REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3kie_1_R DATA FIRST_RESID 217 DATA SEQUENCE GADGVGNSSG NWHCDSQWLG DRVITTSTRT WALPTYNNHL YKQISSQSGA DATA SEQUENCE SNDNHYFGYS TPWGYFDFNR FHCHFSPRDW QRLINNNWGF RPKKLSFKLF DATA SEQUENCE NIQVKEVTQN DGTTTIANNL TSTVQVFTDS EYQLPYVLGS AHQGCLPPFP DATA SEQUENCE ADVFMVPQYG YLTLNNGSQA VGRSSFYCLE YFPSQMLRTG NNFQFSYTFE DATA SEQUENCE DVPFHSSYAH SQSLDRLMNP LIDQYLYYLN RTQGTTSGTT NQSRLLFSQA DATA SEQUENCE GPQSMSLQAR NWLPGPCYRQ QRLSKTANDN NNSNFPWTAA SKYHLNGRDS DATA SEQUENCE LVNPGPAMAS HKDDEEKFFP MHGNLIFGKE GTTASNAELD NVMITDEEEI DATA SEQUENCE RTTNPVATEQ YGTVANNLQS SNTAPTTRTV NDQGALPGMV WQDRDVYLQG DATA SEQUENCE PIWAKIPHTD GHFHPSPLMG GFGLKHPPPQ IMIKNTPVPA NPPTTFSPAK DATA SEQUENCE FASFITQYST GQVSVEIEWE LQKENSKRWN PEIQYTSNYN KSVNVDFTVD DATA SEQUENCE TNGVYSEPRP IGTRYLTRNL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 217 G HA2 0.000 nan 3.960 nan 0.000 0.244 217 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 217 G C 0.000 174.924 174.900 0.040 0.000 0.946 217 G CA 0.000 45.114 45.100 0.023 0.000 0.502 218 A N 1.707 124.546 122.820 0.033 0.000 2.476 218 A HA 0.808 5.127 4.320 -0.001 0.000 0.280 218 A C -1.072 176.531 177.584 0.032 0.000 1.081 218 A CA -0.539 51.520 52.037 0.038 0.000 0.753 218 A CB 1.563 20.582 19.000 0.032 0.000 1.248 218 A HN 0.515 nan 8.150 nan 0.000 0.424 219 D N 0.550 120.973 120.400 0.038 0.000 2.989 219 D HA 0.694 5.333 4.640 -0.001 0.000 0.284 219 D C 0.674 176.994 176.300 0.034 0.000 1.212 219 D CA 0.279 54.299 54.000 0.033 0.000 1.055 219 D CB 1.317 42.136 40.800 0.033 0.000 1.351 219 D HN 0.676 nan 8.370 nan 0.000 0.611 220 G N -0.706 108.112 108.800 0.031 0.000 2.828 220 G HA2 0.456 4.416 3.960 -0.001 0.000 0.244 220 G HA3 0.456 4.416 3.960 -0.001 0.000 0.244 220 G C 0.813 175.731 174.900 0.030 0.000 1.365 220 G CA -0.217 44.899 45.100 0.028 0.000 1.041 220 G HN 0.203 nan 8.290 nan 0.000 0.560 221 V N 0.472 120.400 119.914 0.023 0.000 2.273 221 V HA 0.109 4.229 4.120 -0.001 0.000 0.242 221 V C 2.375 178.480 176.094 0.020 0.000 1.035 221 V CA 1.856 64.168 62.300 0.021 0.000 1.013 221 V CB -0.663 31.168 31.823 0.014 0.000 0.652 221 V HN 0.731 nan 8.190 nan 0.000 0.452 222 G N 1.186 109.996 108.800 0.017 0.000 3.709 222 G HA2 0.235 4.194 3.960 -0.001 0.000 0.272 222 G HA3 0.235 4.194 3.960 -0.001 0.000 0.272 222 G C -0.122 174.790 174.900 0.020 0.000 1.259 222 G CA 0.010 45.120 45.100 0.015 0.000 1.512 222 G HN 0.426 nan 8.290 nan 0.000 0.625 223 N N 0.147 118.864 118.700 0.027 0.000 2.571 223 N HA 0.215 4.955 4.740 -0.001 0.000 0.286 223 N C -0.038 175.500 175.510 0.047 0.000 1.138 223 N CA -0.525 52.544 53.050 0.031 0.000 0.859 223 N CB 1.336 39.839 38.487 0.027 0.000 1.414 223 N HN 0.067 nan 8.380 nan 0.000 0.529 224 S N 1.655 117.387 115.700 0.053 0.000 2.544 224 S HA 0.034 4.504 4.470 -0.001 0.000 0.290 224 S C 0.883 175.535 174.600 0.088 0.000 1.276 224 S CA -0.105 58.146 58.200 0.084 0.000 1.075 224 S CB 0.378 63.631 63.200 0.089 0.000 0.849 224 S HN 0.562 nan 8.310 nan 0.000 0.494 225 S N 1.739 117.519 115.700 0.134 0.000 2.743 225 S HA 0.542 5.012 4.470 -0.001 0.000 0.230 225 S C 0.716 175.364 174.600 0.080 0.000 0.950 225 S CA -0.276 57.998 58.200 0.123 0.000 0.976 225 S CB -0.721 62.578 63.200 0.165 0.000 0.779 225 S HN 1.526 nan 8.310 nan 0.000 0.487 226 G N 0.295 109.101 108.800 0.010 0.000 2.340 226 G HA2 0.343 4.302 3.960 -0.001 0.000 0.298 226 G HA3 0.343 4.302 3.960 -0.001 0.000 0.298 226 G C -1.802 172.966 174.900 -0.220 0.000 1.498 226 G CA -1.089 43.787 45.100 -0.372 0.000 0.847 226 G HN 0.267 nan 8.290 nan 0.000 0.594 227 N N -0.712 117.807 118.700 -0.302 0.000 2.471 227 N HA 0.427 5.167 4.740 -0.001 0.000 0.288 227 N C -0.782 174.728 175.510 -0.001 0.000 1.220 227 N CA -0.851 52.147 53.050 -0.087 0.000 0.893 227 N CB 1.999 40.388 38.487 -0.164 0.000 1.256 227 N HN 0.536 nan 8.380 nan 0.000 0.534 228 W N 2.783 124.020 121.300 -0.105 0.000 2.365 228 W HA 0.142 4.801 4.660 -0.001 0.000 0.371 228 W C -0.955 175.467 176.519 -0.162 0.000 1.006 228 W CA 0.003 57.340 57.345 -0.012 0.000 1.528 228 W CB -0.285 29.175 29.460 -0.000 0.000 1.497 228 W HN 0.458 nan 8.180 nan 0.000 0.367 229 H N 4.868 123.863 119.070 -0.125 0.000 2.787 229 H HA 0.181 4.737 4.556 -0.001 0.000 0.275 229 H C -0.192 175.020 175.328 -0.193 0.000 1.183 229 H CA -0.033 55.951 56.048 -0.105 0.000 1.290 229 H CB 1.088 30.776 29.762 -0.123 0.000 1.438 229 H HN 0.159 nan 8.280 nan 0.000 0.487 230 C N 4.464 123.767 119.300 0.005 0.000 2.547 230 C HA 0.353 4.813 4.460 -0.001 0.000 0.327 230 C C -0.887 174.147 174.990 0.073 0.000 1.076 230 C CA -0.358 58.661 59.018 0.002 0.000 1.390 230 C CB -0.408 27.349 27.740 0.027 0.000 1.918 230 C HN 0.929 nan 8.230 nan 0.000 0.438 231 D N 2.151 122.573 120.400 0.037 0.000 2.710 231 D HA 0.642 5.282 4.640 -0.001 0.000 0.276 231 D C -1.276 175.018 176.300 -0.011 0.000 1.267 231 D CA 0.157 54.179 54.000 0.037 0.000 0.772 231 D CB 2.110 42.945 40.800 0.059 0.000 1.299 231 D HN 0.626 nan 8.370 nan 0.000 0.421 232 S N 0.814 116.505 115.700 -0.016 0.000 2.603 232 S HA 0.726 5.195 4.470 -0.001 0.000 0.274 232 S C -1.459 173.106 174.600 -0.059 0.000 1.168 232 S CA -0.850 57.289 58.200 -0.100 0.000 0.963 232 S CB 1.723 64.808 63.200 -0.190 0.000 1.078 232 S HN 0.461 nan 8.310 nan 0.000 0.477 233 Q N 1.409 121.147 119.800 -0.104 0.000 2.458 233 Q HA 0.808 5.148 4.340 -0.001 0.000 0.282 233 Q C -1.675 174.266 176.000 -0.099 0.000 1.106 233 Q CA -0.593 55.224 55.803 0.022 0.000 0.814 233 Q CB 0.427 29.209 28.738 0.073 0.000 1.425 233 Q HN 0.761 nan 8.270 nan 0.000 0.437 234 W N 0.333 121.653 121.300 0.033 0.000 2.639 234 W HA 0.573 5.233 4.660 -0.001 0.000 0.347 234 W C -0.011 176.529 176.519 0.035 0.000 1.067 234 W CA -0.781 56.587 57.345 0.040 0.000 1.218 234 W CB 1.104 30.583 29.460 0.031 0.000 1.393 234 W HN 0.451 nan 8.180 nan 0.000 0.557 235 L N 2.769 124.149 121.223 0.262 0.000 2.906 235 L HA 0.234 4.574 4.340 -0.001 0.000 0.255 235 L C 1.665 178.630 176.870 0.159 0.000 1.166 235 L CA 0.903 55.841 54.840 0.163 0.000 0.977 235 L CB -0.742 41.380 42.059 0.106 0.000 1.313 235 L HN 1.013 nan 8.230 nan 0.000 0.549 236 G N 1.078 110.007 108.800 0.216 0.000 2.480 236 G HA2 -0.446 3.513 3.960 -0.001 0.000 0.246 236 G HA3 -0.446 3.513 3.960 -0.001 0.000 0.246 236 G C 0.989 175.972 174.900 0.139 0.000 1.073 236 G CA 1.121 46.309 45.100 0.147 0.000 0.643 236 G HN 0.384 nan 8.290 nan 0.000 0.525 237 D N 0.352 120.834 120.400 0.138 0.000 2.388 237 D HA 0.190 4.829 4.640 -0.001 0.000 0.208 237 D C 1.230 177.633 176.300 0.173 0.000 1.035 237 D CA 1.174 55.251 54.000 0.129 0.000 0.875 237 D CB 0.191 41.046 40.800 0.092 0.000 0.984 237 D HN 0.864 nan 8.370 nan 0.000 0.508 238 R N -1.748 118.864 120.500 0.187 0.000 2.741 238 R HA 0.567 4.907 4.340 -0.001 0.000 0.276 238 R C -2.037 174.351 176.300 0.147 0.000 1.028 238 R CA -0.979 55.236 56.100 0.190 0.000 0.865 238 R CB 1.074 31.456 30.300 0.137 0.000 1.268 238 R HN -0.128 nan 8.270 nan 0.000 0.475 239 V N 1.627 121.594 119.914 0.088 0.000 2.686 239 V HA 0.565 4.684 4.120 -0.001 0.000 0.306 239 V C -1.576 174.488 176.094 -0.051 0.000 1.065 239 V CA -0.878 61.324 62.300 -0.165 0.000 0.894 239 V CB 1.955 33.356 31.823 -0.704 0.000 1.004 239 V HN 0.673 nan 8.190 nan 0.000 0.424 240 I N 5.596 126.082 120.570 -0.139 0.000 2.339 240 I HA 0.505 4.675 4.170 -0.001 0.000 0.290 240 I C 0.443 176.479 176.117 -0.134 0.000 0.994 240 I CA 0.072 61.333 61.300 -0.064 0.000 1.191 240 I CB 2.054 40.015 38.000 -0.066 0.000 1.343 240 I HN 0.783 nan 8.210 nan 0.000 0.458 241 T N 1.454 115.971 114.554 -0.061 0.000 2.756 241 T HA 0.596 4.946 4.350 -0.001 0.000 0.290 241 T C -0.069 174.601 174.700 -0.049 0.000 0.985 241 T CA -0.681 61.337 62.100 -0.137 0.000 0.955 241 T CB 0.520 69.238 68.868 -0.250 0.000 0.930 241 T HN 0.474 nan 8.240 nan 0.000 0.451 242 T N 2.896 117.414 114.554 -0.059 0.000 2.794 242 T HA 0.637 4.987 4.350 -0.001 0.000 0.280 242 T C -0.301 174.373 174.700 -0.043 0.000 0.987 242 T CA -0.737 61.336 62.100 -0.045 0.000 0.993 242 T CB 1.451 70.297 68.868 -0.036 0.000 0.939 242 T HN 0.703 nan 8.240 nan 0.000 0.449 243 S N 1.930 117.593 115.700 -0.061 0.000 2.571 243 S HA 0.685 5.155 4.470 -0.001 0.000 0.284 243 S C -0.937 173.543 174.600 -0.199 0.000 1.128 243 S CA -0.536 57.606 58.200 -0.096 0.000 0.970 243 S CB 1.208 64.386 63.200 -0.037 0.000 1.039 243 S HN 0.665 nan 8.310 nan 0.000 0.485 244 T N 5.317 119.652 114.554 -0.366 0.000 2.881 244 T HA 0.665 5.015 4.350 -0.001 0.000 0.290 244 T C -0.961 173.358 174.700 -0.635 0.000 1.000 244 T CA -0.840 60.883 62.100 -0.629 0.000 0.978 244 T CB 1.091 69.239 68.868 -1.201 0.000 0.997 244 T HN 0.505 nan 8.240 nan 0.000 0.443 245 R N 1.231 121.564 120.500 -0.278 0.000 2.836 245 R HA 0.638 4.977 4.340 -0.001 0.000 0.269 245 R C -0.818 175.616 176.300 0.223 0.000 1.010 245 R CA -0.816 55.352 56.100 0.112 0.000 0.930 245 R CB 1.681 32.191 30.300 0.350 0.000 1.218 245 R HN 0.564 nan 8.270 nan 0.000 0.473 246 T N 2.612 117.355 114.554 0.315 0.000 2.799 246 T HA 0.515 4.864 4.350 -0.001 0.000 0.286 246 T C -0.194 174.462 174.700 -0.073 0.000 0.973 246 T CA -0.625 61.515 62.100 0.067 0.000 1.035 246 T CB 0.662 69.563 68.868 0.054 0.000 0.932 246 T HN 0.456 nan 8.240 nan 0.000 0.469 247 W N 0.670 121.812 121.300 -0.264 0.000 2.799 247 W HA 0.836 5.496 4.660 -0.001 0.000 0.349 247 W C -1.302 174.995 176.519 -0.371 0.000 1.100 247 W CA -1.715 55.197 57.345 -0.722 0.000 1.174 247 W CB 1.391 30.499 29.460 -0.587 0.000 1.427 247 W HN 0.730 nan 8.180 nan 0.000 0.547 248 A N 2.734 125.541 122.820 -0.022 0.000 2.414 248 A HA 0.761 5.081 4.320 -0.001 0.000 0.306 248 A C -2.198 175.507 177.584 0.201 0.000 1.054 248 A CA -0.759 51.341 52.037 0.106 0.000 0.724 248 A CB 1.979 20.963 19.000 -0.026 0.000 1.267 248 A HN 0.675 nan 8.150 nan 0.000 0.418 249 L N 3.674 125.068 121.223 0.286 0.000 2.404 249 L HA 0.689 5.029 4.340 -0.001 0.000 0.272 249 L C -2.683 174.238 176.870 0.085 0.000 0.980 249 L CA -1.586 53.351 54.840 0.162 0.000 0.836 249 L CB 2.124 44.274 42.059 0.152 0.000 1.238 249 L HN 0.443 nan 8.230 nan 0.000 0.408 250 P HA 0.375 nan 4.420 nan 0.000 0.293 250 P C -1.049 176.093 177.300 -0.262 0.000 1.304 250 P CA -0.421 62.539 63.100 -0.234 0.000 0.767 250 P CB 0.542 31.932 31.700 -0.516 0.000 1.247 251 T N 0.613 115.000 114.554 -0.279 0.000 2.762 251 T HA 0.320 4.670 4.350 -0.001 0.000 0.303 251 T C -0.362 174.131 174.700 -0.344 0.000 0.977 251 T CA 0.082 62.006 62.100 -0.293 0.000 0.961 251 T CB -0.848 67.805 68.868 -0.359 0.000 0.944 251 T HN 0.126 nan 8.240 nan 0.000 0.481 252 Y N 2.084 122.278 120.300 -0.175 0.000 2.301 252 Y HA 0.188 4.738 4.550 -0.001 0.000 0.328 252 Y C 1.684 177.498 175.900 -0.143 0.000 1.242 252 Y CA -0.215 57.809 58.100 -0.126 0.000 1.323 252 Y CB 0.411 38.826 38.460 -0.075 0.000 1.266 252 Y HN 0.706 nan 8.280 nan 0.000 0.527 253 N N 1.937 120.692 118.700 0.093 0.000 2.650 253 N HA -0.395 4.345 4.740 -0.001 0.000 0.249 253 N C -0.365 175.138 175.510 -0.012 0.000 1.155 253 N CA 0.773 53.848 53.050 0.042 0.000 0.747 253 N CB -0.597 37.920 38.487 0.051 0.000 1.132 253 N HN 0.766 nan 8.380 nan 0.000 0.564 254 N N 0.170 118.808 118.700 -0.104 0.000 2.714 254 N HA -0.208 4.532 4.740 -0.001 0.000 0.253 254 N C -0.561 174.896 175.510 -0.089 0.000 1.024 254 N CA 2.030 54.998 53.050 -0.138 0.000 0.726 254 N CB -1.747 36.751 38.487 0.018 0.000 0.908 254 N HN 0.721 nan 8.380 nan 0.000 0.542 255 H N -2.725 116.300 119.070 -0.076 0.000 2.861 255 H HA -0.202 4.353 4.556 -0.001 0.000 0.289 255 H C -0.159 175.143 175.328 -0.042 0.000 1.176 255 H CA 1.213 57.165 56.048 -0.159 0.000 1.146 255 H CB -1.138 28.389 29.762 -0.392 0.000 1.330 255 H HN 0.352 nan 8.280 nan 0.000 0.379 256 L N 0.132 121.399 121.223 0.072 0.000 2.401 256 L HA 0.451 4.791 4.340 -0.001 0.000 0.266 256 L C -0.242 176.689 176.870 0.101 0.000 0.991 256 L CA -1.029 53.901 54.840 0.149 0.000 0.818 256 L CB 1.406 43.569 42.059 0.174 0.000 1.321 256 L HN 0.022 nan 8.230 nan 0.000 0.413 257 Y N 2.077 122.530 120.300 0.254 0.000 2.336 257 Y HA 0.323 4.873 4.550 -0.001 0.000 0.335 257 Y C 0.031 176.088 175.900 0.262 0.000 1.046 257 Y CA -0.163 58.124 58.100 0.312 0.000 1.198 257 Y CB 1.012 