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_M 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 -0.997 176.607 177.584 0.032 0.000 1.102 218 A CA -0.576 51.485 52.037 0.040 0.000 0.737 218 A CB 1.690 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 0.603 121.026 120.400 0.038 0.000 2.808 219 D HA 0.703 5.343 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 1.417 42.236 40.800 0.032 0.000 1.295 219 D HN 0.670 nan 8.370 nan 0.000 0.631 220 G N -0.747 108.069 108.800 0.027 0.000 2.642 220 G HA2 0.433 4.392 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 0.883 175.797 174.900 0.024 0.000 1.345 220 G CA -0.298 44.816 45.100 0.023 0.000 1.043 220 G HN 0.205 nan 8.290 nan 0.000 0.528 221 V N 0.550 120.475 119.914 0.018 0.000 2.255 221 V HA 0.033 4.153 4.120 -0.001 0.000 0.243 221 V C 2.527 178.629 176.094 0.014 0.000 1.038 221 V CA 2.120 64.428 62.300 0.015 0.000 1.008 221 V CB -0.651 31.177 31.823 0.009 0.000 0.645 221 V HN 0.760 nan 8.190 nan 0.000 0.449 222 G N 0.750 109.557 108.800 0.011 0.000 3.530 222 G HA2 0.148 4.107 3.960 -0.001 0.000 0.269 222 G HA3 0.148 4.107 3.960 -0.001 0.000 0.269 222 G C -0.030 174.879 174.900 0.014 0.000 1.314 222 G CA 0.021 45.127 45.100 0.010 0.000 1.441 222 G HN 0.472 nan 8.290 nan 0.000 0.595 223 N N -0.016 118.696 118.700 0.020 0.000 2.519 223 N HA 0.266 5.005 4.740 -0.001 0.000 0.291 223 N C -0.058 175.475 175.510 0.038 0.000 1.107 223 N CA -0.524 52.541 53.050 0.025 0.000 0.904 223 N CB 1.404 39.904 38.487 0.022 0.000 1.500 223 N HN 0.036 nan 8.380 nan 0.000 0.510 224 S N 1.541 117.267 115.700 0.043 0.000 2.549 224 S HA 0.085 4.555 4.470 -0.001 0.000 0.286 224 S C 0.834 175.479 174.600 0.075 0.000 1.314 224 S CA -0.224 58.017 58.200 0.070 0.000 1.062 224 S CB 0.666 63.911 63.200 0.075 0.000 0.865 224 S HN 0.611 nan 8.310 nan 0.000 0.498 225 S N 1.109 116.881 115.700 0.120 0.000 2.618 225 S HA 0.581 5.051 4.470 -0.001 0.000 0.242 225 S C 0.654 175.299 174.600 0.075 0.000 0.972 225 S CA -0.254 58.014 58.200 0.113 0.000 1.004 225 S CB -0.694 62.599 63.200 0.155 0.000 0.778 225 S HN 1.543 nan 8.310 nan 0.000 0.459 226 G N 0.362 109.170 108.800 0.014 0.000 2.328 226 G HA2 0.325 4.284 3.960 -0.001 0.000 0.299 226 G HA3 0.325 4.284 3.960 -0.001 0.000 0.299 226 G C -1.901 172.900 174.900 -0.166 0.000 1.435 226 G CA -1.072 43.852 45.100 -0.293 0.000 0.865 226 G HN 0.281 nan 8.290 nan 0.000 0.601 227 N N -1.030 117.483 118.700 -0.311 0.000 2.545 227 N HA 0.466 5.205 4.740 -0.001 0.000 0.289 227 N C -1.011 174.405 175.510 -0.157 0.000 1.279 227 N CA -0.849 52.094 53.050 -0.178 0.000 0.824 227 N CB 2.209 40.519 38.487 -0.294 0.000 1.395 227 N HN 0.532 nan 8.380 nan 0.000 0.526 228 W N 2.576 123.724 121.300 -0.253 0.000 2.367 228 W HA 0.190 4.849 4.660 -0.001 0.000 0.329 228 W C -1.055 175.294 176.519 -0.284 0.000 1.066 228 W CA 0.025 57.295 57.345 -0.126 0.000 1.435 228 W CB -0.088 29.343 29.460 -0.049 0.000 1.296 228 W HN 0.479 nan 8.180 nan 0.000 0.401 229 H N 5.317 124.292 119.070 -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 -0.215 55.763 56.048 -0.117 0.000 1.254 229 H CB 0.969 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 4.106 123.407 119.300 0.001 0.000 2.437 230 C HA 0.386 4.846 4.460 -0.001 0.000 0.307 230 C C -0.543 174.501 174.990 0.090 0.000 1.093 230 C CA -0.277 58.746 59.018 0.009 0.000 1.463 230 C CB -0.708 27.093 27.740 0.102 0.000 1.926 230 C HN 0.873 nan 8.230 nan 0.000 0.420 231 D N 1.920 122.347 120.400 0.046 0.000 2.665 231 D HA 0.712 5.352 4.640 -0.001 0.000 0.287 231 D C -1.289 175.012 176.300 0.002 0.000 1.266 231 D CA 0.179 54.208 54.000 0.048 0.000 0.830 231 D CB 2.295 43.135 40.800 0.066 0.000 1.356 231 D HN 0.595 nan 8.370 nan 0.000 0.437 232 S N 0.507 116.209 115.700 0.005 0.000 2.562 232 S HA 0.704 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 -0.810 57.348 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 1.421 121.160 119.800 -0.101 0.000 2.416 233 Q HA 0.746 5.086 4.340 -0.001 0.000 0.281 233 Q C -1.866 174.085 176.000 -0.083 0.000 1.067 233 Q CA -0.502 55.317 55.803 0.027 0.000 0.809 233 Q CB 0.486 29.268 28.738 0.073 0.000 1.418 233 Q HN 0.743 nan 8.270 nan 0.000 0.411 234 W N 1.416 122.735 121.300 0.031 0.000 2.512 234 W HA 0.578 5.238 4.660 -0.001 0.000 0.335 234 W C -0.063 176.473 176.519 0.028 0.000 1.088 234 W CA -0.777 56.590 57.345 0.035 0.000 1.236 234 W CB 1.013 30.488 29.460 0.025 0.000 1.307 234 W HN 0.486 nan 8.180 nan 0.000 0.567 235 L N 3.301 124.665 121.223 0.235 0.000 3.122 235 L HA 0.244 4.584 4.340 -0.001 0.000 0.274 235 L C 1.623 178.577 176.870 0.139 0.000 1.222 235 L CA 0.717 55.644 54.840 0.145 0.000 1.028 235 L CB -0.671 41.440 42.059 0.086 0.000 1.386 235 L HN 0.999 nan 8.230 nan 0.000 0.578 236 G N 1.049 109.964 108.800 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 1.110 46.287 45.100 0.129 0.000 0.633 236 G HN 0.396 nan 8.290 nan 0.000 0.537 237 D N 0.024 120.495 120.400 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 0.937 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 1.045 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 1.666 121.603 119.914 0.037 0.000 2.760 239 V HA 0.594 4.714 4.120 -0.001 0.000 0.309 239 V C -1.601 174.443 176.094 -0.085 0.000 1.077 239 V CA -0.868 61.301 62.300 -0.219 0.000 0.910 239 V CB 1.938 33.318 31.823 -0.739 0.000 1.008 239 V HN 0.678 nan 8.190 nan 0.000 0.424 240 I N 5.717 126.189 120.570 -0.164 0.000 2.362 240 I HA 0.539 4.708 4.170 -0.001 0.000 0.289 240 I C 0.406 176.441 176.117 -0.137 0.000 0.994 240 I CA 0.018 61.267 61.300 -0.085 0.000 1.158 240 I CB 2.057 40.008 38.000 -0.082 0.000 1.315 240 I HN 0.792 nan 8.210 nan 0.000 0.451 241 T N 1.447 115.958 114.554 -0.071 0.000 2.771 241 T HA 0.724 5.073 4.350 -0.001 0.000 0.281 241 T C -0.126 174.552 174.700 -0.037 0.000 0.982 241 T CA -0.634 61.397 62.100 -0.115 0.000 0.978 241 T CB 1.024 69.762 68.868 -0.217 0.000 0.930 241 T HN 0.474 nan 8.240 nan 0.000 0.447 242 T N 2.440 116.967 114.554 -0.045 0.000 2.829 242 T HA 0.675 5.025 4.350 -0.001 0.000 0.280 242 T C -0.535 174.138 174.700 -0.045 0.000 0.999 242 T CA -0.807 61.269 62.100 -0.040 0.000 0.983 242 T CB 1.640 70.481 68.868 -0.045 0.000 0.968 242 T HN 0.701 nan 8.240 nan 0.000 0.446 243 S N 1.609 117.266 115.700 -0.071 0.000 2.619 243 S HA 0.661 5.131 4.470 -0.001 0.000 0.280 243 S C -0.903 173.564 174.600 -0.221 0.000 1.150 243 S CA -0.555 57.574 58.200 -0.119 0.000 0.978 243 S CB 0.972 64.121 63.200 -0.085 0.000 1.041 243 S HN 0.711 nan 8.310 nan 0.000 0.485 244 T N 5.430 119.735 114.554 -0.415 0.000 2.863 244 T HA 0.708 5.058 4.350 -0.001 0.000 0.285 244 T C -0.804 173.534 174.700 -0.602 0.000 1.009 244 T CA -0.946 60.745 62.100 -0.681 0.000 0.989 244 T CB 1.139 69.183 68.868 -1.373 0.000 1.004 244 T HN 0.486 nan 8.240 nan 0.000 0.455 245 R N 1.014 121.372 120.500 -0.236 0.000 2.774 245 R HA 0.603 4.943 4.340 -0.001 0.000 0.272 245 R C -0.920 175.567 176.300 0.311 0.000 1.000 245 R CA -0.811 55.398 56.100 0.182 0.000 0.906 245 R CB 1.650 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 2.712 117.495 114.554 0.382 0.000 2.837 246 T HA 0.543 4.893 4.350 -0.001 0.000 0.285 246 T C -0.294 174.474 174.700 0.113 0.000 0.984 246 T CA -0.560 61.636 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 0.572 121.801 121.300 -0.119 0.000 2.864 247 W HA 0.820 5.480 4.660 -0.001 0.000 0.343 247 W C -1.441 174.903 176.519 -0.293 0.000 1.109 247 W CA -1.690 55.350 57.345 -0.507 0.000 1.192 247 W CB 1.351 30.499 29.460 -0.519 0.000 1.426 247 W HN 0.736 nan 8.180 nan 0.000 0.529 248 A N 2.949 125.767 122.820 -0.003 0.000 2.386 248 A HA 0.789 5.109 4.320 -0.001 0.000 0.311 248 A C -2.155 175.549 177.584 0.199 0.000 1.068 248 A CA -0.790 51.303 52.037 0.093 0.000 0.743 248 A CB 2.003 21.010 19.000 0.011 0.000 1.258 248 A HN 0.693 nan 8.150 nan 0.000 0.429 249 L N 3.675 125.067 121.223 0.282 0.000 2.404 249 L HA 0.673 5.012 4.340 -0.001 0.000 0.272 249 L C -2.647 174.276 176.870 0.088 0.000 0.980 249 L CA -1.555 53.386 54.840 0.169 0.000 0.836 249 L CB 2.129 44.314 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 -1.035 176.102 177.300 -0.271 0.000 1.308 250 P CA -0.385 62.576 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 0.130 114.494 114.554 -0.318 0.000 2.929 251 T HA 0.356 4.706 4.350 -0.001 0.000 0.331 251 T C -0.493 173.989 174.700 -0.363 0.000 1.120 251 T CA -0.041 61.864 62.100 -0.326 0.000 0.973 251 T CB -0.988 67.645 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 0.125 4.675 4.550 -0.001 0.000 0.335 252 Y C 1.721 177.538 175.900 -0.139 0.000 1.213 252 Y CA 0.037 58.065 58.100 -0.120 0.000 1.391 252 Y CB 0.307 38.727 38.460 -0.068 0.000 1.293 252 Y HN 0.694 nan 8.280 nan 0.000 0.557 253 N N 1.731 120.488 118.700 0.096 0.000 2.690 253 N HA -0.411 4.328 4.740 -0.001 0.000 0.249 253 N C -0.193 175.308 175.510 -0.014 0.000 1.125 253 N CA 0.806 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 0.784 nan 8.380 nan 0.000 0.571 254 N N -0.062 118.568 118.700 -0.117 0.000 2.735 254 N HA -0.203 4.537 4.740 -0.001 0.000 0.248 254 N C -0.575 174.847 175.510 -0.146 0.000 1.083 254 N CA 2.029 54.975 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 -0.181 175.147 175.328 0.001 0.000 1.198 255 H CA 1.124 57.093 56.048 -0.133 0.000 1.140 255 H CB -1.206 28.340 29.762 -0.361 0.000 1.317 255 H HN 0.301 nan 8.280 nan 0.000 0.375 256 L N 0.403 121.697 121.223 0.117 0.000 2.362 256 L HA 0.445 4.784 4.340 -0.001 0.000 0.271 256 L C -0.156 176.807 176.870 0.156 0.000 1.002 256 L CA -1.009 53.947 54.840 0.194 0.000 0.818 256 L CB 1.217 43.384 42.059 0.181 0.000 1.298 256 L HN 0.029 nan 8.230 nan 0.000 0.420 257 Y N 2.243 122.687 120.300 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 -0.214 58.059 58.100 0.289 0.000 1.201 257 Y CB 0.842 39.539 38.460 0.395 0.000 1.151 257 Y HN 0.297 nan 8.280 nan 0.000 0.517 258 K N 3.002 123.582 120.400 0.300 0.000 2.292 258 K HA 0.244 4.564 4.320 -0.001 0.000 0.257 258 K C -0.686 175.999 176.600 0.142 0.000 0.940 258 K CA -1.025 55.372 56.287 0.184 0.000 0.811 258 K CB 1.877 34.430 32.500 0.089 0.000 1.120 258 K HN 0.591 nan 8.250 nan 0.000 0.428 259 Q N 4.760 124.585 119.800 0.041 0.000 2.296 259 Q HA 0.248 4.587 4.340 -0.001 0.000 0.262 259 Q C -0.647 175.117 176.000 -0.395 0.000 0.981 259 Q CA -0.308 55.291 55.803 -0.341 0.000 0.905 259 Q CB 0.421 28.983 28.738 -0.294 0.000 1.186 259 Q HN 0.631 nan 8.270 nan 0.000 0.399 260 I N 0.721 120.922 120.570 -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 2.162 117.535 115.700 -0.545 0.000 2.724 261 S HA 0.530 4.999 4.470 -0.001 0.000 0.278 261 S C -0.567 173.640 174.600 -0.654 0.000 1.190 261 S CA -0.333 57.438 58.200 -0.714 0.000 0.860 261 S CB 0.806 63.893 63.200 -0.189 0.000 1.206 261 S HN 1.051 nan 8.310 nan 0.000 0.507 262 S N 0.961 116.408 115.700 -0.423 0.000 2.601 262 S HA 0.473 4.942 4.470 -0.001 0.000 0.271 262 S C -0.084 174.551 174.600 0.059 0.000 1.305 262 S CA -0.580 57.623 58.200 0.006 0.000 1.022 262 S CB 0.554 63.904 63.200 0.250 0.000 0.940 262 S HN 0.751 nan 8.310 nan 0.000 0.525 263 Q N 1.585 121.432 119.800 0.078 0.000 2.286 263 Q HA 0.069 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 0.451 29.206 28.738 0.028 0.000 1.183 263 Q HN 0.818 nan 8.270 nan 0.000 0.383 264 S N 3.096 118.826 115.700 0.050 0.000 2.945 264 S HA 0.128 4.598 4.470 -0.001 0.000 0.344 264 S C 0.835 175.471 174.600 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 62.285 63.200 0.029 0.000 1.330 264 S HN 0.820 nan 8.310 nan 0.000 0.623 265 G N 1.859 110.722 108.800 0.106 0.000 2.248 265 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.263 265 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.263 265 G C 0.590 175.500 174.900 0.017 0.000 1.082 265 G CA 0.085 45.232 45.100 0.079 0.000 0.863 265 G HN 0.897 nan 8.290 nan 0.000 0.495 266 A N -1.206 121.602 122.820 -0.019 0.000 1.924 266 A HA 0.766 5.086 4.320 -0.001 0.000 0.211 266 A C 1.313 178.829 177.584 -0.113 0.000 1.198 266 A CA 1.879 53.882 52.037 -0.055 0.000 0.657 266 A CB 0.492 19.467 19.000 -0.043 0.000 0.852 266 A HN 1.503 nan 8.150 nan 0.000 0.454 267 S N -2.508 113.063 115.700 -0.215 0.000 2.547 267 S HA 0.346 4.815 4.470 -0.001 0.000 0.270 267 S C 0.196 174.510 174.600 -0.477 0.000 1.150 267 S CA -0.314 57.728 58.200 -0.263 0.000 0.850 267 S CB 1.303 64.366 63.200 -0.229 0.000 1.118 267 S HN 0.464 nan 8.310 nan 0.000 0.461 268 N N 0.817 119.371 118.700 -0.244 0.000 2.508 268 N HA 0.008 4.748 4.740 -0.001 0.000 0.186 268 N C -0.019 175.516 175.510 0.040 0.000 1.034 268 N CA 0.298 53.316 53.050 -0.052 0.000 0.885 268 N CB 0.062 38.605 38.487 0.092 0.000 1.135 268 N HN 0.525 nan 8.380 nan 0.000 0.435 269 D N 0.643 121.038 120.400 -0.008 0.000 2.363 269 D HA 0.012 4.652 4.640 -0.001 0.000 0.226 269 D C 0.007 176.309 176.300 0.003 0.000 1.020 269 D CA 0.621 54.647 54.000 0.045 0.000 0.892 269 D CB -0.251 40.592 40.800 0.071 0.000 0.900 269 D HN 0.463 nan 8.370 nan 0.000 0.531 270 N N -0.586 118.075 118.700 -0.066 0.000 2.200 270 N HA -0.003 4.736 4.740 -0.001 0.000 0.224 270 N C -0.022 175.524 175.510 0.060 0.000 1.179 270 N CA -0.373 52.641 53.050 -0.060 0.000 0.877 270 N CB 0.709 39.109 38.487 -0.145 0.000 1.072 270 N HN 0.059 nan 8.380 nan 0.000 0.519 271 H N 1.312 120.467 119.070 0.141 0.000 2.928 271 H HA 0.027 4.582 4.556 -0.001 0.000 0.338 271 H C -0.469 175.043 175.328 0.306 0.000 1.047 271 H CA 0.651 56.820 56.048 0.201 0.000 1.435 271 H CB 0.175 30.002 29.762 0.108 0.000 1.428 271 H HN 0.291 nan 8.280 nan 0.000 0.590 272 Y N 1.387 121.810 120.300 0.206 0.000 2.656 272 Y HA 0.513 5.062 4.550 -0.001 0.000 0.334 272 Y C -2.158 173.860 175.900 0.198 0.000 1.179 272 Y CA -1.377 56.816 58.100 0.156 0.000 1.050 272 Y CB 1.516 40.024 38.460 0.080 0.000 1.308 272 Y HN 0.383 nan 8.280 nan 0.000 0.456 273 F N 1.146 121.027 119.950 -0.116 0.000 2.596 273 F HA 0.842 5.369 4.527 -0.001 0.000 0.311 273 F C -0.352 175.357 175.800 -0.150 0.000 1.116 273 F CA 0.002 57.845 58.000 -0.261 0.000 0.957 273 F CB 2.086 40.983 39.000 -0.172 0.000 1.250 273 F HN 1.076 nan 8.300 nan 0.000 0.444 274 G N 2.811 111.043 108.800 -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 -1.099 0.000 1.242 274 G CA -0.599 44.083 45.100 -0.698 0.000 0.859 274 G HN 0.552 nan 8.290 nan 0.000 0.481 275 Y N -0.893 119.019 120.300 -0.647 0.000 2.581 275 Y HA 0.755 5.305 4.550 -0.001 0.000 0.345 275 Y C 0.142 175.830 175.900 -0.354 0.000 1.036 275 Y CA -0.768 57.073 58.100 -0.431 0.000 1.042 275 Y CB 2.656 41.008 38.460 -0.181 0.000 1.289 275 Y HN 0.557 nan 8.280 nan 0.000 0.471 276 S N 1.096 116.828 115.700 0.052 0.000 2.552 276 S HA 0.596 5.065 4.470 -0.001 0.000 0.314 276 S C -0.714 173.932 174.600 0.077 0.000 1.099 276 S CA -0.571 57.638 58.200 0.015 0.000 1.070 276 S CB 0.323 63.517 63.200 -0.010 0.000 0.998 276 S HN 0.701 nan 8.310 nan 0.000 0.474 277 T N 2.340 116.928 114.554 0.057 0.000 2.945 277 T HA 0.601 4.951 4.350 -0.001 0.000 0.286 277 T C -2.536 172.142 174.700 -0.037 0.000 1.025 277 T CA -2.097 59.954 62.100 -0.081 0.000 1.039 277 T CB 1.402 70.422 68.868 0.252 0.000 1.068 277 T HN 0.296 nan 8.240 nan 0.000 0.497 278 P HA 0.195 nan 4.420 nan 0.000 0.249 278 P C -0.862 176.430 177.300 -0.013 0.000 1.241 278 P CA -0.121 62.950 63.100 -0.049 0.000 0.781 278 P CB -0.178 31.447 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 1.042 177.580 176.519 0.032 0.000 1.119 279 W CA -0.080 57.293 57.345 0.046 0.000 1.221 279 W CB 0.984 30.467 29.460 0.038 0.000 1.253 279 W HN -0.157 nan 8.180 nan 0.000 0.555 280 G N 1.128 110.056 108.800 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 -3.094 117.071 120.300 -0.224 0.000 2.641 281 Y HA 0.683 5.233 4.550 -0.001 0.000 0.333 281 Y C -1.830 173.890 175.900 -0.299 0.000 1.174 281 Y CA -2.086 55.865 58.100 -0.248 0.000 1.057 281 Y CB 0.949 39.280 38.460 -0.215 0.000 1.322 281 Y HN 0.389 nan 8.280 nan 0.000 0.457 282 F N 1.955 121.896 119.950 -0.014 0.000 2.404 282 F HA 0.502 5.028 4.527 -0.001 0.000 0.339 282 F C -0.167 175.674 175.800 0.068 0.000 1.105 282 F CA 0.002 58.030 58.000 0.047 0.000 1.087 282 F CB 1.438 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 