 M CA -0.135 55.152 55.300 -0.022 0.000 0.918 559 M CB 1.676 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 2.353 122.850 120.570 -0.122 0.000 2.428 560 I HA 0.370 4.540 4.170 -0.001 0.000 0.296 560 I C 0.586 176.640 176.117 -0.105 0.000 0.985 560 I CA -0.681 60.511 61.300 -0.179 0.000 1.260 560 I CB 1.801 39.601 38.000 -0.333 0.000 1.389 560 I HN 0.605 nan 8.210 nan 0.000 0.484 561 T N 0.295 114.782 114.554 -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 -0.847 61.202 62.100 -0.085 0.000 1.019 561 T CB 1.467 70.166 68.868 -0.281 0.000 0.923 561 T HN 0.372 nan 8.240 nan 0.000 0.468 562 D N 2.167 122.646 120.400 0.131 0.000 2.274 562 D HA 0.204 4.843 4.640 -0.001 0.000 0.239 562 D C -0.086 176.338 176.300 0.207 0.000 1.104 562 D CA -0.421 53.697 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 0.453 nan 8.370 nan 0.000 0.477 563 E N 3.265 123.568 120.200 0.172 0.000 2.360 563 E HA 0.062 4.411 4.350 -0.001 0.000 0.253 563 E C 0.072 176.691 176.600 0.031 0.000 1.189 563 E CA -0.045 56.434 56.400 0.132 0.000 1.252 563 E CB 0.326 30.110 29.700 0.140 0.000 1.408 563 E HN 0.651 nan 8.360 nan 0.000 0.464 564 E N -0.358 119.844 120.200 0.003 0.000 2.501 564 E HA 0.098 4.448 4.350 -0.001 0.000 0.200 564 E C 0.303 176.870 176.600 -0.054 0.000 1.016 564 E CA 0.035 56.377 56.400 -0.097 0.000 0.921 564 E CB 0.297 29.904 29.700 -0.156 0.000 1.034 564 E HN -0.001 nan 8.360 nan 0.000 0.468 565 E N 1.083 121.264 120.200 -0.032 0.000 2.340 565 E HA 0.081 4.431 4.350 -0.001 0.000 0.194 565 E C 1.705 178.278 176.600 -0.044 0.000 0.996 565 E CA 0.415 56.783 56.400 -0.052 0.000 0.869 565 E CB 0.112 29.763 29.700 -0.082 0.000 0.835 565 E HN 0.533 nan 8.360 nan 0.000 0.493 566 I N -1.891 118.665 120.570 -0.024 0.000 3.855 566 I HA 0.248 4.418 4.170 -0.001 0.000 0.327 566 I C 1.038 177.166 176.117 0.019 0.000 1.359 566 I CA -0.125 61.179 61.300 0.006 0.000 1.142 566 I CB 0.112 38.126 38.000 0.022 0.000 1.041 566 I HN -0.128 nan 8.210 nan 0.000 0.403 567 R N 1.494 121.990 120.500 -0.006 0.000 2.249 567 R HA -0.093 4.246 4.340 -0.001 0.000 0.230 567 R C 1.994 178.297 176.300 0.005 0.000 1.121 567 R CA 1.911 58.003 56.100 -0.013 0.000 0.997 567 R CB -0.364 29.915 30.300 -0.035 0.000 0.867 567 R HN 0.655 nan 8.270 nan 0.000 0.465 568 T N -3.825 110.743 114.554 0.024 0.000 3.057 568 T HA 0.018 4.367 4.350 -0.001 0.000 0.254 568 T C 1.680 176.385 174.700 0.010 0.000 1.094 568 T CA 0.936 63.049 62.100 0.020 0.000 1.088 568 T CB 0.380 69.273 68.868 0.042 0.000 0.934 568 T HN 0.267 nan 8.240 nan 0.000 0.497 569 T N -1.591 112.985 114.554 0.036 0.000 2.964 569 T HA 0.316 4.665 4.350 -0.001 0.000 0.250 569 T C 0.322 175.078 174.700 0.093 0.000 0.982 569 T CA -0.474 61.654 62.100 0.047 0.000 0.959 569 T CB -0.252 68.650 68.868 0.057 0.000 1.141 569 T HN 0.339 nan 8.240 nan 0.000 0.494 570 N N 2.182 120.931 118.700 0.082 0.000 2.319 570 N HA 0.608 5.348 4.740 -0.001 0.000 0.305 570 N C -3.103 172.440 175.510 0.055 0.000 1.103 570 N CA -1.898 51.207 53.050 0.092 0.000 0.815 570 N CB 1.778 40.325 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 0.042 0.000 0.788 571 P CB 0.560 32.335 31.700 0.125 0.000 0.949 572 V N 1.383 121.308 119.914 0.018 0.000 2.614 572 V HA 0.184 4.304 4.120 -0.001 0.000 0.291 572 V C 1.636 177.750 176.094 0.034 0.000 1.049 572 V CA 0.437 62.749 62.300 0.020 0.000 1.038 572 V CB 0.236 32.061 31.823 0.004 0.000 0.980 572 V HN 0.710 nan 8.190 nan 0.000 0.481 573 A N 3.792 126.638 122.820 0.043 0.000 1.902 573 A HA -0.147 4.172 4.320 -0.001 0.000 0.217 573 A C 2.221 179.815 177.584 0.016 0.000 1.181 573 A CA 2.321 54.385 52.037 0.044 0.000 0.623 573 A CB -0.710 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 0.004 0.000 3.014 574 T HA 0.067 4.417 4.350 -0.001 0.000 0.263 574 T C 0.764 175.438 174.700 -0.044 0.000 1.078 574 T CA 0.430 62.512 62.100 -0.029 0.000 1.135 574 T CB -0.160 68.683 68.868 -0.040 0.000 0.895 574 T HN 0.379 nan 8.240 nan 0.000 0.480 575 E N 2.389 122.570 120.200 -0.031 0.000 2.376 575 E HA 0.211 4.561 4.350 -0.001 0.000 0.254 575 E C 0.558 177.147 176.600 -0.019 0.000 1.213 575 E CA -0.322 56.055 56.400 -0.038 0.000 0.945 575 E CB 0.478 30.156 29.700 -0.036 0.000 1.057 575 E HN 0.757 nan 8.360 nan 0.000 0.479 576 Q N -0.331 119.457 119.800 -0.020 0.000 2.700 576 Q HA -0.013 4.327 4.340 -0.001 0.000 0.191 576 Q C 0.655 176.691 176.000 0.059 0.000 1.134 576 Q CA 0.042 55.851 55.803 0.010 0.000 1.193 576 Q CB 0.164 28.900 28.738 -0.004 0.000 1.250 576 Q HN 0.622 nan 8.270 nan 0.000 0.670 577 Y N -1.290 118.985 120.300 -0.041 0.000 2.351 577 Y HA 0.411 4.961 4.550 -0.001 0.000 0.291 577 Y C 0.634 176.520 175.900 -0.024 0.000 1.153 577 Y CA 1.152 59.233 58.100 -0.030 0.000 1.193 577 Y CB 0.833 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 0.399 4.359 3.960 -0.001 0.000 0.281 578 G HA3 0.399 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 0.177 114.747 114.554 0.027 0.000 2.879 579 T HA 0.613 4.963 4.350 -0.001 0.000 0.290 579 T C -0.854 173.866 174.700 0.034 0.000 0.993 579 T CA -0.229 61.885 62.100 0.022 0.000 0.975 579 T CB 1.658 70.526 68.868 -0.001 0.000 0.981 579 T HN 0.616 nan 8.240 nan 0.000 0.439 580 V N 2.165 122.098 119.914 0.031 0.000 2.680 580 