39.726 38.460 0.422 0.000 1.182 257 Y HN 0.284 nan 8.280 nan 0.000 0.502 258 K N 2.874 123.484 120.400 0.350 0.000 2.270 258 K HA 0.225 4.544 4.320 -0.001 0.000 0.255 258 K C -0.819 175.871 176.600 0.150 0.000 0.936 258 K CA -1.059 55.353 56.287 0.209 0.000 0.809 258 K CB 1.966 34.532 32.500 0.109 0.000 1.131 258 K HN 0.597 nan 8.250 nan 0.000 0.427 259 Q N 5.111 124.919 119.800 0.014 0.000 2.307 259 Q HA 0.196 4.535 4.340 -0.001 0.000 0.261 259 Q C -0.527 175.222 176.000 -0.418 0.000 1.051 259 Q CA -0.336 55.224 55.803 -0.404 0.000 0.911 259 Q CB 0.202 28.745 28.738 -0.325 0.000 1.227 259 Q HN 0.581 nan 8.270 nan 0.000 0.418 260 I N 1.028 121.257 120.570 -0.568 0.000 2.707 260 I HA 0.793 4.963 4.170 -0.001 0.000 0.309 260 I C -0.507 175.251 176.117 -0.598 0.000 1.001 260 I CA -0.727 60.344 61.300 -0.383 0.000 1.129 260 I CB 2.080 39.986 38.000 -0.156 0.000 1.308 260 I HN 0.693 nan 8.210 nan 0.000 0.466 261 S N 1.867 117.257 115.700 -0.517 0.000 2.661 261 S HA 0.469 4.939 4.470 -0.001 0.000 0.268 261 S C -0.560 173.498 174.600 -0.904 0.000 1.162 261 S CA -0.591 57.149 58.200 -0.767 0.000 0.817 261 S CB 0.875 63.936 63.200 -0.231 0.000 1.141 261 S HN 0.994 nan 8.310 nan 0.000 0.477 262 S N 1.146 116.364 115.700 -0.803 0.000 2.576 262 S HA 0.357 4.827 4.470 -0.001 0.000 0.276 262 S C 0.088 174.669 174.600 -0.032 0.000 1.339 262 S CA -0.553 57.508 58.200 -0.232 0.000 1.039 262 S CB 0.293 63.558 63.200 0.109 0.000 0.902 262 S HN 0.769 nan 8.310 nan 0.000 0.516 263 Q N 1.461 121.282 119.800 0.034 0.000 2.349 263 Q HA 0.055 4.394 4.340 -0.001 0.000 0.287 263 Q C -0.356 175.669 176.000 0.042 0.000 1.044 263 Q CA 0.380 56.198 55.803 0.024 0.000 0.918 263 Q CB 0.548 29.297 28.738 0.018 0.000 1.242 263 Q HN 0.827 nan 8.270 nan 0.000 0.405 264 S N 2.505 118.224 115.700 0.033 0.000 2.711 264 S HA 0.211 4.680 4.470 -0.001 0.000 0.335 264 S C 0.681 175.311 174.600 0.049 0.000 1.175 264 S CA 0.422 58.649 58.200 0.045 0.000 1.372 264 S CB -0.743 62.469 63.200 0.020 0.000 1.337 264 S HN 0.812 nan 8.310 nan 0.000 0.572 265 G N 2.017 110.872 108.800 0.091 0.000 2.353 265 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.294 265 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.294 265 G C 0.465 175.370 174.900 0.007 0.000 1.077 265 G CA -0.022 45.117 45.100 0.065 0.000 1.098 265 G HN 0.958 nan 8.290 nan 0.000 0.511 266 A N -1.076 121.723 122.820 -0.035 0.000 2.127 266 A HA 0.818 5.137 4.320 -0.001 0.000 0.204 266 A C 1.085 178.601 177.584 -0.112 0.000 1.243 266 A CA 1.603 53.604 52.037 -0.060 0.000 0.887 266 A CB 0.834 19.808 19.000 -0.044 0.000 0.933 266 A HN 1.558 nan 8.150 nan 0.000 0.479 267 S N -2.001 113.574 115.700 -0.208 0.000 2.552 267 S HA 0.334 4.803 4.470 -0.001 0.000 0.272 267 S C 0.027 174.370 174.600 -0.428 0.000 1.150 267 S CA -0.393 57.657 58.200 -0.250 0.000 0.849 267 S CB 1.260 64.329 63.200 -0.217 0.000 1.113 267 S HN 0.406 nan 8.310 nan 0.000 0.458 268 N N 0.663 119.239 118.700 -0.207 0.000 2.571 268 N HA 0.034 4.774 4.740 -0.001 0.000 0.195 268 N C 0.016 175.568 175.510 0.070 0.000 1.040 268 N CA 0.202 53.241 53.050 -0.018 0.000 0.890 268 N CB 0.128 38.666 38.487 0.085 0.000 1.233 268 N HN 0.510 nan 8.380 nan 0.000 0.435 269 D N 0.650 121.058 120.400 0.014 0.000 2.363 269 D HA 0.030 4.670 4.640 -0.001 0.000 0.226 269 D C -0.020 176.293 176.300 0.021 0.000 1.020 269 D CA 0.631 54.670 54.000 0.064 0.000 0.892 269 D CB -0.200 40.657 40.800 0.094 0.000 0.900 269 D HN 0.408 nan 8.370 nan 0.000 0.531 270 N N -0.605 118.066 118.700 -0.049 0.000 2.200 270 N HA 0.006 4.745 4.740 -0.001 0.000 0.224 270 N C 0.040 175.594 175.510 0.074 0.000 1.179 270 N CA -0.354 52.675 53.050 -0.036 0.000 0.877 270 N CB 0.735 39.153 38.487 -0.116 0.000 1.072 270 N HN 0.069 nan 8.380 nan 0.000 0.519 271 H N 1.121 120.275 119.070 0.141 0.000 2.871 271 H HA 0.044 4.600 4.556 -0.001 0.000 0.355 271 H C -0.424 175.079 175.328 0.291 0.000 1.092 271 H CA 0.681 56.836 56.048 0.179 0.000 1.420 271 H CB 0.367 30.184 29.762 0.092 0.000 1.400 271 H HN 0.259 nan 8.280 nan 0.000 0.604 272 Y N 0.552 120.976 120.300 0.206 0.000 2.702 272 Y HA 0.472 5.021 4.550 -0.001 0.000 0.336 272 Y C -2.271 173.745 175.900 0.193 0.000 1.203 272 Y CA -1.376 56.814 58.100 0.151 0.000 1.072 272 Y CB 1.306 39.810 38.460 0.074 0.000 1.327 272 Y HN 0.403 nan 8.280 nan 0.000 0.456 273 F N 1.281 121.200 119.950 -0.052 0.000 2.588 273 F HA 0.833 5.360 4.527 -0.001 0.000 0.314 273 F C -0.346 175.405 175.800 -0.081 0.000 1.134 273 F CA 0.035 57.916 58.000 -0.199 0.000 0.961 273 F CB 1.970 40.877 39.000 -0.155 0.000 1.239 273 F HN 1.087 nan 8.300 nan 0.000 0.448 274 G N 2.931 111.223 108.800 -0.846 0.000 2.588 274 G HA2 0.491 4.451 3.960 -0.001 0.000 0.281 274 G HA3 0.491 4.451 3.960 -0.001 0.000 0.281 274 G C -2.405 171.862 174.900 -1.055 0.000 1.223 274 G CA -0.579 44.138 45.100 -0.638 0.000 0.871 274 G HN 0.516 nan 8.290 nan 0.000 0.492 275 Y N -0.892 119.041 120.300 -0.611 0.000 2.588 275 Y HA 0.729 5.278 4.550 -0.001 0.000 0.343 275 Y C 0.094 175.842 175.900 -0.254 0.000 1.065 275 Y CA -0.796 57.073 58.100 -0.384 0.000 1.038 275 Y CB 2.603 40.947 38.460 -0.195 0.000 1.297 275 Y HN 0.538 nan 8.280 nan 0.000 0.467 276 S N 1.298 117.074 115.700 0.125 0.000 2.456 276 S HA 0.572 5.042 4.470 -0.001 0.000 0.316 276 S C -0.594 174.134 174.600 0.212 0.000 1.089 276 S CA -0.540 57.727 58.200 0.111 0.000 1.101 276 S CB 0.199 63.433 63.200 0.056 0.000 0.995 276 S HN 0.701 nan 8.310 nan 0.000 0.468 277 T N 2.735 117.423 114.554 0.223 0.000 2.902 277 T HA 0.563 4.913 4.350 -0.001 0.000 0.283 277 T C -2.423 172.289 174.700 0.021 0.000 1.009 277 T CA -2.079 60.095 62.100 0.124 0.000 1.051 277 T CB 1.375 70.553 68.868 0.517 0.000 0.999 277 T HN 0.297 nan 8.240 nan 0.000 0.474 278 P HA 0.145 nan 4.420 nan 0.000 0.242 278 P C -0.689 176.571 177.300 -0.068 0.000 1.197 278 P CA 0.043 63.073 63.100 -0.117 0.000 0.765 278 P CB -0.084 31.463 31.700 -0.255 0.000 0.936 279 W N 0.322 121.606 121.300 -0.026 0.000 2.375 279 W HA 0.560 5.220 4.660 -0.001 0.000 0.336 279 W C 1.073 177.571 176.519 -0.035 0.000 1.160 279 W CA -0.045 57.297 57.345 -0.004 0.000 1.266 279 W CB 0.687 30.136 29.460 -0.018 0.000 1.195 279 W HN -0.190 nan 8.180 nan 0.000 0.599 280 G N 0.563 109.458 108.800 0.159 0.000 2.705 280 G HA2 0.739 4.698 3.960 -0.001 0.000 0.299 280 G HA3 0.739 4.698 3.960 -0.001 0.000 0.299 280 G C -1.971 172.929 174.900 -0.001 0.000 1.315 280 G CA -0.711 44.363 45.100 -0.042 0.000 1.045 280 G HN 0.575 nan 8.290 nan 0.000 0.517 281 Y N -2.928 117.224 120.300 -0.247 0.000 2.624 281 Y HA 0.732 5.282 4.550 -0.001 0.000 0.334 281 Y C -1.791 173.916 175.900 -0.323 0.000 1.155 281 Y CA -2.188 55.755 58.100 -0.262 0.000 1.046 281 Y CB 1.060 39.407 38.460 -0.190 0.000 1.316 281 Y HN 0.395 nan 8.280 nan 0.000 0.457 282 F N 1.550 121.552 119.950 0.087 0.000 2.422 282 F HA 0.566 5.093 4.527 -0.001 0.000 0.333 282 F C -0.264 175.637 175.800 0.168 0.000 1.095 282 F CA -0.077 58.013 58.000 0.149 0.000 1.038 282 F CB 1.695 40.861 39.000 0.276 0.000 1.156 282 F HN 0.636 nan 8.300 nan 0.000 0.483 283 D N 1.714 122.307 120.400 0.321 0.000 2.753 283 D HA 0.446 5.086 4.640 -0.001 0.000 0.224 283 D C -0.886 175.496 176.300 0.136 0.000 1.213 283 D CA -0.516 53.525 54.000 0.068 0.000 0.833 283 D CB 1.289 42.141 40.800 0.086 0.000 1.607 283 D HN 0.289 nan 8.370 nan 0.000 0.463 284 F N 0.610 120.661 119.950 0.167 0.000 2.656 284 F HA 0.386 4.912 4.527 -0.001 0.000 0.363 284 F C 0.302 176.152 175.800 0.083 0.000 1.313 284 F CA -0.814 57.248 58.000 0.103 0.000 1.089 284 F CB -0.974 38.178 39.000 0.254 0.000 1.247 284 F HN 0.279 nan 8.300 nan 0.000 0.509 285 N N 1.836 120.368 118.700 -0.279 0.000 2.581 285 N HA 0.133 4.873 4.740 -0.001 0.000 0.230 285 N C -0.382 174.925 175.510 -0.339 0.000 1.310 285 N CA 0.011 52.701 53.050 -0.601 0.000 0.886 285 N CB 0.184 38.122 38.487 -0.914 0.000 1.205 285 N HN 0.370 nan 8.380 nan 0.000 0.488 286 R N -0.411 119.966 120.500 -0.205 0.000 2.628 286 R HA 0.193 4.532 4.340 -0.001 0.000 0.288 286 R C 0.017 176.192 176.300 -0.209 0.000 0.980 286 R CA -0.655 55.272 56.100 -0.288 0.000 0.891 286 R CB 0.941 30.926 30.300 -0.526 0.000 1.188 286 R HN 0.129 nan 8.270 nan 0.000 0.450 287 F N 1.017 120.963 119.950 -0.006 0.000 2.216 287 F HA -0.184 4.342 4.527 -0.001 0.000 0.300 287 F C 2.317 178.156 175.800 0.065 0.000 1.085 287 F CA 1.702 59.789 58.000 0.146 0.000 1.326 287 F CB -0.072 38.835 39.000 -0.154 0.000 1.027 287 F HN 0.721 nan 8.300 nan 0.000 0.497 288 H N -2.787 116.349 119.070 0.109 0.000 2.561 288 H HA -0.040 4.516 4.556 -0.001 0.000 0.278 288 H C 1.753 177.094 175.328 0.022 0.000 1.014 288 H CA 0.580 56.653 56.048 0.042 0.000 1.211 288 H CB -1.415 28.347 29.762 -0.000 0.000 1.365 288 H HN 0.248 nan 8.280 nan 0.000 0.594 289 C N 0.670 119.829 119.300 -0.236 0.000 2.432 289 C HA -0.033 4.426 4.460 -0.001 0.000 0.280 289 C C 1.847 176.605 174.990 -0.387 0.000 1.353 289 C CA 1.013 59.818 59.018 -0.355 0.000 1.766 289 C CB -0.613 26.752 27.740 -0.625 0.000 1.924 289 C HN 0.799 nan 8.230 nan 0.000 0.509 290 H N -2.787 116.402 119.070 0.199 0.000 2.521 290 H HA 0.243 4.799 4.556 -0.001 0.000 0.267 290 H C 0.127 175.416 175.328 -0.066 0.000 0.963 290 H CA 0.191 56.287 56.048 0.080 0.000 1.175 290 H CB -0.201 29.661 29.762 0.166 0.000 1.450 290 H HN 0.311 nan 8.280 nan 0.000 0.472 291 F N 2.899 122.987 119.950 0.229 0.000 2.394 291 F HA 0.261 4.788 4.527 -0.001 0.000 0.340 291 F C 1.142 177.017 175.800 0.125 0.000 1.105 291 F CA -0.855 57.243 58.000 0.165 0.000 1.124 291 F CB 1.205 40.361 39.000 0.260 0.000 1.145 291 F HN -0.037 nan 8.300 nan 0.000 0.505 292 S N 2.739 118.604 115.700 0.274 0.000 2.632 292 S HA 0.369 4.839 4.470 -0.001 0.000 0.267 292 S C -2.023 172.681 174.600 0.173 0.000 1.276 292 S CA -1.169 57.145 58.200 0.189 0.000 0.998 292 S CB 1.508 64.799 63.200 0.152 0.000 0.953 292 S HN 0.344 nan 8.310 nan 0.000 0.547 293 P HA -0.173 nan 4.420 nan 0.000 0.216 293 P C 1.713 179.005 177.300 -0.013 0.000 1.157 293 P CA 1.303 64.307 63.100 -0.160 0.000 0.880 293 P CB -0.032 31.488 31.700 -0.301 0.000 0.791 294 R N 0.346 120.887 120.500 0.069 0.000 2.070 294 R HA -0.143 4.196 4.340 -0.001 0.000 0.233 294 R C 1.835 178.224 176.300 0.149 0.000 1.137 294 R CA 2.058 58.216 56.100 0.097 0.000 0.945 294 R CB -1.664 28.703 30.300 0.111 0.000 0.845 294 R HN 0.096 nan 8.270 nan 0.000 0.430 295 D N -0.351 120.209 120.400 0.267 0.000 2.116 295 D HA -0.257 4.382 4.640 -0.001 0.000 0.193 295 D C 1.689 178.233 176.300 0.406 0.000 0.998 295 D CA 1.323 55.605 54.000 0.470 0.000 0.836 295 D CB -0.651 40.476 40.800 0.544 0.000 0.951 295 D HN 0.409 nan 8.370 nan 0.000 0.449 296 W N 1.944 123.294 121.300 0.084 0.000 2.325 296 W HA -0.234 4.426 4.660 -0.001 0.000 0.299 296 W C 2.220 178.611 176.519 -0.214 0.000 1.215 296 W CA 1.417 58.664 57.345 -0.164 0.000 1.244 296 W CB -0.088 29.225 29.460 -0.245 0.000 1.140 296 W HN 0.119 nan 8.180 nan 0.000 0.523 297 Q N 0.340 120.108 119.800 -0.053 0.000 2.020 297 Q HA -0.235 4.105 4.340 -0.001 0.000 0.202 297 Q C 2.433 178.306 176.000 -0.213 0.000 0.982 297 Q CA 2.157 57.863 55.803 -0.161 0.000 0.838 297 Q CB -0.277 28.440 28.738 -0.035 0.000 0.899 297 Q HN 0.219 nan 8.270 nan 0.000 0.423 298 R N 0.360 120.752 120.500 -0.181 0.000 2.094 298 R HA -0.191 4.149 4.340 -0.001 0.000 0.239 298 R C 2.529 178.622 176.300 -0.346 0.000 1.137 298 R CA 1.704 57.606 56.100 -0.330 0.000 0.943 298 R CB -0.801 29.155 30.300 -0.575 0.000 0.850 298 R HN 0.355 nan 8.270 nan 0.000 0.433 299 L N 0.811 121.893 121.223 -0.236 0.000 1.956 299 L HA -0.258 4.082 4.340 -0.001 0.000 0.216 299 L C 2.238 178.888 176.870 -0.366 0.000 1.073 299 L CA 1.535 56.234 54.840 -0.235 0.000 0.762 299 L CB -0.288 41.498 42.059 -0.455 0.000 0.889 299 L HN 0.186 nan 8.230 nan 0.000 0.433 300 I N 0.447 120.688 120.570 -0.548 0.000 2.163 300 I HA -0.303 3.867 4.170 -0.001 0.000 0.243 300 I C 1.950 177.940 176.117 -0.211 0.000 1.085 300 I CA 1.527 62.556 61.300 -0.452 0.000 1.347 300 I CB -1.653 35.987 38.000 -0.600 0.000 1.044 300 I HN 0.448 nan 8.210 nan 0.000 0.408 301 N N 1.032 119.599 118.700 -0.222 0.000 2.521 301 N HA -0.058 4.682 4.740 -0.001 0.000 0.188 301 N C 1.071 176.538 175.510 -0.072 0.000 1.146 301 N CA 0.451 53.431 53.050 -0.117 0.000 0.893 301 N CB -0.077 38.331 38.487 -0.132 0.000 0.975 301 N HN 0.469 nan 8.380 nan 0.000 0.451 302 N N -0.280 118.363 118.700 -0.094 0.000 2.266 302 N HA 0.089 4.829 4.740 -0.001 0.000 0.217 302 N C -0.615 174.857 175.510 -0.063 0.000 1.211 302 N CA 0.014 53.001 53.050 -0.105 0.000 0.881 302 N CB 0.782 39.165 38.487 -0.174 0.000 1.153 302 N HN 0.150 nan 8.380 nan 0.000 0.489 303 N N -0.142 118.578 118.700 0.033 0.000 2.342 303 N HA 0.141 4.880 4.740 -0.001 0.000 0.293 303 N C 0.336 176.061 175.510 0.358 0.000 1.026 303 N CA -0.442 52.686 53.050 0.130 0.000 0.857 303 N CB 1.769 40.358 38.487 0.170 0.000 1.256 303 N HN 0.143 nan 8.380 nan 0.000 0.484 304 W N 1.920 123.240 121.300 0.034 0.000 2.321 304 W HA -0.127 4.532 4.660 -0.001 0.000 0.306 304 W C 1.119 177.728 176.519 0.149 0.000 1.217 304 W CA 0.268 57.631 57.345 0.030 0.000 1.257 304 W CB 0.342 29.732 29.460 -0.117 0.000 1.145 304 W HN 0.590 nan 8.180 nan 0.000 0.509 305 G N -1.859 107.196 108.800 0.425 0.000 2.550 305 G HA2 0.468 4.427 3.960 -0.001 0.000 0.293 305 G HA3 0.468 4.427 3.960 -0.001 0.000 0.293 305 G C -1.822 173.534 174.900 0.760 0.000 1.402 305 G CA -0.658 44.732 45.100 0.484 0.000 0.784 305 G HN 0.088 nan 8.290 nan 0.000 0.482 306 F N -1.310 119.082 119.950 0.737 0.000 2.779 306 F HA 0.945 5.472 4.527 -0.001 0.000 0.316 306 F C -0.759 175.287 175.800 0.412 0.000 1.164 306 F CA -1.367 57.008 58.000 0.626 0.000 0.924 306 F CB 1.651 40.881 39.000 0.383 0.000 1.348 306 F HN 0.928 nan 8.300 nan 0.000 0.467 307 R N -0.350 120.351 120.500 0.336 0.000 2.712 307 R HA 0.689 5.029 4.340 -0.001 0.000 0.272 307 R C -3.635 172.588 176.300 -0.128 0.000 1.032 307 R CA -1.934 54.020 56.100 -0.243 0.000 0.874 307 R CB 1.602 31.421 30.300 -0.802 0.000 1.256 307 R HN 0.374 nan 8.270 nan 0.000 0.468 308 P HA 0.315 nan 4.420 nan 0.000 0.278 308 P C -0.732 176.070 177.300 -0.831 0.000 1.238 308 P CA -0.580 61.758 63.100 -1.269 0.000 0.794 308 P CB 1.157 31.528 31.700 -2.216 0.000 0.955 309 K N 0.999 121.086 120.400 -0.521 0.000 2.537 309 K HA 0.281 4.600 4.320 -0.001 0.000 0.216 309 K C 0.401 177.033 176.600 0.053 0.000 1.349 309 K CA 0.755 56.944 56.287 -0.165 0.000 0.841 309 K CB 0.213 32.618 32.500 -0.157 0.000 1.659 309 K HN 0.348 nan 8.250 nan 0.000 0.435 310 K N 0.296 120.682 120.400 -0.023 0.000 2.331 310 K HA 0.552 4.871 4.320 -0.001 0.000 0.238 310 K C -1.223 175.367 176.600 -0.017 0.000 1.058 310 K CA -0.947 55.301 56.287 -0.064 0.000 0.871 310 K CB 1.712 34.137 32.500 -0.125 0.000 1.292 310 K HN -0.087 nan 8.250 nan 0.000 0.470 311 L N -0.356 120.820 121.223 -0.079 0.000 2.513 311 L HA 0.407 4.746 4.340 -0.001 0.000 0.261 311 L C -1.790 175.036 176.870 -0.073 0.000 0.945 311 L CA 0.007 54.829 54.840 -0.030 0.000 0.848 311 L CB 2.481 44.568 42.059 0.046 0.000 1.334 311 L HN 0.513 nan 8.230 nan 0.000 0.407 312 S N 4.369 120.047 115.700 -0.037 0.000 2.779 312 S HA 0.572 5.042 4.470 -0.001 0.000 0.293 312 S C -1.284 173.352 174.600 0.060 0.000 1.150 312 S CA -0.259 57.919 58.200 -0.036 0.000 1.057 312 S CB 0.735 63.875 63.200 -0.100 0.000 1.021 312 S HN 0.472 nan 8.310 nan 0.000 0.485 313 F N 3.668 123.630 119.950 0.020 0.000 2.436 313 F HA 0.660 5.187 4.527 -0.001 0.000 0.340 313 F C -0.138 175.723 175.800 0.102 0.000 1.113 313 F CA -0.403 57.655 58.000 0.097 0.000 1.022 313 F CB 0.818 39.992 39.000 0.291 0.000 1.128 313 F HN 0.385 nan 8.300 nan 0.000 0.466 314 K N 7.227 127.354 120.400 -0.454 0.000 2.513 314 K HA 0.557 4.877 4.320 -0.001 0.000 0.251 314 K C -2.115 174.423 176.600 -0.103 0.000 0.939 314 K CA -0.619 55.592 56.287 -0.126 0.000 0.793 314 K CB 1.500 33.978 32.500 -0.035 0.000 1.241 314 K HN 0.763 nan 8.250 nan 0.000 0.431 315 L N 6.050 127.382 121.223 0.182 0.000 2.341 315 L HA 0.682 5.022 4.340 -0.001 0.000 0.278 315 L C -0.762 176.371 176.870 0.439 0.000 1.005 315 L CA -0.825 54.132 54.840 0.194 0.000 0.818 315 L CB 0.942 43.105 42.059 0.172 0.000 1.259 315 L HN 0.706 nan 8.230 nan 0.000 0.418 316 F N -0.514 119.548 119.950 0.186 0.000 2.985 316 F HA 0.399 4.925 4.527 -0.001 0.000 0.322 316 F C 0.059 175.944 175.800 0.142 0.000 1.187 316 F CA -1.440 56.649 58.000 0.148 0.000 0.910 316 F CB 1.084 40.137 39.000 0.088 0.000 1.411 316 F HN 0.459 nan 8.300 nan 0.000 0.492 317 N N 0.345 119.212 118.700 0.279 0.000 2.716 317 N HA -0.210 4.529 4.740 -0.001 0.000 0.250 317 N C -0.967 174.542 175.510 -0.002 0.000 1.033 317 N CA 0.566 53.688 53.050 0.120 0.000 0.727 317 N CB -1.141 37.408 38.487 0.104 0.000 0.950 317 N HN 0.470 nan 8.380 nan 0.000 0.541 318 I N 1.005 121.616 120.570 0.069 0.000 2.588 318 I HA 0.012 4.182 4.170 -0.001 0.000 0.283 318 I C 0.520 176.635 176.117 -0.004 0.000 1.119 318 I CA 0.488 61.823 61.300 0.059 0.000 1.419 318 I CB 0.665 38.779 38.000 0.189 0.000 1.394 318 I HN 0.144 nan 8.210 nan 0.000 0.562 319 Q N 5.439 125.195 119.800 -0.073 0.000 2.305 319 Q HA 0.511 4.850 4.340 -0.001 0.000 0.271 319 Q C -1.375 174.549 176.000 -0.127 0.000 1.046 319 Q CA -0.771 54.976 55.803 -0.094 0.000 0.798 319 Q CB 3.129 31.790 28.738 -0.129 0.000 1.286 319 Q HN 0.384 nan 8.270 nan 0.000 0.435 320 V N 3.368 123.211 119.914 -0.118 0.000 2.311 320 V HA 0.292 4.412 4.120 -0.001 0.000 0.275 320 V C -0.390 175.554 176.094 -0.250 0.000 1.022 320 V CA -0.706 61.493 62.300 -0.167 0.000 0.830 320 V CB 0.888 32.662 31.823 -0.082 0.000 1.012 320 V HN 0.545 nan 8.190 nan 0.000 0.452 321 K N 4.270 124.372 120.400 -0.496 0.000 2.183 321 K HA 0.496 4.816 4.320 -0.001 0.000 0.274 321 K C -0.118 176.233 176.600 -0.415 0.000 1.009 321 K CA -0.492 55.489 56.287 -0.510 0.000 0.888 321 K CB 2.198 34.257 32.500 -0.735 0.000 1.078 321 K HN 0.861 nan 8.250 nan 0.000 0.459 322 E N 0.524 120.636 120.200 -0.147 0.000 2.166 322 E HA 0.421 4.770 4.350 -0.001 0.000 0.275 322 E C -0.752 175.879 176.600 0.052 0.000 0.941 322 E CA -0.995 55.393 56.400 -0.020 0.000 0.784 322 E CB 1.872 31.572 29.700 -0.002 0.000 1.115 322 E HN 0.122 nan 8.360 nan 0.000 0.399 323 V N 2.762 122.744 119.914 0.114 0.000 2.630 323 V HA 0.751 4.870 4.120 -0.001 0.000 0.305 323 V C -0.908 175.228 176.094 0.071 0.000 1.046 323 V CA -0.016 62.350 62.300 0.111 0.000 0.934 323 V CB 1.925 33.835 31.823 0.145 0.000 1.003 323 V HN 1.001 nan 8.190 nan 0.000 0.451 324 T N 3.065 117.650 114.554 0.052 0.000 2.879 324 T HA 0.587 4.937 4.350 -0.001 0.000 0.290 324 T C -0.947 173.770 174.700 0.028 0.000 0.993 324 T CA -0.733 61.391 62.100 0.039 0.000 0.975 324 T CB 1.575 70.463 68.868 0.034 0.000 0.981 324 T HN 0.583 nan 8.240 nan 0.000 0.439 325 Q N 3.130 122.944 119.800 0.022 0.000 2.441 325 Q HA 0.405 4.744 4.340 -0.001 0.000 0.234 325 Q C 0.841 176.848 176.000 0.012 0.000 1.078 325 Q CA -0.507 55.304 55.803 0.014 0.000 0.907 325 Q CB 0.620 29.364 28.738 0.009 0.000 1.269 325 Q HN 0.547 nan 8.270 nan 0.000 0.502 326 N N 1.380 120.086 118.700 0.011 0.000 2.124 326 N HA -0.068 4.671 4.740 -0.001 0.000 0.189 326 N C 0.123 175.637 175.510 0.006 0.000 1.050 326 N CA 1.215 54.270 53.050 0.009 0.000 0.848 326 N CB 0.354 38.846 38.487 0.009 0.000 1.027 326 N HN 0.451 nan 8.380 nan 0.000 0.435 327 D N -1.370 119.033 120.400 0.004 0.000 3.013 327 D HA 0.206 4.845 4.640 -0.001 0.000 0.256 327 D C 1.021 177.322 176.300 0.001 0.000 1.573 327 D CA 0.611 54.612 54.000 0.002 0.000 1.197 327 D CB -0.374 40.427 40.800 0.002 0.000 1.041 327 D HN 0.275 nan 8.370 nan 0.000 0.304 328 G N -0.094 108.706 108.800 -0.000 0.000 3.969 328 G HA2 0.246 4.205 3.960 -0.001 0.000 0.291 328 G HA3 0.246 4.205 3.960 -0.001 0.000 0.291 328 G C -0.292 174.607 174.900 -0.002 0.000 1.016 328 G CA 0.058 45.157 45.100 -0.002 0.000 0.819 328 G HN 0.220 nan 8.290 nan 0.000 0.493 329 T N 0.660 115.214 114.554 0.000 0.000 2.881 329 T HA 0.504 4.854 4.350 -0.001 0.000 0.291 329 T C -0.153 174.549 174.700 0.004 0.000 0.990 329 T CA -0.293 61.807 62.100 0.001 0.000 0.976 329 T CB 1.092 69.961 68.868 0.002 0.000 0.970 329 T HN 0.107 nan 8.240 nan 0.000 0.438 330 T N 2.743 117.299 114.554 0.003 0.000 2.723 330 T HA 0.512 4.861 4.350 -0.001 0.000 0.297 330 T C 0.475 175.184 174.700 0.015 0.000 0.925 330 T CA -0.774 61.331 62.100 0.008 0.000 1.030 330 T CB 0.225 69.093 68.868 0.000 0.000 0.905 330 T HN 0.729 nan 8.240 nan 0.000 0.502 331 T N 1.901 116.468 114.554 0.022 0.000 2.829 331 T HA 0.691 5.041 4.350 -0.001 0.000 0.282 331 T C -0.063 174.662 174.700 0.042 0.000 0.990 331 T CA -0.957 61.158 62.100 0.026 0.000 1.028 331 T CB 0.576 69.455 68.868 0.020 0.000 0.951 331 T HN 0.637 nan 8.240 nan 0.000 0.460 332 I N 1.987 122.586 120.570 0.048 0.000 2.433 332 I HA 0.732 4.901 4.170 -0.001 0.000 0.292 332 I C 0.218 176.356 176.117 0.034 0.000 1.001 332 I CA -1.045 60.298 61.300 0.071 0.000 1.119 332 I CB 1.678 39.754 38.000 0.126 0.000 1.289 332 I HN 0.955 nan 8.210 nan 0.000 0.438 333 A N 5.122 127.949 122.820 0.012 0.000 2.525 333 A HA 0.665 4.985 4.320 -0.001 0.000 0.291 333 A C -1.221 176.338 177.584 -0.042 0.000 1.268 333 A CA -0.782 51.249 52.037 -0.010 0.000 0.712 333 A CB 1.385 20.384 19.000 -0.002 0.000 1.320 333 A HN 0.620 nan 8.150 nan 0.000 0.456 334 N N 2.010 120.687 118.700 -0.038 0.000 2.422 334 N HA 0.254 4.993 4.740 -0.001 0.000 0.266 334 N C -1.266 174.220 175.510 -0.040 0.000 1.007 334 N CA -0.185 52.834 53.050 -0.052 0.000 0.941 334 N CB 1.245 39.709 38.487 -0.039 0.000 1.115 334 N HN 0.564 nan 8.380 nan 0.000 0.492 335 N N 3.803 122.472 118.700 -0.052 0.000 2.955 335 N HA 0.200 4.940 4.740 -0.001 0.000 0.242 335 N C 1.050 176.544 175.510 -0.028 0.000 1.123 335 N CA -0.267 52.763 53.050 -0.032 0.000 0.949 335 N CB 0.163 38.631 38.487 -0.031 0.000 1.214 335 N HN 0.486 nan 8.380 nan 0.000 0.504 336 L N 0.542 121.754 121.223 -0.018 0.000 2.046 336 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 336 L C 2.001 178.870 176.870 -0.002 0.000 1.077 336 L CA 1.530 56.364 54.840 -0.010 0.000 0.747 336 L CB -0.756 41.300 42.059 -0.004 0.000 0.896 336 L HN 0.505 nan 8.230 nan 0.000 0.432 337 T N -3.962 110.592 114.554 -0.001 0.000 3.227 337 T HA -0.011 4.339 4.350 -0.001 0.000 0.257 337 T C 0.816 175.517 174.700 0.002 0.000 1.162 337 T CA 0.016 62.118 62.100 0.003 0.000 1.051 337 T CB -0.103 68.767 68.868 0.004 0.000 0.953 337 T HN 0.118 nan 8.240 nan 0.000 0.535 338 S N 1.593 117.291 115.700 -0.003 0.000 2.616 338 S HA 0.600 5.070 4.470 -0.001 0.000 0.277 338 S C 0.235 174.837 174.600 0.003 0.000 1.234 338 S CA -0.573 57.624 58.200 -0.006 0.000 1.028 338 S CB 1.069 64.259 63.200 -0.016 0.000 0.988 338 S HN 0.715 nan 8.310 nan 0.000 0.522 339 T N 0.047 114.602 114.554 0.002 0.000 2.926 339 T HA 0.776 5.125 4.350 -0.001 0.000 0.289 339 T C -0.582 174.127 174.700 0.014 0.000 1.054 339 T CA -0.767 61.344 62.100 0.019 0.000 1.015 339 T CB 1.347 70.229 68.868 0.023 0.000 1.167 339 T HN 0.562 nan 8.240 nan 0.000 0.526 340 V N 0.190 120.127 119.914 0.039 0.000 3.040 340 V HA 0.593 4.713 4.120 -0.001 0.000 0.312 340 V C -1.648 174.469 176.094 0.039 0.000 1.115 340 V CA -0.828 61.488 62.300 0.027 0.000 0.998 340 V CB 2.266 34.135 31.823 0.077 0.000 1.042 340 V HN 1.059 nan 8.190 nan 0.000 0.433 341 Q N 3.230 123.038 119.800 0.013 0.000 2.330 341 Q HA 0.736 5.075 4.340 -0.001 0.000 0.269 341 Q C -1.567 174.566 176.000 0.222 0.000 1.022 341 Q CA -0.643 55.231 55.803 0.119 0.000 0.796 341 Q CB 2.537 31.358 28.738 0.139 0.000 1.271 341 Q HN 0.565 nan 8.270 nan 0.000 0.450 342 V N 2.986 122.995 119.914 0.159 0.000 2.823 342 V HA 0.757 4.876 4.120 -0.001 0.000 0.312 342 V C -0.770 175.352 176.094 0.046 0.000 1.072 342 V CA -0.900 61.367 62.300 -0.055 0.000 0.937 342 V CB 1.400 32.863 31.823 -0.600 0.000 1.013 342 V HN 0.778 nan 8.190 nan 0.000 0.430 343 F N 0.303 120.089 119.950 -0.274 0.000 2.703 343 F HA 0.727 5.254 4.527 -0.001 0.000 0.308 343 F C -0.905 174.681 175.800 -0.356 0.000 1.126 343 F CA -0.628 57.231 58.000 -0.234 0.000 0.959 343 F CB 1.850 40.744 39.000 -0.177 0.000 1.297 343 F HN 0.462 nan 8.300 nan 0.000 0.441 344 T N 1.502 115.901 114.554 -0.259 0.000 2.786 344 T HA 0.275 4.625 4.350 -0.001 0.000 0.283 344 T C -1.156 173.338 174.700 -0.343 0.000 0.992 344 T CA -0.383 61.404 62.100 -0.522 0.000 0.954 344 T CB 0.581 69.018 68.868 -0.718 0.000 0.934 344 T HN 0.824 