2.689 123.218 120.400 0.215 0.000 2.780 283 D HA 0.429 5.069 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 -0.501 53.516 54.000 0.029 0.000 0.859 283 D CB 1.154 41.977 40.800 0.038 0.000 1.530 283 D HN 0.293 nan 8.370 nan 0.000 0.493 284 F N 1.058 121.103 119.950 0.158 0.000 2.608 284 F HA 0.390 4.917 4.527 -0.001 0.000 0.383 284 F C 0.247 176.126 175.800 0.132 0.000 1.371 284 F CA -0.825 57.254 58.000 0.132 0.000 1.123 284 F CB -0.920 38.234 39.000 0.258 0.000 1.207 284 F HN 0.274 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 0.180 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 -0.095 52.563 53.050 -0.654 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 0.222 4.562 4.340 -0.001 0.000 0.291 286 R C 0.075 176.305 176.300 -0.117 0.000 0.963 286 R CA -0.643 55.319 56.100 -0.230 0.000 0.901 286 R CB 0.958 30.973 30.300 -0.476 0.000 1.160 286 R HN 0.121 nan 8.270 nan 0.000 0.457 287 F N 0.906 120.873 119.950 0.028 0.000 2.171 287 F HA -0.168 4.358 4.527 -0.001 0.000 0.300 287 F C 2.252 178.153 175.800 0.169 0.000 1.090 287 F CA 1.619 59.750 58.000 0.218 0.000 1.293 287 F CB -0.065 38.913 39.000 -0.037 0.000 1.013 287 F HN 0.714 nan 8.300 nan 0.000 0.486 288 H N -2.951 116.240 119.070 0.201 0.000 2.563 288 H HA -0.011 4.545 4.556 -0.001 0.000 0.272 288 H C 1.680 177.051 175.328 0.071 0.000 1.005 288 H CA 0.405 56.518 56.048 0.108 0.000 1.171 288 H CB -1.451 28.336 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 -0.002 4.457 4.460 -0.001 0.000 0.280 289 C C 1.733 176.481 174.990 -0.404 0.000 1.398 289 C CA 0.848 59.703 59.018 -0.272 0.000 1.774 289 C CB -0.633 26.804 27.740 -0.506 0.000 1.888 289 C HN 0.800 nan 8.230 nan 0.000 0.519 290 H N -2.922 116.246 119.070 0.164 0.000 2.545 290 H HA 0.225 4.780 4.556 -0.001 0.000 0.251 290 H C -0.040 175.214 175.328 -0.124 0.000 0.934 290 H CA 0.154 56.212 56.048 0.017 0.000 1.116 290 H CB -0.110 29.682 29.762 0.051 0.000 1.439 290 H HN 0.312 nan 8.280 nan 0.000 0.445 291 F N 3.491 123.595 119.950 0.257 0.000 2.411 291 F HA 0.210 4.736 4.527 -0.001 0.000 0.355 291 F C 1.105 176.992 175.800 0.144 0.000 1.117 291 F CA -0.806 57.308 58.000 0.190 0.000 1.139 291 F CB 1.084 40.264 39.000 0.300 0.000 1.120 291 F HN -0.019 nan 8.300 nan 0.000 0.493 292 S N 3.938 119.793 115.700 0.258 0.000 2.584 292 S HA 0.219 4.689 4.470 -0.001 0.000 0.270 292 S C -1.861 172.844 174.600 0.175 0.000 1.346 292 S CA -1.013 57.298 58.200 0.184 0.000 1.018 292 S CB 1.218 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 -0.142 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 1.214 64.216 63.100 -0.165 0.000 0.874 293 P CB -0.058 31.406 31.700 -0.395 0.000 0.790 294 R N 0.400 120.931 120.500 0.051 0.000 2.103 294 R HA -0.164 4.176 4.340 -0.001 0.000 0.242 294 R C 1.774 178.150 176.300 0.127 0.000 1.142 294 R CA 2.000 58.148 56.100 0.080 0.000 0.960 294 R CB -1.657 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 -0.615 119.934 120.400 0.248 0.000 2.097 295 D HA -0.220 4.419 4.640 -0.001 0.000 0.195 295 D C 1.653 178.178 176.300 0.375 0.000 0.989 295 D CA 1.203 55.471 54.000 0.447 0.000 0.827 295 D CB -0.613 40.516 40.800 0.547 0.000 0.966 295 D HN 0.374 nan 8.370 nan 0.000 0.456 296 W N 2.044 123.374 121.300 0.051 0.000 2.325 296 W HA -0.241 4.419 4.660 -0.001 0.000 0.299 296 W C 2.154 178.520 176.519 -0.254 0.000 1.215 296 W CA 1.447 58.662 57.345 -0.217 0.000 1.244 296 W CB -0.095 29.193 29.460 -0.287 0.000 1.140 296 W HN 0.114 nan 8.180 nan 0.000 0.523 297 Q N 0.321 120.071 119.800 -0.083 0.000 2.084 297 Q HA -0.217 4.123 4.340 -0.001 0.000 0.202 297 Q C 2.388 178.256 176.000 -0.221 0.000 0.978 297 Q CA 1.831 57.521 55.803 -0.189 0.000 0.844 297 Q CB -0.198 28.497 28.738 -0.070 0.000 0.898 297 Q HN 0.266 nan 8.270 nan 0.000 0.426 298 R N 0.161 120.544 120.500 -0.194 0.000 2.081 298 R HA -0.125 4.214 4.340 -0.001 0.000 0.235 298 R C 2.479 178.562 176.300 -0.362 0.000 1.131 298 R CA 1.346 57.226 56.100 -0.367 0.000 0.960 298 R CB -0.483 29.413 30.300 -0.674 0.000 0.856 298 R HN 0.330 nan 8.270 nan 0.000 0.436 299 L N 0.786 121.884 121.223 -0.208 0.000 1.976 299 L HA -0.190 4.150 4.340 -0.001 0.000 0.209 299 L C 2.147 178.801 176.870 -0.361 0.000 1.071 299 L CA 1.277 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 0.629 120.866 120.570 -0.554 0.000 2.208 300 I HA -0.300 3.869 4.170 -0.001 0.000 0.245 300 I C 1.795 177.779 176.117 -0.220 0.000 1.097 300 I CA 1.462 62.481 61.300 -0.469 0.000 1.363 300 I CB -1.563 36.058 38.000 -0.631 0.000 1.051 300 I HN 0.434 nan 8.210 nan 0.000 0.413 301 N N 0.934 119.504 118.700 -0.216 0.000 2.398 301 N HA -0.025 4.715 4.740 -0.001 0.000 0.188 301 N C 0.871 176.347 175.510 -0.057 0.000 1.122 301 N CA 0.351 53.338 53.050 -0.104 0.000 0.866 301 N CB -0.025 38.393 38.487 -0.115 0.000 0.970 301 N HN 0.452 nan 8.380 nan 0.000 0.462 302 N N -0.233 118.422 118.700 -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 -0.218 118.514 118.700 0.053 0.000 2.346 303 N HA 0.146 4.886 4.740 -0.001 0.000 0.289 303 N C 0.279 176.000 175.510 0.352 0.000 1.027 303 N CA -0.435 52.692 53.050 0.128 0.000 0.864 303 N CB 1.680 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 1.998 123.286 121.300 -0.021 0.000 2.341 304 W HA -0.131 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 0.232 57.551 57.345 -0.044 0.000 1.211 304 W CB 0.395 29.741 29.460 -0.190 0.000 1.131 304 W HN 0.616 nan 8.180 nan 0.000 0.552 305 G N -1.614 107.376 108.800 0.317 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 -1.780 173.473 174.900 0.589 0.000 1.330 305 G CA -0.571 44.744 45.100 0.359 0.000 0.813 305 G HN 0.129 nan 8.290 nan 0.000 0.487 306 F N -1.410 118.961 119.950 0.701 0.000 2.858 306 F HA 0.931 5.457 4.527 -0.001 0.000 0.319 306 F C -0.887 175.313 175.800 0.667 0.000 1.166 306 F CA -1.136 57.312 58.000 0.747 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 -0.039 120.786 120.500 0.541 0.000 2.728 307 R HA 0.725 5.065 4.340 -0.001 0.000 0.274 307 R C -3.641 172.628 176.300 -0.051 0.000 1.032 307 R CA -1.854 54.207 56.100 -0.066 0.000 0.866 307 R CB 1.743 31.721 30.300 -0.538 0.000 1.263 307 R HN 0.396 nan 8.270 nan 0.000 0.475 308 P HA 0.356 nan 4.420 nan 0.000 0.279 308 P C -0.767 176.025 177.300 -0.847 0.000 1.252 308 P CA -0.596 61.769 63.100 -1.225 0.000 0.811 308 P CB 1.221 31.592 31.700 -2.215 0.000 1.035 309 K N 0.532 120.532 120.400 -0.667 0.000 2.524 309 K HA 0.289 4.608 4.320 -0.001 0.000 0.210 309 K C 0.379 176.966 176.600 -0.022 0.000 1.340 309 K CA 0.806 56.938 56.287 -0.257 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 0.219 120.579 120.400 -0.067 0.000 2.378 310 K HA 0.566 4.886 4.320 -0.001 0.000 0.244 310 K C -1.343 175.288 176.600 0.053 0.000 1.039 310 K CA -0.954 55.323 56.287 -0.017 0.000 0.863 310 K CB 1.985 34.419 32.500 -0.110 0.000 1.326 310 K HN -0.071 nan 8.250 nan 0.000 0.460 311 L N -0.287 120.939 121.223 0.005 0.000 2.565 311 L HA 0.395 4.734 4.340 -0.001 0.000 0.261 311 L C -1.851 174.985 176.870 -0.056 0.000 0.932 311 L CA 0.028 54.883 54.840 0.025 0.000 0.878 311 L CB 2.421 44.563 42.059 0.139 0.000 1.333 311 L HN 0.513 nan 8.230 nan 0.000 0.409 312 S N 4.501 120.177 115.700 -0.041 0.000 2.605 312 S HA 0.654 5.123 4.470 -0.001 0.000 0.308 312 S C -1.245 173.394 174.600 0.064 0.000 1.113 312 S CA -0.287 57.889 58.200 -0.040 0.000 1.049 312 S CB 1.011 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 3.411 123.369 119.950 0.014 0.000 2.469 313 F HA 0.687 5.213 4.527 -0.001 0.000 0.332 313 F C -0.279 175.591 175.800 0.117 0.000 1.103 313 F CA -0.488 57.571 58.000 0.098 0.000 0.979 313 F CB 0.985 40.173 39.000 0.313 0.000 1.137 313 F HN 0.416 nan 8.300 nan 0.000 0.463 314 K N 7.284 127.310 120.400 -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 -0.607 55.546 56.287 -0.223 0.000 0.798 314 K CB 1.577 34.043 32.500 -0.057 0.000 1.267 314 K HN 0.773 nan 8.250 nan 0.000 0.434 315 L N 5.874 127.165 121.223 0.113 0.000 2.346 315 L HA 0.698 5.038 4.340 -0.001 0.000 0.276 315 L C -0.742 176.384 176.870 0.426 0.000 1.006 315 L CA -0.874 54.054 54.840 0.145 0.000 0.817 315 L CB 0.987 43.119 42.059 0.122 0.000 1.272 315 L HN 0.704 nan 8.230 nan 0.000 0.421 316 F N -0.635 119.418 119.950 0.172 0.000 2.877 316 F HA 0.367 4.893 4.527 -0.001 0.000 0.319 316 F C -0.164 175.706 175.800 0.116 0.000 1.174 316 F CA -1.470 56.608 58.000 0.129 0.000 0.903 316 F CB 1.076 40.118 39.000 0.070 0.000 1.357 316 F HN 0.483 nan 8.300 nan 0.000 0.472 317 N N 0.580 119.435 118.700 0.258 0.000 2.705 317 N HA -0.200 4.539 4.740 -0.001 0.000 0.255 317 N C -1.105 174.388 175.510 -0.027 0.000 1.008 317 N CA 0.519 53.631 53.050 0.104 0.000 0.742 317 N CB -1.069 37.483 38.487 0.109 0.000 0.906 317 N HN 0.487 nan 8.380 nan 0.000 0.541 318 I N 0.902 121.489 120.570 0.029 0.000 2.474 318 I HA 0.095 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 0.115 61.412 61.300 -0.004 0.000 1.383 318 I CB 0.898 38.974 38.000 0.126 0.000 1.412 318 I HN 0.137 nan 8.210 nan 0.000 0.531 319 Q N 5.431 125.147 119.800 -0.139 0.000 2.285 319 Q HA 0.510 4.850 4.340 -0.001 0.000 0.269 319 Q C -1.401 174.485 176.000 -0.191 0.000 1.030 319 Q CA -0.759 54.955 55.803 -0.148 0.000 0.788 319 Q CB 3.138 31.770 28.738 -0.176 0.000 1.266 319 Q HN 0.391 nan 8.270 nan 0.000 0.438 320 V N 3.335 123.157 119.914 -0.155 0.000 2.347 320 V HA 0.355 4.474 4.120 -0.001 0.000 0.280 320 V C -0.324 175.623 176.094 -0.246 0.000 1.021 320 V CA -0.633 61.553 62.300 -0.191 0.000 0.847 320 V CB 1.162 32.928 31.823 -0.095 0.000 0.990 320 V HN 0.546 nan 8.190 nan 0.000 0.444 321 K N 4.197 124.331 120.400 -0.445 0.000 2.244 321 K HA 0.563 4.883 4.320 -0.001 0.000 0.260 321 K C -0.352 176.113 176.600 -0.225 0.000 0.951 321 K CA -0.606 55.444 56.287 -0.396 0.000 0.826 321 K CB 2.527 34.643 32.500 -0.640 0.000 1.108 321 K HN 0.892 nan 8.250 nan 0.000 0.433 322 E N 0.281 120.447 120.200 -0.055 0.000 2.183 322 E HA 0.495 4.845 4.350 -0.001 0.000 0.271 322 E C -0.861 175.787 176.600 0.079 0.000 0.919 322 E CA -1.010 55.411 56.400 0.036 0.000 0.781 322 E CB 1.980 31.698 29.700 0.029 0.000 1.140 322 E HN 0.135 nan 8.360 nan 0.000 0.402 323 V N 2.328 122.309 119.914 0.111 0.000 2.815 323 V HA 0.803 4.923 4.120 -0.001 0.000 0.314 323 V C -1.041 175.089 176.094 0.060 0.000 1.064 323 V CA 0.004 62.359 62.300 0.092 0.000 0.952 323 V CB 2.113 33.996 31.823 0.101 0.000 1.020 323 V HN 1.022 nan 8.190 nan 0.000 0.439 324 T N 2.808 117.388 114.554 0.043 0.000 2.928 324 T HA 0.579 4.928 4.350 -0.001 0.000 0.296 324 T C -0.925 173.788 174.700 0.022 0.000 1.000 324 T CA -0.671 61.449 62.100 0.033 0.000 0.989 324 T CB 1.574 70.461 68.868 0.031 0.000 1.005 324 T HN 0.602 nan 8.240 nan 0.000 0.442 325 Q N 2.952 122.762 119.800 0.017 0.000 2.503 325 Q HA 0.394 4.734 4.340 -0.001 0.000 0.227 325 Q C 0.860 176.866 176.000 0.010 0.000 1.109 325 Q CA -0.484 55.324 55.803 0.010 0.000 0.922 325 Q CB 0.537 29.278 28.738 0.005 0.000 1.249 325 Q HN 0.544 nan 8.270 nan 0.000 0.530 326 N N 1.138 119.844 118.700 0.009 0.000 2.132 326 N HA -0.076 4.663 4.740 -0.001 0.000 0.187 326 N C 0.097 175.610 175.510 0.005 0.000 1.038 326 N CA 1.243 54.299 53.050 0.009 0.000 0.846 326 N CB 0.417 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 -1.629 118.773 120.400 0.004 0.000 3.051 327 D HA 0.227 4.866 4.640 -0.001 0.000 0.216 327 D C 1.040 177.340 176.300 -0.000 0.000 1.454 327 D CA 0.492 54.493 54.000 0.002 0.000 1.400 327 D CB -0.478 40.322 40.800 0.001 0.000 0.975 327 D HN 0.225 nan 8.370 nan 0.000 0.212 328 G N -0.193 108.607 108.800 -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 -0.215 174.682 174.900 -0.004 0.000 1.005 328 G CA 0.110 45.208 45.100 -0.003 0.000 0.824 328 G HN 0.241 nan 8.290 nan 0.000 0.489 329 T N 0.690 115.243 114.554 -0.002 0.000 2.881 329 T HA 0.525 4.875 4.350 -0.001 0.000 0.290 329 T C -0.327 174.373 174.700 0.000 0.000 1.000 329 T CA -0.270 61.829 62.100 -0.002 0.000 0.978 329 T CB 1.360 70.227 68.868 -0.001 0.000 0.997 329 T HN 0.111 nan 8.240 nan 0.000 0.443 330 T N 2.222 116.775 114.554 -0.002 0.000 2.738 330 T HA 0.533 4.883 4.350 -0.001 0.000 0.298 330 T C 0.414 175.119 174.700 0.008 0.000 0.962 330 T CA -0.800 61.301 62.100 0.001 0.000 0.972 330 T CB 0.265 69.129 68.868 -0.007 0.000 0.928 330 T HN 0.714 nan 8.240 nan 0.000 0.474 331 T N 2.000 116.563 114.554 0.015 0.000 2.837 331 T HA 0.663 5.013 4.350 -0.001 0.000 0.285 331 T C 0.003 174.723 174.700 0.034 0.000 0.984 331 T CA -0.941 61.171 62.100 0.020 0.000 1.049 331 T CB 0.499 69.377 68.868 0.016 0.000 0.947 331 T HN 0.645 nan 8.240 nan 0.000 0.472 332 I N 2.168 122.762 120.570 0.041 0.000 2.406 332 I HA 0.670 4.839 4.170 -0.001 0.000 0.290 332 I C 0.160 176.300 176.117 0.039 0.000 0.999 332 I CA -1.039 60.301 61.300 0.066 0.000 1.124 332 I CB 1.553 39.619 38.000 0.109 0.000 1.289 332 I HN 0.914 nan 8.210 nan 0.000 0.441 333 A N 5.326 128.162 122.820 0.026 0.000 2.479 333 A HA 0.626 4.946 4.320 -0.001 0.000 0.296 333 A C -0.894 176.677 177.584 -0.022 0.000 1.121 333 A CA -0.817 51.221 52.037 0.003 0.000 0.743 333 A CB 1.344 20.348 19.000 0.007 0.000 1.323 333 A HN 0.636 nan 8.150 nan 0.000 0.415 334 N N 1.977 120.660 118.700 -0.028 0.000 2.497 334 N HA 0.127 4.867 4.740 -0.001 0.000 0.271 334 N C -0.980 174.509 175.510 -0.034 0.000 1.142 334 N CA 0.173 53.196 53.050 -0.044 0.000 0.965 334 N CB 0.761 39.226 38.487 -0.036 0.000 1.077 334 N HN 0.590 nan 8.380 nan 0.000 0.462 335 N N 3.417 122.089 118.700 -0.046 0.000 2.699 335 N HA 0.204 4.944 4.740 -0.001 0.000 0.232 335 N C 0.900 176.393 175.510 -0.028 0.000 1.027 335 N CA -0.285 52.748 53.050 -0.029 0.000 0.920 335 N CB 0.329 38.801 38.487 -0.025 0.000 1.148 335 N HN 0.453 nan 8.380 nan 0.000 0.509 336 L N 0.984 122.197 121.223 -0.017 0.000 2.156 336 L HA -0.067 4.273 4.340 -0.001 0.000 0.208 336 L C 1.987 178.855 176.870 -0.004 0.000 1.095 336 L CA 1.283 56.116 54.840 -0.012 0.000 0.770 336 L CB -0.457 41.598 42.059 -0.007 0.000 0.914 336 L HN 0.528 nan 8.230 nan 0.000 0.439 337 T N -4.372 110.181 114.554 -0.001 0.000 3.148 337 T HA 0.011 4.360 4.350 -0.001 0.000 0.253 337 T C 0.967 175.669 174.700 0.003 0.000 1.134 337 T CA -0.057 62.045 62.100 0.004 0.000 1.051 337 T CB 0.037 68.908 68.868 0.005 0.000 0.959 337 T HN 0.095 nan 8.240 nan 0.000 0.525 338 S N 1.943 117.641 115.700 -0.003 0.000 2.601 338 S HA 0.522 4.991 4.470 -0.001 0.000 0.271 338 S C 0.415 175.016 174.600 0.001 0.000 1.305 338 S CA -0.419 57.777 58.200 -0.006 0.000 1.022 338 S CB 0.706 63.896 63.200 -0.016 0.000 0.940 338 S HN 0.744 nan 8.310 nan 0.000 0.525 339 T N 0.218 114.772 114.554 0.000 0.000 2.905 339 T HA 0.794 5.144 4.350 -0.001 0.000 0.283 339 T C -0.571 174.136 174.700 0.011 0.000 1.031 339 T CA -0.786 61.323 62.100 0.015 0.000 1.002 339 T CB 1.326 70.205 68.868 0.019 0.000 1.200 339 T HN 0.610 nan 8.240 nan 0.000 0.560 340 V N 0.151 120.085 119.914 0.033 0.000 3.087 340 V HA 0.522 4.642 4.120 -0.001 0.000 0.306 340 V C -1.793 174.324 176.094 0.038 0.000 1.187 340 V CA -0.789 61.526 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 3.488 123.291 119.800 0.005 0.000 2.331 341 Q HA 0.765 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 -0.637 55.234 55.803 0.112 0.000 0.818 341 Q CB 2.562 31.384 28.738 0.140 0.000 1.276 341 Q HN 0.551 nan 8.270 nan 0.000 0.450 342 V N 3.361 123.373 119.914 0.163 0.000 2.823 342 V HA 0.745 4.864 4.120 -0.001 0.000 0.312 342 V C -0.721 175.411 176.094 0.063 0.000 1.072 342 V CA -0.831 61.448 62.300 -0.035 0.000 0.937 342 V CB 1.328 32.819 31.823 -0.554 0.000 1.013 342 V HN 0.790 nan 8.190 nan 0.000 0.430 343 F N 0.319 120.119 119.950 -0.250 0.000 2.817 343 F HA 0.805 5.332 4.527 -0.001 0.000 0.317 343 F C -0.901 174.704 175.800 -0.325 0.000 1.168 343 F CA -0.686 57.189 58.000 -0.209 0.000 0.911 343 F CB 1.981 40.898 39.000 -0.139 0.000 1.337 343 F HN 0.470 nan 8.300 nan 0.000 0.464 344 T N 0.684 115.094 114.554 -0.238 0.000 2.841 344 T HA 0.286 4.635 4.350 -0.001 0.000 0.285 344 T C -1.531 172.995 174.700 -0.290 0.000 0.991 344 T CA -0.409 61.391 62.100 -0.500 0.000 0.966 344 T CB 0.906 69.367 68.868 -0.677 0.000 0.962 344 T HN 0.835 nan 8.240 nan 0.000 0.438 345 D N 3.381 123.521 120.400 -0.433 0.000 2.498 345 D HA 0.249 4.889 4.640 -0.001 0.000 0.229 345 D C 0.857 176.914 176.300 -0.405 0.000 1.188 345 D CA 0.108 53.923 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 2.017 117.535 115.700 -0.303 0.000 2.501 346 S HA 0.007 4.477 4.470 -0.001 0.000 0.220 346 S C 1.250 175.564 174.600 -0.477 0.000 0.997 346 S CA 0.066 58.037 58.200 -0.382 0.000 0.919 346 S CB 0.231 63.375 63.200 -0.092 0.000 0.778 346 S HN 0.536 nan 8.310 nan 0.000 0.523 347 E N 0.294 120.330 120.200 -0.273 0.000 2.474 347 E HA 0.129 4.479 4.350 -0.001 0.000 0.195 347 E C -0.887 175.737 176.600 0.039 0.000 1.039 347 E CA -0.319 56.035 56.400 -0.078 0.000 0.881 347 E CB 0.056 29.764 29.700 0.013 0.000 0.970 347 E HN 0.538 nan 8.360 nan 0.000 0.486 348 Y N 0.512 120.829 120.300 0.027 0.000 3.078 348 Y HA -0.296 4.253 4.550 -0.001 0.000 0.202 348 Y C 1.049 176.935 175.900 -0.024 0.000 1.322 348 Y CA 0.318 58.412 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 4.600 4.340 -0.001 0.000 0.209 349 Q C 0.373 176.292 176.000 -0.136 0.000 0.906 349 Q CA 0.182 56.016 55.803 0.051 0.000 0.927 349 Q CB 0.593 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 1.866 122.973 121.223 -0.193 0.000 2.325 350 L HA 0.383 4.722 4.340 -0.001 0.000 0.279 350 L C -2.227 174.486 176.870 -0.262 0.000 1.054 350 L CA -2.422 52.166 54.840 -0.419 0.000 0.804 350 L CB 0.967 42.755 42.059 -0.452 0.000 1.200 350 L HN -0.183 nan 8.230 nan 0.000 0.436 351 P HA -0.121 nan 4.420 nan 0.000 0.260 351 P C -1.078 176.263 177.300 0.067 0.000 1.185 351 P CA 0.166 63.218 63.100 -0.080 0.000 0.763 351 P CB -0.018 31.634 31.700 -0.080 0.000 0.776 352 Y N 4.152 124.447 120.300 -0.008 0.000 2.584 352 Y HA 0.118 4.668 4.550 -0.001 0.000 0.351 352 Y C 1.210 177.120 175.900 0.015 0.000 1.030 352 Y CA 0.288 58.395 58.100 0.011 0.000 1.332 352 Y CB 0.364 38.848 38.460 0.041 0.000 1.148 352 Y HN 0.150 nan 8.280 nan 0.000 0.528 353 V N 7.064 126.808 119.914 -0.284 0.000 3.647 353 V HA 0.128 4.248 4.120 -0.001 0.000 0.279 353 V C 0.523 176.432 176.094 -0.308 0.000 1.314 353 V CA 0.305 62.456 62.300 -0.248 0.000 1.125 353 V CB -0.612 31.017 31.823 -0.324 0.000 0.907 353 V HN 0.590 nan 8.190 nan 0.000 0.434 354 L N -0.248 120.622 121.223 -0.587 0.000 2.488 354 L HA 0.570 4.910 4.340 -0.001 0.000 0.249 354 L C 1.570 178.345 176.870 -0.157 0.000 1.151 354 L CA 0.295 54.885 54.840 -0.417 0.000 0.806 354 L CB -0.075 41.614 42.059 -0.616 0.000 1.261 354 L HN 0.282 nan 8.230 nan 0.000 0.484 355 G N 0.156 108.875 108.800 -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 -0.500 115.198 115.700 -0.002 0.000 2.754 356 S HA 0.578 5.048 4.470 -0.001 0.000 0.247 356 S C 1.482 175.937 174.600 -0.242 0.000 1.031 356 S CA 0.983 59.134 58.200 -0.082 0.000 1.014 356 S CB 0.646 63.827 63.200 -0.031 0.000 0.918 356 S HN 2.145 nan 8.310 nan 0.000 0.519 357 A N 1.598 124.349 122.820 -0.114 0.000 2.816 357 A HA -0.220 4.100 4.320 -0.001 0.000 0.270 357 A C 0.421 177.949 177.584 -0.092 0.000 1.413 357 A CA 0.898 52.888 52.037 -0.079 0.000 0.866 357 A CB -2.278 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 -0.118 118.955 119.070 0.004 0.000 2.767 358 H HA 0.252 4.807 4.556 -0.001 0.000 0.380 358 H C 1.010 176.361 175.328 0.038 0.000 1.409 358 H CA 0.930 56.992 56.048 0.023 0.000 1.463 358 H CB 0.290 30.076 29.762 0.040 0.000 1.514 358 H HN 0.744 nan 8.280 nan 0.000 0.619 359 Q N -1.193 118.724 119.800 0.196 0.000 2.180 359 Q HA 0.404 4.744 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 55.646 55.803 0.126 0.000 0.919 359 Q CB 1.630 30.432 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 -0.204 3.755 3.960 -0.001 0.000 0.193 360 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.193 360 G C 0.112 175.009 174.900 -0.004 0.000 0.998 360 G CA -0.347 44.786 45.100 0.056 0.000 0.668 360 G HN 0.576 nan 8.290 nan 0.000 0.516 361 C N 0.251 119.540 119.300 -0.019 0.000 2.641 361 C HA 0.613 5.072 4.460 -0.001 0.000 0.318 361 C C 1.597 176.408 174.990 -0.298 0.000 1.490 361 C CA -0.651 58.312 59.018 -0.091 0.000 2.260 361 C CB -0.017 27.705 27.740 -0.031 0.000 2.103 361 C HN 0.495 nan 8.230 nan 0.000 0.641 362 L N 2.386 123.427 121.223 -0.303 0.000 2.410 362 L HA 0.215 4.555 4.340 -0.001 0.000 0.273 362 L C -2.076 174.725 176.870 -0.114 0.000 1.152 362 L CA -1.107 53.472 54.840 -0.435 0.000 0.855 362 L CB -0.098 41.821 42.059 -0.233 0.000 1.129 362 L HN 0.387 nan 8.230 nan 0.000 0.463 363 P HA 0.023 nan 4.420 nan 0.000 0.262 363 P C -2.001 175.383 177.300 0.139 0.000 1.182 363 P CA -0.855 62.309 63.100 0.106 0.000 0.761 363 P CB 0.181 31.979 31.700 0.163 0.000 0.795 364 P HA -0.151 nan 4.420 nan 0.000 0.216 364 P C 0.213 177.515 177.300 0.004 0.000 1.150 364 P CA 1.248 64.411 63.100 0.105 0.000 0.843 364 P CB -0.021 31.622 31.700 -0.094 0.000 0.787 365 F N -0.202 119.589 119.950 -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 -2.999 54.776 58.000 -0.375 0.000 1.135 365 F CB 1.051 39.743 39.000 -0.512 0.000 1.120 365 F HN -0.110 nan 8.300 nan 0.000 0.495 366 P HA -0.149 nan 4.420 nan 0.000 0.218 366 P C 1.000 178.274 177.300 -0.045 0.000 1.148 366 P CA 1.751 64.760 63.100 -0.150 0.000 0.822 366 P CB 0.092 31.705 31.700 -0.145 0.000 0.784 367 A N -1.032 121.615 122.820 -0.288 0.000 2.119 367 A HA -0.055 4.265 4.320 -0.001 0.000 0.217 367 A C 0.657 178.350 177.584 0.182 0.000 1.153 367 A CA 0.726 52.761 52.037 -0.004 0.000 0.692 367 A CB -0.941 18.115 19.000 0.093 0.000 0.799 367 A HN 0.095 nan 8.150 nan 0.000 0.458 368 D N 0.162 120.715 120.400 0.255 0.000 2.348 368 D HA 0.378 5.018 4.640 -0.001 0.000 0.253 368 D C -0.190 176.273 176.300 0.272 0.000 1.161 368 D CA 0.143 54.301 54.000 0.263 0.000 0.876 368 D CB 1.383 42.351 40.800 0.280 0.000 1.160 368 D HN -0.019 nan 8.370 nan 0.000 0.459 369 V N 3.270 123.325 119.914 0.235 0.000 2.686 369 V HA 0.424 4.544 4.120 -0.001 0.000 0.295 369 V C 0.091 176.370 176.094 0.309 0.000 1.057 369 V CA -0.486 61.962 62.300 0.246 0.000 1.012 369 V CB 0.511 32.404 31.823 0.117 0.000 1.006 369 V HN 0.423 nan 8.190 nan 0.000 0.477 370 F N 2.516 122.556 119.950 0.149 0.000 2.593 370 F HA 0.777 5.303 4.527 -0.001 0.000 0.320 370 F C -0.459 175.422 175.800 0.134 0.000 1.060 370 F CA -1.349 56.732 58.000 0.134 0.000 0.940 370 F CB 1.942 41.028 39.000 0.143 0.000 1.268 370 F HN 0.446 nan 8.300 nan 0.000 0.475 371 M N 3.275 122.914 119.600 0.066 0.000 2.264 371 M HA 0.526 5.006 4.480 -0.001 0.000 0.352 371 M C -1.339 174.959 176.300 -0.004 0.000 1.173 371 M CA -0.850 54.426 55.300 -0.040 0.000 1.075 371 M CB 1.539 34.165 32.600 0.043 0.000 1.621 371 M HN 0.611 nan 8.290 nan 0.000 0.457 372 V N 7.361 127.198 119.914 -0.128 0.000 2.508 372 V HA 0.249 4.369 4.120 -0.001 0.000 0.281 372 V C -2.056 173.962 176.094 -0.127 0.000 1.041 372 V CA -1.268 60.923 62.300 -0.181 0.000 1.016 372 V CB 0.457 32.033 31.823 -0.411 0.000 0.984 372 V HN 0.758 nan 8.190 nan 0.000 0.478 373 P HA 0.100 nan 4.420 nan 0.000 0.269 373 P C -0.574 176.426 177.300 -0.500 0.000 1.215 373 P CA -0.143 62.708 63.100 -0.416 0.000 0.780 373 P CB 0.469 31.733 31.700 -0.726 0.000 0.898 374 Q N 1.282 120.762 119.800 -0.533 0.000 2.230 374 Q HA 0.238 4.578 4.340 -0.001 0.000 0.248 374 Q C -1.313 174.699 176.000 0.020 0.000 0.915 374 Q CA -0.704 54.709 55.803 -0.651 0.000 0.900 374 Q CB 0.494 28.482 28.738 -1.250 0.000 1.229 374 Q HN 0.377 nan 8.270 nan 0.000 0.439 375 Y N 1.477 121.777 120.300 -0.000 0.000 2.327 375 Y HA 0.581 5.131 4.550 -0.001 0.000 0.336 375 Y C -0.297 175.605 175.900 0.003 0.000 1.035 375 Y CA 0.141 58.259 58.100 0.031 0.000 1.165 375 Y CB 1.223 39.709 38.460 0.044 0.000 1.181 375 Y HN 0.639 nan 8.280 nan 0.000 0.494 376 G N 5.071 113.506 108.800 -0.608 0.000 2.696 376 G HA2 0.528 4.487 3.960 -0.001 0.000 0.295 376 G HA3 0.528 4.487 3.960 -0.001 0.000 0.295 376 G C -2.294 172.300 174.900 -0.510 0.000 1.398 376 G CA -0.823 43.992 45.100 -0.474 0.000 0.920 376 G HN 0.744 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 -1.693 56.296 58.100 -0.185 0.000 1.049 377 Y CB 1.538 39.917 38.460 -0.134 0.000 1.296 377 Y HN 0.467 nan 8.280 nan 0.000 0.470 378 L N 2.002 123.359 121.223 0.224 0.000 2.334 378 L HA 0.733 5.072 4.340 -0.001 0.000 0.273 378 L C -0.222 176.858 176.870 0.350 0.000 1.013 378 L CA -0.608 54.360 54.840 0.214 0.000 0.816 378 L CB 2.408 44.588 42.059 0.202 0.000 1.278 378 L HN 0.965 nan 8.230 nan 0.000 0.431 379 T N 0.344 115.102 114.554 0.340 0.000 2.688 379 T HA 0.452 4.802 4.350 -0.001 0.000 0.249 379 T C -0.891 173.989 174.700 0.299 0.000 0.944 379 T CA -0.681 61.648 62.100 0.383 0.000 1.058 379 T CB 0.886 70.036 68.868 0.470 0.000 1.673 379 T HN 0.118 nan 8.240 nan 0.000 0.565 380 L N 2.972 124.354 121.223 0.265 0.000 2.350 380 L HA 0.579 4.918 4.340 -0.001 0.000 0.275 380 L C -0.578 176.382 176.870 0.149 0.000 1.099 380 L CA -0.366 54.585 54.840 0.185 0.000 0.808 380 L CB 0.132 42.277 42.059 0.143 0.000 1.149 380 L HN 0.910 nan 8.230 nan 0.000 0.442 381 N N 1.280 120.046 118.700 0.110 0.000 2.331 381 N HA 0.328 5.068 4.740 -0.001 0.000 0.280 381 N C -1.379 174.136 175.510 0.010 0.000 1.155 381 N CA -0.734 52.342 53.050 0.043 0.000 0.822 381 N CB 0.943 39.503 38.487 0.122 0.000 1.619 381 N HN 0.363 nan 8.380 nan 0.000 0.476 382 N N 1.102 119.763 118.700 -0.064 0.000 2.816 382 N HA 0.435 5.175 4.740 -0.001 0.000 0.236 382 N C 0.636 176.066 175.510 -0.133 0.000 1.076 382 N CA 0.987 53.996 53.050 -0.069 0.000 0.902 382 N CB 0.046 38.488 38.487 -0.076 0.000 1.149 382 N HN 1.029 nan 8.380 nan 0.000 0.506 383 G N 2.335 111.050 108.800 -0.142 0.000 2.523 383 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.271 383 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.271 383 G C 0.791 175.483 174.900 -0.347 0.000 1.146 383 G CA 0.520 45.366 45.100 -0.423 0.000 0.961 383 G HN 0.776 nan 8.290 nan 0.000 0.549 384 S N 0.258 115.713 115.700 -0.409 0.000 2.528 384 S HA 0.301 4.771 4.470 -0.001 0.000 0.219 384 S C 1.074 175.603 174.600 -0.118 0.000 0.985 384 S CA 1.301 59.442 58.200 -0.099 0.000 0.914 384 S CB 0.234 63.427 63.200 -0.010 0.000 0.776 384 S HN 0.757 nan 8.310 nan 0.000 0.526 385 Q N 0.586 120.259 119.800 -0.212 0.000 2.237 385 Q HA 0.717 5.057 4.340 -0.001 0.000 0.219 385 Q C -0.318 175.392 176.000 -0.483 0.000 0.999 385 Q CA -0.411 55.205 55.803 -0.313 0.000 0.959 385 Q CB 1.168 29.769 28.738 -0.228 0.000 1.173 385 Q HN 0.490 nan 8.270 nan 0.000 0.527 386 A N 0.367 122.779 122.820 -0.680 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 -0.313 0.000 1.140 386 A CA -0.605 51.021 52.037 -0.684 0.000 0.826 386 A CB 1.000 19.252 19.000 -1.248 0.000 1.332 386 A HN 0.465 nan 8.150 nan 0.000 0.457 387 V N -0.464 119.346 119.914 -0.173 0.000 3.406 387 V HA 0.530 4.650 4.120 -0.001 0.000 0.305 387 V C 1.771 177.833 176.094 -0.052 0.000 1.136 387 V CA 0.315 62.565 62.300 -0.083 0.000 1.011 387 V CB 1.252 33.059 31.823 -0.026 0.000 1.221 387 V HN 1.131 nan 8.190 nan 0.000 0.454 388 G N -0.428 108.358 108.800 -0.024 0.000 2.464 388 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.217 388 G HA3 -0.073 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 -0.017 45.079 45.100 -0.006 0.000 0.793 388 G HN 0.576 nan 8.290 nan 0.000 0.539 389 R N 0.901 121.419 120.500 0.031 0.000 2.363 389 R HA 0.214 4.554 4.340 -0.001 0.000 0.236 389 R C 0.086 176.435 176.300 0.083 0.000 0.966 389 R CA -0.176 55.955 56.100 0.052 0.000 1.100 389 R CB 0.194 30.526 30.300 0.054 0.000 1.125 389 R HN 0.133 nan 8.270 nan 0.000 0.514 390 S N 0.360 116.117 115.700 0.095 0.000 2.584 390 S HA 0.219 4.688 4.470 -0.001 0.000 0.273 390 S C 0.070 174.766 174.600 0.160 0.000 1.311 390 S CA -0.282 58.019 58.200 0.168 0.000 1.034 390 S CB 1.711 65.038 63.200 0.213 0.000 0.939 390 S HN 0.060 nan 8.310 nan 0.000 0.513 391 S N 2.316 118.121 115.700 0.174 0.000 2.437 391 S HA 0.517 4.987 4.470 -0.001 0.000 0.305 391 S C -0.919 173.626 174.600 -0.091 0.000 1.109 391 S CA -0.550 57.610 58.200 -0.066 0.000 1.099 391 S CB 0.477 63.565 63.200 -0.186 0.000 1.004 391 S HN 0.556 nan 8.310 nan 0.000 0.475 392 F N 4.040 123.743 119.950 -0.411 0.000 2.427 392 F HA 0.561 5.088 4.527 -0.001 0.000 0.346 392 F C -1.484 174.000 175.800 -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 5.532 125.539 120.300 -0.489 0.000 2.328 393 Y HA 0.401 4.951 4.550 -0.001 0.000 0.333 393 Y C -0.071 175.455 175.900 -0.623 0.000 0.958 393 Y CA -0.858 56.962 58.100 -0.467 0.000 1.167 393 Y CB 1.408 39.675 38.460 -0.320 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 0.401 4.861 4.460 -0.001 0.000 0.340 394 C C 0.994 176.051 174.990 0.112 0.000 1.275 394 C CA -0.577 58.221 59.018 -0.366 0.000 1.811 394 C CB -0.806 26.663 27.740 -0.451 0.000 2.372 394 C HN 0.980 nan 8.230 nan 0.000 0.531 395 L N 4.414 125.763 121.223 0.209 0.000 2.554 395 L HA 0.149 4.489 4.340 -0.001 0.000 0.226 395 L C 2.260 179.185 176.870 0.091 0.000 1.137 395 L CA 1.256 56.082 54.840 -0.024 0.000 0.863 395 L CB -0.440 41.162 42.059 -0.763 0.000 0.985 395 L HN 0.690 nan 8.230 nan 0.000 0.451 396 E N -1.550 118.851 120.200 0.335 0.000 2.435 396 E HA -0.142 4.208 4.350 -0.001 0.000 0.195 396 E C 1.159 177.872 176.600 0.189 0.000 1.029 396 E CA 0.500 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 -0.135 120.158 120.300 -0.011 0.000 2.495 397 Y HA 0.120 4.669 4.550 -0.001 0.000 0.293 397 Y C -0.394 175.274 175.900 -0.385 0.000 1.186 397 Y CA -0.319 57.678 58.100 -0.172 0.000 1.266 397 Y CB -0.006 38.319 38.460 -0.225 0.000 1.101 397 Y HN -0.229 nan 8.280 nan 0.000 0.517 398 F N 0.999 120.699 119.950 -0.415 0.000 2.495 398 F HA 0.433 4.960 4.527 -0.001 0.000 0.327 398 F C -2.171 173.286 175.800 -0.572 0.000 1.103 398 F CA -3.139 54.471 58.000 -0.651 0.000 0.949 398 F CB 0.901 39.168 39.000 -1.222 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 -1.054 176.178 177.300 -0.113 0.000 1.215 399 P CA -0.053 62.953 63.100 -0.156 0.000 0.763 399 P CB 0.570 32.202 31.700 -0.113 0.000 0.806 400 S N 1.695 117.391 115.700 -0.007 0.000 2.548 400 S HA 0.396 4.866 4.470 -0.001 0.000 0.286 400 S C -0.829 173.874 174.600 0.172 0.000 1.098 400 S CA -1.036 57.249 58.200 0.142 0.000 0.930 400 S CB 1.619 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 0.392 4.731 4.340 -0.001 0.000 0.258 401 Q C -0.957 175.150 176.000 0.178 0.000 0.957 401 Q CA -0.169 55.760 55.803 0.211 0.000 0.919 401 Q CB 0.508 29.435 28.738 0.315 0.000 1.185 401 Q HN 0.719 nan 8.270 nan 0.000 0.408 402 M N 4.484 124.167 119.600 0.139 0.000 2.209 402 M HA 0.330 4.810 4.480 -0.001 0.000 0.355 402 M C -1.220 175.147 176.300 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 0.451 nan 8.290 nan 0.000 0.459 403 L N 2.845 124.132 121.223 0.107 0.000 2.362 403 L HA 0.591 4.931 4.340 -0.001 0.000 0.275 403 L C -0.138 176.785 176.870 0.088 0.000 0.998 403 L CA -0.336 54.573 54.840 0.116 0.000 0.820 403 L CB 1.703 43.855 42.059 0.154 0.000 1.270 403 L HN 0.598 nan 8.230 nan 0.000 0.415 404 R N -0.033 120.512 120.500 0.076 0.000 2.602 404 R HA 0.656 4.996 4.340 -0.001 0.000 0.237 404 R C -0.470 175.867 176.300 0.061 0.000 1.219 404 R CA -0.542 55.591 56.100 0.055 0.000 1.121 404 R CB 0.958 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 0.630 115.208 114.554 0.040 0.000 2.817 405 T HA 0.339 4.688 4.350 -0.001 0.000 0.295 405 T C 0.809 175.538 174.700 0.048 0.000 0.958 405 T CA 0.983 63.105 62.100 0.038 0.000 1.157 405 T CB 0.633 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 3.712 112.553 108.800 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 0.210 175.160 174.900 0.084 0.000 0.994 406 G CA -0.679 44.463 45.100 0.069 0.000 0.637 406 G HN 0.600 nan 8.290 nan 0.000 0.505 407 N N 1.727 120.485 118.700 0.097 0.000 2.445 407 N HA 0.563 5.303 4.740 -0.001 0.000 0.264 407 N C 0.111 175.719 175.510 0.162 0.000 1.227 407 N CA 0.392 53.512 53.050 0.117 0.000 0.963 407 N CB 0.887 39.444 38.487 0.118 0.000 1.188 407 N HN 0.761 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 5.123 4.740 -0.001 0.000 0.253 408 N C -1.880 173.804 175.510 0.290 0.000 1.466 408 N CA -0.561 52.635 53.050 0.243 0.000 0.858 408 N CB 1.292 39.907 38.487 0.213 0.000 1.459 408 N HN 0.366 nan 8.380 nan 0.000 0.532 409 F N 0.121 120.159 119.950 