V HA 0.852 4.971 4.120 -0.001 0.000 0.309 580 V C 0.347 176.451 176.094 0.016 0.000 1.052 580 V CA -1.202 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 3.158 125.987 122.820 0.015 0.000 2.322 581 A HA 0.677 4.997 4.320 -0.001 0.000 0.269 581 A C 0.422 178.011 177.584 0.008 0.000 1.094 581 A CA -0.381 51.662 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 1.135 119.838 118.700 0.005 0.000 2.604 582 N HA 0.122 4.862 4.740 -0.001 0.000 0.284 582 N C -1.202 174.310 175.510 0.003 0.000 1.716 582 N CA -0.419 52.633 53.050 0.003 0.000 0.859 582 N CB 0.111 38.598 38.487 0.001 0.000 1.403 582 N HN 0.739 nan 8.380 nan 0.000 0.501 583 N N -0.209 118.494 118.700 0.004 0.000 3.355 583 N HA 0.202 4.941 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 0.719 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 0.121 176.995 176.870 0.006 0.000 1.088 584 L CA -0.851 53.993 54.840 0.007 0.000 0.975 584 L CB 0.504 42.567 42.059 0.007 0.000 1.341 584 L HN 0.601 nan 8.230 nan 0.000 0.431 585 Q N 2.011 121.814 119.800 0.006 0.000 2.349 585 Q HA 0.407 4.747 4.340 -0.001 0.000 0.287 585 Q C 0.040 176.043 176.000 0.004 0.000 1.044 585 Q CA -0.004 55.802 55.803 0.004 0.000 0.918 585 Q CB 1.138 29.879 28.738 0.004 0.000 1.242 585 Q HN 0.558 nan 8.270 nan 0.000 0.405 586 S N 0.469 116.170 115.700 0.002 0.000 2.757 586 S HA 0.429 4.898 4.470 -0.001 0.000 0.285 586 S C 0.448 175.048 174.600 -0.000 0.000 1.196 586 S CA -0.308 57.893 58.200 0.002 0.000 0.856 586 S CB 0.323 63.525 63.200 0.003 0.000 1.212 586 S HN 0.858 nan 8.310 nan 0.000 0.516 587 S N 1.228 116.927 115.700 -0.001 0.000 2.399 587 S HA -0.092 4.378 4.470 -0.001 0.000 0.231 587 S C 1.254 175.853 174.600 -0.002 0.000 1.022 587 S CA 1.110 59.308 58.200 -0.002 0.000 0.983 587 S CB -0.874 62.324 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 0.043 4.783 4.740 -0.001 0.000 0.179 588 N C -0.053 175.456 175.510 -0.002 0.000 1.016 588 N CA 0.926 53.975 53.050 -0.001 0.000 0.876 588 N CB -0.136 38.350 38.487 -0.001 0.000 0.979 588 N HN 0.424 nan 8.380 nan 0.000 0.432 589 T N 0.417 114.970 114.554 -0.001 0.000 2.807 589 T HA 0.616 4.965 4.350 -0.001 0.000 0.279 589 T C -0.342 174.357 174.700 -0.002 0.000 0.993 589 T CA -0.806 61.293 62.100 -0.001 0.000 0.970 589 T CB 2.416 71.284 68.868 -0.000 0.000 0.950 589 T HN 0.104 nan 8.240 nan 0.000 0.441 590 A N 4.942 127.761 122.820 -0.003 0.000 2.328 590 A HA 0.624 4.944 4.320 -0.001 0.000 0.284 590 A C -2.157 175.425 177.584 -0.002 0.000 1.160 590 A CA -1.662 50.373 52.037 -0.003 0.000 0.818 590 A CB -0.259 18.738 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 -0.318 176.981 177.300 -0.001 0.000 1.183 591 P CA 0.553 63.653 63.100 -0.000 0.000 0.761 591 P CB 0.276 31.977 31.700 0.001 0.000 0.785 592 T N 2.561 117.115 114.554 -0.001 0.000 2.867 592 T HA 0.408 4.758 4.350 -0.001 0.000 0.282 592 T C 0.178 174.877 174.700 -0.001 0.000 1.000 592 T CA -0.222 61.877 62.100 -0.002 0.000 1.042 592 T CB 0.955 69.822 68.868 -0.003 0.000 0.973 592 T HN 0.235 nan 8.240 nan 0.000 0.465 593 T N 3.352 117.904 114.554 -0.004 0.000 2.824 593 T HA 0.528 4.877 4.350 -0.001 0.000 0.282 593 T C -0.469 174.228 174.700 -0.005 0.000 0.993 593 T CA -0.761 61.337 62.100 -0.003 0.000 0.967 593 T CB 1.116 69.981 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 0.389 4.729 4.340 -0.001 0.000 0.306 594 R C -0.840 175.461 176.300 0.001 0.000 0.958 594 R CA -0.473 55.624 56.100 -0.004 0.000 0.861 594 R CB 1.460 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 3.378 117.929 114.554 -0.005 0.000 2.779 595 T HA 0.067 4.417 4.350 -0.001 0.000 0.296 595 T C -0.173 174.531 174.700 0.006 0.000 0.938 595 T CA -0.034 62.066 62.100 0.000 0.000 1.119 595 T CB 0.649 69.510 68.868 -0.012 0.000 0.891 595 T HN 0.352 nan 8.240 nan 0.000 0.526 596 V N 5.844 125.779 119.914 0.036 0.000 2.408 596 V HA 0.272 4.391 4.120 -0.001 0.000 0.267 596 V C 0.603 176.717 176.094 0.033 0.000 1.047 596 V CA -0.343 61.978 62.300 0.034 0.000 0.937 596 V CB 0.459 32.327 31.823 0.075 0.000 0.999 596 V HN 0.833 nan 8.190 nan 0.000 0.472 597 N N 4.464 123.143 118.700 -0.034 0.000 2.254 597 N HA 0.149 4.889 4.740 -0.001 0.000 0.190 597 N C -0.418 175.014 175.510 -0.130 0.000 1.107 597 N CA 0.156 53.165 53.050 -0.067 0.000 0.869 597 N CB 0.614 39.040 38.487 -0.102 0.000 0.983 597 N HN 0.787 nan 8.380 nan 0.000 0.487 598 D N 0.649 120.962 120.400 -0.145 0.000 2.855 598 D HA 0.188 4.828 4.640 -0.001 0.000 0.241 598 D C -1.537 174.633 176.300 -0.217 0.000 1.277 598 D CA -0.351 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 4.997 4.340 -0.001 0.000 0.270 599 Q C 0.095 175.916 176.000 -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 4.449 3.960 -0.001 0.000 0.258 600 G HA3 0.490 4.449 3.960 -0.001 0.000 0.258 600 G C -0.675 174.080 174.900 -0.242 0.000 1.487 600 G CA -0.046 44.923 45.100 -0.218 0.000 1.058 600 G HN 0.793 nan 8.290 nan 0.000 0.552 601 A N -1.269 121.404 122.820 -0.245 0.000 2.306 601 A HA 0.746 5.066 4.320 -0.001 0.000 0.314 601 A C -0.606 176.948 177.584 -0.050 0.000 1.164 601 A CA -0.405 51.519 52.037 -0.189 0.000 0.822 601 A CB 0.788 19.595 19.000 -0.322 0.000 1.130 601 A HN 0.512 nan 8.150 nan 0.000 0.496 602 L N 2.096 123.346 