nan 8.240 nan 0.000 0.440 345 D N 3.600 123.713 120.400 -0.479 0.000 2.441 345 D HA 0.220 4.860 4.640 -0.001 0.000 0.243 345 D C 0.821 176.868 176.300 -0.422 0.000 1.257 345 D CA 0.105 53.902 54.000 -0.339 0.000 1.027 345 D CB 0.117 40.674 40.800 -0.405 0.000 1.084 345 D HN 0.450 nan 8.370 nan 0.000 0.514 346 S N 2.294 117.803 115.700 -0.317 0.000 2.503 346 S HA 0.002 4.471 4.470 -0.001 0.000 0.215 346 S C 1.322 175.681 174.600 -0.402 0.000 1.003 346 S CA -0.077 57.885 58.200 -0.397 0.000 0.910 346 S CB 0.209 63.338 63.200 -0.119 0.000 0.790 346 S HN 0.544 nan 8.310 nan 0.000 0.514 347 E N 0.458 120.547 120.200 -0.185 0.000 2.489 347 E HA 0.084 4.434 4.350 -0.001 0.000 0.193 347 E C -0.813 175.838 176.600 0.085 0.000 1.057 347 E CA -0.191 56.197 56.400 -0.019 0.000 0.866 347 E CB -0.125 29.595 29.700 0.033 0.000 0.916 347 E HN 0.545 nan 8.360 nan 0.000 0.500 348 Y N 0.385 120.702 120.300 0.029 0.000 3.078 348 Y HA -0.302 4.248 4.550 -0.001 0.000 0.202 348 Y C 1.058 176.945 175.900 -0.020 0.000 1.322 348 Y CA 0.324 58.426 58.100 0.003 0.000 1.118 348 Y CB -2.263 36.199 38.460 0.004 0.000 1.343 348 Y HN 0.206 nan 8.280 nan 0.000 0.499 349 Q N -0.249 119.592 119.800 0.069 0.000 2.378 349 Q HA 0.265 4.605 4.340 -0.001 0.000 0.216 349 Q C 0.362 176.245 176.000 -0.196 0.000 0.892 349 Q CA 0.093 55.909 55.803 0.022 0.000 0.931 349 Q CB 0.699 29.526 28.738 0.148 0.000 1.086 349 Q HN 0.510 nan 8.270 nan 0.000 0.528 350 L N 2.403 123.476 121.223 -0.251 0.000 2.312 350 L HA 0.355 4.695 4.340 -0.001 0.000 0.281 350 L C -2.208 174.519 176.870 -0.237 0.000 1.070 350 L CA -2.319 52.244 54.840 -0.461 0.000 0.805 350 L CB 0.892 42.616 42.059 -0.558 0.000 1.174 350 L HN -0.168 nan 8.230 nan 0.000 0.434 351 P HA -0.141 nan 4.420 nan 0.000 0.258 351 P C -1.038 176.319 177.300 0.096 0.000 1.172 351 P CA 0.232 63.336 63.100 0.006 0.000 0.762 351 P CB -0.022 31.717 31.700 0.065 0.000 0.764 352 Y N 3.961 124.270 120.300 0.016 0.000 2.531 352 Y HA 0.114 4.664 4.550 -0.001 0.000 0.347 352 Y C 1.292 177.196 175.900 0.007 0.000 1.024 352 Y CA 0.409 58.522 58.100 0.021 0.000 1.306 352 Y CB 0.450 38.943 38.460 0.055 0.000 1.149 352 Y HN 0.155 nan 8.280 nan 0.000 0.527 353 V N 6.996 126.745 119.914 -0.276 0.000 3.621 353 V HA 0.158 4.277 4.120 -0.001 0.000 0.285 353 V C 0.457 176.361 176.094 -0.316 0.000 1.346 353 V CA 0.220 62.364 62.300 -0.259 0.000 1.104 353 V CB -0.471 31.122 31.823 -0.383 0.000 0.913 353 V HN 0.580 nan 8.190 nan 0.000 0.432 354 L N 0.112 121.027 121.223 -0.513 0.000 2.468 354 L HA 0.569 4.909 4.340 -0.001 0.000 0.254 354 L C 1.461 178.286 176.870 -0.075 0.000 1.171 354 L CA 0.512 55.136 54.840 -0.361 0.000 0.809 354 L CB 0.222 41.967 42.059 -0.524 0.000 1.155 354 L HN 0.305 nan 8.230 nan 0.000 0.473 355 G N 0.497 109.231 108.800 -0.110 0.000 2.198 355 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.257 355 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.257 355 G C 0.384 175.292 174.900 0.013 0.000 1.042 355 G CA 0.375 45.435 45.100 -0.067 0.000 0.791 355 G HN 0.537 nan 8.290 nan 0.000 0.502 356 S N -0.548 115.175 115.700 0.038 0.000 2.855 356 S HA 0.587 5.056 4.470 -0.001 0.000 0.249 356 S C 1.454 175.976 174.600 -0.130 0.000 1.033 356 S CA 1.026 59.239 58.200 0.020 0.000 1.038 356 S CB 0.675 63.966 63.200 0.152 0.000 0.960 356 S HN 2.187 nan 8.310 nan 0.000 0.548 357 A N 1.509 124.289 122.820 -0.067 0.000 2.861 357 A HA -0.214 4.106 4.320 -0.001 0.000 0.261 357 A C 0.331 177.862 177.584 -0.089 0.000 1.351 357 A CA 0.881 52.877 52.037 -0.068 0.000 0.904 357 A CB -2.280 16.674 19.000 -0.077 0.000 1.076 357 A HN 0.674 nan 8.150 nan 0.000 0.729 358 H N 0.096 119.161 119.070 -0.008 0.000 2.745 358 H HA 0.298 4.853 4.556 -0.001 0.000 0.373 358 H C 0.945 176.294 175.328 0.034 0.000 1.226 358 H CA 0.856 56.913 56.048 0.014 0.000 1.435 358 H CB 0.364 30.141 29.762 0.024 0.000 1.461 358 H HN 0.741 nan 8.280 nan 0.000 0.616 359 Q N -0.874 119.038 119.800 0.186 0.000 2.180 359 Q HA 0.414 4.754 4.340 -0.001 0.000 0.241 359 Q C 0.582 176.644 176.000 0.103 0.000 0.970 359 Q CA -0.292 55.585 55.803 0.123 0.000 0.919 359 Q CB 1.681 30.480 28.738 0.102 0.000 1.222 359 Q HN 0.971 nan 8.270 nan 0.000 0.482 360 G N -0.497 108.347 108.800 0.072 0.000 2.159 360 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.170 360 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.170 360 G C 0.222 175.098 174.900 -0.040 0.000 1.007 360 G CA -0.371 44.749 45.100 0.035 0.000 0.672 360 G HN 0.608 nan 8.290 nan 0.000 0.507 361 C N 0.268 119.548 119.300 -0.033 0.000 2.827 361 C HA 0.556 5.016 4.460 -0.001 0.000 0.287 361 C C 1.610 176.424 174.990 -0.294 0.000 1.497 361 C CA -0.343 58.618 59.018 -0.095 0.000 2.161 361 C CB -0.330 27.385 27.740 -0.042 0.000 2.120 361 C HN 0.494 nan 8.230 nan 0.000 0.676 362 L N 2.149 123.221 121.223 -0.252 0.000 2.380 362 L HA 0.260 4.599 4.340 -0.001 0.000 0.273 362 L C -2.115 174.720 176.870 -0.057 0.000 1.138 362 L CA -1.239 53.395 54.840 -0.344 0.000 0.832 362 L CB 0.027 41.987 42.059 -0.165 0.000 1.124 362 L HN 0.391 nan 8.230 nan 0.000 0.454 363 P HA 0.038 nan 4.420 nan 0.000 0.265 363 P C -2.062 175.338 177.300 0.166 0.000 1.193 363 P CA -0.902 62.285 63.100 0.146 0.000 0.765 363 P CB 0.209 32.028 31.700 0.198 0.000 0.823 364 P HA -0.140 nan 4.420 nan 0.000 0.215 364 P C 0.256 177.537 177.300 -0.032 0.000 1.157 364 P CA 1.161 64.324 63.100 0.106 0.000 0.868 364 P CB -0.046 31.591 31.700 -0.106 0.000 0.788 365 F N 0.108 119.862 119.950 -0.327 0.000 2.420 365 F HA 0.246 4.773 4.527 -0.001 0.000 0.352 365 F C -1.629 174.124 175.800 -0.078 0.000 1.108 365 F CA -2.864 54.892 58.000 -0.405 0.000 1.162 365 F CB 0.789 39.480 39.000 -0.515 0.000 1.118 365 F HN -0.092 nan 8.300 nan 0.000 0.510 366 P HA -0.157 nan 4.420 nan 0.000 0.218 366 P C 1.024 178.292 177.300 -0.054 0.000 1.148 366 P CA 1.921 64.917 63.100 -0.174 0.000 0.822 366 P CB 0.062 31.653 31.700 -0.182 0.000 0.784 367 A N -1.142 121.487 122.820 -0.319 0.000 2.119 367 A HA -0.058 4.262 4.320 -0.001 0.000 0.217 367 A C 0.758 178.448 177.584 0.175 0.000 1.153 367 A CA 0.772 52.798 52.037 -0.018 0.000 0.692 367 A CB -1.011 18.037 19.000 0.079 0.000 0.799 367 A HN 0.111 nan 8.150 nan 0.000 0.458 368 D N -0.421 120.131 120.400 0.253 0.000 2.345 368 D HA 0.417 5.057 4.640 -0.001 0.000 0.247 368 D C -0.208 176.248 176.300 0.260 0.000 1.108 368 D CA 0.162 54.319 54.000 0.261 0.000 0.894 368 D CB 1.397 42.367 40.800 0.283 0.000 1.203 368 D HN -0.016 nan 8.370 nan 0.000 0.430 369 V N 2.508 122.554 119.914 0.220 0.000 2.612 369 V HA 0.560 4.680 4.120 -0.001 0.000 0.301 369 V C -0.131 176.126 176.094 0.271 0.000 1.046 369 V CA -0.745 61.680 62.300 0.208 0.000 0.946 369 V CB 0.955 32.828 31.823 0.083 0.000 1.003 369 V HN 0.446 nan 8.190 nan 0.000 0.459 370 F N 1.929 121.964 119.950 0.142 0.000 2.593 370 F HA 0.787 5.314 4.527 -0.001 0.000 0.320 370 F C -0.528 175.351 175.800 0.132 0.000 1.060 370 F CA -1.331 56.749 58.000 0.133 0.000 0.940 370 F CB 1.990 41.079 39.000 0.149 0.000 1.268 370 F HN 0.475 nan 8.300 nan 0.000 0.475 371 M N 3.549 123.247 119.600 0.163 0.000 2.209 371 M HA 0.507 4.987 4.480 -0.001 0.000 0.355 371 M C -1.339 175.044 176.300 0.139 0.000 1.171 371 M CA -0.851 54.482 55.300 0.054 0.000 1.069 371 M CB 1.461 34.105 32.600 0.074 0.000 1.622 371 M HN 0.620 nan 8.290 nan 0.000 0.459 372 V N 8.274 128.189 119.914 0.000 0.000 2.439 372 V HA 0.193 4.312 4.120 -0.001 0.000 0.271 372 V C -1.995 174.025 176.094 -0.122 0.000 1.040 372 V CA -1.159 61.084 62.300 -0.096 0.000 1.002 372 V CB 0.152 31.766 31.823 -0.348 0.000 1.000 372 V HN 0.762 nan 8.190 nan 0.000 0.477 373 P HA 0.065 nan 4.420 nan 0.000 0.271 373 P C -0.566 176.336 177.300 -0.663 0.000 1.238 373 P CA -0.162 62.652 63.100 -0.476 0.000 0.794 373 P CB 0.482 31.712 31.700 -0.784 0.000 0.959 374 Q N 0.226 119.641 119.800 -0.641 0.000 2.266 374 Q HA 0.286 4.625 4.340 -0.001 0.000 0.261 374 Q C -1.407 174.598 176.000 0.007 0.000 0.985 374 Q CA -0.828 54.550 55.803 -0.708 0.000 0.873 374 Q CB 0.680 28.700 28.738 -1.196 0.000 1.306 374 Q HN 0.361 nan 8.270 nan 0.000 0.447 375 Y N 1.366 121.676 120.300 0.016 0.000 2.336 375 Y HA 0.553 5.102 4.550 -0.001 0.000 0.335 375 Y C -0.290 175.651 175.900 0.069 0.000 1.046 375 Y CA 0.257 58.408 58.100 0.086 0.000 1.198 375 Y CB 1.147 39.659 38.460 0.087 0.000 1.182 375 Y HN 0.625 nan 8.280 nan 0.000 0.502 376 G N 5.810 114.309 108.800 -0.501 0.000 2.731 376 G HA2 0.491 4.451 3.960 -0.001 0.000 0.298 376 G HA3 0.491 4.451 3.960 -0.001 0.000 0.298 376 G C -2.243 172.405 174.900 -0.420 0.000 1.424 376 G CA -0.802 44.091 45.100 -0.345 0.000 1.029 376 G HN 0.741 nan 8.290 nan 0.000 0.518 377 Y N -0.111 120.005 120.300 -0.306 0.000 2.605 377 Y HA 0.839 5.389 4.550 -0.001 0.000 0.343 377 Y C -0.925 175.001 175.900 0.043 0.000 1.036 377 Y CA -1.636 56.363 58.100 -0.169 0.000 1.065 377 Y CB 1.589 39.992 38.460 -0.097 0.000 1.288 377 Y HN 0.459 nan 8.280 nan 0.000 0.481 378 L N 1.390 122.731 121.223 0.197 0.000 2.304 378 L HA 0.838 5.178 4.340 -0.001 0.000 0.268 378 L C -0.442 176.622 176.870 0.323 0.000 1.010 378 L CA -0.744 54.208 54.840 0.186 0.000 0.813 378 L CB 2.480 44.643 42.059 0.172 0.000 1.315 378 L HN 0.938 nan 8.230 nan 0.000 0.445 379 T N 0.005 114.743 114.554 0.307 0.000 2.812 379 T HA 0.356 4.706 4.350 -0.001 0.000 0.294 379 T C -1.045 173.821 174.700 0.277 0.000 1.159 379 T CA -0.714 61.590 62.100 0.340 0.000 1.008 379 T CB 1.602 70.723 68.868 0.422 0.000 1.289 379 T HN 0.222 nan 8.240 nan 0.000 0.514 380 L N 3.324 124.685 121.223 0.229 0.000 2.540 380 L HA 0.354 4.693 4.340 -0.001 0.000 0.276 380 L C -0.088 176.864 176.870 0.138 0.000 1.212 380 L CA 0.386 55.324 54.840 0.163 0.000 0.893 380 L CB -0.689 41.445 42.059 0.125 0.000 1.138 380 L HN 0.900 nan 8.230 nan 0.000 0.491 381 N N 1.698 120.461 118.700 0.105 0.000 2.329 381 N HA 0.336 5.075 4.740 -0.001 0.000 0.282 381 N C -1.271 174.242 175.510 0.005 0.000 1.198 381 N CA -0.802 52.274 53.050 0.043 0.000 0.790 381 N CB 0.952 39.509 38.487 0.117 0.000 1.579 381 N HN 0.422 nan 8.380 nan 0.000 0.475 382 N N 0.836 119.497 118.700 -0.065 0.000 3.044 382 N HA 0.392 5.131 4.740 -0.001 0.000 0.254 382 N C 0.554 175.985 175.510 -0.132 0.000 1.253 382 N CA 0.876 53.883 53.050 -0.072 0.000 0.944 382 N CB -0.229 38.211 38.487 -0.078 0.000 1.217 382 N HN 1.024 nan 8.380 nan 0.000 0.498 383 G N 1.831 110.545 108.800 -0.144 0.000 2.527 383 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.262 383 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.262 383 G C 0.828 175.508 174.900 -0.366 0.000 1.153 383 G CA 0.497 45.359 45.100 -0.397 0.000 0.954 383 G HN 0.718 nan 8.290 nan 0.000 0.552 384 S N 0.386 115.836 115.700 -0.418 0.000 2.496 384 S HA 0.287 4.756 4.470 -0.001 0.000 0.224 384 S C 1.107 175.630 174.600 -0.128 0.000 0.996 384 S CA 1.462 59.584 58.200 -0.130 0.000 0.927 384 S CB 0.163 63.329 63.200 -0.056 0.000 0.774 384 S HN 0.769 nan 8.310 nan 0.000 0.524 385 Q N 0.491 120.169 119.800 -0.202 0.000 2.185 385 Q HA 0.749 5.089 4.340 -0.001 0.000 0.225 385 Q C -0.461 175.292 176.000 -0.411 0.000 0.983 385 Q CA -0.512 55.117 55.803 -0.290 0.000 0.950 385 Q CB 1.326 29.932 28.738 -0.220 0.000 1.176 385 Q HN 0.473 nan 8.270 nan 0.000 0.510 386 A N 0.307 122.768 122.820 -0.599 0.000 2.350 386 A HA 0.694 5.014 4.320 -0.001 0.000 0.318 386 A C -0.789 176.625 177.584 -0.283 0.000 1.132 386 A CA -0.619 51.078 52.037 -0.567 0.000 0.811 386 A CB 1.072 19.415 19.000 -1.096 0.000 1.313 386 A HN 0.443 nan 8.150 nan 0.000 0.454 387 V N 0.064 119.886 119.914 -0.154 0.000 3.109 387 V HA 0.495 4.614 4.120 -0.001 0.000 0.317 387 V C 1.752 177.813 176.094 -0.054 0.000 1.074 387 V CA 0.299 62.551 62.300 -0.080 0.000 1.033 387 V CB 1.315 33.121 31.823 -0.028 0.000 1.111 387 V HN 1.163 nan 8.190 nan 0.000 0.458 388 G N 0.322 109.102 108.800 -0.033 0.000 2.471 388 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.219 388 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.219 388 G C 1.262 176.168 174.900 0.011 0.000 1.125 388 G CA 0.165 45.257 45.100 -0.014 0.000 0.775 388 G HN 0.653 nan 8.290 nan 0.000 0.548 389 R N 0.514 121.026 120.500 0.020 0.000 2.310 389 R HA 0.188 4.527 4.340 -0.001 0.000 