0.146 0.000 2.529 409 F HA 0.522 5.048 4.527 -0.001 0.000 0.320 409 F C -0.744 175.145 175.800 0.148 0.000 1.118 409 F CA -0.391 57.696 58.000 0.145 0.000 0.915 409 F CB 2.041 41.139 39.000 0.164 0.000 1.161 409 F HN 0.577 nan 8.300 nan 0.000 0.445 410 Q N 5.086 124.527 119.800 -0.600 0.000 2.377 410 Q HA 0.676 5.016 4.340 -0.001 0.000 0.271 410 Q C -2.047 173.717 176.000 -0.393 0.000 1.077 410 Q CA -0.643 54.953 55.803 -0.344 0.000 0.820 410 Q CB 2.131 30.750 28.738 -0.199 0.000 1.347 410 Q HN 0.691 nan 8.270 nan 0.000 0.444 411 F N 0.659 120.472 119.950 -0.229 0.000 2.669 411 F HA 0.581 5.107 4.527 -0.001 0.000 0.315 411 F C -1.597 174.202 175.800 -0.002 0.000 1.109 411 F CA -0.238 57.700 58.000 -0.103 0.000 1.028 411 F CB 1.490 40.531 39.000 0.067 0.000 1.287 411 F HN 0.505 nan 8.300 nan 0.000 0.452 412 S N 4.602 119.809 115.700 -0.822 0.000 2.536 412 S HA 0.609 5.079 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 -0.631 0.000 0.950 412 S CB 1.993 64.988 63.200 -0.341 0.000 1.056 412 S HN 0.643 nan 8.310 nan 0.000 0.481 413 Y N 0.987 120.897 120.300 -0.650 0.000 2.524 413 Y HA 0.613 5.162 4.550 -0.001 0.000 0.347 413 Y C -1.106 174.552 175.900 -0.403 0.000 1.005 413 Y CA -0.387 57.380 58.100 -0.554 0.000 1.025 413 Y CB 1.784 39.919 38.460 -0.541 0.000 1.275 413 Y HN 0.550 nan 8.280 nan 0.000 0.460 414 T N 6.537 120.376 114.554 -1.191 0.000 2.815 414 T HA 0.410 4.759 4.350 -0.001 0.000 0.289 414 T C -0.820 173.203 174.700 -1.129 0.000 1.000 414 T CA -0.403 61.191 62.100 -0.844 0.000 0.958 414 T CB 0.097 68.677 68.868 -0.480 0.000 0.944 414 T HN 0.411 nan 8.240 nan 0.000 0.442 415 F N 2.590 122.145 119.950 -0.659 0.000 2.490 415 F HA 0.229 4.756 4.527 -0.001 0.000 0.336 415 F C 1.530 177.146 175.800 -0.307 0.000 1.178 415 F CA -0.459 57.314 58.000 -0.379 0.000 1.301 415 F CB 0.574 39.425 39.000 -0.247 0.000 1.175 415 F HN 0.568 nan 8.300 nan 0.000 0.593 416 E N -0.156 120.043 120.200 -0.002 0.000 2.359 416 E HA 0.229 4.579 4.350 -0.001 0.000 0.255 416 E C -1.316 175.261 176.600 -0.039 0.000 1.191 416 E CA -0.964 55.413 56.400 -0.037 0.000 0.952 416 E CB 0.380 30.081 29.700 0.002 0.000 1.152 416 E HN 0.358 nan 8.360 nan 0.000 0.496 417 D N 0.637 121.008 120.400 -0.049 0.000 2.342 417 D HA 0.180 4.820 4.640 -0.001 0.000 0.260 417 D C -1.135 175.137 176.300 -0.046 0.000 1.278 417 D CA 0.200 54.163 54.000 -0.062 0.000 0.910 417 D CB 0.984 41.756 40.800 -0.047 0.000 1.079 417 D HN 0.218 nan 8.370 nan 0.000 0.496 418 V N 4.423 124.295 119.914 -0.071 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 -2.383 59.917 62.300 0.001 0.000 0.872 418 V CB 2.051 33.925 31.823 0.084 0.000 0.998 418 V HN 0.325 nan 8.190 nan 0.000 0.423 419 P HA 0.077 nan 4.420 nan 0.000 0.266 419 P C -0.524 176.869 177.300 0.155 0.000 1.186 419 P CA 0.332 63.480 63.100 0.080 0.000 0.767 419 P CB 0.102 31.856 31.700 0.090 0.000 0.820 420 F N 0.822 120.871 119.950 0.164 0.000 2.595 420 F HA 0.018 4.545 4.527 -0.001 0.000 0.359 420 F C 1.785 177.667 175.800 0.136 0.000 1.147 420 F CA 0.480 58.591 58.000 0.186 0.000 1.341 420 F CB -0.053 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 0.887 120.028 119.070 0.119 0.000 2.679 421 H HA 0.199 4.754 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 55.524 56.048 -0.145 0.000 1.419 421 H CB 0.689 30.133 29.762 -0.530 0.000 1.458 421 H HN 0.470 nan 8.280 nan 0.000 0.605 422 S N 2.423 117.555 115.700 -0.947 0.000 2.416 422 S HA 0.084 4.553 4.470 -0.001 0.000 0.302 422 S C 0.125 174.419 174.600 -0.510 0.000 1.120 422 S CA -0.402 57.415 58.200 -0.637 0.000 1.067 422 S CB 0.304 62.966 63.200 -0.897 0.000 1.057 422 S HN 0.592 nan 8.310 nan 0.000 0.518 423 S N 2.953 118.665 115.700 0.019 0.000 2.602 423 S HA 0.256 4.726 4.470 -0.001 0.000 0.246 423 S C -0.181 174.498 174.600 0.132 0.000 1.009 423 S CA -0.553 57.732 58.200 0.142 0.000 1.052 423 S CB -0.508 62.863 63.200 0.285 0.000 0.778 423 S HN 0.806 nan 8.310 nan 0.000 0.455 424 Y N -1.709 118.469 120.300 -0.203 0.000 2.638 424 Y HA 0.891 5.441 4.550 -0.001 0.000 0.339 424 Y C -0.814 174.879 175.900 -0.345 0.000 1.084 424 Y CA -1.888 56.020 58.100 -0.320 0.000 1.068 424 Y CB 0.734 38.800 38.460 -0.656 0.000 1.294 424 Y HN -0.057 nan 8.280 nan 0.000 0.480 425 A N 1.082 123.749 122.820 -0.256 0.000 2.414 425 A HA 0.539 4.859 4.320 -0.001 0.000 0.306 425 A C -1.502 175.962 177.584 -0.199 0.000 1.054 425 A CA -0.890 50.965 52.037 -0.304 0.000 0.724 425 A CB 0.680 19.587 19.000 -0.155 0.000 1.267 425 A HN 0.844 nan 8.150 nan 0.000 0.418 426 H N 1.805 120.853 119.070 -0.038 0.000 2.764 426 H HA 0.122 4.678 4.556 -0.001 0.000 0.341 426 H C 1.361 176.684 175.328 -0.008 0.000 1.072 426 H CA 1.002 57.050 56.048 -0.001 0.000 1.444 426 H CB 1.344 31.100 29.762 -0.010 0.000 1.458 426 H HN 0.783 nan 8.280 nan 0.000 0.572 427 S N 2.207 117.978 115.700 0.118 0.000 2.558 427 S HA 0.039 4.509 4.470 -0.001 0.000 0.217 427 S C 0.581 175.223 174.600 0.069 0.000 0.975 427 S CA -0.088 58.157 58.200 0.076 0.000 0.912 427 S CB 0.487 63.728 63.200 0.067 0.000 0.776 427 S HN 0.595 nan 8.310 nan 0.000 0.526 428 Q N 0.383 120.230 119.800 0.078 0.000 2.486 428 Q HA 0.661 5.001 4.340 -0.001 0.000 0.274 428 Q C -1.132 174.885 176.000 0.028 0.000 1.076 428 Q CA -0.803 55.025 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 -0.375 115.330 115.700 0.008 0.000 2.526 429 S HA 0.326 4.795 4.470 -0.001 0.000 0.293 429 S C 0.686 175.280 174.600 -0.009 0.000 1.092 429 S CA -0.565 57.633 58.200 -0.003 0.000 0.980 429 S CB 0.878 64.079 63.200 0.003 0.000 1.048 429 S HN 0.717 nan 8.310 nan 0.000 0.483 430 L N 2.298 123.512 121.223 -0.015 0.000 2.137 430 L HA -0.167 4.173 4.340 -0.001 0.000 0.213 430 L C 1.920 178.808 176.870 0.030 0.000 1.085 430 L CA 2.069 56.917 54.840 0.015 0.000 0.760 430 L CB -0.225 41.849 42.059 0.026 0.000 0.893 430 L HN 0.819 nan 8.230 nan 0.000 0.434 431 D N -1.631 118.772 120.400 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 54.127 54.000 -0.008 0.000 0.875 431 D CB 0.031 40.816 40.800 -0.025 0.000 0.966 431 D HN 0.152 nan 8.370 nan 0.000 0.512 432 R N 1.173 121.670 120.500 -0.004 0.000 4.017 432 R HA 0.235 4.575 4.340 -0.001 0.000 0.272 432 R C 0.555 176.859 176.300 0.006 0.000 1.516 432 R CA -0.272 55.827 56.100 -0.003 0.000 1.519 432 R CB 0.445 30.745 30.300 0.000 0.000 1.422 432 R HN 0.199 nan 8.270 nan 0.000 0.719 433 L N 0.483 121.712 121.223 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 0.852 55.706 54.840 0.024 0.000 0.873 433 L CB 0.139 42.230 42.059 0.053 0.000 1.139 433 L HN 0.196 nan 8.230 nan 0.000 0.490 434 M N -0.872 118.727 119.600 -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 -0.370 54.923 55.300 -0.011 0.000 0.959 434 M CB -0.806 31.772 32.600 -0.036 0.000 1.313 434 M HN -0.140 nan 8.290 nan 0.000 0.530 435 N N 0.765 119.457 118.700 -0.013 0.000 2.408 435 N HA 0.300 5.040 4.740 -0.001 0.000 0.257 435 N C -2.149 173.353 175.510 -0.012 0.000 1.064 435 N CA -1.703 51.342 53.050 -0.008 0.000 0.952 435 N CB 0.704 39.188 38.487 -0.005 0.000 1.093 435 N HN 0.345 nan 8.380 nan 0.000 0.490 436 P HA -0.020 nan 4.420 nan 0.000 0.225 436 P C 0.815 178.110 177.300 -0.007 0.000 1.148 436 P CA 0.642 63.737 63.100 -0.008 0.000 0.779 436 P CB 0.488 32.186 31.700 -0.003 0.000 0.780 437 L N -2.121 119.099 121.223 -0.005 0.000 2.470 437 L HA 0.140 4.480 4.340 -0.001 0.000 0.219 437 L C 1.022 177.890 176.870 -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 -0.526 175.579 176.117 -0.019 0.000 0.995 438 I CA -0.839 60.457 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 2.949 123.338 120.400 -0.019 0.000 2.253 439 D HA 0.370 5.009 4.640 -0.001 0.000 0.249 439 D C 0.189 176.451 176.300 -0.064 0.000 1.049 439 D CA -0.345 53.631 54.000 -0.040 0.000 0.929 439 D CB 0.849 41.628 40.800 -0.036 0.000 1.176 439 D HN 0.351 nan 8.370 nan 0.000 0.437 440 Q N 0.134 119.864 119.800 -0.118 0.000 2.500 440 Q HA 0.165 4.504 4.340 -0.001 0.000 0.215 440 Q C 0.133 176.035 176.000 -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 29.042 28.738 -0.266 0.000 1.239 440 Q HN 0.692 nan 8.270 nan 0.000 0.578 441 Y N -2.011 118.254 120.300 -0.058 0.000 2.531 441 Y HA 0.433 4.983 4.550 -0.001 0.000 0.249 441 Y C -0.185 175.707 175.900 -0.014 0.000 1.168 441 Y CA -0.510 57.568 58.100 -0.037 0.000 1.226 441 Y CB 0.377 38.845 38.460 0.013 0.000 1.177 441 Y HN 0.173 nan 8.280 nan 0.000 0.527 442 L N 0.978 122.155 121.223 -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 0.048 0.000 0.803 442 L CB 1.090 43.127 42.059 -0.036 0.000 1.207 442 L HN 0.084 nan 8.230 nan 0.000 0.445 443 Y N 0.398 120.740 120.300 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 1.853 40.294 38.460 -0.032 0.000 1.226 443 Y HN 0.393 nan 8.280 nan 0.000 0.460 444 Y N 0.434 120.883 120.300 0.248 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 1.150 39.672 38.460 0.103 0.000 1.284 444 Y HN 0.545 nan 8.280 nan 0.000 0.485 445 L N 3.245 124.720 121.223 0.420 0.000 2.257 445 L HA 0.411 4.751 4.340 -0.001 0.000 0.290 445 L C -0.038 176.912 176.870 0.133 0.000 1.044 445 L CA -0.080 54.843 54.840 0.140 0.000 0.810 445 L CB 0.590 42.703 42.059 0.091 0.000 1.193 445 L HN 1.045 nan 8.230 nan 0.000 0.425 446 N N 2.573 121.276 118.700 0.005 0.000 2.210 446 N HA 0.164 4.904 4.740 -0.001 0.000 0.203 446 N C -0.384 175.123 175.510 -0.005 0.000 1.175 446 N CA -0.659 52.452 53.050 0.101 0.000 0.894 446 N CB 0.584 39.211 38.487 0.232 0.000 1.041 446 N HN 0.334 nan 8.380 nan 0.000 0.506 447 R N 1.051 121.490 120.500 -0.102 0.000 2.476 447 R HA 0.258 4.597 4.340 -0.001 0.000 0.305 447 R C 0.075 176.290 176.300 -0.141 0.000 0.965 447 R CA -0.318 55.721 56.100 -0.102 0.000 0.867 447 R CB 1.488 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 -1.542 112.958 114.554 -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 1.068 120.836 119.800 -0.052 0.000 2.577 449 Q HA 0.360 4.700 4.340 -0.001 0.000 0.242 449 Q C 1.511 177.489 176.000 -0.038 0.000 0.818 449 Q CA -0.013 55.766 55.803 -0.040 0.000 0.962 449 Q CB -0.493 28.229 28.738 -0.028 0.000 1.272 449 Q HN 0.320 nan 8.270 nan 0.000 0.593 450 G N 1.743 110.523 108.800 -0.034 0.000 2.151 450 G HA2 0.271 4.231 3.960 -0.001 0.000 0.269 450 G HA3 0.271 4.231 3.960 -0.001 0.000 0.269 450 G C -0.420 174.461 174.900 -0.032 0.000 1.069 450 G CA 0.856 45.939 45.100 -0.028 0.000 1.080 450 G HN 0.370 nan 8.290 nan 0.000 0.405 451 T N 0.735 115.273 114.554 -0.026 0.000 2.551 451 T HA 0.332 4.682 4.350 -0.001 0.000 0.249 451 T C 0.673 175.362 174.700 -0.017 0.000 0.851 451 T CA -0.578 61.507 62.100 -0.025 0.000 1.149 451 T CB 0.609 69.460 68.868 -0.027 0.000 1.456 451 T HN 0.184 nan 8.240 nan 0.000 0.514 452 T N 2.855 117.400 114.554 -0.015 0.000 3.826 452 T HA 0.120 4.470 4.350 -0.001 0.000 0.239 452 T C 0.623 175.317 174.700 -0.010 0.000 1.007 452 T CA 0.149 62.243 62.100 -0.011 0.000 1.171 452 T CB -0.653 68.209 68.868 -0.009 0.000 1.153 452 T HN 0.532 nan 8.240 nan 0.000 0.854 453 S N 2.611 118.305 115.700 -0.010 0.000 3.829 453 S HA 0.349 4.818 4.470 -0.001 0.000 0.250 453 S C 1.246 175.841 174.600 -0.007 0.000 1.263 453 S CA -0.158 58.036 58.200 -0.009 0.000 0.955 453 S CB -0.643 62.551 63.200 -0.010 0.000 1.611 453 S HN 0.811 nan 8.310 nan 0.000 0.483 454 G N 2.009 110.805 108.800 -0.007 0.000 2.449 454 G HA2 0.293 4.253 3.960 -0.001 0.000 0.192 454 G HA3 0.293 4.253 3.960 -0.001 0.000 0.192 454 G C -0.222 174.674 174.900 -0.006 0.000 1.776 454 G CA -0.120 44.976 45.100 -0.006 0.000 0.699 454 G HN 0.512 nan 8.290 nan 0.000 0.745 455 T N 1.581 116.132 114.554 -0.006 0.000 2.824 455 T HA 0.475 4.825 4.350 -0.001 0.000 0.280 455 T C 0.286 174.983 174.700 -0.006 0.000 0.995 455 T CA 0.557 62.654 62.100 -0.005 0.000 1.009 455 T CB 1.252 70.117 68.868 -0.004 0.000 0.955 455 T HN 0.509 nan 8.240 nan 0.000 0.452 456 T N 3.276 117.827 114.554 -0.006 0.000 3.935 456 T HA -0.173 4.176 4.350 -0.001 0.000 0.346 456 T C 0.161 174.856 174.700 -0.008 0.000 0.758 456 T CA 0.579 62.675 62.100 -0.006 0.000 1.874 456 T CB -1.236 67.628 68.868 -0.005 0.000 1.875 456 T HN 0.617 nan 8.240 nan 0.000 0.802 457 N N 1.679 120.374 118.700 -0.009 0.000 2.851 457 N HA 0.126 4.866 4.740 -0.001 0.000 0.248 457 N C 1.423 176.926 175.510 -0.012 0.000 1.221 457 N CA -0.459 52.584 53.050 -0.011 0.000 0.847 457 N CB 1.288 39.768 38.487 -0.012 0.000 1.150 457 N HN 0.534 nan 8.380 nan 0.000 0.507 458 Q N 0.278 120.071 119.800 -0.012 0.000 2.036 458 Q HA 0.042 4.382 4.340 -0.001 0.000 0.195 458 Q C 0.327 176.317 176.000 -0.017 0.000 0.971 458 Q CA 0.842 56.637 55.803 -0.013 0.000 0.826 458 Q CB -0.072 28.659 28.738 -0.011 0.000 0.896 458 Q HN 0.337 nan 8.270 nan 0.000 0.449 459 S N -1.046 114.642 115.700 -0.020 0.000 2.596 459 S HA 0.787 5.256 4.470 -0.001 0.000 0.270 459 S C -1.019 173.562 174.600 -0.032 0.000 1.155 459 S CA -1.006 57.177 58.200 -0.027 0.000 0.827 459 S CB 3.082 66.267 63.200 -0.025 0.000 1.130 459 S HN 0.422 nan 8.310 nan 0.000 0.467 460 R N 0.212 120.683 120.500 -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 1.008 31.278 30.300 -0.050 0.000 1.258 460 R HN 0.781 nan 8.270 nan 0.000 0.469 461 L N 5.138 126.287 121.223 -0.123 0.000 2.259 461 L HA 0.451 4.790 4.340 -0.001 0.000 0.288 461 L C -0.675 175.945 176.870 -0.416 0.000 1.051 461 L CA -0.433 54.249 54.840 -0.264 0.000 0.824 461 L CB 0.849 42.815 42.059 -0.155 0.000 1.206 461 L HN 0.345 nan 8.230 nan 0.000 0.429 462 L N 3.663 124.556 121.223 -0.550 0.000 2.365 462 L HA 0.591 4.930 4.340 -0.001 0.000 0.273 462 L C -0.922 175.561 176.870 -0.646 0.000 1.000 462 L CA -0.459 54.116 54.840 -0.441 0.000 0.819 462 L CB 1.968 43.908 42.059 -0.199 0.000 1.284 462 L HN 0.303 nan 8.230 nan 0.000 0.418 463 F N 0.297 120.211 119.950 -0.060 0.000 2.520 463 F HA 0.518 5.045 4.527 -0.001 0.000 0.322 463 F C 0.316 176.067 175.800 -0.081 0.000 1.103 463 F CA -0.526 57.424 58.000 -0.083 0.000 0.926 463 F CB 2.232 41.207 39.000 -0.042 0.000 1.154 463 F HN 0.265 nan 8.300 nan 0.000 0.453 464 S N 1.564 117.156 115.700 -0.180 0.000 2.503 464 S HA 0.308 4.778 4.470 -0.001 0.000 0.301 464 S C -0.826 173.511 174.600 -0.439 0.000 1.087 464 S CA -0.802 57.228 58.200 -0.284 0.000 1.042 464 S CB 1.665 64.617 63.200 -0.413 0.000 1.043 464 S HN 0.657 nan 8.310 nan 0.000 0.489 465 Q N 2.384 121.966 119.800 -0.364 0.000 2.286 465 Q HA 0.529 4.868 4.340 -0.001 0.000 0.257 465 Q C -0.178 175.701 176.000 -0.202 0.000 0.941 465 Q CA -0.707 54.652 55.803 -0.740 0.000 0.912 465 Q CB 0.787 28.967 28.738 -0.929 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 0.313 177.899 177.584 0.002 0.000 1.053 466 A CA 0.764 52.872 52.037 0.119 0.000 0.755 466 A CB 0.039 19.048 19.000 0.015 0.000 0.980 466 A HN 0.863 nan 8.150 nan 0.000 0.506 467 G N 1.154 109.972 108.800 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 1.577 178.870 177.300 -0.012 0.000 1.145 468 P CA 1.118 64.208 63.100 -0.017 0.000 0.795 468 P CB 0.332 32.025 31.700 -0.011 0.000 0.775 469 Q N -0.250 119.549 119.800 -0.002 0.000 1.994 469 Q HA -0.044 4.296 4.340 -0.001 0.000 0.198 469 Q C 1.334 177.333 176.000 -0.001 0.000 0.976 469 Q CA 1.558 57.363 55.803 0.003 0.000 0.828 469 Q CB -0.773 27.974 28.738 0.015 0.000 0.894 469 Q HN 0.295 nan 8.270 nan 0.000 0.432 470 S N 0.338 116.043 115.700 0.009 0.000 3.864 470 S HA 0.129 4.599 4.470 -0.001 0.000 0.202 470 S C 0.994 175.545 174.600 -0.082 0.000 1.402 470 S CA -0.204 57.984 58.200 -0.019 0.000 1.072 470 S CB -0.178 63.050 63.200 0.046 0.000 1.383 470 S HN 0.247 nan 8.310 nan 0.000 0.458 471 M N 2.109 121.671 119.600 -0.062 0.000 2.319 471 M HA -0.061 4.418 4.480 -0.001 0.000 0.265 471 M C 1.638 177.884 176.300 -0.090 0.000 1.068 471 M CA 1.352 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 -1.140 114.499 115.700 -0.101 0.000 2.574 472 S HA 0.260 4.729 4.470 -0.001 0.000 0.242 472 S C 0.841 175.344 174.600 -0.162 0.000 0.982 472 S CA -0.543 57.592 58.200 -0.109 0.000 0.977 472 S CB -0.159 62.992 63.200 -0.081 0.000 0.814 472 S HN 0.545 nan 8.310 nan 0.000 0.464 473 L N -0.231 120.844 121.223 -0.247 0.000 2.840 473 L HA 0.314 4.654 4.340 -0.001 0.000 0.249 473 L C 0.634 177.219 176.870 -0.474 0.000 1.119 473 L CA -0.230 54.357 54.840 -0.422 0.000 0.930 