121.223 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 2.672 44.780 42.059 0.082 0.000 1.330 602 L HN 0.439 nan 8.230 nan 0.000 0.410 603 P HA 0.168 nan 4.420 nan 0.000 0.262 603 P C 0.680 178.102 177.300 0.204 0.000 1.199 603 P CA 0.679 63.884 63.100 0.175 0.000 0.763 603 P CB 0.721 32.499 31.700 0.130 0.000 0.790 604 G N 2.480 111.446 108.800 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 0.398 0.000 0.997 604 G CA -0.530 44.804 45.100 0.389 0.000 0.640 604 G HN 0.437 nan 8.290 nan 0.000 0.496 605 M N 1.502 121.298 119.600 0.327 0.000 2.239 605 M HA 0.478 4.957 4.480 -0.001 0.000 0.348 605 M C 0.696 177.215 176.300 0.365 0.000 1.239 605 M CA 0.213 55.725 55.300 0.353 0.000 1.114 605 M CB 1.277 34.089 32.600 0.353 0.000 1.641 605 M HN 0.590 nan 8.290 nan 0.000 0.453 606 V N 1.208 121.304 119.914 0.303 0.000 2.962 606 V HA 0.949 5.069 4.120 -0.001 0.000 0.313 606 V C -1.534 174.741 176.094 0.303 0.000 1.099 606 V CA -0.653 61.711 62.300 0.106 0.000 0.971 606 V CB 1.860 33.581 31.823 -0.170 0.000 1.028 606 V HN 1.125 nan 8.190 nan 0.000 0.430 607 W N 1.510 122.770 121.300 -0.067 0.000 2.959 607 W HA 0.852 5.512 4.660 -0.001 0.000 0.358 607 W C -1.298 175.194 176.519 -0.045 0.000 1.228 607 W CA -0.762 56.555 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 0.457 4.796 4.340 -0.001 0.000 0.269 608 Q C -1.085 175.036 176.000 0.202 0.000 1.051 608 Q CA -0.318 55.526 55.803 0.068 0.000 0.869 608 Q CB 1.723 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 0.123 120.581 120.400 0.096 0.000 2.440 609 D HA 0.365 5.005 4.640 -0.001 0.000 0.258 609 D C -0.463 175.905 176.300 0.114 0.000 1.092 609 D CA -0.514 53.587 54.000 0.168 0.000 1.016 609 D CB 0.851 41.758 40.800 0.177 0.000 1.141 609 D HN 0.349 nan 8.370 nan 0.000 0.552 610 R N 0.564 121.154 120.500 0.151 0.000 2.679 610 R HA 0.076 4.416 4.340 -0.001 0.000 0.268 610 R C -0.133 176.259 176.300 0.152 0.000 1.044 610 R CA 0.070 56.259 56.100 0.149 0.000 1.105 610 R CB 0.335 30.736 30.300 0.168 0.000 0.989 610 R HN 0.416 nan 8.270 nan 0.000 0.447 611 D N 0.451 120.905 120.400 0.090 0.000 2.371 611 D HA 0.171 4.810 4.640 -0.001 0.000 0.242 611 D C -0.639 175.498 176.300 -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 41.599 40.800 -0.230 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 -0.453 0.000 2.715 612 V HA 0.616 4.735 4.120 -0.001 0.000 0.310 612 V C -1.146 174.665 176.094 -0.471 0.000 1.054 612 V CA -0.727 61.342 62.300 -0.386 0.000 0.928 612 V CB 1.100 32.690 31.823 -0.388 0.000 1.007 612 V HN 0.455 nan 8.190 nan 0.000 0.437 613 Y N 2.343 122.711 120.300 0.113 0.000 2.509 613 Y HA 0.576 5.126 4.550 -0.001 0.000 0.341 613 Y C 0.813 176.473 175.900 -0.400 0.000 1.038 613 Y CA -0.909 57.196 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 1.602 122.372 121.223 -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 2.071 56.095 54.840 -1.360 0.000 0.764 614 L CB -0.393 40.936 42.059 -1.216 0.000 0.891 614 L HN 0.822 nan 8.230 nan 0.000 0.435 615 Q N -1.213 118.462 119.800 -0.208 0.000 2.175 615 Q HA 0.316 4.656 4.340 -0.001 0.000 0.225 615 Q C 0.590 176.602 176.000 0.020 0.000 0.837 615 Q CA 0.348 56.168 55.803 0.027 0.000 1.032 615 Q CB -0.323 28.349 28.738 -0.109 0.000 1.137 615 Q HN 0.376 nan 8.270 nan 0.000 0.483 616 G N 2.044 110.981 108.800 0.228 0.000 2.522 616 G HA2 0.517 4.477 3.960 -0.001 0.000 0.304 616 G HA3 0.517 4.477 3.960 -0.001 0.000 0.304 616 G C -2.777 172.346 174.900 0.371 0.000 1.210 616 G CA -1.409 43.975 45.100 0.473 0.000 0.960 616 G HN 0.075 nan 8.290 nan 0.000 0.497 617 P HA 0.227 nan 4.420 nan 0.000 0.272 617 P C 0.457 177.803 177.300 0.076 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 -0.516 119.936 120.570 -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 0.634 61.885 61.300 -0.081 0.000 1.447 618 I CB -0.381 37.561 38.000 -0.097 0.000 1.250 618 I HN 0.436 nan 8.210 nan 0.000 0.453 619 W N 1.056 122.509 121.300 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 0.220 0.000 1.190 619 W CA -1.200 56.324 57.345 0.298 0.000 1.011 619 W CB 0.818 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 1.333 124.448 122.820 0.492 0.000 2.555 620 A HA 0.465 4.785 4.320 -0.001 0.000 0.297 620 A C -1.412 176.345 177.584 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 0.723 nan 8.150 nan 0.000 0.399 621 K N 2.301 122.827 120.400 0.208 0.000 2.412 621 K HA 0.387 4.707 4.320 -0.001 0.000 0.281 621 K C -0.654 175.913 176.600 -0.055 0.000 1.027 621 K CA -0.046 56.185 56.287 -0.094 0.000 0.989 621 K CB 0.145 32.403 32.500 -0.404 0.000 0.935 621 K HN 0.579 nan 8.250 nan 0.000 0.475 622 I N 7.761 128.246 120.570 -0.142 0.000 2.379 622 I HA 0.114 4.284 4.170 -0.001 0.000 0.290 622 I C -1.859 174.178 176.117 -0.134 0.000 1.063 622 I CA -2.285 58.921 61.300 -0.157 0.000 1.351 622 I CB 0.935 38.761 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 -0.515 176.859 177.300 0.124 0.000 1.182 623 P CA 0.183 63.321 63.100 0.064 0.000 0.761 623 P CB 0.193 31.954 31.700 0.103 0.000 0.795 624 H N 2.475 121.567 119.070 0.036 0.000 3.216 624 H HA 0.239 4.794 4.556 -0.001 0.000 0.263 624 H C 0.272 175.654 175.328 0.090 0.000 1.601 624 H CA 0.083 56.167 56.048 0.060 0.000 1.509 624 H CB -0.504 29.262 