0.202 389 R C 0.595 176.935 176.300 0.066 0.000 0.933 389 R CA -0.178 55.947 56.100 0.041 0.000 1.054 389 R CB 0.163 30.489 30.300 0.043 0.000 0.985 389 R HN 0.182 nan 8.270 nan 0.000 0.489 390 S N 0.390 116.134 115.700 0.074 0.000 2.589 390 S HA 0.149 4.618 4.470 -0.001 0.000 0.265 390 S C 0.175 174.846 174.600 0.119 0.000 1.342 390 S CA -0.042 58.239 58.200 0.134 0.000 1.005 390 S CB 1.288 64.593 63.200 0.175 0.000 0.909 390 S HN 0.049 nan 8.310 nan 0.000 0.555 391 S N 1.205 116.983 115.700 0.129 0.000 2.532 391 S HA 0.538 5.008 4.470 -0.001 0.000 0.299 391 S C -1.178 173.325 174.600 -0.162 0.000 1.105 391 S CA -0.575 57.566 58.200 -0.099 0.000 1.018 391 S CB 0.870 63.931 63.200 -0.232 0.000 1.021 391 S HN 0.526 nan 8.310 nan 0.000 0.483 392 F N 3.882 123.569 119.950 -0.439 0.000 2.427 392 F HA 0.619 5.146 4.527 -0.001 0.000 0.346 392 F C -1.536 173.942 175.800 -0.537 0.000 1.120 392 F CA -1.251 56.464 58.000 -0.476 0.000 1.033 392 F CB 0.450 39.191 39.000 -0.431 0.000 1.126 392 F HN 0.548 nan 8.300 nan 0.000 0.462 393 Y N 5.222 125.183 120.300 -0.564 0.000 2.341 393 Y HA 0.457 5.007 4.550 -0.001 0.000 0.338 393 Y C -0.284 175.140 175.900 -0.792 0.000 0.965 393 Y CA -0.954 56.797 58.100 -0.582 0.000 1.108 393 Y CB 1.673 39.876 38.460 -0.428 0.000 1.180 393 Y HN 0.721 nan 8.280 nan 0.000 0.458 394 C N 5.956 124.954 119.300 -0.504 0.000 2.281 394 C HA 0.406 4.866 4.460 -0.001 0.000 0.323 394 C C 0.824 175.824 174.990 0.016 0.000 1.270 394 C CA -0.731 58.004 59.018 -0.473 0.000 1.559 394 C CB -0.973 26.467 27.740 -0.501 0.000 2.239 394 C HN 0.976 nan 8.230 nan 0.000 0.488 395 L N 4.385 125.685 121.223 0.129 0.000 2.622 395 L HA 0.096 4.436 4.340 -0.001 0.000 0.233 395 L C 2.230 179.137 176.870 0.062 0.000 1.156 395 L CA 1.301 56.100 54.840 -0.069 0.000 0.866 395 L CB -0.466 41.179 42.059 -0.691 0.000 0.980 395 L HN 0.688 nan 8.230 nan 0.000 0.448 396 E N -1.644 118.746 120.200 0.316 0.000 2.371 396 E HA -0.134 4.216 4.350 -0.001 0.000 0.194 396 E C 1.347 178.042 176.600 0.159 0.000 1.012 396 E CA 0.516 57.107 56.400 0.318 0.000 0.860 396 E CB -0.089 29.828 29.700 0.362 0.000 0.811 396 E HN 0.548 nan 8.360 nan 0.000 0.502 397 Y N -0.073 120.219 120.300 -0.014 0.000 2.477 397 Y HA 0.079 4.629 4.550 -0.001 0.000 0.303 397 Y C -0.299 175.390 175.900 -0.353 0.000 1.202 397 Y CA -0.136 57.870 58.100 -0.156 0.000 1.282 397 Y CB -0.033 38.308 38.460 -0.199 0.000 1.071 397 Y HN -0.229 nan 8.280 nan 0.000 0.510 398 F N 1.339 121.034 119.950 -0.425 0.000 2.436 398 F HA 0.413 4.940 4.527 -0.001 0.000 0.340 398 F C -2.057 173.376 175.800 -0.611 0.000 1.113 398 F CA -3.118 54.473 58.000 -0.682 0.000 1.022 398 F CB 0.751 38.956 39.000 -1.326 0.000 1.128 398 F HN -0.070 nan 8.300 nan 0.000 0.466 399 P HA 0.122 nan 4.420 nan 0.000 0.262 399 P C -0.973 176.250 177.300 -0.128 0.000 1.199 399 P CA 0.001 62.992 63.100 -0.182 0.000 0.763 399 P CB 0.534 32.154 31.700 -0.134 0.000 0.790 400 S N 1.838 117.527 115.700 -0.019 0.000 2.548 400 S HA 0.397 4.867 4.470 -0.001 0.000 0.286 400 S C -0.810 173.887 174.600 0.162 0.000 1.098 400 S CA -0.992 57.290 58.200 0.137 0.000 0.930 400 S CB 1.683 65.047 63.200 0.274 0.000 1.070 400 S HN 0.431 nan 8.310 nan 0.000 0.480 401 Q N 1.964 121.890 119.800 0.210 0.000 2.294 401 Q HA 0.413 4.752 4.340 -0.001 0.000 0.257 401 Q C -1.002 175.101 176.000 0.172 0.000 0.955 401 Q CA -0.267 55.654 55.803 0.197 0.000 0.936 401 Q CB 0.580 29.490 28.738 0.286 0.000 1.188 401 Q HN 0.747 nan 8.270 nan 0.000 0.420 402 M N 4.302 123.982 119.600 0.133 0.000 2.209 402 M HA 0.339 4.819 4.480 -0.001 0.000 0.355 402 M C -1.179 175.185 176.300 0.108 0.000 1.171 402 M CA -0.676 54.688 55.300 0.107 0.000 1.069 402 M CB 0.979 33.624 32.600 0.076 0.000 1.622 402 M HN 0.445 nan 8.290 nan 0.000 0.459 403 L N 2.650 123.936 121.223 0.106 0.000 2.362 403 L HA 0.604 4.944 4.340 -0.001 0.000 0.275 403 L C -0.178 176.746 176.870 0.090 0.000 0.998 403 L CA -0.356 54.553 54.840 0.115 0.000 0.820 403 L CB 1.764 43.915 42.059 0.154 0.000 1.270 403 L HN 0.596 nan 8.230 nan 0.000 0.415 404 R N -0.102 120.445 120.500 0.079 0.000 2.606 404 R HA 0.651 4.991 4.340 -0.001 0.000 0.249 404 R C -0.525 175.816 176.300 0.069 0.000 1.127 404 R CA -0.538 55.598 56.100 0.060 0.000 1.133 404 R CB 1.021 31.348 30.300 0.046 0.000 1.243 404 R HN 0.639 nan 8.270 nan 0.000 0.558 405 T N 0.814 115.398 114.554 0.050 0.000 2.784 405 T HA 0.335 4.685 4.350 -0.001 0.000 0.291 405 T C 0.786 175.521 174.700 0.058 0.000 0.942 405 T CA 0.952 63.082 62.100 0.051 0.000 1.161 405 T CB 0.522 69.406 68.868 0.026 0.000 0.885 405 T HN 0.785 nan 8.240 nan 0.000 0.534 406 G N 3.553 112.400 108.800 0.079 0.000 2.211 406 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.201 406 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.201 406 G C 0.018 174.974 174.900 0.094 0.000 0.997 406 G CA -0.794 44.354 45.100 0.079 0.000 0.652 406 G HN 0.601 nan 8.290 nan 0.000 0.500 407 N N 1.651 120.417 118.700 0.109 0.000 2.508 407 N HA 0.598 5.338 4.740 -0.001 0.000 0.285 407 N C -0.135 175.480 175.510 0.175 0.000 1.144 407 N CA -0.123 53.004 53.050 0.127 0.000 0.978 407 N CB 1.161 39.723 38.487 0.125 0.000 1.180 407 N HN 0.682 nan 8.380 nan 0.000 0.484 408 N N -0.346 118.466 118.700 0.186 0.000 2.455 408 N HA 0.439 5.179 4.740 -0.001 0.000 0.278 408 N C -1.759 173.922 175.510 0.285 0.000 1.291 408 N CA -0.582 52.615 53.050 0.245 0.000 0.780 408 N CB 1.328 39.941 38.487 0.210 0.000 1.520 408 N HN 0.359 nan 8.380 nan 0.000 0.486 409 F N -0.013 120.031 119.950 0.156 0.000 2.520 409 F HA 0.531 5.058 4.527 -0.000 0.000 0.322 409 F C -0.690 175.211 175.800 0.167 0.000 1.103 409 F CA -0.454 57.640 58.000 0.157 0.000 0.926 409 F CB 2.030 41.136 39.000 0.176 0.000 1.154 409 F HN 0.569 nan 8.300 nan 0.000 0.453 410 Q N 5.113 124.543 119.800 -0.616 0.000 2.375 410 Q HA 0.613 4.952 4.340 -0.001 0.000 0.271 410 Q C -2.096 173.674 176.000 -0.382 0.000 1.074 410 Q CA -0.609 54.992 55.803 -0.336 0.000 0.808 410 Q CB 2.166 30.787 28.738 -0.194 0.000 1.327 410 Q HN 0.679 nan 8.270 nan 0.000 0.441 411 F N 1.050 120.868 119.950 -0.219 0.000 2.622 411 F HA 0.598 5.125 4.527 -0.001 0.000 0.318 411 F C -1.528 174.262 175.800 -0.017 0.000 1.135 411 F CA -0.251 57.679 58.000 -0.117 0.000 1.015 411 F CB 1.680 40.683 39.000 0.005 0.000 1.275 411 F HN 0.484 nan 8.300 nan 0.000 0.457 412 S N 5.177 120.369 115.700 -0.847 0.000 2.500 412 S HA 0.561 5.031 4.470 -0.001 0.000 0.301 412 S C -1.893 172.186 174.600 -0.869 0.000 1.092 412 S CA -0.555 57.244 58.200 -0.669 0.000 1.030 412 S CB 1.666 64.643 63.200 -0.372 0.000 1.031 412 S HN 0.623 nan 8.310 nan 0.000 0.483 413 Y N 1.353 121.225 120.300 -0.715 0.000 2.545 413 Y HA 0.638 5.188 4.550 -0.001 0.000 0.348 413 Y C -0.958 174.674 175.900 -0.447 0.000 1.002 413 Y CA -0.470 57.277 58.100 -0.589 0.000 1.039 413 Y CB 1.802 39.957 38.460 -0.508 0.000 1.271 413 Y HN 0.522 nan 8.280 nan 0.000 0.467 414 T N 6.313 120.092 114.554 -1.291 0.000 2.864 414 T HA 0.380 4.729 4.350 -0.001 0.000 0.299 414 T C -0.876 173.110 174.700 -1.190 0.000 1.011 414 T CA -0.432 61.098 62.100 -0.951 0.000 0.975 414 T CB -0.089 68.470 68.868 -0.515 0.000 0.962 414 T HN 0.453 nan 8.240 nan 0.000 0.448 415 F N 2.973 122.470 119.950 -0.756 0.000 2.595 415 F HA 0.136 4.663 4.527 -0.001 0.000 0.359 415 F C 1.627 177.238 175.800 -0.315 0.000 1.147 415 F CA -0.197 57.546 58.000 -0.429 0.000 1.341 415 F CB 0.602 39.436 39.000 -0.278 0.000 1.104 415 F HN 0.563 nan 8.300 nan 0.000 0.603 416 E N 0.654 120.864 120.200 0.017 0.000 2.622 416 E HA 0.175 4.525 4.350 -0.001 0.000 0.255 416 E C -1.186 175.396 176.600 -0.031 0.000 1.313 416 E CA -0.980 55.409 56.400 -0.017 0.000 1.011 416 E CB 0.346 30.067 29.700 0.035 0.000 1.173 416 E HN 0.356 nan 8.360 nan 0.000 0.601 417 D N 0.475 120.853 120.400 -0.038 0.000 2.358 417 D HA 0.226 4.865 4.640 -0.001 0.000 0.258 417 D C -1.137 175.134 176.300 -0.049 0.000 1.223 417 D CA 0.123 54.090 54.000 -0.055 0.000 0.886 417 D CB 1.194 41.975 40.800 -0.032 0.000 1.120 417 D HN 0.230 nan 8.370 nan 0.000 0.482 418 V N 4.566 124.421 119.914 -0.099 0.000 2.668 418 V HA 0.397 4.516 4.120 -0.001 0.000 0.304 418 V C -2.560 173.499 176.094 -0.058 0.000 1.071 418 V CA -2.217 60.053 62.300 -0.050 0.000 0.894 418 V CB 2.153 33.959 31.823 -0.028 0.000 1.008 418 V HN 0.341 nan 8.190 nan 0.000 0.425 419 P HA 0.076 nan 4.420 nan 0.000 0.263 419 P C -0.436 176.995 177.300 0.218 0.000 1.175 419 P CA 0.397 63.579 63.100 0.137 0.000 0.761 419 P CB 0.008 31.791 31.700 0.138 0.000 0.794 420 F N 1.342 121.384 119.950 0.154 0.000 2.628 420 F HA -0.015 4.511 4.527 -0.001 0.000 0.362 420 F C 1.751 177.665 175.800 0.191 0.000 1.148 420 F CA 0.656 58.766 58.000 0.184 0.000 1.352 420 F CB -0.093 38.991 39.000 0.139 0.000 1.081 420 F HN 0.430 nan 8.300 nan 0.000 0.605 421 H N 0.646 119.821 119.070 0.176 0.000 2.607 421 H HA 0.260 4.815 4.556 -0.001 0.000 0.367 421 H C -0.382 174.951 175.328 0.008 0.000 1.181 421 H CA -0.557 55.439 56.048 -0.086 0.000 1.402 421 H CB 0.761 30.231 29.762 -0.488 0.000 1.474 421 H HN 0.449 nan 8.280 nan 0.000 0.596 422 S N 2.753 117.841 115.700 -1.019 0.000 2.681 422 S HA 0.065 4.535 4.470 -0.001 0.000 0.313 422 S C 0.201 174.382 174.600 -0.698 0.000 1.137 422 S CA -0.367 57.348 58.200 -0.808 0.000 1.045 422 S CB 0.053 62.632 63.200 -1.034 0.000 1.208 422 S HN 0.596 nan 8.310 nan 0.000 0.523 423 S N 2.732 118.369 115.700 -0.105 0.000 2.763 423 S HA 0.202 4.671 4.470 -0.001 0.000 0.237 423 S C -0.065 174.593 174.600 0.097 0.000 0.966 423 S CA -0.443 57.814 58.200 0.095 0.000 1.017 423 S CB -0.591 62.786 63.200 0.294 0.000 0.780 423 S HN 0.803 nan 8.310 nan 0.000 0.476 424 Y N -1.586 118.595 120.300 -0.198 0.000 2.638 424 Y HA 0.886 5.435 4.550 -0.001 0.000 0.339 424 Y C -0.767 174.917 175.900 -0.361 0.000 1.084 424 Y CA -1.944 55.966 58.100 -0.317 0.000 1.068 424 Y CB 0.780 38.835 38.460 -0.675 0.000 1.294 424 Y HN -0.066 nan 8.280 nan 0.000 0.480 425 A N 1.248 123.934 122.820 -0.222 0.000 2.449 425 A HA 0.524 4.843 4.320 -0.001 0.000 0.302 425 A C -1.542 175.928 177.584 -0.190 0.000 1.048 425 A CA -0.910 50.957 52.037 -0.284 0.000 0.708 425 A CB 0.708 19.619 19.000 -0.149 0.000 1.274 425 A HN 0.862 nan 8.150 nan 0.000 0.410 426 H N 1.984 121.051 119.070 -0.005 0.000 2.803 426 H HA 0.127 4.683 4.556 -0.001 0.000 0.330 426 H C 1.249 176.572 175.328 -0.008 0.000 1.057 426 H CA 0.921 56.970 56.048 0.001 0.000 1.458 426 H CB 1.186 30.942 29.762 -0.009 0.000 1.470 426 H HN 0.776 nan 8.280 nan 0.000 0.560 427 S N 2.029 117.791 115.700 0.103 0.000 2.528 427 S HA 0.027 4.497 4.470 -0.001 0.000 0.219 427 S C 0.677 175.314 174.600 0.062 0.000 0.985 427 S CA -0.094 58.147 58.200 0.068 0.000 0.914 427 S CB 0.559 63.795 63.200 0.060 0.000 0.776 427 S HN 0.571 nan 8.310 nan 0.000 0.526 428 Q N 0.659 120.500 119.800 0.068 0.000 2.252 428 Q HA 0.656 4.996 4.340 -0.001 0.000 0.256 428 Q C -0.855 175.153 176.000 0.014 0.000 1.020 428 Q CA -0.628 55.194 55.803 0.031 0.000 0.913 428 Q CB 1.852 30.597 28.738 0.011 0.000 1.286 428 Q HN 0.305 nan 8.270 nan 0.000 0.480 429 S N -0.468 115.228 115.700 -0.007 0.000 2.638 429 S HA 0.380 4.850 4.470 -0.001 0.000 0.302 429 S C 0.716 175.297 174.600 -0.032 0.000 1.096 429 S CA -0.610 57.578 58.200 -0.021 0.000 0.953 429 S CB 0.893 64.088 63.200 -0.009 0.000 1.107 429 S HN 0.695 nan 8.310 nan 0.000 0.503 430 L N 1.452 122.654 121.223 -0.034 0.000 2.017 430 L HA -0.077 4.263 4.340 -0.001 0.000 0.208 430 L C 2.018 178.900 176.870 0.020 0.000 1.073 430 L CA 1.888 56.724 54.840 -0.006 0.000 0.745 430 L CB -0.342 41.722 42.059 0.008 0.000 0.894 430 L HN 0.827 nan 8.230 nan 0.000 0.432 431 D N -1.171 119.229 120.400 -0.000 0.000 2.289 431 D HA -0.123 4.517 4.640 -0.001 0.000 0.207 431 D C 0.948 177.240 176.300 -0.012 0.000 0.966 431 D CA 0.382 54.377 54.000 -0.009 0.000 0.868 431 D CB -0.065 40.719 40.800 -0.027 0.000 0.943 431 D HN 0.167 nan 8.370 nan 0.000 0.514 432 R N 0.980 121.475 120.500 -0.009 0.000 3.863 432 R HA 0.229 4.569 4.340 -0.001 0.000 0.304 432 R C 0.729 177.028 176.300 -0.001 0.000 1.485 432 R CA -0.258 55.837 56.100 -0.008 0.000 1.355 432 R CB 0.342 30.638 30.300 -0.006 0.000 1.457 432 R HN 0.215 nan 8.270 nan 0.000 0.669 