473 L CB 0.096 41.748 42.059 -0.677 0.000 1.295 473 L HN 0.264 nan 8.230 nan 0.000 0.534 474 Q N 1.350 120.962 119.800 -0.315 0.000 2.428 474 Q HA 0.278 4.618 4.340 -0.001 0.000 0.276 474 Q C 0.508 176.409 176.000 -0.164 0.000 1.059 474 Q CA -0.094 55.578 55.803 -0.218 0.000 0.923 474 Q CB 0.838 29.488 28.738 -0.146 0.000 1.283 474 Q HN 0.274 nan 8.270 nan 0.000 0.447 475 A N 2.076 124.823 122.820 -0.122 0.000 2.531 475 A HA 0.155 4.475 4.320 -0.001 0.000 0.236 475 A C 0.036 177.545 177.584 -0.124 0.000 1.062 475 A CA 0.262 52.237 52.037 -0.103 0.000 0.760 475 A CB 0.282 19.228 19.000 -0.090 0.000 0.995 475 A HN 0.604 nan 8.150 nan 0.000 0.501 476 R N 0.323 120.749 120.500 -0.123 0.000 2.892 476 R HA 0.483 4.823 4.340 -0.001 0.000 0.265 476 R C 0.349 176.511 176.300 -0.230 0.000 1.025 476 R CA -0.604 55.411 56.100 -0.143 0.000 0.982 476 R CB 1.042 31.287 30.300 -0.092 0.000 1.185 476 R HN 0.732 nan 8.270 nan 0.000 0.484 477 N N -0.453 118.025 118.700 -0.371 0.000 2.332 477 N HA 0.174 4.914 4.740 -0.001 0.000 0.190 477 N C -0.968 173.994 175.510 -0.913 0.000 1.117 477 N CA 0.345 52.925 53.050 -0.783 0.000 0.883 477 N CB 0.473 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 0.168 121.470 121.300 0.004 0.000 2.975 478 W HA 0.590 5.250 4.660 -0.001 0.000 0.342 478 W C -0.609 175.926 176.519 0.027 0.000 1.168 478 W CA -0.816 56.540 57.345 0.019 0.000 1.141 478 W CB 0.833 30.297 29.460 0.007 0.000 1.445 478 W HN -0.354 nan 8.180 nan 0.000 0.560 479 L N 1.945 123.362 121.223 0.323 0.000 2.322 479 L HA 0.626 4.965 4.340 -0.001 0.000 0.269 479 L C -2.103 174.895 176.870 0.213 0.000 1.012 479 L CA -2.808 52.163 54.840 0.217 0.000 0.815 479 L CB 0.578 42.769 42.059 0.219 0.000 1.295 479 L HN 0.049 nan 8.230 nan 0.000 0.438 480 P HA 0.223 nan 4.420 nan 0.000 0.275 480 P C -0.068 177.379 177.300 0.245 0.000 1.266 480 P CA -0.344 62.851 63.100 0.158 0.000 0.793 480 P CB 0.442 32.178 31.700 0.060 0.000 1.074 481 G N 0.594 109.539 108.800 0.242 0.000 2.683 481 G HA2 0.301 4.260 3.960 -0.001 0.000 0.260 481 G HA3 0.301 4.260 3.960 -0.001 0.000 0.260 481 G C -2.297 172.651 174.900 0.079 0.000 1.238 481 G CA -0.930 44.275 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 -0.041 177.200 177.300 -0.099 0.000 1.260 482 P CA -0.113 62.864 63.100 -0.204 0.000 0.793 482 P CB 0.830 32.315 31.700 -0.358 0.000 1.048 483 C N -0.818 118.411 119.300 -0.118 0.000 3.239 483 C HA 0.694 5.153 4.460 -0.001 0.000 0.317 483 C C -1.677 173.346 174.990 0.056 0.000 1.310 483 C CA -0.732 58.288 59.018 0.004 0.000 1.371 483 C CB 0.695 28.501 27.740 0.111 0.000 1.714 483 C HN 0.617 nan 8.230 nan 0.000 0.473 484 Y N 1.928 122.198 120.300 -0.049 0.000 2.484 484 Y HA 0.484 5.033 4.550 -0.001 0.000 0.348 484 Y C 0.417 176.311 175.900 -0.011 0.000 1.103 484 Y CA -0.313 57.764 58.100 -0.038 0.000 1.317 484 Y CB 0.434 38.877 38.460 -0.028 0.000 1.096 484 Y HN 1.034 nan 8.280 nan 0.000 0.568 485 R N 3.692 124.105 120.500 -0.146 0.000 2.500 485 R HA -0.001 4.339 4.340 -0.001 0.000 0.281 485 R C -0.382 175.872 176.300 -0.076 0.000 0.953 485 R CA 0.785 56.829 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 2.158 121.939 119.800 -0.032 0.000 2.241 486 Q HA 0.134 4.473 4.340 -0.001 0.000 0.262 486 Q C -0.708 175.251 176.000 -0.068 0.000 1.014 486 Q CA -0.856 54.914 55.803 -0.054 0.000 0.885 486 Q CB 1.622 30.314 28.738 -0.076 0.000 1.311 486 Q HN 0.504 nan 8.270 nan 0.000 0.461 487 Q N 1.140 120.895 119.800 -0.074 0.000 2.340 487 Q HA 0.151 4.491 4.340 -0.001 0.000 0.249 487 Q C -0.816 175.150 176.000 -0.058 0.000 0.957 487 Q CA 0.162 55.946 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 3.003 123.477 120.500 -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 -0.449 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 1.776 122.888 121.223 -0.185 0.000 2.341 489 L HA 0.433 4.773 4.340 -0.001 0.000 0.267 489 L C -0.250 176.515 176.870 -0.175 0.000 1.009 489 L CA -0.182 54.486 54.840 -0.285 0.000 0.819 489 L CB 2.020 43.578 42.059 -0.834 0.000 1.323 489 L HN 0.574 nan 8.230 nan 0.000 0.425 490 S N 0.102 115.768 115.700 -0.056 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 1.111 121.516 120.400 0.007 0.000 2.296 491 K HA 0.031 4.351 4.320 -0.001 0.000 0.200 491 K C 0.194 176.802 176.600 0.012 0.000 1.048 491 K CA 0.730 57.069 56.287 0.086 0.000 0.966 491 K CB -0.203 32.317 32.500 0.033 0.000 0.754 491 K HN 0.541 nan 8.250 nan 0.000 0.466 492 T N 1.751 116.276 114.554 -0.048 0.000 2.727 492 T HA 0.215 4.565 4.350 -0.001 0.000 0.295 492 T C 0.496 175.195 174.700 -0.000 0.000 0.915 492 T CA -0.366 61.714 62.100 -0.033 0.000 1.066 492 T CB 1.297 70.129 68.868 -0.060 0.000 0.891 492 T HN 0.118 nan 8.240 nan 0.000 0.516 493 A N 3.940 126.770 122.820 0.018 0.000 2.190 493 A HA 0.068 4.388 4.320 -0.001 0.000 0.226 493 A C 1.516 179.122 177.584 0.037 0.000 1.402 493 A CA -0.085 51.974 52.037 0.037 0.000 1.288 493 A CB -0.801 18.220 19.000 0.035 0.000 0.833 493 A HN 0.956 nan 8.150 nan 0.000 0.564 494 N N -2.555 116.163 118.700 0.030 0.000 1.952 494 N HA -0.033 4.706 4.740 -0.001 0.000 0.228 494 N C -0.517 175.015 175.510 0.036 0.000 1.398 494 N CA 0.181 53.249 53.050 0.031 0.000 0.817 494 N CB 0.110 38.608 38.487 0.019 0.000 1.101 494 N HN 0.142 nan 8.380 nan 0.000 0.498 495 D N 0.854 121.279 120.400 0.041 0.000 2.323 495 D HA 0.092 4.732 4.640 -0.001 0.000 0.209 495 D C 0.097 176.447 176.300 0.083 0.000 0.973 495 D CA 0.539 54.579 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 0.251 nan 8.370 nan 0.000 0.521 496 N N 1.059 119.811 118.700 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 -0.333 52.781 53.050 0.107 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 0.753 119.451 118.700 -0.003 0.000 2.492 497 N HA -0.099 4.641 4.740 -0.001 0.000 0.262 497 N C -0.166 175.364 175.510 0.033 0.000 1.202 497 N CA 0.278 53.290 53.050 -0.063 0.000 0.926 497 N CB 0.139 38.469 38.487 -0.261 0.000 1.078 497 N HN 0.471 nan 8.380 nan 0.000 0.454 498 N N 1.638 120.352 118.700 0.024 0.000 3.210 498 N HA -0.023 4.716 4.740 -0.001 0.000 0.314 498 N C -0.845 174.706 175.510 0.068 0.000 1.291 498 N CA -0.276 52.807 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 -0.774 174.020 174.600 0.324 0.000 1.138 499 S CA -1.076 57.222 58.200 0.164 0.000 0.855 499 S CB 1.604 64.860 63.200 0.093 0.000 1.136 499 S HN 0.240 nan 8.310 nan 0.000 0.484 500 N N 0.741 119.597 118.700 0.259 0.000 2.699 500 N HA 0.420 5.160 4.740 -0.001 0.000 0.232 500 N C -0.601 175.064 175.510 0.258 0.000 1.027 500 N CA -1.037 52.140 53.050 0.212 0.000 0.920 500 N CB -0.284 38.269 38.487 0.110 0.000 1.148 500 N HN 0.678 nan 8.380 nan 0.000 0.509 501 F N 1.158 121.150 119.950 0.069 0.000 2.791 501 F HA 0.573 5.100 4.527 -0.001 0.000 0.308 501 F C -1.840 174.024 175.800 0.105 0.000 1.138 501 F CA -1.608 56.438 58.000 0.077 0.000 1.294 501 F CB 0.664 39.687 39.000 0.039 0.000 0.975 501 F HN 0.190 nan 8.300 nan 0.000 0.512 502 P HA -0.077 nan 4.420 nan 0.000 0.242 502 P C 0.777 178.184 177.300 0.178 0.000 1.197 502 P CA 1.107 64.161 63.100 -0.078 0.000 0.765 502 P CB -0.053 31.613 31.700 -0.056 0.000 0.936 503 W N -0.285 121.020 121.300 0.009 0.000 3.792 503 W HA 0.021 4.680 4.660 -0.001 0.000 0.217 503 W C 0.909 177.462 176.519 0.057 0.000 1.098 503 W CA 0.844 58.204 57.345 0.025 0.000 1.657 503 W CB -0.118 29.342 29.460 -0.000 0.000 0.773 503 W HN -0.099 nan 8.180 nan 0.000 0.836 504 T N -0.480 114.134 114.554 0.099 0.000 3.055 504 T HA 0.223 4.573 4.350 -0.001 0.000 0.265 504 T C 1.353 176.049 174.700 -0.008 0.000 1.111 504 T CA 1.131 63.227 62.100 -0.005 0.000 1.118 504 T CB 0.042 68.986 68.868 0.126 0.000 0.909 504 T HN 0.088 nan 8.240 nan 0.000 0.501 505 A N 0.233 123.107 122.820 0.090 0.000 2.545 505 A HA 0.835 5.154 4.320 -0.001 0.000 0.263 505 A C 0.997 178.646 177.584 0.108 0.000 1.202 505 A CA -0.074 52.038 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 -0.008 122.848 122.820 0.060 0.000 2.279 506 A HA 0.670 4.990 4.320 -0.001 0.000 0.303 506 A C 0.376 177.997 177.584 0.061 0.000 1.108 506 A CA -0.245 51.856 52.037 0.106 0.000 0.830 506 A CB 0.380 19.525 19.000 0.241 0.000 1.106 506 A HN 0.239 nan 8.150 nan 0.000 0.493 507 S N 0.792 116.583 115.700 0.152 0.000 2.549 507 S HA 0.452 4.922 4.470 -0.001 0.000 0.279 507 S C 0.006 174.736 174.600 0.216 0.000 1.321 507 S CA -0.218 58.101 58.200 0.199 0.000 1.054 507 S CB 0.171 63.551 63.200 0.300 0.000 0.899 507 S HN 0.667 nan 8.310 nan 0.000 0.497 508 K N 1.143 121.648 120.400 0.175 0.000 2.571 508 K HA 0.581 4.900 4.320 -0.001 0.000 0.289 508 K C -1.610 175.077 176.600 0.144 0.000 1.028 508 K CA -1.050 55.261 56.287 0.039 0.000 0.895 508 K CB 1.159 33.526 32.500 -0.222 0.000 1.534 508 K HN 0.581 nan 8.250 nan 0.000 0.421 509 Y N -1.676 118.648 120.300 0.041 0.000 2.638 509 Y HA 0.620 5.170 4.550 -0.001 0.000 0.339 509 Y C -1.094 174.880 175.900 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 40.083 38.460 -0.028 0.000 1.294 509 Y HN 0.749 nan 8.280 nan 0.000 0.480 510 H N 1.945 121.168 119.070 0.256 0.000 2.877 510 H HA 0.549 5.105 4.556 -0.001 0.000 0.347 510 H C -2.366 173.099 175.328 0.229 0.000 1.042 510 H CA -1.049 55.090 56.048 0.153 0.000 1.276 510 H CB 1.572 31.377 29.762 0.073 0.000 1.681 510 H HN 0.879 nan 8.280 nan 0.000 0.521 511 L N 4.173 125.480 121.223 0.141 0.000 2.305 511 L HA 0.184 4.524 4.340 -0.001 0.000 0.284 511 L C 0.398 177.339 176.870 0.117 0.000 1.013 511 L CA -0.646 54.234 54.840 0.066 0.000 0.819 511 L CB 1.072 43.230 42.059 0.164 0.000 1.227 511 L HN 0.866 nan 8.230 nan 0.000 0.417 512 N N 3.172 121.922 118.700 0.084 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 -0.767 37.782 38.487 0.104 0.000 0.979 512 N HN 1.059 nan 8.380 nan 0.000 0.550 513 G N 0.004 109.016 108.800 0.354 0.000 2.273 513 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.280 513 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.280 513 G C -0.105 174.929 174.900 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 0.399 121.065 120.500 0.278 0.000 2.507 514 R HA 0.280 4.619 4.340 -0.001 0.000 0.298 514 R C -1.116 175.295 176.300 0.185 0.000 1.087 514 R CA -0.835 55.383 56.100 0.197 0.000 0.917 514 R CB 0.792 31.194 30.300 0.169 0.000 1.173 514 R HN 0.133 nan 8.270 nan 0.000 0.472 515 D N 1.972 122.476 120.400 0.173 0.000 2.417 515 D HA 0.096 4.736 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 0.808 54.875 54.000 0.112 0.000 0.881 515 D CB 1.542 42.433 40.800 0.151 0.000 1.164 515 D HN 0.334 nan 8.370 nan 0.000 0.467 516 S N 1.634 117.157 115.700 -0.295 0.000 2.521 516 S HA 0.301 4.770 4.470 -0.001 0.000 0.295 516 S C -0.375 173.955 174.600 -0.451 0.000 1.098 516 S CA -0.763 57.189 58.200 -0.413 0.000 0.999 516 S CB 1.811 64.572 63.200 -0.732 0.000 1.034 516 S HN 0.295 nan 8.310 nan 0.000 0.483 517 L N 4.058 125.190 121.223 -0.152 0.000 2.418 517 L HA 0.306 4.646 4.340 -0.001 0.000 0.274 517 L C -0.240 176.574 176.870 -0.093 0.000 1.135 517 L CA 0.180 54.944 54.840 -0.127 0.000 0.870 517 L CB 0.526 42.531 42.059 -0.091 0.000 1.154 517 L HN 0.505 nan 8.230 nan 0.000 0.462 518 V N 6.866 126.794 119.914 0.022 0.000 2.070 518 V HA -0.003 4.116 4.120 -0.001 0.000 0.239 518 V C 1.369 177.556 176.094 0.156 0.000 1.472 518 V CA 0.121 62.516 62.300 0.159 0.000 1.453 518 V CB -0.959 30.981 31.823 0.195 0.000 1.503 518 V HN 0.914 nan 8.190 nan 0.000 0.501 519 N N 5.279 123.992 118.700 0.022 0.000 2.030 519 N HA -0.026 4.713 4.740 -0.001 0.000 0.194 519 N C -1.898 173.768 175.510 0.259 0.000 1.074 519 N CA 1.074 54.149 53.050 0.042 0.000 0.860 519 N CB -0.434 38.026 38.487 -0.045 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 4.837 113.718 108.800 0.135 0.000 2.509 521 G HA2 0.417 4.377 3.960 -0.001 0.000 0.269 521 G HA3 0.417 4.377 3.960 -0.001 0.000 0.269 521 G C -2.418 172.518 174.900 0.061 0.000 1.416 521 G CA -1.671 43.480 45.100 0.085 0.000 1.052 521 G HN 0.243 nan 8.290 nan 0.000 0.542 522 P HA 0.215 nan 4.420 nan 0.000 0.269 522 P C -0.152 177.171 177.300 0.039 0.000 1.205 522 P CA 0.161 63.259 63.100 -0.004 0.000 0.780 522 P CB 0.321 31.984 31.700 -0.061 0.000 0.858 523 A N 3.467 126.314 122.820 0.045 0.000 2.496 523 A HA 0.307 4.627 4.320 -0.001 0.000 0.278 523 A C 0.112 177.740 177.584 0.074 0.000 1.137 523 A CA 0.509 52.599 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 2.247 121.895 119.600 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 -0.433 54.911 55.300 0.073 0.000 0.890 524 M CB 2.295 34.940 32.600 0.074 0.000 1.710 524 M HN 0.678 nan 8.290 nan 0.000 0.453 525 A N 1.105 123.953 122.820 0.047 0.000 2.445 525 A HA 0.329 4.648 4.320 -0.001 0.000 0.242 525 A C 0.770 178.374 177.584 0.034 0.000 1.075 525 A CA -0.171 51.877 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 0.678 175.402 174.600 0.206 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 0.253 119.387 119.070 0.107 0.000 3.037 527 H HA 0.499 5.055 4.556 -0.001 0.000 0.355 527 H C -1.212 174.160 175.328 0.075 0.000 1.263 527 H CA -1.188 54.924 56.048 0.107 0.000 1.129 527 H CB 0.972 30.828 29.762 0.156 0.000 1.861 527 H HN 0.087 nan 8.280 nan 0.000 0.546 528 K N 0.768 121.266 120.400 0.163 0.000 2.179 528 K HA 0.224 4.544 4.320 -0.001 0.000 0.238 528 K C -0.602 176.102 176.600 0.172 0.000 1.033 528 K CA -0.775 55.564 56.287 0.086 0.000 0.926 528 K CB 0.650 33.179 32.500 0.048 0.000 1.151 528 K HN 0.327 nan 8.250 nan 0.000 0.492 529 D N 1.270 121.730 120.400 0.100 0.000 2.449 529 D HA -0.017 4.623 4.640 -0.001 0.000 0.236 529 D C -0.423 175.953 176.300 0.128 0.000 1.149 529 D CA 0.939 55.006 54.000 0.112 0.000 0.878 529 D CB 0.071 40.907 40.800 0.061 0.000 1.198 529 D HN 0.568 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 0.552 176.919 176.300 0.112 0.000 1.136 530 D CA 0.920 54.978 54.000 0.097 0.000 0.668 530 D CB -0.446 40.396 40.800 0.070 0.000 1.060 530 D HN 0.587 nan 8.370 nan 0.000 0.429 531 E N -0.721 119.557 120.200 0.129 0.000 3.470 531 E HA 0.092 4.441 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 -0.085 56.384 56.400 0.115 0.000 1.240 531 E CB 0.406 30.257 29.700 0.252 0.000 2.780 531 E HN 0.049 nan 8.360 nan 0.000 0.573 532 E N 0.758 120.713 120.200 -0.408 0.000 3.916 532 E HA -0.264 4.085 4.350 -0.001 0.000 0.331 532 E C 0.769 177.153 176.600 -0.361 0.000 0.729 532 E CA 1.786 57.716 56.400 -0.784 0.000 1.222 532 E CB -1.044 28.456 29.700 -0.333 0.000 1.633 532 E HN 0.318 nan 8.360 nan 0.000 0.437 533 K N -0.982 119.284 120.400 -0.224 0.000 2.399 533 K HA 0.176 4.496 4.320 -0.001 0.000 0.196 533 K C 0.133 176.593 176.600 -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 32.554 32.500 -0.347 0.000 0.952 533 K HN 0.054 nan 8.250 nan 0.000 0.541 534 F N 3.007 122.969 119.950 0.019 0.000 2.404 534 F HA 0.313 4.840 4.527 -0.001 0.000 0.358 534 F C -0.171 175.705 175.800 0.126 0.000 1.120 534 F CA -1.337 56.686 58.000 0.038 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 3.254 123.312 119.950 0.180 0.000 2.508 535 F HA 0.801 5.327 4.527 -0.001 0.000 0.325 535 F C -3.117 172.750 175.800 0.113 0.000 1.090 535 F CA -3.844 54.238 58.000 0.137 0.000 0.945 535 F CB 0.770 39.815 39.000 0.075 0.000 1.156 535 F HN 0.114 nan 8.300 nan 0.000 0.463 536 P HA 0.059 nan 4.420 nan 0.000 0.268 536 P C -0.270 176.989 177.300 -0.069 0.000 1.204 536 P CA -0.213 62.883 63.100 -0.008 0.000 0.768 536 P CB 0.639 32.374 31.700 0.058 0.000 0.842 537 M N 5.644 125.110 119.600 -0.224 0.000 2.861 537 M HA -0.072 4.408 4.480 -0.001 0.000 0.347 537 M C 1.083 177.095 176.300 -0.480 0.000 1.791 537 M CA 0.813 55.959 55.300 -0.257 0.000 1.332 537 M CB -1.406 31.038 32.600 -0.260 0.000 2.040 537 M HN 0.605 nan 8.290 nan 0.000 0.463 538 H N 0.847 120.035 119.070 0.197 0.000 2.884 538 H HA -0.198 4.358 4.556 -0.001 0.000 0.289 538 H C 0.508 175.914 175.328 0.130 0.000 1.142 538 H CA 0.585 56.723 56.048 0.149 0.000 1.158 538 H CB -2.174 27.644 29.762 0.094 0.000 1.325 538 H HN 0.880 nan 8.280 nan 0.000 0.366 539 G N 0.920 109.756 108.800 0.060 0.000 3.155 539 G HA2 0.075 4.035 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 0.416 175.403 174.900 0.147 0.000 1.196 539 G CA 0.409 45.565 45.100 0.094 0.000 0.846 539 G HN 0.918 nan 8.290 nan 