29.762 0.007 0.000 1.759 624 H HN 0.333 nan 8.280 nan 0.000 0.533 625 T N -0.460 114.108 114.554 0.025 0.000 2.905 625 T HA 0.151 4.501 4.350 -0.001 0.000 0.283 625 T C 0.930 175.490 174.700 -0.234 0.000 1.031 625 T CA -0.937 61.128 62.100 -0.057 0.000 1.002 625 T CB 1.293 70.140 68.868 -0.035 0.000 1.200 625 T HN 0.229 nan 8.240 nan 0.000 0.560 626 D N 0.458 120.749 120.400 -0.183 0.000 2.224 626 D HA 0.192 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 1.096 54.981 54.000 -0.192 0.000 0.852 626 D CB -0.222 40.519 40.800 -0.098 0.000 0.947 626 D HN 0.812 nan 8.370 nan 0.000 0.494 627 G N -0.722 107.828 108.800 -0.416 0.000 2.682 627 G HA2 0.536 4.495 3.960 -0.001 0.000 0.300 627 G HA3 0.536 4.495 3.960 -0.001 0.000 0.300 627 G C -1.108 173.447 174.900 -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 0.973 120.066 119.070 0.039 0.000 2.949 628 H HA 0.553 5.108 4.556 -0.001 0.000 0.356 628 H C -0.677 174.753 175.328 0.171 0.000 1.212 628 H CA -0.651 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 0.101 120.155 119.950 0.172 0.000 2.376 629 F HA 0.174 4.701 4.527 -0.001 0.000 0.234 629 F C 0.507 176.451 175.800 0.239 0.000 1.010 629 F CA 0.375 58.475 58.000 0.166 0.000 1.100 629 F CB 0.438 39.512 39.000 0.123 0.000 1.360 629 F HN 0.474 nan 8.300 nan 0.000 0.649 630 H N 2.175 121.265 119.070 0.033 0.000 2.643 630 H HA 0.314 4.869 4.556 -0.001 0.000 0.259 630 H C -2.127 173.264 175.328 0.104 0.000 1.298 630 H CA -1.884 54.158 56.048 -0.010 0.000 1.301 630 H CB 0.769 30.639 29.762 0.180 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 0.101 177.396 177.300 -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 31.381 31.700 -0.146 0.000 1.490 632 S N 1.553 117.284 115.700 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 -1.703 56.561 58.200 0.105 0.000 1.050 632 S CB -0.188 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 0.030 nan 4.420 nan 0.000 0.262 633 P C 0.596 177.969 177.300 0.121 0.000 1.182 633 P CA 0.129 63.299 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 2.251 123.540 121.223 0.110 0.000 2.201 634 L HA -0.093 4.247 4.340 -0.001 0.000 0.212 634 L C 2.019 178.958 176.870 0.115 0.000 1.105 634 L CA 1.366 56.272 54.840 0.111 0.000 0.775 634 L CB -0.474 41.638 42.059 0.087 0.000 0.913 634 L HN 0.472 nan 8.230 nan 0.000 0.440 635 M N -0.520 119.146 119.600 0.109 0.000 2.659 635 M HA 0.151 4.631 4.480 -0.001 0.000 0.243 635 M C 0.814 177.206 176.300 0.153 0.000 1.111 635 M CA 0.494 55.865 55.300 0.118 0.000 1.070 635 M CB -0.194 32.461 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 4.237 3.960 -0.001 0.000 0.686 636 G HA3 0.278 4.237 3.960 -0.001 0.000 0.686 636 G C -0.273 174.685 174.900 0.098 0.000 1.256 636 G CA -0.575 44.600 45.100 0.125 0.000 0.826 636 G HN 0.777 nan 8.290 nan 0.000 0.619 637 G N -1.028 107.766 108.800 -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 -0.445 174.332 174.900 -0.204 0.000 1.247 637 G CA 0.056 45.091 45.100 -0.108 0.000 1.020 637 G HN 1.722 nan 8.290 nan 0.000 0.529 638 F N 1.827 121.935 119.950 0.263 0.000 2.411 638 F HA 0.586 5.113 4.527 -0.001 0.000 0.352 638 F C 1.099 177.036 175.800 0.228 0.000 1.123 638 F CA 0.168 58.303 58.000 0.226 0.000 1.044 638 F CB 2.068 41.213 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 -1.016 173.955 174.900 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 2.931 124.206 121.223 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 53.726 54.840 0.001 0.000 0.820 640 L CB 2.333 44.420 42.059 0.046 0.000 1.270 640 L HN 0.434 nan 8.230 nan 0.000 0.415 641 K N 0.924 121.183 120.400 -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 0.265 119.167 119.070 -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 -2.122 53.702 56.048 -0.375 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 0.155 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 -1.879 61.045 63.100 -0.293 0.000 0.800 643 P CB 0.025 31.564 31.700 -0.269 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 -0.268 62.110 63.100 -1.204 0.000 0.762 644 P CB -1.123 29.906 31.700 -1.118 0.000 0.764 645 P HA 0.030 nan 4.420 nan 0.000 0.272 645 P C -0.485 176.734 177.300 -0.134 0.000 1.240 645 P CA -0.037 63.016 63.100 -0.080 0.000 0.791 645 P CB 0.718 32.271 31.700 -0.244 0.000 0.978 646 Q N 0.630 120.328 119.800 -0.170 0.000 2.286 646 Q HA 0.331 4.671 4.340 -0.001 0.000 0.257 646 Q C -0.453 175.238 176.000 -0.515 0.000 0.941 646 Q CA -0.282 55.327 55.803 -0.323 0.000 0.912 646 Q CB 0.217 28.711 28.738 -0.406 0.000 1.192 646 Q HN 0.329 nan 8.270 nan 0.000 0.410 647 I N 3.039 123.340 120.570 -0.448 0.000 2.337 647 I HA 0.184 4.354 4.170 -0.001 0.000 0.285 647 I C -0.510 175.375 176.117 -0.388 0.000 1.041 647 I CA -0.209 60.773 61.300 -0.529 0.000 1.199 647 I CB 0.618 38.261 38.000 -0.596 0.000 1.370 647 I HN 0.478 nan 8.210 nan 0.000 0.470 648 M N 6.587 125.760 119.600 -0.710 0.000 2.274 648 M HA 0.550 5.030 4.480 -0.001 0.000 0.344 648 M C -0.647 175.635 176.300 -0.029 0.000 1.161 648 M CA -0.248 54.770 55.300 -0.470 0.000 1.126 648 M CB 1.202 33.170 32.600 -1.054 0.000 1.522 648 M HN 0.508 nan 8.290 nan 0.000 0.461 649 I N 3.119 123.839 120.570 0.249 0.000 2.722 649 I HA 0.683 4.852 4.170 -0.001 