433 L N 0.411 121.638 121.223 0.006 0.000 2.575 433 L HA 0.197 4.537 4.340 -0.001 0.000 0.228 433 L C 0.440 177.319 176.870 0.015 0.000 1.075 433 L CA 0.762 55.612 54.840 0.016 0.000 0.867 433 L CB 0.156 42.242 42.059 0.044 0.000 1.097 433 L HN 0.158 nan 8.230 nan 0.000 0.485 434 M N -0.717 118.884 119.600 0.002 0.000 1.801 434 M HA 0.215 4.695 4.480 -0.001 0.000 0.198 434 M C 0.445 176.739 176.300 -0.010 0.000 1.248 434 M CA -0.055 55.240 55.300 -0.009 0.000 0.893 434 M CB -0.817 31.764 32.600 -0.032 0.000 1.199 434 M HN -0.135 nan 8.290 nan 0.000 0.482 435 N N 0.478 119.168 118.700 -0.017 0.000 2.422 435 N HA 0.347 5.087 4.740 -0.001 0.000 0.266 435 N C -2.212 173.289 175.510 -0.015 0.000 1.007 435 N CA -1.677 51.365 53.050 -0.012 0.000 0.941 435 N CB 1.052 39.533 38.487 -0.009 0.000 1.115 435 N HN 0.325 nan 8.380 nan 0.000 0.492 436 P HA -0.011 nan 4.420 nan 0.000 0.225 436 P C 0.902 178.197 177.300 -0.009 0.000 1.148 436 P CA 0.642 63.736 63.100 -0.010 0.000 0.779 436 P CB 0.552 32.249 31.700 -0.006 0.000 0.780 437 L N -2.038 119.180 121.223 -0.007 0.000 2.316 437 L HA 0.126 4.466 4.340 -0.001 0.000 0.207 437 L C 1.085 177.952 176.870 -0.004 0.000 1.070 437 L CA 0.758 55.596 54.840 -0.005 0.000 0.820 437 L CB -0.422 41.635 42.059 -0.002 0.000 0.992 437 L HN -0.139 nan 8.230 nan 0.000 0.466 438 I N -0.414 120.152 120.570 -0.007 0.000 2.577 438 I HA 0.282 4.452 4.170 -0.001 0.000 0.305 438 I C -0.513 175.592 176.117 -0.020 0.000 0.986 438 I CA -0.833 60.464 61.300 -0.006 0.000 1.189 438 I CB 1.010 39.011 38.000 0.001 0.000 1.355 438 I HN -0.019 nan 8.210 nan 0.000 0.476 439 D N 2.936 123.325 120.400 -0.018 0.000 2.253 439 D HA 0.359 4.999 4.640 -0.001 0.000 0.249 439 D C 0.058 176.317 176.300 -0.068 0.000 1.049 439 D CA -0.404 53.573 54.000 -0.039 0.000 0.929 439 D CB 0.771 41.553 40.800 -0.030 0.000 1.176 439 D HN 0.338 nan 8.370 nan 0.000 0.437 440 Q N 0.249 119.977 119.800 -0.120 0.000 2.417 440 Q HA 0.137 4.477 4.340 -0.001 0.000 0.241 440 Q C 0.173 176.064 176.000 -0.182 0.000 1.008 440 Q CA -0.237 55.431 55.803 -0.225 0.000 0.901 440 Q CB 0.638 29.227 28.738 -0.248 0.000 1.259 440 Q HN 0.676 nan 8.270 nan 0.000 0.489 441 Y N -0.841 119.425 120.300 -0.057 0.000 2.457 441 Y HA 0.367 4.917 4.550 -0.001 0.000 0.263 441 Y C -0.061 175.820 175.900 -0.031 0.000 1.164 441 Y CA -0.494 57.580 58.100 -0.043 0.000 1.274 441 Y CB 0.295 38.761 38.460 0.010 0.000 1.097 441 Y HN 0.249 nan 8.280 nan 0.000 0.523 442 L N 0.905 122.094 121.223 -0.057 0.000 2.399 442 L HA 0.370 4.710 4.340 -0.001 0.000 0.265 442 L C -1.020 175.828 176.870 -0.037 0.000 1.089 442 L CA -0.944 53.934 54.840 0.063 0.000 0.802 442 L CB 0.934 42.983 42.059 -0.017 0.000 1.180 442 L HN 0.095 nan 8.230 nan 0.000 0.454 443 Y N 0.502 120.863 120.300 0.101 0.000 2.429 443 Y HA 0.461 5.010 4.550 -0.001 0.000 0.342 443 Y C -0.413 175.594 175.900 0.178 0.000 1.004 443 Y CA -0.573 57.582 58.100 0.093 0.000 1.075 443 Y CB 1.791 40.238 38.460 -0.021 0.000 1.214 443 Y HN 0.383 nan 8.280 nan 0.000 0.455 444 Y N 0.382 120.830 120.300 0.246 0.000 2.605 444 Y HA 0.735 5.284 4.550 -0.001 0.000 0.343 444 Y C -1.703 174.400 175.900 0.339 0.000 1.036 444 Y CA -1.752 56.482 58.100 0.223 0.000 1.065 444 Y CB 1.163 39.684 38.460 0.103 0.000 1.288 444 Y HN 0.546 nan 8.280 nan 0.000 0.481 445 L N 2.891 124.322 121.223 0.347 0.000 2.276 445 L HA 0.404 4.744 4.340 -0.001 0.000 0.286 445 L C 0.008 176.930 176.870 0.087 0.000 1.061 445 L CA -0.165 54.741 54.840 0.110 0.000 0.807 445 L CB 0.883 42.980 42.059 0.064 0.000 1.177 445 L HN 1.070 nan 8.230 nan 0.000 0.429 446 N N 2.185 120.852 118.700 -0.054 0.000 2.145 446 N HA 0.173 4.913 4.740 -0.001 0.000 0.219 446 N C -0.488 175.007 175.510 -0.025 0.000 1.266 446 N CA -0.647 52.432 53.050 0.048 0.000 0.902 446 N CB 0.642 39.203 38.487 0.124 0.000 1.078 446 N HN 0.312 nan 8.380 nan 0.000 0.513 447 R N 0.965 121.399 120.500 -0.111 0.000 2.502 447 R HA 0.263 4.602 4.340 -0.001 0.000 0.300 447 R C -0.004 176.208 176.300 -0.147 0.000 0.984 447 R CA -0.311 55.725 56.100 -0.107 0.000 0.882 447 R CB 1.479 31.718 30.300 -0.103 0.000 1.180 447 R HN 0.269 nan 8.270 nan 0.000 0.444 448 T N -1.786 112.709 114.554 -0.098 0.000 3.034 448 T HA -0.044 4.305 4.350 -0.001 0.000 0.248 448 T C 1.222 175.876 174.700 -0.076 0.000 1.040 448 T CA 0.486 62.528 62.100 -0.096 0.000 1.107 448 T CB 0.405 69.237 68.868 -0.060 0.000 0.932 448 T HN 0.586 nan 8.240 nan 0.000 0.474 449 Q N 0.969 120.733 119.800 -0.059 0.000 2.534 449 Q HA 0.371 4.710 4.340 -0.001 0.000 0.207 449 Q C 1.597 177.573 176.000 -0.041 0.000 0.735 449 Q CA -0.012 55.764 55.803 -0.045 0.000 0.904 449 Q CB -0.566 28.153 28.738 -0.032 0.000 1.294 449 Q HN 0.294 nan 8.270 nan 0.000 0.553 450 G N 2.264 111.043 108.800 -0.036 0.000 2.230 450 G HA2 0.196 4.156 3.960 -0.001 0.000 0.282 450 G HA3 0.196 4.156 3.960 -0.001 0.000 0.282 450 G C -0.308 174.573 174.900 -0.032 0.000 0.999 450 G CA 0.766 45.849 45.100 -0.029 0.000 1.326 450 G HN 0.363 nan 8.290 nan 0.000 0.397 451 T N 0.952 115.489 114.554 -0.028 0.000 2.849 451 T HA 0.307 4.657 4.350 -0.001 0.000 0.272 451 T C 1.026 175.715 174.700 -0.019 0.000 1.046 451 T CA -0.525 61.559 62.100 -0.027 0.000 0.983 451 T CB 0.543 69.394 68.868 -0.027 0.000 1.721 451 T HN 0.164 nan 8.240 nan 0.000 0.594 452 T N 2.729 117.274 114.554 -0.016 0.000 4.216 452 T HA 0.106 4.455 4.350 -0.001 0.000 0.221 452 T C 0.457 175.151 174.700 -0.011 0.000 0.939 452 T CA 0.129 62.222 62.100 -0.011 0.000 1.218 452 T CB -0.789 68.074 68.868 -0.009 0.000 1.266 452 T HN 0.494 nan 8.240 nan 0.000 0.917 453 S N 1.946 117.639 115.700 -0.011 0.000 2.429 453 S HA 0.483 4.952 4.470 -0.001 0.000 0.292 453 S C 1.147 175.742 174.600 -0.008 0.000 1.183 453 S CA 0.180 58.374 58.200 -0.010 0.000 1.088 453 S CB -0.124 63.069 63.200 -0.011 0.000 1.018 453 S HN 0.843 nan 8.310 nan 0.000 0.511 454 G N 3.583 112.378 108.800 -0.008 0.000 4.170 454 G HA2 0.161 4.120 3.960 -0.001 0.000 0.143 454 G HA3 0.161 4.120 3.960 -0.001 0.000 0.143 454 G C -0.295 174.602 174.900 -0.006 0.000 1.261 454 G CA -0.220 44.876 45.100 -0.006 0.000 1.043 454 G HN 0.583 nan 8.290 nan 0.000 0.382 455 T N 2.283 116.834 114.554 -0.006 0.000 2.794 455 T HA 0.498 4.848 4.350 -0.001 0.000 0.280 455 T C 0.346 175.042 174.700 -0.007 0.000 0.987 455 T CA 0.611 62.707 62.100 -0.006 0.000 0.993 455 T CB 1.348 70.213 68.868 -0.005 0.000 0.939 455 T HN 0.609 nan 8.240 nan 0.000 0.449 456 T N 3.656 118.206 114.554 -0.007 0.000 3.760 456 T HA -0.171 4.179 4.350 -0.001 0.000 0.366 456 T C 0.147 174.842 174.700 -0.009 0.000 0.761 456 T CA 0.548 62.643 62.100 -0.007 0.000 1.887 456 T CB -1.211 67.653 68.868 -0.006 0.000 1.811 456 T HN 0.621 nan 8.240 nan 0.000 0.749 457 N N 1.619 120.313 118.700 -0.010 0.000 2.841 457 N HA 0.117 4.857 4.740 -0.001 0.000 0.257 457 N C 1.412 176.913 175.510 -0.015 0.000 1.396 457 N CA -0.503 52.539 53.050 -0.013 0.000 0.823 457 N CB 1.292 39.771 38.487 -0.014 0.000 1.162 457 N HN 0.530 nan 8.380 nan 0.000 0.503 458 Q N 0.283 120.075 119.800 -0.015 0.000 1.984 458 Q HA 0.031 4.371 4.340 -0.001 0.000 0.196 458 Q C 0.253 176.241 176.000 -0.020 0.000 0.975 458 Q CA 0.921 56.715 55.803 -0.015 0.000 0.827 458 Q CB -0.198 28.532 28.738 -0.013 0.000 0.894 458 Q HN 0.320 nan 8.270 nan 0.000 0.438 459 S N -0.841 114.845 115.700 -0.023 0.000 2.550 459 S HA 0.761 5.230 4.470 -0.001 0.000 0.270 459 S C -1.031 173.547 174.600 -0.037 0.000 1.145 459 S CA -1.038 57.143 58.200 -0.031 0.000 0.852 459 S CB 3.072 66.255 63.200 -0.029 0.000 1.119 459 S HN 0.450 nan 8.310 nan 0.000 0.465 460 R N 1.069 121.537 120.500 -0.054 0.000 2.579 460 R HA 0.394 4.734 4.340 -0.001 0.000 0.260 460 R C -1.966 174.265 176.300 -0.115 0.000 1.103 460 R CA -0.751 55.310 56.100 -0.066 0.000 0.942 460 R CB 1.055 31.322 30.300 -0.055 0.000 1.251 460 R HN 0.806 nan 8.270 nan 0.000 0.450 461 L N 5.684 126.824 121.223 -0.137 0.000 2.325 461 L HA 0.393 4.733 4.340 -0.001 0.000 0.284 461 L C -0.468 176.141 176.870 -0.434 0.000 1.089 461 L CA -0.227 54.443 54.840 -0.284 0.000 0.836 461 L CB 0.593 42.530 42.059 -0.203 0.000 1.184 461 L HN 0.376 nan 8.230 nan 0.000 0.444 462 L N 4.126 125.013 121.223 -0.561 0.000 2.385 462 L HA 0.573 4.913 4.340 -0.001 0.000 0.273 462 L C -0.829 175.666 176.870 -0.624 0.000 0.990 462 L CA -0.420 54.145 54.840 -0.457 0.000 0.821 462 L CB 1.916 43.851 42.059 -0.207 0.000 1.279 462 L HN 0.336 nan 8.230 nan 0.000 0.412 463 F N 0.277 120.183 119.950 -0.073 0.000 2.522 463 F HA 0.582 5.109 4.527 -0.001 0.000 0.324 463 F C 0.380 176.124 175.800 -0.095 0.000 1.077 463 F CA -0.585 57.355 58.000 -0.100 0.000 0.944 463 F CB 2.197 41.165 39.000 -0.053 0.000 1.175 463 F HN 0.261 nan 8.300 nan 0.000 0.468 464 S N 0.668 116.275 115.700 -0.155 0.000 2.536 464 S HA 0.321 4.791 4.470 -0.001 0.000 0.298 464 S C -1.025 173.384 174.600 -0.318 0.000 1.083 464 S CA -0.868 57.194 58.200 -0.229 0.000 0.995 464 S CB 1.824 64.789 63.200 -0.390 0.000 1.058 464 S HN 0.638 nan 8.310 nan 0.000 0.488 465 Q N 2.116 121.751 119.800 -0.275 0.000 2.288 465 Q HA 0.543 4.883 4.340 -0.001 0.000 0.258 465 Q C -0.226 175.713 176.000 -0.101 0.000 0.957 465 Q CA -0.711 54.719 55.803 -0.622 0.000 0.919 465 Q CB 0.776 29.082 28.738 -0.719 0.000 1.185 465 Q HN 0.782 nan 8.270 nan 0.000 0.408 466 A N 3.395 126.253 122.820 0.063 0.000 2.565 466 A HA 0.460 4.780 4.320 -0.001 0.000 0.237 466 A C 0.329 177.914 177.584 0.002 0.000 1.053 466 A CA 0.775 52.892 52.037 0.134 0.000 0.755 466 A CB 0.092 19.085 19.000 -0.011 0.000 0.980 466 A HN 0.887 nan 8.150 nan 0.000 0.506 467 G N 1.084 109.894 108.800 0.017 0.000 2.818 467 G HA2 0.597 4.557 3.960 -0.001 0.000 0.286 467 G HA3 0.597 4.557 3.960 -0.001 0.000 0.286 467 G C -2.406 172.483 174.900 -0.018 0.000 1.364 467 G CA -1.025 44.071 45.100 -0.007 0.000 0.938 467 G HN 0.302 nan 8.290 nan 0.000 0.490 468 P HA -0.053 nan 4.420 nan 0.000 0.222 468 P C 1.512 178.804 177.300 -0.013 0.000 1.147 468 P CA 1.063 64.152 63.100 -0.018 0.000 0.790 468 P CB 0.309 32.002 31.700 -0.012 0.000 0.780 469 Q N -0.333 119.465 119.800 -0.003 0.000 2.096 469 Q HA -0.017 4.323 4.340 -0.001 0.000 0.197 469 Q C 1.080 177.081 176.000 0.002 0.000 0.964 469 Q CA 1.325 57.130 55.803 0.005 0.000 0.838 469 Q CB -0.471 28.277 28.738 0.016 0.000 0.906 469 Q HN 0.285 nan 8.270 nan 0.000 0.444 470 S N -0.021 115.682 115.700 0.005 0.000 3.983 470 S HA 0.218 4.688 4.470 -0.001 0.000 0.194 470 S C 0.837 175.384 174.600 -0.088 0.000 1.464 470 S CA -0.313 57.873 58.200 -0.023 0.000 1.021 470 S CB 0.149 63.368 63.200 0.032 0.000 1.424 470 S HN 0.221 nan 8.310 nan 0.000 0.473 471 M N 2.342 121.903 119.600 -0.065 0.000 2.156 471 M HA -0.060 4.420 4.480 -0.001 0.000 0.264 471 M C 1.817 178.062 176.300 -0.093 0.000 1.067 471 M CA 1.561 56.819 55.300 -0.071 0.000 1.131 471 M CB -0.060 32.513 32.600 -0.044 0.000 1.368 471 M HN 0.676 nan 8.290 nan 0.000 0.416 472 S N -0.732 114.912 115.700 -0.092 0.000 2.679 472 S HA 0.210 4.680 4.470 -0.001 0.000 0.233 472 S C 0.886 175.399 174.600 -0.146 0.000 0.951 472 S CA -0.297 57.844 58.200 -0.099 0.000 0.973 472 S CB -0.386 62.772 63.200 -0.071 0.000 0.778 472 S HN 0.566 nan 8.310 nan 0.000 0.477 473 L N -0.491 120.597 121.223 -0.226 0.000 2.993 473 L HA 0.310 4.649 4.340 -0.001 0.000 0.264 473 L C 0.655 177.223 176.870 -0.502 0.000 1.154 473 L CA -0.234 54.371 54.840 -0.393 0.000 0.972 473 L CB 0.173 41.902 42.059 -0.551 0.000 1.373 473 L HN 0.254 nan 8.230 nan 0.000 0.564 474 Q N 1.192 120.791 119.800 -0.335 0.000 2.432 474 Q HA 0.336 4.676 4.340 -0.001 0.000 0.264 474 Q C 0.507 176.391 176.000 -0.193 0.000 1.035 474 Q CA -0.098 55.547 55.803 -0.262 0.000 0.908 474 Q CB 0.970 29.607 28.738 -0.169 0.000 1.280 474 Q HN 0.273 nan 8.270 nan 0.000 0.455 475 A N 1.917 124.646 122.820 -0.151 0.000 2.520 475 A HA 0.196 4.516 4.320 -0.001 0.000 0.235 475 A C -0.040 177.474 177.584 -0.117 0.000 1.065 475 A CA 0.259 52.228 52.037 -0.114 0.000 0.764 475 A CB 0.305 19.247 19.000 -0.098 0.000 1.002 475 A HN 0.578 nan 8.150 nan 0.000 0.502 476 R N 0.331 120.764 120.500 -0.111 0.000 2.807 476 R HA 0.449 4.789 4.340 -0.001 0.000 0.276 476 R C 0.228 176.410 176.300 -0.197 0.000 0.979 476 R CA -0.618 55.415 56.100 -0.113 