0.000 0.516 540 N N -1.206 117.586 118.700 0.153 0.000 3.046 540 N HA 0.242 4.982 4.740 -0.001 0.000 0.243 540 N C -1.616 173.913 175.510 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 0.397 121.598 121.223 -0.037 0.000 2.371 541 L HA 0.521 4.860 4.340 -0.001 0.000 0.272 541 L C 0.017 176.646 176.870 -0.401 0.000 1.124 541 L CA -0.043 54.665 54.840 -0.220 0.000 0.816 541 L CB 0.319 42.232 42.059 -0.244 0.000 1.129 541 L HN 0.515 nan 8.230 nan 0.000 0.448 542 I N 2.795 123.066 120.570 -0.498 0.000 2.499 542 I HA 0.358 4.527 4.170 -0.001 0.000 0.288 542 I C -0.999 174.806 176.117 -0.521 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 -0.227 0.000 1.238 542 I HN 0.295 nan 8.210 nan 0.000 0.426 543 F N 2.919 122.821 119.950 -0.079 0.000 2.443 543 F HA 0.617 5.144 4.527 -0.001 0.000 0.335 543 F C 0.993 176.759 175.800 -0.058 0.000 1.104 543 F CA -0.736 57.232 58.000 -0.053 0.000 1.013 543 F CB 1.848 40.819 39.000 -0.048 0.000 1.136 543 F HN 0.409 nan 8.300 nan 0.000 0.470 544 G N 2.758 111.643 108.800 0.141 0.000 2.353 544 G HA2 0.341 4.300 3.960 -0.001 0.000 0.284 544 G HA3 0.341 4.300 3.960 -0.001 0.000 0.284 544 G C -0.499 174.422 174.900 0.036 0.000 1.172 544 G CA -0.715 44.418 45.100 0.055 0.000 0.854 544 G HN 0.559 nan 8.290 nan 0.000 0.485 545 K N 0.698 121.095 120.400 -0.004 0.000 2.285 545 K HA 0.031 4.351 4.320 -0.001 0.000 0.255 545 K C 0.307 176.883 176.600 -0.040 0.000 1.000 545 K CA -0.076 56.187 56.287 -0.040 0.000 0.887 545 K CB 0.547 33.013 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 0.100 4.449 4.350 -0.001 0.000 0.266 546 E C -0.296 176.278 176.600 -0.043 0.000 1.031 546 E CA 0.975 57.340 56.400 -0.059 0.000 0.911 546 E CB 0.116 29.761 29.700 -0.093 0.000 0.986 546 E HN 0.630 nan 8.360 nan 0.000 0.446 547 G N 3.685 112.471 108.800 -0.023 0.000 2.694 547 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.247 547 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.247 547 G C -0.409 174.479 174.900 -0.020 0.000 0.989 547 G CA 0.094 45.183 45.100 -0.019 0.000 1.252 547 G HN 0.628 nan 8.290 nan 0.000 0.483 548 T N 1.405 115.952 114.554 -0.012 0.000 3.578 548 T HA 0.459 4.809 4.350 -0.001 0.000 0.343 548 T C 0.349 175.044 174.700 -0.009 0.000 1.126 548 T CA -0.089 62.003 62.100 -0.014 0.000 1.092 548 T CB 1.178 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 2.510 117.057 114.554 -0.011 0.000 2.939 549 T HA 0.167 4.517 4.350 -0.001 0.000 0.312 549 T C 1.630 176.324 174.700 -0.010 0.000 1.064 549 T CA 0.280 62.374 62.100 -0.010 0.000 1.136 549 T CB 0.474 69.334 68.868 -0.012 0.000 1.035 549 T HN 0.768 nan 8.240 nan 0.000 0.538 550 A N 2.516 125.331 122.820 -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 0.263 52.293 52.037 -0.011 0.000 0.761 550 A CB 0.163 19.159 19.000 -0.007 0.000 0.801 550 A HN 0.608 nan 8.150 nan 0.000 0.473 551 S N 0.143 115.832 115.700 -0.018 0.000 2.530 551 S HA 0.417 4.887 4.470 -0.001 0.000 0.322 551 S C -0.462 174.126 174.600 -0.020 0.000 1.085 551 S CA -0.703 57.484 58.200 -0.022 0.000 1.096 551 S CB -0.303 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 0.662 53.701 53.050 -0.018 0.000 0.750 552 N CB -0.419 38.058 38.487 -0.017 0.000 0.949 552 N HN 0.670 nan 8.380 nan 0.000 0.555 553 A N 1.212 124.021 122.820 -0.018 0.000 2.306 553 A HA 0.577 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 20.014 19.000 -0.021 0.000 1.178 553 A HN 0.497 nan 8.150 nan 0.000 0.490 554 E N 0.121 120.309 120.200 -0.020 0.000 2.408 554 E HA 0.180 4.529 4.350 -0.001 0.000 0.259 554 E C 0.883 177.466 176.600 -0.029 0.000 1.110 554 E CA -0.172 56.216 56.400 -0.020 0.000 0.929 554 E CB 0.573 30.262 29.700 -0.019 0.000 0.971 554 E HN 0.554 nan 8.360 nan 0.000 0.438 555 L N 2.433 123.640 121.223 -0.027 0.000 2.265 555 L HA -0.105 4.235 4.340 -0.001 0.000 0.215 555 L C 0.761 177.599 176.870 -0.053 0.000 1.117 555 L CA 1.797 56.611 54.840 -0.044 0.000 0.782 555 L CB -0.091 41.950 42.059 -0.030 0.000 0.914 555 L HN 0.549 nan 8.230 nan 0.000 0.441 556 D N -0.705 119.670 120.400 -0.041 0.000 2.349 556 D HA -0.037 4.602 4.640 -0.001 0.000 0.224 556 D C 0.918 177.191 176.300 -0.045 0.000 1.029 556 D CA 0.327 54.301 54.000 -0.043 0.000 0.879 556 D CB -0.007 40.772 40.800 -0.036 0.000 0.906 556 D HN 0.412 nan 8.370 nan 0.000 0.528 557 N N 0.051 118.725 118.700 -0.044 0.000 2.205 557 N HA 0.025 4.765 4.740 -0.001 0.000 0.201 557 N C 0.240 175.725 175.510 -0.041 0.000 1.128 557 N CA 0.068 53.093 53.050 -0.041 0.000 0.867 557 N CB 1.607 40.074 38.487 -0.033 0.000 0.996 557 N HN 0.097 nan 8.380 nan 0.000 0.503 558 V N -2.117 117.766 119.914 -0.051 0.000 3.113 558 V HA 0.661 4.780 4.120 -0.001 0.000 0.316 558 V C -0.372 175.687 176.094 -0.058 0.000 1.125 558 V CA -0.979 61.290 62.300 -0.051 0.000 1.026 558 V CB 2.445 34.225 31.823 -0.072 0.000 1.080 558 V HN -0.185 nan 8.190 nan 0.000 0.444 559 M N 2.838 122.418 119.600 -0.032 0.000 2.085 559 M HA 0.585 5.065 4.480 -0.001 0.000 0.309 559 M C -1.018 175.248 176.300 -0.056 0.000 0.947 559 M CA -0.135 55.152 55.300 -0.022 0.000 0.918 559 M CB 1.675 34.301 32.600 0.043 0.000 1.504 559 M HN 0.554 nan 8.290 nan 0.000 0.420 560 I N 2.355 122.852 120.570 -0.122 0.000 2.428 560 I HA 0.370 4.539 4.170 -0.001 0.000 0.296 560 I C 0.586 176.641 176.117 -0.104 0.000 0.985 560 I CA -0.680 60.513 61.300 -0.179 0.000 1.260 560 I CB 1.798 39.598 38.000 -0.333 0.000 1.389 560 I HN 0.604 nan 8.210 nan 0.000 0.484 561 T N 0.297 114.784 114.554 -0.111 0.000 2.767 561 T HA 0.308 4.657 4.350 -0.001 0.000 0.288 561 T C -0.554 174.181 174.700 0.059 0.000 0.963 561 T CA -0.848 61.201 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 2.168 122.647 120.400 0.132 0.000 2.274 562 D HA 0.204 4.843 4.640 -0.001 0.000 0.239 562 D C -0.086 176.338 176.300 0.207 0.000 1.104 562 D CA -0.421 53.698 54.000 0.198 0.000 0.840 562 D CB 0.930 41.868 40.800 0.230 0.000 1.100 562 D HN 0.453 nan 8.370 nan 0.000 0.477 563 E N 3.264 123.567 120.200 0.172 0.000 2.360 563 E HA 0.062 4.411 4.350 -0.001 0.000 0.253 563 E C 0.072 176.690 176.600 0.031 0.000 1.189 563 E CA -0.045 56.434 56.400 0.132 0.000 1.252 563 E CB 0.328 30.112 29.700 0.140 0.000 1.408 563 E HN 0.651 nan 8.360 nan 0.000 0.464 564 E N -0.357 119.845 120.200 0.003 0.000 2.501 564 E HA 0.098 4.448 4.350 -0.001 0.000 0.200 564 E C 0.302 176.870 176.600 -0.054 0.000 1.016 564 E CA 0.036 56.377 56.400 -0.098 0.000 0.921 564 E CB 0.297 29.904 29.700 -0.156 0.000 1.034 564 E HN -0.001 nan 8.360 nan 0.000 0.468 565 E N 1.086 121.266 120.200 -0.032 0.000 2.340 565 E HA 0.081 4.431 4.350 -0.001 0.000 0.194 565 E C 1.707 178.280 176.600 -0.044 0.000 0.996 565 E CA 0.416 56.785 56.400 -0.052 0.000 0.869 565 E CB 0.110 29.761 29.700 -0.082 0.000 0.835 565 E HN 0.533 nan 8.360 nan 0.000 0.493 566 I N -1.883 118.673 120.570 -0.024 0.000 3.855 566 I HA 0.248 4.417 4.170 -0.001 0.000 0.327 566 I C 1.039 177.167 176.117 0.019 0.000 1.359 566 I CA -0.122 61.182 61.300 0.007 0.000 1.142 566 I CB 0.111 38.124 38.000 0.022 0.000 1.041 566 I HN -0.127 nan 8.210 nan 0.000 0.403 567 R N 1.493 121.990 120.500 -0.006 0.000 2.249 567 R HA -0.094 4.246 4.340 -0.001 0.000 0.230 567 R C 1.999 178.302 176.300 0.005 0.000 1.121 567 R CA 1.914 58.006 56.100 -0.013 0.000 0.997 567 R CB -0.365 29.914 30.300 -0.035 0.000 0.867 567 R HN 0.655 nan 8.270 nan 0.000 0.465 568 T N -3.813 110.755 114.554 0.024 0.000 3.057 568 T HA 0.017 4.367 4.350 -0.001 0.000 0.254 568 T C 1.681 176.387 174.700 0.009 0.000 1.094 568 T CA 0.941 63.054 62.100 0.020 0.000 1.088 568 T CB 0.377 69.269 68.868 0.041 0.000 0.934 568 T HN 0.268 nan 8.240 nan 0.000 0.497 569 T N -1.597 112.978 114.554 0.036 0.000 2.964 569 T HA 0.316 4.665 4.350 -0.001 0.000 0.250 569 T C 0.322 175.078 174.700 0.093 0.000 0.982 569 T CA -0.475 61.653 62.100 0.047 0.000 0.959 569 T CB -0.251 68.651 68.868 0.057 0.000 1.141 569 T HN 0.339 nan 8.240 nan 0.000 0.494 570 N N 2.179 120.928 118.700 0.082 0.000 2.319 570 N HA 0.608 5.348 4.740 -0.001 0.000 0.305 570 N C -3.104 172.439 175.510 0.054 0.000 1.103 570 N CA -1.898 51.207 53.050 0.092 0.000 0.815 570 N CB 1.783 40.329 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 -0.384 62.741 63.100 0.041 0.000 0.788 571 P CB 0.559 32.334 31.700 0.125 0.000 0.949 572 V N 1.389 121.314 119.914 0.018 0.000 2.614 572 V HA 0.184 4.303 4.120 -0.001 0.000 0.291 572 V C 1.636 177.751 176.094 0.034 0.000 1.049 572 V CA 0.439 62.751 62.300 0.019 0.000 1.038 572 V CB 0.234 32.060 31.823 0.004 0.000 0.980 572 V HN 0.710 nan 8.190 nan 0.000 0.481 573 A N 3.800 126.646 122.820 0.043 0.000 1.902 573 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 573 A C 2.222 179.816 177.584 0.016 0.000 1.181 573 A CA 2.326 54.389 52.037 0.044 0.000 0.623 573 A CB -0.711 18.323 19.000 0.058 0.000 0.818 573 A HN 1.007 nan 8.150 nan 0.000 0.443 574 T N -2.561 111.996 114.554 0.005 0.000 3.014 574 T HA 0.067 4.417 4.350 -0.001 0.000 0.263 574 T C 0.764 175.438 174.700 -0.044 0.000 1.078 574 T CA 0.431 62.514 62.100 -0.029 0.000 1.135 574 T CB -0.162 68.682 68.868 -0.040 0.000 0.895 574 T HN 0.379 nan 8.240 nan 0.000 0.480 575 E N 2.393 122.574 120.200 -0.031 0.000 2.376 575 E HA 0.210 4.560 4.350 -0.001 0.000 0.254 575 E C 0.559 177.148 176.600 -0.019 0.000 1.213 575 E CA -0.320 56.057 56.400 -0.038 0.000 0.945 575 E CB 0.477 30.155 29.700 -0.036 0.000 1.057 575 E HN 0.758 nan 8.360 nan 0.000 0.479 576 Q N -0.329 119.459 119.800 -0.020 0.000 2.700 576 Q HA -0.014 4.326 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 0.044 55.853 55.803 0.010 0.000 1.193 576 Q CB 0.163 28.899 28.738 -0.004 0.000 1.250 576 Q HN 0.622 nan 8.270 nan 0.000 0.670 577 Y N -1.292 118.984 120.300 -0.041 0.000 2.351 577 Y HA 0.411 4.961 4.550 -0.001 0.000 0.291 577 Y C 0.635 176.520 175.900 -0.024 0.000 1.153 577 Y CA 1.152 59.234 58.100 -0.030 0.000 1.193 577 Y CB 0.833 39.274 38.460 -0.032 0.000 1.187 577 Y HN 0.802 nan 8.280 nan 0.000 0.524 578 G N -1.193 107.636 108.800 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 -1.456 173.465 174.900 0.035 0.000 1.223 578 G CA -0.365 44.711 45.100 -0.041 0.000 0.871 578 G HN -0.066 nan 8.290 nan 0.000 0.492 579 T N 0.179 114.749 114.554 0.027 0.000 2.879 579 T HA 0.613 4.963 4.350 -0.001 0.000 0.290 579 T C -0.852 173.868 174.700 0.034 0.000 0.993 579 T CA -0.229 61.885 62.100 0.023 0.000 0.975 579 T CB 1.658 70.525 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 2.628 580 V HA 0.852 4.971 4.120 -0.001 0.000 0.306 580 V C 0.348 176.452 176.094 0.016 0.000 1.045 580 V CA -1.203 61.114 62.300 0.028 0.000 0.905 580 V CB 1.728 33.568 31.823 0.028 0.000 0.997 580 V HN 1.063 nan 8.190 nan 0.000 0.436 581 A N 3.161 125.990 122.820 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 19.188 19.000 0.013 0.000 1.047 581 A HN 1.061 nan 8.150 nan 0.000 0.487 582 N N 1.136 119.840 118.700 0.005 0.000 2.604 582 N HA 0.122 4.862 4.740 -0.001 0.000 0.284 582 N C -1.203 174.309 175.510 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 4.942 4.740 -0.001 0.000 0.238 583 N C -1.729 173.785 175.510 0.006 0.000 1.466 583 N CA -0.583 52.469 53.050 0.004 0.000 0.882 583 N CB 0.719 39.207 38.487 0.002 0.000 1.406 583 N HN 0.048 nan 8.380 nan 0.000 0.500 584 L N 1.405 122.631 121.223 0.005 0.000 2.417 584 L HA 0.273 4.613 4.340 -0.001 0.000 0.258 584 L C 0.121 176.994 176.870 0.006 0.000 1.088 584 L CA -0.851 53.993 54.840 0.007 0.000 0.975 584 L CB 0.505 42.568 42.059 0.007 0.000 1.341 584 L HN 0.601 nan 8.230 nan 0.000 0.431 585 Q N 2.006 121.810 119.800 0.006 0.000 2.349 585 Q HA 0.407 4.746 4.340 -0.001 0.000 0.287 585 Q C 0.041 176.044 176.000 0.004 0.000 1.044 585 Q CA -0.002 55.804 55.803 0.004 0.000 0.918 585 Q CB 1.136 29.877 28.738 0.004 0.000 1.242 585 Q HN 0.558 nan 8.270 nan 0.000 0.405 586 S N 0.466 116.167 115.700 0.002 0.000 2.757 586 S HA 0.429 4.898 4.470 -0.001 0.000 0.285 586 S C 0.446 175.046 174.600 -0.000 0.000 1.196 586 S CA -0.308 57.893 58.200 0.002 0.000 0.856 586 S CB 0.323 63.524 63.200 0.003 0.000 1.212 586 S HN 0.858 nan 8.310 nan 0.000 0.516 587 S N 1.223 116.923 115.700 -0.001 0.000 2.402 587 S HA -0.091 4.379 4.470 -0.001 0.000 0.229 587 S C 1.253 175.852 174.600 -0.002 0.000 1.021 587 S CA 1.104 59.303 58.200 -0.002 0.000 0.974 587 S CB -0.873 62.325 63.200 -0.002 0.000 0.800 587 S HN 0.646 nan 8.310 nan 0.000 0.484 588 N N 1.538 120.237 118.700 -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 53.976 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 0.416 114.969 114.554 -0.001 0.000 2.807 589 T HA 0.616 4.965 4.350 -0.001 0.000 0.279 589 T C -0.342 174.357 174.700 -0.002 0.000 0.993 589 T CA -0.807 61.292 62.100 -0.001 0.000 0.970 589 T CB 2.417 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 4.945 127.763 122.820 -0.003 0.000 2.328 590 A HA 0.624 4.943 4.320 -0.001 0.000 0.284 590 A C -2.156 175.427 177.584 -0.002 0.000 1.160 590 A CA -1.662 50.373 52.037 -0.003 0.000 0.818 590 A CB -0.261 18.737 19.000 -0.004 0.000 1.087 590 A HN 0.578 nan 8.150 nan 0.000 0.504 591 P HA 0.077 nan 4.420 nan 0.000 0.261 591 P C -0.318 176.981 177.300 -0.001 0.000 1.183 591 P CA 0.555 63.655 63.100 -0.000 0.000 0.761 591 P CB 0.274 31.975 31.700 0.001 0.000 0.785 592 T N 2.562 117.116 114.554 -0.001 0.000 2.867 592 T HA 0.409 4.758 4.350 -0.001 0.000 0.282 592 T C 0.176 174.875 174.700 -0.001 0.000 1.000 592 T CA -0.223 61.875 62.100 -0.002 0.000 1.042 592 T CB 0.959 69.825 68.868 -0.003 0.000 0.973 592 T HN 0.235 nan 8.240 nan 0.000 0.465 593 T N 3.351 117.903 114.554 -0.004 0.000 2.824 593 T HA 0.528 4.877 4.350 -0.001 0.000 0.282 593 T C -0.470 174.227 174.700 -0.005 0.000 0.993 593 T CA -0.761 61.337 62.100 -0.003 0.000 0.967 593 T CB 1.117 69.982 68.868 -0.005 0.000 0.960 593 T HN 0.281 nan 8.240 nan 0.000 0.441 594 R N 2.286 122.785 120.500 -0.002 0.000 2.480 594 R HA 0.390 4.729 4.340 -0.001 0.000 0.306 594 R C -0.839 175.461 176.300 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 31.758 30.300 -0.004 0.000 1.171 594 R HN 0.601 nan 8.270 nan 0.000 0.445 595 T N 3.375 117.926 114.554 -0.005 0.000 2.779 595 T HA 0.067 4.416 4.350 -0.001 0.000 0.296 595 T C -0.173 174.530 174.700 0.006 0.000 0.938 595 T CA -0.034 62.066 62.100 0.000 0.000 1.119 595 T CB 0.650 69.510 68.868 -0.012 0.000 0.891 595 T HN 0.351 nan 8.240 nan 0.000 0.526 596 V N 5.845 125.780 119.914 0.036 0.000 2.408 596 V HA 0.272 4.392 4.120 -0.001 0.000 0.267 596 V C 0.602 176.716 176.094 0.033 0.000 1.047 596 V CA -0.344 61.977 62.300 0.034 0.000 0.937 596 V CB 0.458 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 4.464 123.144 118.700 -0.034 0.000 2.254 597 N HA 0.149 4.889 4.740 -0.001 0.000 0.190 597 N C -0.417 175.015 175.510 -0.130 0.000 1.107 597 N CA 0.156 53.166 53.050 -0.067 0.000 0.869 597 N CB 0.614 39.039 38.487 -0.102 0.000 0.983 597 N HN 0.787 nan 8.380 nan 0.000 0.487 598 D N 0.648 120.961 120.400 -0.145 0.000 2.855 598 D HA 0.188 4.828 4.640 -0.001 0.000 0.241 598 D C -1.538 174.632 176.300 -0.216 0.000 1.277 598 D CA -0.351 53.543 54.000 -0.177 0.000 0.918 598 D CB 1.528 42.226 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 29.800 28.738 -1.021 0.000 1.247 599 Q HN 0.529 nan 8.270 nan 0.000 0.455 600 G N 1.995 110.659 108.800 -0.226 0.000 2.441 600 G HA2 0.490 4.450 3.960 -0.001 0.000 0.258 600 G HA3 0.490 4.450 3.960 -0.001 0.000 0.258 600 G C -0.675 174.080 174.900 -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 -1.270 121.403 122.820 -0.245 0.000 2.306 601 A HA 0.746 5.066 4.320 -0.001 0.000 0.314 601 A C -0.605 176.949 177.584 -0.050 0.000 1.164 601 A CA -0.405 51.519 52.037 -0.189 0.000 0.822 601 A CB 0.788 19.595 19.000 -0.323 0.000 1.130 601 A HN 0.512 nan 8.150 nan 0.000 0.496 602 L N 2.090 123.341 121.223 0.046 0.000 2.422 602 L HA 0.413 4.753 4.340 -0.001 0.000 0.264 602 L C -2.535 174.433 176.870 0.163 0.000 0.984 602 L CA -2.017 52.877 54.840 0.089 0.000 0.819 602 L CB 2.674 44.782 42.059 0.082 0.000 1.330 602 L HN 0.438 nan 8.230 nan 0.000 0.410 603 P HA 0.169 nan 4.420 nan 0.000 0.262 603 P C 0.679 178.102 177.300 0.204 0.000 1.199 603 P CA 0.679 63.883 63.100 0.175 0.000 0.763 603 P CB 0.722 32.500 31.700 0.130 0.000 0.790 