0.000 0.292 649 I C -1.831 174.285 176.117 -0.002 0.000 1.267 649 I CA -0.294 61.085 61.300 0.132 0.000 1.036 649 I CB 1.636 39.624 38.000 -0.019 0.000 1.281 649 I HN 0.679 nan 8.210 nan 0.000 0.423 650 K N 3.971 124.224 120.400 -0.246 0.000 2.578 650 K HA 0.558 4.878 4.320 -0.001 0.000 0.269 650 K C -1.904 174.521 176.600 -0.292 0.000 0.941 650 K CA -0.666 55.372 56.287 -0.415 0.000 0.847 650 K CB 0.707 32.583 32.500 -1.039 0.000 1.397 650 K HN 0.347 nan 8.250 nan 0.000 0.422 651 N N 1.304 119.908 118.700 -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 -0.142 0.000 1.169 651 N CA -0.213 52.786 53.050 -0.085 0.000 0.947 651 N CB 0.915 39.403 38.487 0.001 0.000 1.061 651 N HN 0.683 nan 8.380 nan 0.000 0.466 652 T N 3.651 118.122 114.554 -0.139 0.000 2.888 652 T HA 0.148 4.497 4.350 -0.001 0.000 0.301 652 T C -2.178 172.360 174.700 -0.269 0.000 1.001 652 T CA -0.700 61.289 62.100 -0.184 0.000 1.147 652 T CB 0.298 69.104 68.868 -0.103 0.000 0.931 652 T HN 0.266 nan 8.240 nan 0.000 0.541 653 P HA 0.152 nan 4.420 nan 0.000 0.263 653 P C -0.920 176.206 177.300 -0.290 0.000 1.195 653 P CA -0.132 62.464 63.100 -0.840 0.000 0.762 653 P CB 0.344 31.434 31.700 -1.016 0.000 0.799 654 V N 7.062 126.925 119.914 -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 1.349 33.207 31.823 0.058 0.000 1.021 654 V HN 0.460 nan 8.190 nan 0.000 0.440 655 P HA 0.210 nan 4.420 nan 0.000 0.266 655 P C 0.002 177.361 177.300 0.098 0.000 1.195 655 P CA 0.415 63.514 63.100 -0.001 0.000 0.768 655 P CB 0.772 32.170 31.700 -0.504 0.000 0.838 656 A N 3.111 126.036 122.820 0.174 0.000 2.450 656 A HA 0.251 4.571 4.320 -0.001 0.000 0.281 656 A C 0.104 177.785 177.584 0.161 0.000 1.372 656 A CA -0.668 51.456 52.037 0.145 0.000 0.886 656 A CB -0.332 18.738 19.000 0.116 0.000 1.462 656 A HN 0.591 nan 8.150 nan 0.000 0.514 657 N N 1.063 119.823 118.700 0.101 0.000 2.315 657 N HA 0.164 4.904 4.740 -0.001 0.000 0.270 657 N C -2.435 173.136 175.510 0.102 0.000 1.329 657 N CA -0.432 52.668 53.050 0.084 0.000 0.860 657 N CB 0.074 38.587 38.487 0.043 0.000 1.095 657 N HN 0.334 nan 8.380 nan 0.000 0.487 658 P HA 0.346 nan 4.420 nan 0.000 0.287 658 P C -2.540 174.796 177.300 0.060 0.000 1.270 658 P CA -1.311 61.877 63.100 0.146 0.000 0.844 658 P CB 0.412 32.249 31.700 0.229 0.000 1.068 659 P HA 0.180 nan 4.420 nan 0.000 0.275 659 P C 0.609 177.935 177.300 0.043 0.000 1.227 659 P CA -0.058 63.046 63.100 0.007 0.000 0.781 659 P CB 0.214 31.894 31.700 -0.033 0.000 0.906 660 T N -0.671 113.905 114.554 0.036 0.000 2.977 660 T HA -0.057 4.293 4.350 -0.001 0.000 0.271 660 T C 0.955 175.692 174.700 0.063 0.000 1.105 660 T CA 1.310 63.438 62.100 0.047 0.000 1.116 660 T CB -0.194 68.694 68.868 0.033 0.000 0.878 660 T HN 0.476 nan 8.240 nan 0.000 0.509 661 T N 0.981 115.568 114.554 0.056 0.000 2.867 661 T HA 0.474 4.824 4.350 -0.001 0.000 0.282 661 T C -0.907 173.862 174.700 0.114 0.000 1.000 661 T CA -0.969 61.178 62.100 0.078 0.000 1.042 661 T CB 0.299 69.191 68.868 0.039 0.000 0.973 661 T HN 0.138 nan 8.240 nan 0.000 0.465 662 F N 4.625 124.582 119.950 0.011 0.000 2.506 662 F HA 0.489 5.016 4.527 -0.001 0.000 0.371 662 F C 0.298 176.104 175.800 0.010 0.000 1.078 662 F CA -0.318 57.693 58.000 0.018 0.000 1.195 662 F CB 0.354 39.367 39.000 0.022 0.000 1.099 662 F HN 0.399 nan 8.300 nan 0.000 0.548 663 S N 7.580 122.890 115.700 -0.650 0.000 2.498 663 S HA 0.503 4.973 4.470 -0.001 0.000 0.317 663 S C -1.685 172.408 174.600 -0.844 0.000 1.090 663 S CA -1.369 56.441 58.200 -0.651 0.000 1.089 663 S CB 1.287 64.294 63.200 -0.322 0.000 0.997 663 S HN 0.559 nan 8.310 nan 0.000 0.470 664 P HA 0.188 nan 4.420 nan 0.000 0.222 664 P C 0.292 177.493 177.300 -0.166 0.000 1.153 664 P CA 0.254 63.114 63.100 -0.400 0.000 0.798 664 P CB -0.108 31.465 31.700 -0.211 0.000 0.796 665 A N 0.871 123.586 122.820 -0.175 0.000 2.586 665 A HA -0.065 4.255 4.320 -0.001 0.000 0.231 665 A C 0.619 178.172 177.584 -0.051 0.000 1.055 665 A CA -0.026 51.951 52.037 -0.101 0.000 0.756 665 A CB -0.417 18.508 19.000 -0.125 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 -0.731 175.903 176.600 0.056 0.000 0.993 666 K CA 0.256 56.587 56.287 0.073 0.000 1.030 666 K CB 0.040 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 3.020 122.974 119.950 0.007 0.000 2.467 667 F HA 0.215 4.742 4.527 -0.001 0.000 0.362 667 F C 0.705 176.432 175.800 -0.123 0.000 1.090 667 F CA 0.605 58.550 58.000 -0.092 0.000 1.202 667 F CB 1.179 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 3.033 125.720 122.820 -0.221 0.000 2.474 668 A HA 0.156 4.475 4.320 -0.001 0.000 0.221 668 A C 0.512 177.982 177.584 -0.190 0.000 1.298 668 A CA 0.081 52.078 52.037 -0.066 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 0.722 116.181 115.700 -0.402 0.000 2.411 669 S HA 0.639 5.109 4.470 -0.001 0.000 0.304 669 S C -0.976 173.510 174.600 -0.191 0.000 1.098 669 S CA -0.250 57.822 58.200 -0.213 0.000 1.068 669 S CB -0.620 62.448 63.200 -0.219 0.000 1.032 669 S HN 0.201 nan 8.310 nan 0.000 0.511 670 F N 3.369 123.456 119.950 0.228 0.000 2.579 670 F HA 0.554 5.080 4.527 -0.001 0.000 0.324 670 F C 0.418 176.306 175.800 0.148 0.000 1.058 670 F CA -1.194 56.932 58.000 0.210 0.000 0.944 670 F CB 1.308 40.462 39.000 