0.000 0.928 476 R CB 1.150 31.408 30.300 -0.069 0.000 1.191 476 R HN 0.735 nan 8.270 nan 0.000 0.471 477 N N 0.230 118.743 118.700 -0.312 0.000 2.250 477 N HA 0.163 4.903 4.740 -0.001 0.000 0.190 477 N C -1.021 173.879 175.510 -1.017 0.000 1.116 477 N CA 0.340 52.936 53.050 -0.757 0.000 0.881 477 N CB 0.456 38.332 38.487 -1.018 0.000 1.006 477 N HN 0.369 nan 8.380 nan 0.000 0.491 478 W N 0.081 121.380 121.300 -0.001 0.000 3.083 478 W HA 0.546 5.205 4.660 -0.001 0.000 0.333 478 W C -0.697 175.834 176.519 0.019 0.000 1.217 478 W CA -0.766 56.586 57.345 0.012 0.000 1.170 478 W CB 0.811 30.270 29.460 -0.001 0.000 1.437 478 W HN -0.371 nan 8.180 nan 0.000 0.557 479 L N 2.023 123.429 121.223 0.304 0.000 2.303 479 L HA 0.652 4.991 4.340 -0.001 0.000 0.266 479 L C -2.141 174.855 176.870 0.208 0.000 1.011 479 L CA -2.725 52.237 54.840 0.204 0.000 0.818 479 L CB 0.534 42.713 42.059 0.200 0.000 1.326 479 L HN 0.069 nan 8.230 nan 0.000 0.435 480 P HA 0.243 nan 4.420 nan 0.000 0.275 480 P C -0.116 177.342 177.300 0.264 0.000 1.266 480 P CA -0.372 62.828 63.100 0.168 0.000 0.793 480 P CB 0.442 32.191 31.700 0.082 0.000 1.074 481 G N 0.672 109.634 108.800 0.268 0.000 2.667 481 G HA2 0.308 4.267 3.960 -0.001 0.000 0.250 481 G HA3 0.308 4.267 3.960 -0.001 0.000 0.250 481 G C -2.281 172.684 174.900 0.109 0.000 1.212 481 G CA -0.933 44.314 45.100 0.246 0.000 0.874 481 G HN 0.363 nan 8.290 nan 0.000 0.561 482 P HA 0.208 nan 4.420 nan 0.000 0.273 482 P C 0.107 177.334 177.300 -0.123 0.000 1.258 482 P CA -0.028 62.944 63.100 -0.212 0.000 0.802 482 P CB 0.597 32.061 31.700 -0.394 0.000 1.040 483 C N -1.857 117.351 119.300 -0.154 0.000 3.285 483 C HA 0.706 5.166 4.460 -0.001 0.000 0.325 483 C C -1.718 173.297 174.990 0.041 0.000 1.304 483 C CA -0.722 58.277 59.018 -0.032 0.000 1.319 483 C CB 0.698 28.460 27.740 0.037 0.000 1.640 483 C HN 0.604 nan 8.230 nan 0.000 0.477 484 Y N 1.715 121.973 120.300 -0.070 0.000 2.379 484 Y HA 0.491 5.041 4.550 -0.001 0.000 0.342 484 Y C 0.338 176.224 175.900 -0.023 0.000 1.126 484 Y CA -0.328 57.740 58.100 -0.054 0.000 1.310 484 Y CB 0.512 38.947 38.460 -0.042 0.000 1.115 484 Y HN 1.055 nan 8.280 nan 0.000 0.505 485 R N 3.698 124.081 120.500 -0.195 0.000 2.500 485 R HA 0.017 4.356 4.340 -0.001 0.000 0.281 485 R C -0.476 175.746 176.300 -0.130 0.000 0.953 485 R CA 0.809 56.827 56.100 -0.137 0.000 1.108 485 R CB 0.494 30.701 30.300 -0.155 0.000 0.901 485 R HN 0.609 nan 8.270 nan 0.000 0.410 486 Q N 2.318 122.076 119.800 -0.070 0.000 2.297 486 Q HA 0.141 4.480 4.340 -0.001 0.000 0.268 486 Q C -0.828 175.110 176.000 -0.104 0.000 1.045 486 Q CA -0.939 54.811 55.803 -0.088 0.000 0.861 486 Q CB 1.834 30.517 28.738 -0.093 0.000 1.344 486 Q HN 0.515 nan 8.270 nan 0.000 0.452 487 Q N 1.230 120.964 119.800 -0.111 0.000 2.327 487 Q HA 0.139 4.479 4.340 -0.001 0.000 0.254 487 Q C -0.760 175.178 176.000 -0.103 0.000 0.952 487 Q CA 0.149 55.902 55.803 -0.083 0.000 0.884 487 Q CB 0.752 29.487 28.738 -0.005 0.000 1.224 487 Q HN 0.386 nan 8.270 nan 0.000 0.422 488 R N 3.129 123.570 120.500 -0.098 0.000 2.308 488 R HA 0.419 4.759 4.340 -0.001 0.000 0.305 488 R C -1.216 175.044 176.300 -0.066 0.000 1.053 488 R CA -0.384 55.654 56.100 -0.104 0.000 0.957 488 R CB 0.295 30.511 30.300 -0.140 0.000 1.022 488 R HN 0.531 nan 8.270 nan 0.000 0.461 489 L N 2.083 123.186 121.223 -0.199 0.000 2.354 489 L HA 0.428 4.768 4.340 -0.001 0.000 0.269 489 L C -0.235 176.600 176.870 -0.058 0.000 1.005 489 L CA -0.171 54.534 54.840 -0.225 0.000 0.819 489 L CB 2.040 43.692 42.059 -0.677 0.000 1.311 489 L HN 0.586 nan 8.230 nan 0.000 0.423 490 S N 0.237 116.000 115.700 0.104 0.000 2.549 490 S HA 0.434 4.904 4.470 -0.001 0.000 0.297 490 S C 0.772 175.454 174.600 0.137 0.000 1.115 490 S CA -0.578 57.638 58.200 0.026 0.000 1.059 490 S CB 1.038 64.209 63.200 -0.049 0.000 1.046 490 S HN 0.644 nan 8.310 nan 0.000 0.506 491 K N 1.325 121.780 120.400 0.092 0.000 2.288 491 K HA 0.026 4.346 4.320 -0.001 0.000 0.201 491 K C 0.224 176.835 176.600 0.017 0.000 1.048 491 K CA 0.692 57.033 56.287 0.091 0.000 0.956 491 K CB -0.224 32.275 32.500 -0.002 0.000 0.746 491 K HN 0.496 nan 8.250 nan 0.000 0.461 492 T N 1.872 116.407 114.554 -0.032 0.000 2.738 492 T HA 0.179 4.529 4.350 -0.001 0.000 0.293 492 T C 0.598 175.309 174.700 0.018 0.000 0.913 492 T CA -0.288 61.798 62.100 -0.022 0.000 1.103 492 T CB 1.234 70.072 68.868 -0.050 0.000 0.880 492 T HN 0.146 nan 8.240 nan 0.000 0.526 493 A N 3.890 126.725 122.820 0.025 0.000 2.223 493 A HA 0.045 4.365 4.320 -0.001 0.000 0.222 493 A C 1.613 179.223 177.584 0.043 0.000 1.317 493 A CA 0.103 52.164 52.037 0.041 0.000 0.985 493 A CB -0.671 18.347 19.000 0.030 0.000 0.858 493 A HN 0.948 nan 8.150 nan 0.000 0.496 494 N N -2.655 116.070 118.700 0.043 0.000 2.067 494 N HA -0.029 4.711 4.740 -0.001 0.000 0.227 494 N C -0.331 175.213 175.510 0.057 0.000 1.348 494 N CA 0.250 53.327 53.050 0.045 0.000 0.879 494 N CB 0.098 38.603 38.487 0.030 0.000 1.109 494 N HN 0.113 nan 8.380 nan 0.000 0.501 495 D N 1.025 121.466 120.400 0.068 0.000 2.277 495 D HA 0.068 4.708 4.640 -0.001 0.000 0.208 495 D C 0.182 176.551 176.300 0.115 0.000 0.962 495 D CA 0.674 54.734 54.000 0.099 0.000 0.865 495 D CB 0.014 40.894 40.800 0.132 0.000 0.939 495 D HN 0.268 nan 8.370 nan 0.000 0.510 496 N N 1.110 119.882 118.700 0.121 0.000 2.445 496 N HA 0.013 4.753 4.740 -0.001 0.000 0.264 496 N C 0.060 175.643 175.510 0.123 0.000 1.227 496 N CA -0.276 52.865 53.050 0.151 0.000 0.963 496 N CB 0.395 39.011 38.487 0.214 0.000 1.188 496 N HN 0.027 nan 8.380 nan 0.000 0.491 497 N N 0.858 119.627 118.700 0.116 0.000 2.513 497 N HA -0.088 4.652 4.740 -0.001 0.000 0.268 497 N C -0.259 175.340 175.510 0.148 0.000 1.180 497 N CA 0.234 53.324 53.050 0.066 0.000 0.948 497 N CB 0.086 38.525 38.487 -0.080 0.000 1.083 497 N HN 0.450 nan 8.380 nan 0.000 0.455 498 N N 1.878 120.633 118.700 0.093 0.000 3.193 498 N HA -0.024 4.715 4.740 -0.001 0.000 0.312 498 N C -1.039 174.537 175.510 0.110 0.000 1.261 498 N CA -0.164 52.943 53.050 0.094 0.000 1.208 498 N CB -0.123 38.399 38.487 0.058 0.000 1.471 498 N HN 0.493 nan 8.380 nan 0.000 0.548 499 S N 0.314 116.127 115.700 0.188 0.000 2.537 499 S HA 0.196 4.665 4.470 -0.001 0.000 0.270 499 S C -0.953 173.834 174.600 0.313 0.000 1.142 499 S CA -1.124 57.202 58.200 0.209 0.000 0.870 499 S CB 1.428 64.733 63.200 0.174 0.000 1.112 499 S HN 0.245 nan 8.310 nan 0.000 0.466 500 N N 1.338 120.151 118.700 0.187 0.000 2.439 500 N HA 0.431 5.170 4.740 -0.001 0.000 0.243 500 N C -0.398 175.209 175.510 0.161 0.000 1.088 500 N CA -0.846 52.259 53.050 0.091 0.000 0.940 500 N CB -0.315 38.199 38.487 0.044 0.000 1.180 500 N HN 0.677 nan 8.380 nan 0.000 0.505 501 F N 1.791 121.780 119.950 0.065 0.000 2.805 501 F HA 0.550 5.076 4.527 -0.001 0.000 0.317 501 F C -2.022 173.838 175.800 0.099 0.000 1.146 501 F CA -1.601 56.441 58.000 0.070 0.000 1.265 501 F CB 0.671 39.691 39.000 0.032 0.000 0.992 501 F HN 0.242 nan 8.300 nan 0.000 0.511 502 P HA -0.035 nan 4.420 nan 0.000 0.249 502 P C 0.617 178.063 177.300 0.244 0.000 1.241 502 P CA 1.005 64.109 63.100 0.007 0.000 0.781 502 P CB -0.093 31.586 31.700 -0.035 0.000 1.088 503 W N -0.521 120.805 121.300 0.042 0.000 3.900 503 W HA 0.027 4.687 4.660 -0.001 0.000 0.186 503 W C 0.504 177.063 176.519 0.066 0.000 1.082 503 W CA 0.663 58.033 57.345 0.042 0.000 1.537 503 W CB 0.017 29.482 29.460 0.008 0.000 0.639 503 W HN -0.108 nan 8.180 nan 0.000 0.912 504 T N -0.681 113.936 114.554 0.106 0.000 3.100 504 T HA 0.346 4.696 4.350 -0.001 0.000 0.253 504 T C 1.165 175.865 174.700 -0.001 0.000 1.118 504 T CA 0.955 63.057 62.100 0.003 0.000 1.058 504 T CB 0.364 69.304 68.868 0.120 0.000 0.953 504 T HN 0.085 nan 8.240 nan 0.000 0.515 505 A N 0.205 123.073 122.820 0.080 0.000 2.600 505 A HA 0.831 5.151 4.320 -0.001 0.000 0.252 505 A C 0.993 178.625 177.584 0.080 0.000 1.200 505 A CA -0.024 52.061 52.037 0.081 0.000 0.981 505 A CB 0.148 19.237 19.000 0.149 0.000 1.207 505 A HN 0.613 nan 8.150 nan 0.000 0.577 506 A N 0.298 123.163 122.820 0.074 0.000 2.302 506 A HA 0.629 4.949 4.320 -0.001 0.000 0.285 506 A C 0.365 177.981 177.584 0.054 0.000 1.105 506 A CA -0.181 51.930 52.037 0.124 0.000 0.816 506 A CB 0.250 19.415 19.000 0.275 0.000 1.067 506 A HN 0.299 nan 8.150 nan 0.000 0.489 507 S N 1.397 117.175 115.700 0.130 0.000 2.510 507 S HA 0.380 4.850 4.470 -0.001 0.000 0.279 507 S C -0.008 174.717 174.600 0.209 0.000 1.284 507 S CA -0.161 58.133 58.200 0.156 0.000 1.059 507 S CB -0.001 63.321 63.200 0.203 0.000 0.901 507 S HN 0.636 nan 8.310 nan 0.000 0.491 508 K N 1.668 122.149 120.400 0.136 0.000 2.509 508 K HA 0.598 4.918 4.320 -0.001 0.000 0.266 508 K C -1.351 175.326 176.600 0.128 0.000 0.987 508 K CA -1.067 55.234 56.287 0.024 0.000 0.868 508 K CB 1.345 33.699 32.500 -0.243 0.000 1.421 508 K HN 0.563 nan 8.250 nan 0.000 0.444 509 Y N -1.514 118.818 120.300 0.053 0.000 2.630 509 Y HA 0.620 5.169 4.550 -0.001 0.000 0.337 509 Y C -0.689 175.286 175.900 0.125 0.000 1.051 509 Y CA -1.021 57.117 58.100 0.065 0.000 1.121 509 Y CB 1.533 39.981 38.460 -0.019 0.000 1.299 509 Y HN 0.751 nan 8.280 nan 0.000 0.498 510 H N 1.751 120.961 119.070 0.234 0.000 2.865 510 H HA 0.628 5.183 4.556 -0.001 0.000 0.362 510 H C -2.393 173.064 175.328 0.216 0.000 1.114 510 H CA -1.183 54.947 56.048 0.137 0.000 1.208 510 H CB 1.618 31.416 29.762 0.059 0.000 1.727 510 H HN 0.885 nan 8.280 nan 0.000 0.534 511 L N 3.499 124.765 121.223 0.072 0.000 2.385 511 L HA 0.236 4.576 4.340 -0.001 0.000 0.273 511 L C 0.543 177.464 176.870 0.085 0.000 0.990 511 L CA -0.850 53.990 54.840 -0.001 0.000 0.821 511 L CB 1.546 43.672 42.059 0.111 0.000 1.279 511 L HN 0.839 nan 8.230 nan 0.000 0.412 512 N N 2.374 121.108 118.700 0.056 0.000 2.741 512 N HA -0.185 4.555 4.740 -0.001 0.000 0.250 512 N C 0.697 176.307 175.510 0.166 0.000 1.115 512 N CA 1.331 54.442 53.050 0.101 0.000 0.724 512 N CB -0.614 37.928 38.487 0.091 0.000 1.090 512 N HN 1.123 nan 8.380 nan 0.000 0.558 513 G N -0.356 108.630 108.800 0.310 0.000 2.176 513 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.252 513 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.252 513 G C -0.145 174.901 174.900 0.244 0.000 1.024 513 G CA 0.526 45.817 45.100 0.319 0.000 0.755 513 G HN 0.722 nan 8.290 nan 0.000 0.507 514 R N 0.495 121.166 120.500 0.284 0.000 2.451 514 R HA 0.370 4.709 4.340 -0.001 0.000 0.307 514 R C -1.136 175.278 176.300 0.190 0.000 0.965 514 R CA -0.842 55.379 56.100 0.201 0.000 0.865 514 R CB 0.763 31.164 30.300 0.169 0.000 1.174 514 R HN 0.088 nan 8.270 nan 0.000 0.455 515 D N 1.754 122.255 120.400 0.168 0.000 2.425 515 D HA 0.134 4.773 4.640 -0.001 0.000 0.247 515 D C -0.710 175.619 176.300 0.048 0.000 1.147 515 D CA 0.808 54.870 54.000 0.104 0.000 0.879 515 D CB 1.491 42.376 40.800 0.141 0.000 1.179 515 D HN 0.374 nan 8.370 nan 0.000 0.456 516 S N 1.526 117.062 115.700 -0.273 0.000 2.571 516 S HA 0.285 4.755 4.470 -0.001 0.000 0.284 516 S C -0.613 173.707 174.600 -0.468 0.000 1.128 516 S CA -0.760 57.202 58.200 -0.397 0.000 0.970 516 S CB 1.800 64.573 63.200 -0.712 0.000 1.039 516 S HN 0.292 nan 8.310 nan 0.000 0.485 517 L N 3.922 125.065 121.223 -0.135 0.000 2.418 517 L HA 0.337 4.677 4.340 -0.001 0.000 0.274 517 L C -0.360 176.471 176.870 -0.065 0.000 1.135 517 L CA 0.111 54.892 54.840 -0.100 0.000 0.870 517 L CB 0.533 42.574 42.059 -0.030 0.000 1.154 517 L HN 0.522 nan 8.230 nan 0.000 0.462 518 V N 6.895 126.842 119.914 0.055 0.000 2.242 518 V HA 0.025 4.145 4.120 -0.001 0.000 0.242 518 V C 1.237 177.420 176.094 0.148 0.000 1.240 518 V CA 0.023 62.440 62.300 0.195 0.000 1.211 518 V CB -0.687 31.292 31.823 0.260 0.000 1.338 518 V HN 0.918 nan 8.190 nan 0.000 0.499 519 N N 6.360 125.079 118.700 0.033 0.000 2.054 519 N HA 0.011 4.750 4.740 -0.001 0.000 0.193 519 N C -1.814 173.836 175.510 0.233 0.000 1.066 519 N CA 0.797 53.861 53.050 0.023 0.000 0.853 519 N CB -0.425 38.034 38.487 -0.047 0.000 1.048 519 N HN 0.366 nan 8.380 nan 0.000 0.431 520 P HA 0.277 nan 4.420 nan 0.000 0.251 520 P C -0.242 177.137 177.300 0.131 0.000 1.718 520 P CA -0.378 62.810 63.100 0.147 0.000 1.119 520 P CB 0.810 32.575 31.700 0.108 0.000 1.762 521 G N 4.633 113.525 108.800 0.152 0.000 2.479 