604 G N 2.481 111.447 108.800 0.277 0.000 2.253 604 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.209 604 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.209 604 G C 0.223 175.362 174.900 0.397 0.000 0.997 604 G CA -0.530 44.803 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 0.697 177.216 176.300 0.365 0.000 1.239 605 M CA 0.214 55.726 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 1.204 121.300 119.914 0.303 0.000 2.962 606 V HA 0.949 5.069 4.120 -0.001 0.000 0.313 606 V C -1.534 174.742 176.094 0.303 0.000 1.099 606 V CA -0.653 61.711 62.300 0.106 0.000 0.971 606 V CB 1.861 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 1.507 122.767 121.300 -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 1.388 30.827 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 0.204 0.000 2.297 608 Q HA 0.456 4.796 4.340 -0.001 0.000 0.269 608 Q C -1.085 175.037 176.000 0.203 0.000 1.051 608 Q CA -0.319 55.525 55.803 0.069 0.000 0.869 608 Q CB 1.724 30.468 28.738 0.010 0.000 1.346 608 Q HN 0.379 nan 8.270 nan 0.000 0.457 609 D N 0.128 120.586 120.400 0.097 0.000 2.440 609 D HA 0.365 5.005 4.640 -0.001 0.000 0.258 609 D C -0.462 175.907 176.300 0.115 0.000 1.092 609 D CA -0.513 53.588 54.000 0.168 0.000 1.016 609 D CB 0.851 41.758 40.800 0.178 0.000 1.141 609 D HN 0.349 nan 8.370 nan 0.000 0.552 610 R N 0.564 121.155 120.500 0.151 0.000 2.679 610 R HA 0.076 4.415 4.340 -0.001 0.000 0.268 610 R C -0.131 176.260 176.300 0.152 0.000 1.044 610 R CA 0.070 56.260 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 0.449 120.903 120.400 0.090 0.000 2.371 611 D HA 0.171 4.811 4.640 -0.001 0.000 0.242 611 D C -0.640 175.497 176.300 -0.272 0.000 1.218 611 D CA -0.191 53.783 54.000 -0.043 0.000 0.945 611 D CB 0.937 41.599 40.800 -0.231 0.000 1.137 611 D HN 0.196 nan 8.370 nan 0.000 0.464 612 V N -0.414 119.227 119.914 -0.454 0.000 2.715 612 V HA 0.616 4.735 4.120 -0.001 0.000 0.310 612 V C -1.146 174.666 176.094 -0.471 0.000 1.054 612 V CA -0.727 61.341 62.300 -0.386 0.000 0.928 612 V CB 1.100 32.690 31.823 -0.387 0.000 1.007 612 V HN 0.456 nan 8.190 nan 0.000 0.437 613 Y N 2.337 122.704 120.300 0.113 0.000 2.509 613 Y HA 0.576 5.126 4.550 -0.001 0.000 0.341 613 Y C 0.814 176.473 175.900 -0.401 0.000 1.038 613 Y CA -0.908 57.196 58.100 0.008 0.000 1.089 613 Y CB 1.791 40.312 38.460 0.100 0.000 1.241 613 Y HN 0.627 nan 8.280 nan 0.000 0.468 614 L N 1.601 122.370 121.223 -0.757 0.000 2.151 614 L HA -0.253 4.087 4.340 -0.001 0.000 0.215 614 L C 1.722 178.338 176.870 -0.423 0.000 1.084 614 L CA 2.071 56.094 54.840 -1.362 0.000 0.764 614 L CB -0.394 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 -1.211 118.464 119.800 -0.208 0.000 2.175 615 Q HA 0.316 4.656 4.340 -0.001 0.000 0.225 615 Q C 0.591 176.603 176.000 0.021 0.000 0.837 615 Q CA 0.348 56.168 55.803 0.028 0.000 1.032 615 Q CB -0.326 28.347 28.738 -0.109 0.000 1.137 615 Q HN 0.376 nan 8.270 nan 0.000 0.483 616 G N 2.047 110.984 108.800 0.228 0.000 2.522 616 G HA2 0.516 4.476 3.960 -0.001 0.000 0.304 616 G HA3 0.516 4.476 3.960 -0.001 0.000 0.304 616 G C -2.776 172.347 174.900 0.371 0.000 1.210 616 G CA -1.407 43.977 45.100 0.473 0.000 0.960 616 G HN 0.076 nan 8.290 nan 0.000 0.497 617 P HA 0.226 nan 4.420 nan 0.000 0.272 617 P C 0.457 177.802 177.300 0.075 0.000 1.223 617 P CA -0.237 62.907 63.100 0.074 0.000 0.784 617 P CB 1.131 32.870 31.700 0.065 0.000 0.923 618 I N -0.514 119.937 120.570 -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 -0.083 0.000 1.447 618 I CB -0.381 37.561 38.000 -0.098 0.000 1.250 618 I HN 0.436 nan 8.210 nan 0.000 0.453 619 W N 1.056 122.509 121.300 0.256 0.000 3.207 619 W HA 0.823 5.483 4.660 -0.001 0.000 0.326 619 W C -1.183 175.468 176.519 0.220 0.000 1.190 619 W CA -1.201 56.323 57.345 0.298 0.000 1.011 619 W CB 0.817 30.476 29.460 0.332 0.000 1.511 619 W HN -0.035 nan 8.180 nan 0.000 0.606 620 A N 1.331 124.446 122.820 0.492 0.000 2.555 620 A HA 0.465 4.785 4.320 -0.001 0.000 0.297 620 A C -1.412 176.344 177.584 0.287 0.000 1.060 620 A CA -1.116 51.121 52.037 0.334 0.000 0.710 620 A CB 1.390 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 2.298 122.823 120.400 0.208 0.000 2.412 621 K HA 0.388 4.707 4.320 -0.001 0.000 0.281 621 K C -0.656 175.911 176.600 -0.055 0.000 1.027 621 K CA -0.046 56.185 56.287 -0.094 0.000 0.989 621 K CB 0.145 32.402 32.500 -0.405 0.000 0.935 621 K HN 0.578 nan 8.250 nan 0.000 0.475 622 I N 7.756 128.241 120.570 -0.142 0.000 2.379 622 I HA 0.115 4.284 4.170 -0.001 0.000 0.290 622 I C -1.860 174.177 176.117 -0.134 0.000 1.063 622 I CA -2.287 58.919 61.300 -0.157 0.000 1.351 622 I CB 0.938 38.765 38.000 -0.289 0.000 1.410 622 I HN 0.521 nan 8.210 nan 0.000 0.505 623 P HA -0.110 nan 4.420 nan 0.000 0.262 623 P C -0.516 176.859 177.300 0.124 0.000 1.182 623 P CA 0.181 63.320 63.100 0.064 0.000 0.761 623 P CB 0.193 31.955 31.700 0.103 0.000 0.795 624 H N 2.472 121.563 119.070 0.036 0.000 3.216 624 H HA 0.239 4.794 4.556 -0.001 0.000 0.263 624 H C 0.271 175.652 175.328 0.090 0.000 1.601 624 H CA 0.084 56.168 56.048 0.060 0.000 1.509 624 H CB -0.506 29.261 29.762 0.007 0.000 1.759 624 H HN 0.333 nan 8.280 nan 0.000 0.533 625 T N -0.460 114.109 114.554 0.025 0.000 2.905 625 T HA 0.151 4.501 4.350 -0.001 0.000 0.283 625 T C 0.930 175.489 174.700 -0.234 0.000 1.031 625 T CA -0.938 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 0.459 120.749 120.400 -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 40.520 40.800 -0.098 0.000 0.947 626 D HN 0.812 nan 8.370 nan 0.000 0.494 627 G N -0.720 107.831 108.800 -0.416 0.000 2.682 627 G HA2 0.536 4.495 3.960 -0.001 0.000 0.300 627 G HA3 0.536 4.495 3.960 -0.001 0.000 0.300 627 G C -1.107 173.448 174.900 -0.576 0.000 1.391 627 G CA -0.608 44.236 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 5.109 4.556 -0.001 0.000 0.356 628 H C -0.677 174.754 175.328 0.171 0.000 1.212 628 H CA -0.651 55.440 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 0.418 nan 8.280 nan 0.000 0.556 629 F N 0.101 120.154 119.950 0.172 0.000 2.376 629 F HA 0.174 4.701 4.527 -0.001 0.000 0.234 629 F C 0.509 176.452 175.800 0.240 0.000 1.010 629 F CA 0.375 58.475 58.000 0.167 0.000 1.100 629 F CB 0.437 39.511 39.000 0.123 0.000 1.360 629 F HN 0.474 nan 8.300 nan 0.000 0.649 630 H N 2.175 121.265 119.070 0.033 0.000 2.643 630 H HA 0.314 4.869 4.556 -0.001 0.000 0.259 630 H C -2.126 173.264 175.328 0.104 0.000 1.298 630 H CA -1.883 54.160 56.048 -0.009 0.000 1.301 630 H CB 0.765 30.635 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 -0.034 0.000 0.783 631 P CB -0.231 31.382 31.700 -0.146 0.000 1.490 632 S N 1.555 117.286 115.700 0.052 0.000 2.474 632 S HA 0.321 4.791 4.470 -0.001 0.000 0.276 632 S C -2.287 172.392 174.600 0.132 0.000 1.227 632 S CA -1.702 56.561 58.200 0.105 0.000 1.050 632 S CB -0.189 63.128 63.200 0.194 0.000 0.939 632 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 0.597 177.970 177.300 0.121 0.000 1.182 633 P CA 0.129 63.298 63.100 0.116 0.000 0.761 633 P CB 0.337 32.113 31.700 0.126 0.000 0.795 634 L N 2.248 123.537 121.223 0.110 0.000 2.201 634 L HA -0.092 4.247 4.340 -0.001 0.000 0.212 634 L C 2.018 178.958 176.870 0.115 0.000 1.105 634 L CA 1.364 56.271 54.840 0.111 0.000 0.775 634 L CB -0.473 41.638 42.059 0.087 0.000 0.913 634 L HN 0.472 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 0.119 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 -0.202 108.681 108.800 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 -0.274 174.685 174.900 0.098 0.000 1.256 636 G CA -0.574 44.601 45.100 0.125 0.000 0.826 636 G HN 0.777 nan 8.290 nan 0.000 0.619 637 G N -1.028 107.767 108.800 -0.009 0.000 2.428 637 G HA2 0.388 4.348 3.960 -0.001 0.000 0.202 637 G HA3 0.388 4.348 3.960 -0.001 0.000 0.202 637 G C -0.446 174.332 174.900 -0.204 0.000 1.247 637 G CA 0.055 45.090 45.100 -0.108 0.000 1.020 637 G HN 1.722 nan 8.290 nan 0.000 0.529 638 F N 1.828 121.936 119.950 0.263 0.000 2.411 638 F HA 0.586 5.113 4.527 -0.001 0.000 0.352 638 F C 1.100 177.037 175.800 0.228 0.000 1.123 638 F CA 0.169 58.305 58.000 0.226 0.000 1.044 638 F CB 2.066 41.211 39.000 0.242 0.000 1.135 638 F HN 0.734 nan 8.300 nan 0.000 0.461 639 G N 4.884 113.851 108.800 0.278 0.000 2.320 639 G HA2 0.610 4.570 3.960 -0.001 0.000 0.300 639 G HA3 0.610 4.570 3.960 -0.001 0.000 0.300 639 G C -1.015 173.956 174.900 0.119 0.000 1.126 639 G CA -0.516 44.686 45.100 0.170 0.000 0.896 639 G HN 0.570 nan 8.290 nan 0.000 0.436 640 L N 2.930 124.205 121.223 0.087 0.000 2.362 640 L HA 0.372 4.712 4.340 -0.001 0.000 0.275 640 L C 1.073 177.840 176.870 -0.171 0.000 0.998 640 L CA -1.115 53.725 54.840 0.001 0.000 0.820 640 L CB 2.333 44.419 42.059 0.046 0.000 1.270 640 L HN 0.434 nan 8.230 nan 0.000 0.415 641 K N 0.925 121.184 120.400 -0.235 0.000 2.057 641 K HA -0.031 4.289 4.320 -0.001 0.000 0.207 641 K C 0.281 176.382 176.600 -0.831 0.000 1.049 641 K CA 1.297 57.290 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 0.267 119.168 119.070 -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 -0.374 0.000 1.502 642 H CB 1.171 30.889 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 -2.599 174.441 177.300 -0.434 0.000 1.261 643 P CA -1.877 61.047 63.100 -0.293 0.000 0.800 643 P CB 0.025 31.563 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 -0.286 0.000 1.172 644 P CA -0.270 62.108 63.100 -1.203 0.000 0.762 644 P CB -1.123 29.908 31.700 -1.116 0.000 0.764 645 P HA 0.030 nan 4.420 nan 0.000 0.272 645 P C -0.485 176.734 177.300 -0.134 0.000 1.240 645 P CA -0.036 63.016 63.100 -0.080 0.000 0.791 645 P CB 0.717 32.271 31.700 -0.245 0.000 0.978 646 Q N 0.631 120.329 119.800 -0.170 0.000 2.286 646 Q HA 0.331 4.671 4.340 -0.001 0.000 0.257 646 Q C -0.453 175.239 176.000 -0.515 0.000 0.941 646 Q CA -0.283 55.326 55.803 -0.323 0.000 0.912 646 Q CB 0.216 28.710 28.738 -0.406 0.000 1.192 646 Q HN 0.329 nan 8.270 nan 0.000 0.410 647 I N 3.035 123.336 120.570 -0.448 0.000 2.337 647 I HA 0.184 4.354 4.170 -0.001 0.000 0.285 647 I C -0.508 175.377 176.117 -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 38.260 38.000 -0.596 0.000 1.370 647 I HN 0.478 nan 8.210 nan 0.000 0.470 648 M N 6.589 125.763 119.600 -0.710 0.000 2.274 648 M HA 0.551 5.031 4.480 -0.001 0.000 0.344 648 M C -0.647 175.636 176.300 -0.028 0.000 1.161 648 M CA -0.248 54.770 55.300 -0.469 0.000 1.126 648 M CB 1.204 33.172 32.600 -1.052 0.000 1.522 648 M HN 0.509 nan 8.290 nan 0.000 0.461 649 I N 3.109 123.829 120.570 0.250 0.000 2.722 649 I HA 0.682 4.852 4.170 -0.001 0.000 0.292 649 I C -1.833 174.283 176.117 -0.001 0.000 1.267 649 I CA -0.293 61.086 61.300 0.132 0.000 1.036 649 I CB 1.636 39.625 38.000 -0.019 0.000 1.281 649 I HN 0.679 nan 8.210 nan 0.000 0.423 650 K N 3.967 124.219 120.400 -0.246 0.000 2.578 650 K HA 0.558 4.877 4.320 -0.001 0.000 0.269 650 K C -1.905 174.520 176.600 -0.292 0.000 0.941 650 K CA -0.666 55.372 56.287 -0.415 0.000 0.847 650 K CB 0.704 32.580 32.500 -1.039 0.000 1.397 650 K HN 0.347 nan 8.250 nan 0.000 0.422 651 N N 1.305 119.908 118.700 -0.161 0.000 2.475 651 N HA 0.154 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 -0.212 52.788 53.050 -0.085 0.000 0.947 651 N CB 0.913 39.401 38.487 0.001 0.000 1.061 651 N HN 0.683 nan 8.380 nan 0.000 0.466 652 T N 3.657 118.128 114.554 -0.139 0.000 2.888 652 T HA 0.147 4.496 4.350 -0.001 0.000 0.301 652 T C -2.178 172.361 174.700 -0.269 0.000 1.001 652 T CA -0.698 61.292 62.100 -0.184 0.000 1.147 652 T CB 0.295 69.101 68.868 -0.103 0.000 0.931 652 T HN 0.266 nan 8.240 nan 0.000 0.541 653 P HA 0.152 nan 4.420 nan 0.000 0.263 653 P C -0.919 176.206 177.300 -0.291 0.000 1.195 653 P CA -0.131 62.465 63.100 -0.840 0.000 0.762 653 P CB 0.344 31.435 31.700 -1.015 0.000 0.799 654 V N 7.065 126.928 119.914 -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 60.251 62.300 0.084 0.000 0.814 654 V CB 1.350 33.208 31.823 0.058 0.000 1.021 654 V HN 0.460 nan 8.190 nan 0.000 0.440 655 P HA 0.211 nan 4.420 nan 0.000 0.266 655 P C 0.002 177.361 177.300 0.098 0.000 1.195 655 P CA 0.414 63.513 63.100 -0.001 0.000 0.768 655 P CB 0.774 32.170 31.700 -0.505 0.000 0.838 656 A N 3.108 126.033 122.820 0.174 0.000 2.450 656 A HA 0.251 4.571 4.320 -0.001 0.000 0.281 656 A C 0.103 177.784 177.584 0.162 0.000 1.372 656 A CA -0.668 51.456 52.037 0.145 0.000 0.886 656 A CB -0.333 18.736 19.000 0.116 0.000 1.462 656 A HN 0.591 nan 8.150 nan 0.000 0.514 657 N N 1.064 119.825 118.700 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 0.333 nan 8.380 nan 0.000 0.487 658 P HA 0.345 nan 4.420 nan 0.000 0.287 658 P C -2.539 174.797 177.300 0.060 0.000 1.270 658 P CA -1.310 61.877 63.100 0.145 0.000 0.844 658 P CB 0.411 32.249 31.700 0.229 0.000 1.068 659 P HA 0.179 nan 4.420 nan 0.000 0.275 659 P C 0.609 177.935 177.300 0.043 0.000 1.227 659 P CA -0.056 63.048 63.100 0.007 0.000 0.781 659 P CB 0.213 31.893 31.700 -0.033 0.000 0.906 660 T N -0.668 113.908 114.554 0.036 0.000 2.977 660 T HA -0.057 4.293 4.350 -0.001 0.000 0.271 660 T C 0.955 175.692 174.700 0.063 0.000 1.105 660 T CA 1.309 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 0.979 115.566 114.554 0.056 0.000 2.902 661 T HA 0.475 4.824 4.350 -0.001 0.000 0.283 661 T C -0.908 173.861 174.700 0.115 0.000 1.009 661 T CA -0.970 61.177 62.100 0.078 0.000 1.051 661 T CB 0.301 69.193 68.868 0.040 0.000 0.999 661 T HN 0.138 nan 8.240 nan 0.000 0.474 662 F N 4.623 124.580 119.950 0.011 0.000 2.506 662 F HA 0.490 5.016 4.527 -0.001 0.000 0.371 662 F C 0.298 176.104 175.800 0.010 0.000 1.078 662 F CA -0.319 57.692 58.000 0.018 0.000 1.195 662 F CB 0.355 39.368 39.000 0.022 0.000 1.099 662 F HN 0.399 nan 8.300 nan 0.000 0.548 663 S N 7.580 122.891 115.700 -0.649 0.000 2.498 663 S HA 0.503 4.973 4.470 -0.001 0.000 0.317 663 S C -1.684 172.409 174.600 -0.844 0.000 1.090 663 S CA -1.369 56.441 58.200 -0.650 0.000 1.089 663 S CB 1.286 64.293 63.200 -0.322 0.000 0.997 663 S HN 0.559 nan 8.310 nan 0.000 0.470 664 P HA 0.187 nan 4.420 nan 0.000 0.222 664 P C 0.292 177.492 177.300 -0.166 0.000 1.153 664 P CA 0.255 63.115 63.100 -0.401 0.000 0.798 664 P CB -0.109 31.465 31.700 -0.211 0.000 0.796 665 A N 0.872 123.586 122.820 -0.175 0.000 2.586 665 A HA -0.065 4.255 4.320 -0.001 0.000 0.231 665 A C 0.619 178.172 177.584 -0.051 0.000 1.055 665 A CA -0.026 51.951 52.037 -0.101 0.000 0.756 665 A CB -0.417 18.507 19.000 -0.126 0.000 0.988 665 A HN 0.091 nan 8.150 nan 0.000 0.509 666 K N 0.840 121.241 120.400 0.003 0.000 2.524 666 K HA 0.012 4.332 4.320 -0.001 0.000 0.279 666 K C -0.730 175.903 176.600 0.056 0.000 0.993 666 K CA 0.256 56.587 56.287 0.073 0.000 1.030 666 K CB 0.041 32.595 32.500 0.091 0.000 0.891 666 K HN 0.485 nan 8.250 nan 0.000 0.488 667 F N 3.019 122.973 119.950 0.007 0.000 2.467 667 F HA 0.216 4.742 4.527 -0.001 0.000 0.362 667 F C 0.705 176.431 175.800 -0.124 0.000 1.090 667 F CA 0.605 58.549 58.000 -0.093 0.000 1.202 667 F CB 1.180 40.117 39.000 -0.104 0.000 1.113 667 F HN 0.667 nan 8.300 nan 0.000 0.541 668 A N 3.033 125.721 122.820 -0.221 0.000 2.474 668 A HA 0.156 4.475 4.320 -0.001 0.000 0.221 668 A C 0.511 177.981 177.584 -0.190 0.000 1.298 668 A CA 0.081 52.079 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 0.720 116.179 115.700 -0.402 0.000 2.411 669 S HA 0.640 5.109 4.470 -0.001 0.000 0.304 669 S C -0.975 173.511 174.600 -0.190 0.000 1.098 669 S CA -0.251 57.821 58.200 -0.213 0.000 1.068 669 S CB -0.618 62.451 63.200 -0.219 0.000 1.032 669 S HN 0.201 nan 8.310 nan 0.000 0.511 670 F N 3.366 123.453 119.950 0.228 0.000 2.579 670 F HA 0.554 5.081 4.527 -0.001 0.000 0.324 670 F C 0.417 176.306 175.800 0.148 0.000 1.058 670 F CA -1.194 56.931 58.000 0.209 0.000 0.944 670 F CB 1.308 40.462 39.000 0.256 0.000 1.245 670 F HN 0.296 nan 8.300 nan 0.000 0.477 671 I N 1.793 122.569 120.570 0.343 0.000 2.416 671 I HA 0.117 4.287 4.170 -0.001 0.000 0.288 671 I C 0.290 176.529 176.117 0.203 0.000 1.051 671 I CA -0.390 61.035 61.300 0.209 0.000 1.375 671 I CB 0.922 39.011 38.000 0.148 0.000 1.407 671 I HN 0.593 nan 8.210 nan 0.000 0.516 672 T N 4.397 119.041 114.554 0.149 0.000 2.834 672 T HA 0.407 4.756 4.350 -0.001 0.000 0.298 672 T