0.257 0.000 1.245 670 F HN 0.296 nan 8.300 nan 0.000 0.477 671 I N 1.796 122.572 120.570 0.343 0.000 2.416 671 I HA 0.117 4.286 4.170 -0.001 0.000 0.288 671 I C 0.292 176.531 176.117 0.203 0.000 1.051 671 I CA -0.390 61.036 61.300 0.209 0.000 1.375 671 I CB 0.919 39.008 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 4.756 4.350 -0.001 0.000 0.298 672 T C -0.367 174.400 174.700 0.111 0.000 0.966 672 T CA -0.602 61.566 62.100 0.114 0.000 1.141 672 T CB 0.909 69.821 68.868 0.074 0.000 0.905 672 T HN 0.745 nan 8.240 nan 0.000 0.535 673 Q N 2.054 121.922 119.800 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 0.151 0.000 0.977 673 Q CA -1.346 54.532 55.803 0.124 0.000 0.837 673 Q CB 1.236 30.006 28.738 0.053 0.000 1.454 673 Q HN 0.868 nan 8.270 nan 0.000 0.387 674 Y N -1.020 119.260 120.300 -0.033 0.000 2.633 674 Y HA 0.890 5.440 4.550 -0.001 0.000 0.339 674 Y C -0.791 175.099 175.900 -0.017 0.000 1.045 674 Y CA -0.719 57.355 58.100 -0.042 0.000 1.098 674 Y CB 1.976 40.394 38.460 -0.071 0.000 1.296 674 Y HN 0.871 nan 8.280 nan 0.000 0.494 675 S N 0.339 116.020 115.700 -0.032 0.000 2.599 675 S HA 0.813 5.283 4.470 -0.001 0.000 0.294 675 S C -0.875 173.667 174.600 -0.097 0.000 1.094 675 S CA -0.451 57.692 58.200 -0.095 0.000 0.931 675 S CB 1.852 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 -0.314 113.996 114.554 -0.406 0.000 2.932 676 T HA 0.762 5.112 4.350 -0.001 0.000 0.318 676 T C -0.325 173.674 174.700 -1.168 0.000 1.265 676 T CA 0.236 61.831 62.100 -0.842 0.000 1.036 676 T CB 1.032 69.641 68.868 -0.432 0.000 1.209 676 T HN 1.686 nan 8.240 nan 0.000 0.484 677 G N 2.125 109.772 108.800 -1.921 0.000 2.489 677 G HA2 0.551 4.511 3.960 -0.001 0.000 0.305 677 G HA3 0.551 4.511 3.960 -0.001 0.000 0.305 677 G C -1.986 172.224 174.900 -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 -0.570 0.000 2.215 678 Q HA 0.733 5.072 4.340 -0.001 0.000 0.256 678 Q C -0.584 175.221 176.000 -0.324 0.000 0.972 678 Q CA -0.706 54.812 55.803 -0.476 0.000 0.889 678 Q CB 2.396 30.729 28.738 -0.674 0.000 1.281 678 Q HN 0.785 nan 8.270 nan 0.000 0.456 679 V N 0.292 120.145 119.914 -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 -0.291 61.911 62.300 -0.163 0.000 0.901 679 V CB 2.268 34.100 31.823 0.016 0.000 1.003 679 V HN 0.696 nan 8.190 nan 0.000 0.425 680 S N 4.144 119.759 115.700 -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 -0.092 0.000 0.980 680 S CB 1.708 64.971 63.200 0.104 0.000 1.048 680 S HN 0.853 nan 8.310 nan 0.000 0.483 681 V N 4.375 124.190 119.914 -0.166 0.000 2.524 681 V HA 0.476 4.596 4.120 -0.001 0.000 0.297 681 V C -0.496 175.548 176.094 -0.083 0.000 1.035 681 V CA -0.663 61.538 62.300 -0.165 0.000 0.867 681 V CB 1.590 33.211 31.823 -0.337 0.000 1.004 681 V HN 0.897 nan 8.190 nan 0.000 0.426 682 E N 5.349 125.501 120.200 -0.080 0.000 2.145 682 E HA 0.663 5.013 4.350 -0.001 0.000 0.270 682 E C -1.456 175.092 176.600 -0.087 0.000 0.906 682 E CA -0.507 55.849 56.400 -0.074 0.000 0.761 682 E CB 1.459 31.096 29.700 -0.105 0.000 1.116 682 E HN 0.659 nan 8.360 nan 0.000 0.408 683 I N 3.394 123.901 120.570 -0.105 0.000 2.509 683 I HA 0.284 4.454 4.170 -0.001 0.000 0.293 683 I C -0.237 175.672 176.117 -0.348 0.000 1.020 683 I CA -0.818 60.319 61.300 -0.271 0.000 1.088 683 I CB 2.081 39.808 38.000 -0.454 0.000 1.267 683 I HN 0.537 nan 8.210 nan 0.000 0.430 684 E N 5.388 125.333 120.200 -0.425 0.000 2.175 684 E HA 0.353 4.702 4.350 -0.001 0.000 0.278 684 E C -1.946 174.385 176.600 -0.449 0.000 0.969 684 E CA -0.616 55.609 56.400 -0.293 0.000 0.796 684 E CB 1.200 30.798 29.700 -0.169 0.000 1.104 684 E HN 0.393 nan 8.360 nan 0.000 0.395 685 W N 2.883 124.139 121.300 -0.073 0.000 2.587 685 W HA 0.305 4.965 4.660 -0.001 0.000 0.324 685 W C -0.091 176.465 176.519 0.063 0.000 1.040 685 W CA -0.756 56.593 57.345 0.006 0.000 1.222 685 W CB 1.209 30.730 29.460 0.101 0.000 1.381 685 W HN 0.462 nan 8.180 nan 0.000 0.483 686 E N 3.348 123.729 120.200 0.301 0.000 2.227 686 E HA 0.464 4.814 4.350 -0.001 0.000 0.282 686 E C -0.987 175.959 176.600 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 30.611 29.700 0.230 0.000 1.081 686 E HN 0.458 nan 8.360 nan 0.000 0.396 687 L N 3.674 125.175 121.223 0.463 0.000 2.325 687 L HA 0.361 4.701 4.340 -0.001 0.000 0.278 687 L C -0.062 176.919 176.870 0.185 0.000 1.023 687 L CA -0.742 54.344 54.840 0.410 0.000 0.811 687 L CB 1.672 43.906 42.059 0.292 0.000 1.249 687 L HN 0.548 nan 8.230 nan 0.000 0.431 688 Q N 3.216 122.991 119.800 -0.042 0.000 2.368 688 Q HA 0.226 4.566 4.340 -0.001 0.000 0.256 688 Q C -0.818 175.111 176.000 -0.117 0.000 0.980 688 Q CA -0.780 54.824 55.803 -0.333 0.000 0.887 688 Q CB 1.116 29.415 28.738 -0.731 0.000 1.221 688 Q HN 0.341 nan 8.270 nan 0.000 0.458 689 K N 2.327 122.634 120.400 -0.155 0.000 2.258 689 K HA 0.065 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 2.218 122.036 120.200 -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 -1.003 0.000 1.029 690 E CA -0.007 55.605 56.400 -1.314 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 -1.922 173.468 175.510 -0.199 0.000 1.408 691 N CA -0.281 52.483 53.050 -0.476 0.000 0.780 691 N CB 0.961 39.277 38.487 -0.285 0.000 1.191 691 N HN 0.203 nan 8.380 nan 0.000 0.511 692 S N 1.033 116.641 115.700 -0.152 0.000 2.503 692 S HA 0.462 4.932 4.470 -0.001 0.000 0.301 692 S C 0.173 174.801 174.600 0.048 0.000 1.087 692 S CA -0.590 57.658 58.200 0.081 0.000 1.042 692 S CB 0.701 64.027 63.200 0.210 0.000 1.043 692 S HN 0.302 nan 8.310 nan 0.000 0.489 693 K N 2.152 122.607 120.400 0.092 0.000 2.440 693 K HA 0.151 4.470 4.320 -0.001 0.000 0.206 693 K C 0.267 176.949 176.600 0.137 0.000 1.025 693 K CA -0.250 56.095 56.287 0.095 0.000 1.135 693 K CB -0.063 32.492 32.500 0.091 0.000 0.856 693 K HN 0.548 nan 8.250 nan 0.000 0.502 694 R N 0.989 121.569 120.500 0.135 0.000 2.502 694 R HA -0.110 4.230 4.340 -0.001 0.000 0.292 694 R C 1.070 177.471 176.300 0.168 0.000 0.998 694 R CA 0.248 56.440 56.100 0.154 0.000 1.056 694 R CB 0.037 30.420 30.300 0.138 0.000 0.939 694 R HN 0.287 nan 8.270 nan 0.000 0.411 695 W N 5.814 127.133 121.300 0.031 0.000 2.441 695 W HA -0.076 4.584 4.660 -0.001 0.000 0.302 695 W C -0.256 176.276 176.519 0.022 0.000 1.191 695 W CA 0.948 58.306 57.345 0.021 0.000 1.327 695 W CB -0.114 29.357 29.460 0.018 0.000 1.128 695 W HN 0.747 nan 8.180 nan 0.000 0.522 696 N N 1.947 120.761 118.700 0.190 0.000 2.503 696 N HA 0.147 4.886 4.740 -0.001 0.000 0.267 696 N C -2.739 172.778 175.510 0.011 0.000 1.214 696 N CA -1.298 51.802 53.050 0.084 0.000 0.959 696 N CB -0.391 38.192 38.487 0.160 0.000 1.142 696 N HN -0.133 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 0.551 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 0.234 176.890 176.600 0.094 0.000 1.051 698 E CA -1.055 55.395 56.400 0.084 0.000 0.902 698 E CB 0.920 30.691 29.700 0.117 0.000 1.168 698 E HN 0.440 nan 8.360 nan 0.000 0.423 699 I N -0.955 119.683 120.570 0.113 0.000 2.529 699 I HA 0.155 4.325 4.170 -0.001 0.000 0.284 699 I C -0.349 175.927 176.117 0.264 0.000 1.082 699 I CA -0.364 61.021 61.300 0.143 0.000 1.406 699 I CB 0.536 38.592 38.000 0.094 0.000 1.405 699 I HN 0.181 nan 8.210 nan 0.000 0.548 700 Q N 4.870 124.829 119.800 0.265 0.000 2.387 700 Q HA 0.307 4.646 4.340 -0.001 0.000 0.273 700 Q C -1.344 174.842 176.000 0.310 0.000 1.089 700 Q CA -0.807 55.158 55.803 0.270 0.000 0.824 700 Q CB 2.671 31.472 28.738 0.106 0.000 1.367 700 Q HN 0.796 nan 8.270 nan 0.000 0.443 701 Y N 0.830 121.083 120.300 -0.077 0.000 2.346 701 Y HA 0.302 4.851 4.550 -0.001 0.000 0.330 701 Y C -0.117 175.787 175.900 0.007 0.000 1.178 701 Y CA 0.847 58.906 58.100 -0.069 0.000 1.331 701 Y CB 0.972 39.169 38.460 -0.438 0.000 1.253 701 Y HN 0.620 nan 8.280 nan 0.000 0.529 702 T N 3.602 117.791 114.554 -0.609 0.000 2.840 702 T HA 0.444 4.794 4.350 -0.001 0.000 0.317 702 T C -1.224 173.237 174.700 -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 1.856 117.504 115.700 -0.088 0.000 2.632 703 S HA 0.408 4.877 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 1.715 120.431 118.700 0.027 0.000 2.416 704 N HA 0.072 4.812 4.740 -0.001 0.000 0.265 704 N C 0.610 176.131 175.510 0.019 0.000 1.195 704 N CA -0.155 52.902 53.050 0.011 0.000 0.943 704 N CB 0.183 38.636 38.487 -0.056 0.000 1.115 704 N HN 0.738 nan 8.380 nan 0.000 0.481 705 Y N 1.010 121.310 120.300 -0.000 0.000 2.574 705 Y HA 0.049 4.599 4.550 -0.001 0.000 0.294 705 Y C 0.063 175.967 175.900 0.007 0.000 1.142 705 Y CA -0.406 57.698 58.100 0.006 0.000 1.314 705 Y CB -0.235 38.227 38.460 0.003 0.000 0.991 705 Y HN 0.314 nan 8.280 nan 0.000 0.555 706 N N 2.823 121.153 118.700 -0.615 0.000 2.441 706 N HA -0.064 4.675 4.740 -0.001 0.000 0.251 706 N C -0.366 175.025 175.510 -0.200 0.000 1.242 706 N CA -0.001 52.746 53.050 -0.504 0.000 0.898 706 N CB 0.557 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 32.639 32.500 -0.048 0.000 0.881 707 K HN 0.441 nan 8.250 nan 0.000 0.475 708 S N 2.746 118.419 115.700 -0.046 0.000 2.634 708 S HA 0.351 4.821 4.470 -0.001 0.000 0.296 708 S C 0.861 175.443 174.600 -0.030 0.000 1.104 708 S CA -1.044 57.130 58.200 -0.042 0.000 0.920 708 S CB 1.569 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 2.709 122.604 119.914 -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 63.669 62.300 -0.030 0.000 0.991 709 V CB -0.831 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 5.218 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 -0.613 52.417 53.050 -0.033 0.000 0.931 710 N CB 2.062 40.516 38.487 -0.056 0.000 1.193 710 N HN 0.079 nan 8.380 nan 0.000 0.500 711 V N 1.397 121.309 119.914 -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 0.028 0.000 1.051 711 V CA -0.398 61.921 62.300 0.030 0.000 1.010 711 V CB 0.825 32.686 31.823 0.062 0.000 0.988 711 V HN 0.610 nan 8.190 nan 0.000 0.478 712 D N 4.254 124.694 120.400 0.068 0.000 2.493 712 D HA 0.183 4.823 4.640 -0.001 0.000 0.240 712 D C 0.109 176.543 176.300 0.223 0.000 1.142 712 D CA 0.596 54.638 54.000 0.069 0.000 0.872 712 D CB -0.051 40.875 40.800 0.211 0.000 1.173 712 D HN 0.476 nan 8.370 nan 0.000 0.467 713 F N -0.149 119.762 119.950 -0.064 0.000 2.781 713 F HA -0.263 4.264 4.527 -0.001 0.000 0.350 713 F C 0.322 176.149 175.800 0.046 0.000 1.048 713 F CA 0.344 58.288 58.000 -0.092 0.000 1.134 713 F CB -1.763 37.299 39.000 0.104 0.000 1.440 713 F HN 0.163 nan 8.300 nan 0.000 0.799 714 T N -0.835 113.682 114.554 -0.060 0.000 2.792 714 T HA 0.686 5.036 