C -0.367 174.399 174.700 0.111 0.000 0.966 672 T CA -0.602 61.567 62.100 0.114 0.000 1.141 672 T CB 0.911 69.823 68.868 0.074 0.000 0.905 672 T HN 0.745 nan 8.240 nan 0.000 0.535 673 Q N 2.050 121.917 119.800 0.112 0.000 2.527 673 Q HA 0.540 4.880 4.340 -0.001 0.000 0.280 673 Q C -1.709 174.381 176.000 0.150 0.000 0.977 673 Q CA -1.346 54.531 55.803 0.124 0.000 0.837 673 Q CB 1.235 30.004 28.738 0.052 0.000 1.454 673 Q HN 0.868 nan 8.270 nan 0.000 0.387 674 Y N -1.021 119.259 120.300 -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 1.978 40.395 38.460 -0.071 0.000 1.296 674 Y HN 0.871 nan 8.280 nan 0.000 0.494 675 S N 0.341 116.022 115.700 -0.031 0.000 2.599 675 S HA 0.814 5.283 4.470 -0.001 0.000 0.294 675 S C -0.874 173.667 174.600 -0.097 0.000 1.094 675 S CA -0.451 57.692 58.200 -0.095 0.000 0.931 675 S CB 1.853 65.132 63.200 0.131 0.000 1.093 675 S HN 1.113 nan 8.310 nan 0.000 0.488 676 T N -0.316 113.994 114.554 -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 0.237 61.832 62.100 -0.841 0.000 1.036 676 T CB 1.031 69.640 68.868 -0.432 0.000 1.209 676 T HN 1.687 nan 8.240 nan 0.000 0.484 677 G N 2.124 109.772 108.800 -1.920 0.000 2.489 677 G HA2 0.551 4.511 3.960 -0.001 0.000 0.305 677 G HA3 0.551 4.511 3.960 -0.001 0.000 0.305 677 G C -1.988 172.222 174.900 -1.149 0.000 1.311 677 G CA -0.667 43.730 45.100 -1.172 0.000 0.813 677 G HN 0.746 nan 8.290 nan 0.000 0.480 678 Q N -1.269 118.189 119.800 -0.569 0.000 2.215 678 Q HA 0.733 5.072 4.340 -0.001 0.000 0.256 678 Q C -0.586 175.220 176.000 -0.324 0.000 0.972 678 Q CA -0.706 54.812 55.803 -0.475 0.000 0.889 678 Q CB 2.397 30.731 28.738 -0.674 0.000 1.281 678 Q HN 0.786 nan 8.270 nan 0.000 0.456 679 V N 0.298 120.152 119.914 -0.101 0.000 2.709 679 V HA 0.799 4.919 4.120 -0.001 0.000 0.308 679 V C -1.411 174.591 176.094 -0.153 0.000 1.062 679 V CA -0.291 61.911 62.300 -0.163 0.000 0.901 679 V CB 2.267 34.099 31.823 0.015 0.000 1.003 679 V HN 0.696 nan 8.190 nan 0.000 0.425 680 S N 4.144 119.758 115.700 -0.142 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 -0.223 0.000 1.092 680 S CA -0.469 57.676 58.200 -0.092 0.000 0.980 680 S CB 1.710 64.972 63.200 0.104 0.000 1.048 680 S HN 0.853 nan 8.310 nan 0.000 0.483 681 V N 4.372 124.187 119.914 -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 1.589 33.210 31.823 -0.336 0.000 1.004 681 V HN 0.897 nan 8.190 nan 0.000 0.426 682 E N 5.348 125.501 120.200 -0.080 0.000 2.145 682 E HA 0.664 5.013 4.350 -0.001 0.000 0.270 682 E C -1.455 175.092 176.600 -0.087 0.000 0.906 682 E CA -0.508 55.848 56.400 -0.074 0.000 0.761 682 E CB 1.460 31.097 29.700 -0.104 0.000 1.116 682 E HN 0.659 nan 8.360 nan 0.000 0.408 683 I N 3.395 123.902 120.570 -0.104 0.000 2.509 683 I HA 0.284 4.454 4.170 -0.001 0.000 0.293 683 I C -0.237 175.671 176.117 -0.347 0.000 1.020 683 I CA -0.818 60.320 61.300 -0.270 0.000 1.088 683 I CB 2.081 39.809 38.000 -0.454 0.000 1.267 683 I HN 0.538 nan 8.210 nan 0.000 0.430 684 E N 5.386 125.331 120.200 -0.424 0.000 2.175 684 E HA 0.353 4.703 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 -0.292 0.000 0.796 684 E CB 1.202 30.800 29.700 -0.169 0.000 1.104 684 E HN 0.393 nan 8.360 nan 0.000 0.395 685 W N 2.880 124.136 121.300 -0.073 0.000 2.587 685 W HA 0.305 4.965 4.660 -0.001 0.000 0.324 685 W C -0.092 176.465 176.519 0.063 0.000 1.040 685 W CA -0.756 56.593 57.345 0.006 0.000 1.222 685 W CB 1.206 30.727 29.460 0.101 0.000 1.381 685 W HN 0.462 nan 8.180 nan 0.000 0.483 686 E N 3.349 123.729 120.200 0.301 0.000 2.227 686 E HA 0.463 4.813 4.350 -0.001 0.000 0.282 686 E C -0.987 175.960 176.600 0.578 0.000 1.015 686 E CA -0.399 56.202 56.400 0.336 0.000 0.823 686 E CB 0.772 30.610 29.700 0.230 0.000 1.081 686 E HN 0.458 nan 8.360 nan 0.000 0.396 687 L N 3.677 125.177 121.223 0.463 0.000 2.325 687 L HA 0.361 4.701 4.340 -0.001 0.000 0.278 687 L C -0.062 176.919 176.870 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 3.214 122.989 119.800 -0.042 0.000 2.368 688 Q HA 0.227 4.566 4.340 -0.001 0.000 0.256 688 Q C -0.820 175.110 176.000 -0.117 0.000 0.980 688 Q CA -0.781 54.823 55.803 -0.333 0.000 0.887 688 Q CB 1.119 29.418 28.738 -0.731 0.000 1.221 688 Q HN 0.341 nan 8.270 nan 0.000 0.458 689 K N 2.331 122.638 120.400 -0.156 0.000 2.258 689 K HA 0.065 4.385 4.320 -0.001 0.000 0.264 689 K C -0.160 176.145 176.600 -0.492 0.000 1.007 689 K CA -0.088 56.069 56.287 -0.217 0.000 0.941 689 K CB 0.928 33.322 32.500 -0.176 0.000 0.966 689 K HN 0.674 nan 8.250 nan 0.000 0.480 690 E N 2.219 122.036 120.200 -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 -1.004 0.000 1.029 690 E CA -0.005 55.606 56.400 -1.314 0.000 0.871 690 E CB 0.447 29.573 29.700 -0.956 0.000 1.022 690 E HN 0.412 nan 8.360 nan 0.000 0.418 691 N N 2.984 120.982 118.700 -1.170 0.000 2.750 691 N HA 0.100 4.839 4.740 -0.001 0.000 0.253 691 N C -1.921 173.469 175.510 -0.200 0.000 1.408 691 N CA -0.282 52.483 53.050 -0.476 0.000 0.780 691 N CB 0.961 39.276 38.487 -0.286 0.000 1.191 691 N HN 0.203 nan 8.380 nan 0.000 0.511 692 S N 1.031 116.639 115.700 -0.153 0.000 2.503 692 S HA 0.462 4.931 4.470 -0.001 0.000 0.301 692 S C 0.176 174.804 174.600 0.048 0.000 1.087 692 S CA -0.591 57.658 58.200 0.080 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 0.150 4.470 4.320 -0.001 0.000 0.206 693 K C 0.267 176.950 176.600 0.137 0.000 1.025 693 K CA -0.249 56.095 56.287 0.095 0.000 1.135 693 K CB -0.065 32.490 32.500 0.092 0.000 0.856 693 K HN 0.548 nan 8.250 nan 0.000 0.502 694 R N 0.986 121.567 120.500 0.135 0.000 2.502 694 R HA -0.109 4.230 4.340 -0.001 0.000 0.292 694 R C 1.070 177.471 176.300 0.168 0.000 0.998 694 R CA 0.246 56.438 56.100 0.154 0.000 1.056 694 R CB 0.039 30.421 30.300 0.138 0.000 0.939 694 R HN 0.287 nan 8.270 nan 0.000 0.411 695 W N 5.812 127.130 121.300 0.031 0.000 2.441 695 W HA -0.076 4.583 4.660 -0.001 0.000 0.302 695 W C -0.255 176.277 176.519 0.022 0.000 1.191 695 W CA 0.951 58.309 57.345 0.021 0.000 1.327 695 W CB -0.114 29.357 29.460 0.018 0.000 1.128 695 W HN 0.748 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 0.146 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 0.083 0.000 0.959 696 N CB -0.393 38.190 38.487 0.160 0.000 1.142 696 N HN -0.133 nan 8.380 nan 0.000 0.455 697 P HA 0.059 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 0.549 32.241 31.700 -0.014 0.000 0.855 698 E N 1.216 121.445 120.200 0.050 0.000 2.254 698 E HA 0.381 4.730 4.350 -0.001 0.000 0.261 698 E C 0.236 176.892 176.600 0.094 0.000 1.051 698 E CA -1.054 55.396 56.400 0.084 0.000 0.902 698 E CB 0.919 30.690 29.700 0.117 0.000 1.168 698 E HN 0.441 nan 8.360 nan 0.000 0.423 699 I N -0.954 119.684 120.570 0.113 0.000 2.529 699 I HA 0.155 4.324 4.170 -0.001 0.000 0.284 699 I C -0.348 175.927 176.117 0.264 0.000 1.082 699 I CA -0.364 61.021 61.300 0.143 0.000 1.406 699 I CB 0.536 38.592 38.000 0.095 0.000 1.405 699 I HN 0.181 nan 8.210 nan 0.000 0.548 700 Q N 4.872 124.831 119.800 0.265 0.000 2.387 700 Q HA 0.307 4.646 4.340 -0.001 0.000 0.273 700 Q C -1.344 174.842 176.000 0.309 0.000 1.089 700 Q CA -0.807 55.158 55.803 0.270 0.000 0.824 700 Q CB 2.670 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 0.829 121.082 120.300 -0.078 0.000 2.346 701 Y HA 0.302 4.851 4.550 -0.001 0.000 0.330 701 Y C -0.118 175.786 175.900 0.006 0.000 1.178 701 Y CA 0.845 58.903 58.100 -0.070 0.000 1.331 701 Y CB 0.973 39.170 38.460 -0.438 0.000 1.253 701 Y HN 0.620 nan 8.280 nan 0.000 0.529 702 T N 3.605 117.794 114.554 -0.609 0.000 2.840 702 T HA 0.444 4.793 4.350 -0.001 0.000 0.317 702 T C -1.224 173.236 174.700 -0.400 0.000 1.401 702 T CA -0.746 61.178 62.100 -0.294 0.000 1.028 702 T CB 0.844 69.659 68.868 -0.088 0.000 1.317 702 T HN 0.625 nan 8.240 nan 0.000 0.495 703 S N 1.859 117.506 115.700 -0.088 0.000 2.632 703 S HA 0.407 4.877 4.470 -0.001 0.000 0.271 703 S C 0.054 174.674 174.600 0.033 0.000 1.260 703 S CA -0.699 57.502 58.200 0.002 0.000 1.010 703 S CB 0.282 63.549 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 0.608 176.129 175.510 0.018 0.000 1.195 704 N CA -0.155 52.902 53.050 0.011 0.000 0.943 704 N CB 0.183 38.636 38.487 -0.056 0.000 1.115 704 N HN 0.738 nan 8.380 nan 0.000 0.481 705 Y N 1.011 121.311 120.300 -0.000 0.000 2.574 705 Y HA 0.050 4.600 4.550 -0.001 0.000 0.294 705 Y C 0.062 175.966 175.900 0.007 0.000 1.142 705 Y CA -0.408 57.696 58.100 0.006 0.000 1.314 705 Y CB -0.236 38.226 38.460 0.003 0.000 0.991 705 Y HN 0.314 nan 8.280 nan 0.000 0.555 706 N N 2.825 121.156 118.700 -0.615 0.000 2.441 706 N HA -0.064 4.675 4.740 -0.001 0.000 0.251 706 N C -0.365 175.026 175.510 -0.200 0.000 1.242 706 N CA 0.001 52.748 53.050 -0.504 0.000 0.898 706 N CB 0.557 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 0.874 121.191 120.400 -0.139 0.000 2.437 707 K HA -0.036 4.284 4.320 -0.001 0.000 0.277 707 K C -0.222 176.338 176.600 -0.067 0.000 1.073 707 K CA 0.421 56.667 56.287 -0.069 0.000 1.105 707 K CB 0.169 32.640 32.500 -0.048 0.000 0.881 707 K HN 0.442 nan 8.250 nan 0.000 0.475 708 S N 2.746 118.418 115.700 -0.046 0.000 2.634 708 S HA 0.352 4.821 4.470 -0.001 0.000 0.296 708 S C 0.859 175.441 174.600 -0.030 0.000 1.104 708 S CA -1.044 57.131 58.200 -0.042 0.000 0.920 708 S CB 1.570 64.746 63.200 -0.039 0.000 1.111 708 S HN 0.359 nan 8.310 nan 0.000 0.493 709 V N 2.704 122.599 119.914 -0.033 0.000 2.238 709 V HA 0.023 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 1.385 63.667 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 0.825 nan 8.190 nan 0.000 0.457 710 N N -0.747 117.932 118.700 -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 2.061 40.514 38.487 -0.056 0.000 1.193 710 N HN 0.079 nan 8.380 nan 0.000 0.500 711 V N 1.393 121.306 119.914 -0.003 0.000 2.583 711 V HA 0.041 4.161 4.120 -0.001 0.000 0.287 711 V C -0.071 176.040 176.094 0.028 0.000 1.051 711 V CA -0.399 61.920 62.300 0.030 0.000 1.010 711 V CB 0.828 32.689 31.823 0.062 0.000 0.988 711 V HN 0.610 nan 8.190 nan 0.000 0.478 712 D N 4.251 124.691 120.400 0.067 0.000 2.493 712 D HA 0.183 4.823 4.640 -0.001 0.000 0.240 712 D C 0.108 176.542 176.300 0.223 0.000 1.142 712 D CA 0.597 54.639 54.000 0.069 0.000 0.872 712 D CB -0.052 40.874 40.800 0.211 0.000 1.173 712 D HN 0.476 nan 8.370 nan 0.000 0.467 713 F N -0.149 119.763 119.950 -0.064 0.000 2.781 713 F HA -0.263 4.264 4.527 -0.001 0.000 0.350 713 F C 0.321 176.148 175.800 0.045 0.000 1.048 713 F CA 0.343 58.288 58.000 -0.093 0.000 1.134 713 F CB -1.764 37.298 39.000 0.103 0.000 1.440 713 F HN 0.163 nan 8.300 nan 0.000 0.799 714 T N -0.836 113.682 114.554 -0.060 0.000 2.792 714 T HA 0.687 5.037 4.350 -0.001 0.000 0.303 714 T C -0.180 174.471 174.700 -0.081 0.000 1.310 714 T CA -0.427 61.715 62.100 0.070 0.000 1.007 714 T CB 2.146 71.050 68.868 0.059 0.000 1.335 714 T HN 0.363 nan 8.240 nan 0.000 0.504 715 V N 0.383 120.254 119.914 -0.071 0.000 2.953 715 V HA 0.706 4.825 4.120 -0.001 0.000 0.304 715 V C 0.036 176.082 176.094 -0.080 0.000 1.073 715 V CA -0.632 61.592 62.300 -0.127 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 0.994 121.348 120.400 -0.077 0.000 2.589 716 D HA 0.293 4.933 4.640 -0.001 0.000 0.268 716 D C 1.421 177.699 176.300 -0.036 0.000 1.182 716 D CA 0.255 54.221 54.000 -0.057 0.000 1.087 716 D CB -0.006 40.754 40.800 -0.067 0.000 1.186 716 D HN 0.671 nan 8.370 nan 0.000 0.620 717 T N -2.141 112.395 114.554 -0.030 0.000 2.737 717 T HA -0.244 4.106 4.350 -0.001 0.000 0.269 717 T C 0.828 175.519 174.700 -0.015 0.000 1.040 717 T CA 1.670 63.759 62.100 -0.019 0.000 1.142 717 T CB -0.978 67.879 68.868 -0.019 0.000 0.861 717 T HN 0.605 nan 8.240 nan 0.000 0.456 718 N N 0.863 119.551 118.700 -0.019 0.000 2.380 718 N HA 0.440 5.180 4.740 -0.001 0.000 0.255 718 N C 0.689 176.192 175.510 -0.013 0.000 1.158 718 N CA -0.084 52.959 53.050 -0.013 0.000 0.878 718 N CB 0.081 38.561 38.487 -0.013 0.000 1.138 718 N HN 0.578 nan 8.380 nan 0.000 0.509 719 G N 0.019 108.807 108.800 -0.019 0.000 2.381 719 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.281 719 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.281 719 G C -0.761 174.122 174.900 -0.028 0.000 0.984 719 G CA 0.133 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 2.850 122.732 119.914 -0.054 0.000 2.532 720 V HA 0.367 4.486 4.120 -0.001 0.000 0.294 720 V C -0.042 176.002 176.094 -0.083 0.000 1.036 720 V CA -1.329 60.943 62.300 -0.047 0.000 0.876 720 V CB 1.520 33.320 31.823 -0.040 0.000 1.012 720 V HN 0.609 nan 8.190 nan 0.000 0.432 721 Y N 4.514 124.671 120.300 -0.238 0.000 2.511 721 Y HA 0.493 5.043 4.550 -0.001 0.000 0.332 721 Y C 0.684 176.485 175.900 -0.165 0.000 1.177 721 Y CA 0.305 58.228 58.100 -0.294 0.000 1.422 721 Y CB 1.062 39.281 38.460 -0.401 0.000 1.271 721 Y HN 0.734 nan 8.280 nan 0.000 0.550 722 S N 4.394 119.584 115.700 -0.850 0.000 2.572 722 S HA 0.441 4.911 4.470 -0.001 0.000 0.274 722 S C -1.601 172.498 174.600 -0.834 0.000 1.150 722 S CA -1.189 56.627 58.200 -0.640 0.000 0.944 722 S CB 1.370 64.344 63.200 -0.376 0.000 1.071 722 S HN 0.683 nan 8.310 nan 0.000 0.479 723 E N 2.998 122.812 120.200 -0.643 0.000 2.130 723 E HA 0.255 4.604 4.350 -0.001 0.000 0.284 723 E C -1.906 174.290 176.600 -0.675 0.000 1.018 723 E CA -2.087 53.871 56.400 -0.736 0.000 0.817 723 E CB 0.733 30.280 29.700 -0.255 0.000 1.078 723 E HN 0.369 nan 8.360 nan 0.000 0.396 724 P HA -0.168 nan 4.420 nan 0.000 0.214 724 P C -0.011 177.125 177.300 -0.275 0.000 1.162 724 P CA 1.320 64.120 63.100 -0.501 0.000 0.879 724 P CB 0.227 31.634 31.700 -0.490 0.000 0.786 725 R N -2.017 118.365 120.500 -0.198 0.000 2.808 725 R HA 0.589 4.928 4.340 -0.001 0.000 0.272 725 R C -3.217 173.133 176.300 0.083 0.000 0.995 725 R CA -2.369 53.735 56.100 0.006 0.000 0.917 725 R CB 0.430 30.799 30.300 0.114 0.000 1.217 725 R HN -0.230 nan 8.270 nan 0.000 0.471 726 P HA 0.170 nan 4.420 nan 0.000 0.271 726 P C -0.596 176.833 177.300 0.214 0.000 1.216 726 P CA -0.258 62.868 63.100 0.044 0.000 0.771 726 P CB 0.482 32.177 31.700 -0.009 0.000 0.864 727 I N 2.688 123.406 120.570 0.247 0.000 2.339 727 I HA 0.310 4.479 4.170 -0.001 0.000 0.290 727 I C 1.272 177.746 176.117 0.596 0.000 0.994 727 I CA -0.265 61.242 61.300 0.345 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 3.628 112.813 108.800 0.641 0.000 2.468 728 G HA2 0.243 4.203 3.960 -0.001 0.000 0.264 728 G HA3 0.243 4.203 3.960 -0.001 0.000 0.264 728 G C 0.511 175.638 174.900 0.378 0.000 1.460 728 G CA 0.303 45.684 45.100 0.468 0.000 1.060 728 G HN 0.572 nan 8.290 nan 0.000 0.543 729 T N -1.615 113.092 114.554 0.255 0.000 3.073 729 T HA 0.170 4.520 4.350 -0.001 0.000 0.264 729 T C 0.797 175.636 174.700 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 1.289 121.915 120.500 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 0.215 120.541 120.300 0.044 0.000 2.559 731 Y HA 0.182 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 0.018 58.162 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 0.840 122.228 121.223 0.274 0.000 2.439 732 L HA 0.320 4.660 4.340 -0.001 0.000 0.261 732 L C 0.443 177.388 176.870 0.125 0.000 1.153 732 L CA -0.399 54.612 54.840 0.286 0.000 0.808 732 L CB 0.919 43.301 42.059 0.538 0.000 1.126 732 L HN 0.081 nan 8.230 nan 0.000 0.460 733 T N -0.031 114.590 114.554 0.112 0.000 2.829 733 T HA 0.553 4.903 4.350 -0.001 0.000 0.280 733 T C -0.513 174.069 174.700 -0.196 0.000 0.999 733 T CA -0.898 61.182 62.100 -0.032 0.000 0.983 733 T CB 2.210 71.106 68.868 0.048 0.000 0.968 733 T HN 0.643 nan 8.240 nan 0.000 0.446 734 R N 2.075 122.376 120.500 -0.330 0.000 2.854 734 R HA 0.511 4.850 4.340 -0.001 0.000 0.271 734 R C -0.883 175.371 176.300 -0.077 0.000 0.994 734 R CA -0.700 55.160 56.100 -0.401 0.000 0.945 734 R CB 1.397 31.072 30.300 -1.041 0.000 1.194 734 R HN 0.761 nan 8.270 nan 0.000 0.476 735 N N 1.033 119.725 118.700 -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 0.574 39.089 38.487 0.047 0.000 1.197 735 N HN 0.364 nan 8.380 nan 0.000 0.504 736 L N 0.000 121.254 121.223 0.052 0.000 2.949 736 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 736 L CA 0.000 54.794 54.840 -0.077 0.000 0.813 736 L CB 0.000 41.948 42.059 -0.185 0.000 0.961 736 L HN 0.000 nan 8.230 nan 0.000 0.502