4.350 -0.001 0.000 0.303 714 T C -0.181 174.470 174.700 -0.081 0.000 1.310 714 T CA -0.427 61.714 62.100 0.070 0.000 1.007 714 T CB 2.145 71.049 68.868 0.059 0.000 1.335 714 T HN 0.363 nan 8.240 nan 0.000 0.504 715 V N 0.384 120.255 119.914 -0.071 0.000 2.953 715 V HA 0.706 4.825 4.120 -0.001 0.000 0.304 715 V C 0.038 176.084 176.094 -0.080 0.000 1.073 715 V CA -0.631 61.593 62.300 -0.128 0.000 1.064 715 V CB 0.648 32.370 31.823 -0.168 0.000 1.047 715 V HN 0.990 nan 8.190 nan 0.000 0.478 716 D N 0.997 121.350 120.400 -0.077 0.000 2.589 716 D HA 0.293 4.933 4.640 -0.001 0.000 0.268 716 D C 1.420 177.698 176.300 -0.036 0.000 1.182 716 D CA 0.256 54.221 54.000 -0.057 0.000 1.087 716 D CB -0.007 40.753 40.800 -0.067 0.000 1.186 716 D HN 0.670 nan 8.370 nan 0.000 0.620 717 T N -2.149 112.387 114.554 -0.030 0.000 2.737 717 T HA -0.242 4.107 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 1.665 63.753 62.100 -0.019 0.000 1.142 717 T CB -0.976 67.880 68.868 -0.019 0.000 0.861 717 T HN 0.604 nan 8.240 nan 0.000 0.456 718 N N 0.862 119.550 118.700 -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 -0.085 52.957 53.050 -0.013 0.000 0.878 718 N CB 0.082 38.561 38.487 -0.013 0.000 1.138 718 N HN 0.576 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 -0.158 3.802 3.960 -0.001 0.000 0.281 719 G HA3 -0.158 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 45.220 45.100 -0.021 0.000 1.339 719 G HN 0.355 nan 8.290 nan 0.000 0.485 720 V N 2.856 122.737 119.914 -0.054 0.000 2.532 720 V HA 0.366 4.485 4.120 -0.001 0.000 0.294 720 V C -0.040 176.004 176.094 -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 -0.238 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 -0.165 0.000 1.177 721 Y CA 0.308 58.231 58.100 -0.294 0.000 1.422 721 Y CB 1.059 39.279 38.460 -0.401 0.000 1.271 721 Y HN 0.734 nan 8.280 nan 0.000 0.550 722 S N 4.398 119.588 115.700 -0.850 0.000 2.572 722 S HA 0.441 4.911 4.470 -0.001 0.000 0.274 722 S C -1.600 172.499 174.600 -0.834 0.000 1.150 722 S CA -1.189 56.627 58.200 -0.640 0.000 0.944 722 S CB 1.371 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 2.999 122.813 120.200 -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 -2.088 53.870 56.400 -0.736 0.000 0.817 723 E CB 0.737 30.284 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 -0.010 177.125 177.300 -0.275 0.000 1.162 724 P CA 1.321 64.120 63.100 -0.501 0.000 0.879 724 P CB 0.227 31.633 31.700 -0.490 0.000 0.786 725 R N -2.015 118.366 120.500 -0.199 0.000 2.808 725 R HA 0.589 4.929 4.340 -0.001 0.000 0.272 725 R C -3.217 173.133 176.300 0.083 0.000 0.995 725 R CA -2.369 53.735 56.100 0.005 0.000 0.917 725 R CB 0.431 30.800 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 -0.596 176.832 177.300 0.214 0.000 1.216 726 P CA -0.259 62.868 63.100 0.044 0.000 0.771 726 P CB 0.482 32.178 31.700 -0.008 0.000 0.864 727 I N 2.690 123.408 120.570 0.247 0.000 2.339 727 I HA 0.310 4.480 4.170 -0.001 0.000 0.290 727 I C 1.271 177.746 176.117 0.596 0.000 0.994 727 I CA -0.265 61.242 61.300 0.345 0.000 1.191 727 I CB 0.857 38.912 38.000 0.091 0.000 1.343 727 I HN 0.415 nan 8.210 nan 0.000 0.458 728 G N 3.626 112.811 108.800 0.641 0.000 2.468 728 G HA2 0.244 4.204 3.960 -0.001 0.000 0.264 728 G HA3 0.244 4.204 3.960 -0.001 0.000 0.264 728 G C 0.510 175.637 174.900 0.378 0.000 1.460 728 G CA 0.300 45.681 45.100 0.468 0.000 1.060 728 G HN 0.572 nan 8.290 nan 0.000 0.543 729 T N -1.613 113.094 114.554 0.255 0.000 3.073 729 T HA 0.170 4.520 4.350 -0.001 0.000 0.264 729 T C 0.797 175.636 174.700 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 1.288 121.914 120.500 0.209 0.000 2.825 730 R HA 0.341 4.681 4.340 -0.001 0.000 0.261 730 R C -0.347 176.005 176.300 0.087 0.000 1.341 730 R CA -0.168 55.978 56.100 0.077 0.000 1.353 730 R CB 0.199 30.442 30.300 -0.094 0.000 1.191 730 R HN 0.337 nan 8.270 nan 0.000 0.590 731 Y N 0.216 120.542 120.300 0.044 0.000 2.559 731 Y HA 0.181 4.731 4.550 -0.001 0.000 0.279 731 Y C 0.952 176.903 175.900 0.084 0.000 1.117 731 Y CA 0.019 58.163 58.100 0.073 0.000 1.263 731 Y CB 0.584 39.099 38.460 0.092 0.000 1.230 731 Y HN 0.210 nan 8.280 nan 0.000 0.528 732 L N 0.843 122.231 121.223 0.275 0.000 2.439 732 L HA 0.319 4.659 4.340 -0.001 0.000 0.261 732 L C 0.444 177.389 176.870 0.125 0.000 1.153 732 L CA -0.397 54.614 54.840 0.286 0.000 0.808 732 L CB 0.915 43.297 42.059 0.538 0.000 1.126 732 L HN 0.081 nan 8.230 nan 0.000 0.460 733 T N -0.027 114.594 114.554 0.112 0.000 2.829 733 T HA 0.553 4.903 4.350 -0.001 0.000 0.280 733 T C -0.513 174.070 174.700 -0.196 0.000 0.999 733 T CA -0.899 61.182 62.100 -0.032 0.000 0.983 733 T CB 2.210 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 2.074 122.376 120.500 -0.330 0.000 2.854 734 R HA 0.510 4.850 4.340 -0.001 0.000 0.271 734 R C -0.884 175.370 176.300 -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 31.073 30.300 -1.042 0.000 1.194 734 R HN 0.761 nan 8.270 nan 0.000 0.476 735 N N 1.035 119.727 118.700 -0.013 0.000 2.463 735 N HA 0.284 5.023 4.740 -0.001 0.000 0.270 735 N C -0.136 175.438 175.510 0.107 0.000 1.205 735 N CA -0.392 52.698 53.050 0.066 0.000 0.974 735 N CB 0.575 39.090 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