521 G HA2 0.235 4.194 3.960 -0.001 0.000 0.275 521 G HA3 0.235 4.194 3.960 -0.001 0.000 0.275 521 G C -2.250 172.690 174.900 0.066 0.000 1.421 521 G CA -1.198 43.962 45.100 0.100 0.000 1.059 521 G HN 0.216 nan 8.290 nan 0.000 0.535 522 P HA 0.204 nan 4.420 nan 0.000 0.269 522 P C -0.182 177.143 177.300 0.042 0.000 1.205 522 P CA 0.274 63.368 63.100 -0.010 0.000 0.780 522 P CB 0.312 31.971 31.700 -0.067 0.000 0.858 523 A N 3.536 126.383 122.820 0.046 0.000 2.473 523 A HA 0.357 4.677 4.320 -0.001 0.000 0.282 523 A C 0.123 177.761 177.584 0.089 0.000 1.163 523 A CA 0.364 52.459 52.037 0.097 0.000 0.827 523 A CB -0.974 18.112 19.000 0.143 0.000 1.098 523 A HN 0.421 nan 8.150 nan 0.000 0.515 524 M N 2.065 121.722 119.600 0.096 0.000 2.644 524 M HA 0.587 5.067 4.480 -0.001 0.000 0.304 524 M C 0.234 176.588 176.300 0.090 0.000 1.215 524 M CA -0.545 54.808 55.300 0.089 0.000 0.871 524 M CB 2.242 34.891 32.600 0.083 0.000 1.740 524 M HN 0.636 nan 8.290 nan 0.000 0.464 525 A N 0.895 123.757 122.820 0.070 0.000 2.425 525 A HA 0.354 4.674 4.320 -0.001 0.000 0.249 525 A C 0.785 178.414 177.584 0.075 0.000 1.084 525 A CA -0.258 51.810 52.037 0.051 0.000 0.781 525 A CB 0.261 19.263 19.000 0.004 0.000 1.019 525 A HN 0.925 nan 8.150 nan 0.000 0.490 526 S N 0.651 116.417 115.700 0.110 0.000 2.371 526 S HA -0.008 4.461 4.470 -0.001 0.000 0.224 526 S C 0.749 175.513 174.600 0.273 0.000 1.029 526 S CA 1.510 59.841 58.200 0.219 0.000 0.978 526 S CB -0.281 63.120 63.200 0.335 0.000 0.833 526 S HN 0.957 nan 8.310 nan 0.000 0.466 527 H N 0.277 119.415 119.070 0.114 0.000 3.016 527 H HA 0.507 5.063 4.556 -0.001 0.000 0.362 527 H C -1.034 174.345 175.328 0.085 0.000 1.233 527 H CA -1.211 54.906 56.048 0.116 0.000 1.124 527 H CB 0.947 30.807 29.762 0.162 0.000 1.850 527 H HN 0.130 nan 8.280 nan 0.000 0.549 528 K N 0.991 121.452 120.400 0.103 0.000 2.117 528 K HA 0.200 4.519 4.320 -0.001 0.000 0.240 528 K C -0.621 176.034 176.600 0.092 0.000 1.031 528 K CA -0.692 55.614 56.287 0.032 0.000 0.909 528 K CB 0.611 33.132 32.500 0.035 0.000 1.097 528 K HN 0.342 nan 8.250 nan 0.000 0.492 529 D N 1.079 121.511 120.400 0.054 0.000 2.443 529 D HA 0.008 4.648 4.640 -0.001 0.000 0.239 529 D C -0.409 175.963 176.300 0.120 0.000 1.136 529 D CA 0.904 54.952 54.000 0.081 0.000 0.879 529 D CB 0.227 41.053 40.800 0.043 0.000 1.195 529 D HN 0.602 nan 8.370 nan 0.000 0.443 530 D N 1.361 121.843 120.400 0.136 0.000 2.835 530 D HA -0.155 4.484 4.640 -0.001 0.000 0.230 530 D C 0.585 176.970 176.300 0.142 0.000 1.130 530 D CA 0.860 54.930 54.000 0.117 0.000 0.738 530 D CB -0.651 40.199 40.800 0.082 0.000 1.090 530 D HN 0.599 nan 8.370 nan 0.000 0.433 531 E N -0.547 119.772 120.200 0.198 0.000 3.555 531 E HA 0.086 4.436 4.350 -0.001 0.000 0.187 531 E C 0.439 177.063 176.600 0.039 0.000 1.267 531 E CA -0.144 56.371 56.400 0.192 0.000 1.353 531 E CB 0.344 30.244 29.700 0.334 0.000 2.031 531 E HN 0.048 nan 8.360 nan 0.000 0.522 532 E N 0.888 121.000 120.200 -0.146 0.000 2.586 532 E HA -0.257 4.093 4.350 -0.001 0.000 0.259 532 E C 0.261 176.674 176.600 -0.312 0.000 1.107 532 E CA 1.452 57.528 56.400 -0.540 0.000 0.754 532 E CB -1.136 28.456 29.700 -0.179 0.000 1.335 532 E HN 0.391 nan 8.360 nan 0.000 0.411 533 K N -1.822 118.435 120.400 -0.239 0.000 2.574 533 K HA 0.161 4.481 4.320 -0.001 0.000 0.215 533 K C 0.040 176.496 176.600 -0.240 0.000 1.485 533 K CA -0.160 55.969 56.287 -0.263 0.000 1.006 533 K CB 0.207 32.477 32.500 -0.384 0.000 1.254 533 K HN 0.032 nan 8.250 nan 0.000 0.580 534 F N 3.563 123.538 119.950 0.043 0.000 2.390 534 F HA 0.361 4.888 4.527 -0.001 0.000 0.361 534 F C -0.050 175.833 175.800 0.137 0.000 1.124 534 F CA -1.312 56.731 58.000 0.072 0.000 1.149 534 F CB 0.592 39.610 39.000 0.030 0.000 1.160 534 F HN 0.014 nan 8.300 nan 0.000 0.501 535 F N 3.161 123.206 119.950 0.158 0.000 2.470 535 F HA 0.826 5.353 4.527 -0.001 0.000 0.329 535 F C -3.007 172.862 175.800 0.115 0.000 1.072 535 F CA -3.622 54.452 58.000 0.123 0.000 0.989 535 F CB 0.496 39.535 39.000 0.064 0.000 1.193 535 F HN 0.110 nan 8.300 nan 0.000 0.481 536 P HA 0.108 nan 4.420 nan 0.000 0.271 536 P C -0.453 176.722 177.300 -0.208 0.000 1.218 536 P CA -0.426 62.614 63.100 -0.099 0.000 0.780 536 P CB 0.737 32.444 31.700 0.012 0.000 0.901 537 M N 4.985 124.405 119.600 -0.299 0.000 2.734 537 M HA -0.049 4.430 4.480 -0.001 0.000 0.356 537 M C 0.924 176.891 176.300 -0.554 0.000 1.790 537 M CA 0.719 55.830 55.300 -0.316 0.000 1.231 537 M CB -1.302 31.128 32.600 -0.283 0.000 2.102 537 M HN 0.559 nan 8.290 nan 0.000 0.463 538 H N 1.166 120.341 119.070 0.175 0.000 2.690 538 H HA -0.188 4.368 4.556 -0.001 0.000 0.309 538 H C 0.428 175.838 175.328 0.137 0.000 1.138 538 H CA 0.471 56.612 56.048 0.156 0.000 1.142 538 H CB -2.193 27.634 29.762 0.108 0.000 1.410 538 H HN 0.916 nan 8.280 nan 0.000 0.409 539 G N 0.916 109.781 108.800 0.109 0.000 3.262 539 G HA2 0.106 4.066 3.960 -0.001 0.000 0.228 539 G HA3 0.106 4.066 3.960 -0.001 0.000 0.228 539 G C 0.357 175.354 174.900 0.161 0.000 1.197 539 G CA 0.326 45.498 45.100 0.121 0.000 0.819 539 G HN 0.917 nan 8.290 nan 0.000 0.531 540 N N -1.198 117.600 118.700 0.164 0.000 3.322 540 N HA 0.112 4.851 4.740 -0.001 0.000 0.233 540 N C -1.729 173.797 175.510 0.027 0.000 1.399 540 N CA -0.843 52.276 53.050 0.115 0.000 0.894 540 N CB 0.828 39.388 38.487 0.123 0.000 1.440 540 N HN -0.188 nan 8.380 nan 0.000 0.503 541 L N 0.799 121.985 121.223 -0.061 0.000 2.367 541 L HA 0.442 4.782 4.340 -0.001 0.000 0.275 541 L C 0.059 176.663 176.870 -0.444 0.000 1.129 541 L CA 0.132 54.812 54.840 -0.267 0.000 0.839 541 L CB 0.145 42.000 42.059 -0.340 0.000 1.133 541 L HN 0.473 nan 8.230 nan 0.000 0.453 542 I N 3.741 124.043 120.570 -0.448 0.000 2.389 542 I HA 0.343 4.513 4.170 -0.001 0.000 0.288 542 I C -0.663 175.187 176.117 -0.444 0.000 0.999 542 I CA -0.408 60.671 61.300 -0.368 0.000 1.129 542 I CB 1.014 38.903 38.000 -0.187 0.000 1.288 542 I HN 0.308 nan 8.210 nan 0.000 0.444 543 F N 3.083 122.988 119.950 -0.074 0.000 2.422 543 F HA 0.580 5.106 4.527 -0.001 0.000 0.333 543 F C 1.070 176.837 175.800 -0.054 0.000 1.095 543 F CA -0.643 57.326 58.000 -0.052 0.000 1.038 543 F CB 1.656 40.627 39.000 -0.049 0.000 1.156 543 F HN 0.420 nan 8.300 nan 0.000 0.483 544 G N 2.738 111.627 108.800 0.149 0.000 2.353 544 G HA2 0.338 4.297 3.960 -0.001 0.000 0.284 544 G HA3 0.338 4.297 3.960 -0.001 0.000 0.284 544 G C -0.566 174.360 174.900 0.043 0.000 1.172 544 G CA -0.744 44.393 45.100 0.061 0.000 0.854 544 G HN 0.545 nan 8.290 nan 0.000 0.485 545 K N 0.789 121.190 120.400 0.001 0.000 2.286 545 K HA 0.063 4.383 4.320 -0.001 0.000 0.256 545 K C 0.314 176.893 176.600 -0.034 0.000 0.999 545 K CA -0.176 56.090 56.287 -0.035 0.000 0.908 545 K CB 0.651 33.119 32.500 -0.054 0.000 0.981 545 K HN 0.517 nan 8.250 nan 0.000 0.500 546 E N 0.344 120.507 120.200 -0.061 0.000 2.415 546 E HA 0.082 4.432 4.350 -0.001 0.000 0.263 546 E C -0.187 176.391 176.600 -0.038 0.000 0.995 546 E CA 1.086 57.457 56.400 -0.048 0.000 0.915 546 E CB 0.308 29.963 29.700 -0.075 0.000 0.951 546 E HN 0.636 nan 8.360 nan 0.000 0.449 547 G N 3.570 112.358 108.800 -0.019 0.000 2.540 547 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.260 547 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.260 547 G C -0.451 174.438 174.900 -0.019 0.000 0.993 547 G CA 0.254 45.344 45.100 -0.017 0.000 1.327 547 G HN 0.612 nan 8.290 nan 0.000 0.485 548 T N 1.206 115.753 114.554 -0.012 0.000 3.705 548 T HA 0.433 4.783 4.350 -0.001 0.000 0.342 548 T C 0.376 175.071 174.700 -0.009 0.000 1.043 548 T CA -0.104 61.987 62.100 -0.014 0.000 1.071 548 T CB 1.198 70.056 68.868 -0.016 0.000 1.124 548 T HN 0.636 nan 8.240 nan 0.000 0.467 549 T N 2.384 116.931 114.554 -0.011 0.000 2.906 549 T HA 0.211 4.561 4.350 -0.001 0.000 0.329 549 T C 1.632 176.326 174.700 -0.011 0.000 1.091 549 T CA 0.325 62.419 62.100 -0.010 0.000 1.127 549 T CB 0.458 69.319 68.868 -0.013 0.000 1.035 549 T HN 0.758 nan 8.240 nan 0.000 0.547 550 A N 1.960 124.773 122.820 -0.011 0.000 2.206 550 A HA 0.231 4.551 4.320 -0.001 0.000 0.211 550 A C 1.396 178.967 177.584 -0.022 0.000 1.158 550 A CA 0.235 52.264 52.037 -0.014 0.000 0.761 550 A CB 0.186 19.179 19.000 -0.012 0.000 0.801 550 A HN 0.563 nan 8.150 nan 0.000 0.473 551 S N 0.358 116.045 115.700 -0.022 0.000 2.498 551 S HA 0.410 4.879 4.470 -0.001 0.000 0.324 551 S C -0.444 174.142 174.600 -0.025 0.000 1.071 551 S CA -0.671 57.513 58.200 -0.026 0.000 1.113 551 S CB -0.436 62.748 63.200 -0.026 0.000 0.976 551 S HN 0.557 nan 8.310 nan 0.000 0.462 552 N N 2.243 120.927 118.700 -0.027 0.000 2.607 552 N HA -0.201 4.539 4.740 -0.001 0.000 0.285 552 N C -0.332 175.165 175.510 -0.022 0.000 1.151 552 N CA 0.535 53.570 53.050 -0.024 0.000 0.749 552 N CB -0.539 37.933 38.487 -0.024 0.000 0.923 552 N HN 0.657 nan 8.380 nan 0.000 0.552 553 A N 0.791 123.598 122.820 -0.022 0.000 2.252 553 A HA 0.578 4.898 4.320 -0.001 0.000 0.305 553 A C 0.467 178.036 177.584 -0.024 0.000 1.097 553 A CA -0.390 51.633 52.037 -0.022 0.000 0.849 553 A CB 0.768 19.754 19.000 -0.023 0.000 1.142 553 A HN 0.464 nan 8.150 nan 0.000 0.499 554 E N -0.716 119.469 120.200 -0.025 0.000 2.374 554 E HA 0.245 4.594 4.350 -0.001 0.000 0.260 554 E C 0.842 177.422 176.600 -0.034 0.000 1.101 554 E CA -0.269 56.116 56.400 -0.026 0.000 0.907 554 E CB 0.700 30.385 29.700 -0.025 0.000 1.014 554 E HN 0.513 nan 8.360 nan 0.000 0.427 555 L N 2.075 123.278 121.223 -0.034 0.000 2.191 555 L HA -0.067 4.273 4.340 -0.001 0.000 0.212 555 L C 0.688 177.522 176.870 -0.060 0.000 1.103 555 L CA 1.807 56.617 54.840 -0.050 0.000 0.769 555 L CB -0.096 41.939 42.059 -0.039 0.000 0.908 555 L HN 0.521 nan 8.230 nan 0.000 0.438 556 D N -0.702 119.669 120.400 -0.048 0.000 2.328 556 D HA -0.004 4.636 4.640 -0.001 0.000 0.226 556 D C 0.816 177.087 176.300 -0.048 0.000 1.066 556 D CA 0.275 54.246 54.000 -0.049 0.000 0.861 556 D CB -0.018 40.757 40.800 -0.041 0.000 0.912 556 D HN 0.374 nan 8.370 nan 0.000 0.521 557 N N 0.043 118.715 118.700 -0.047 0.000 2.184 557 N HA 0.037 4.776 4.740 -0.001 0.000 0.206 557 N C -0.016 175.470 175.510 -0.041 0.000 1.151 557 N CA 0.056 53.081 53.050 -0.042 0.000 0.878 557 N CB 1.667 40.133 38.487 -0.035 0.000 1.014 557 N HN 0.072 nan 8.380 nan 0.000 0.512 558 V N -2.182 117.701 119.914 -0.051 0.000 3.074 558 V HA 0.660 4.780 4.120 -0.001 0.000 0.314 558 V C -0.411 175.649 176.094 -0.057 0.000 1.117 558 V CA -0.986 61.285 62.300 -0.049 0.000 1.014 558 V CB 2.511 34.295 31.823 -0.066 0.000 1.057 558 V HN -0.181 nan 8.190 nan 0.000 0.438 559 M N 3.278 122.861 119.600 -0.028 0.000 2.043 559 M HA 0.583 5.063 4.480 -0.001 0.000 0.322 559 M C -0.998 175.272 176.300 -0.050 0.000 0.962 559 M CA -0.145 55.144 55.300 -0.017 0.000 0.927 559 M CB 1.533 34.164 32.600 0.051 0.000 1.466 559 M HN 0.561 nan 8.290 nan 0.000 0.412 560 I N 2.602 123.099 120.570 -0.121 0.000 2.365 560 I HA 0.325 4.495 4.170 -0.001 0.000 0.291 560 I C 0.631 176.690 176.117 -0.097 0.000 1.004 560 I CA -0.663 60.532 61.300 -0.174 0.000 1.311 560 I CB 1.460 39.253 38.000 -0.344 0.000 1.401 560 I HN 0.597 nan 8.210 nan 0.000 0.491 561 T N 0.518 115.015 114.554 -0.094 0.000 2.806 561 T HA 0.278 4.628 4.350 -0.001 0.000 0.290 561 T C -0.488 174.255 174.700 0.071 0.000 0.966 561 T CA -0.838 61.224 62.100 -0.064 0.000 1.060 561 T CB 1.604 70.306 68.868 -0.276 0.000 0.927 561 T HN 0.409 nan 8.240 nan 0.000 0.485 562 D N 1.947 122.436 120.400 0.149 0.000 2.329 562 D HA 0.183 4.822 4.640 -0.001 0.000 0.232 562 D C -0.120 176.328 176.300 0.246 0.000 1.088 562 D CA -0.509 53.621 54.000 0.216 0.000 0.835 562 D CB 0.914 41.850 40.800 0.227 0.000 1.078 562 D HN 0.447 nan 8.370 nan 0.000 0.495 563 E N 3.334 123.669 120.200 0.226 0.000 2.360 563 E HA 0.058 4.408 4.350 -0.001 0.000 0.253 563 E C 0.054 176.714 176.600 0.100 0.000 1.189 563 E CA -0.055 56.454 56.400 0.182 0.000 1.252 563 E CB 0.238 30.045 29.700 0.178 0.000 1.408 563 E HN 0.656 nan 8.360 nan 0.000 0.464 564 E N -0.250 119.995 120.200 0.075 0.000 2.569 564 E HA 0.128 4.477 4.350 -0.001 0.000 0.205 564 E C 0.193 176.778 176.600 -0.025 0.000 1.006 564 E CA -0.003 56.375 56.400 -0.036 0.000 0.985 564 E CB 0.303 29.960 29.700 -0.071 0.000 1.060 564 E HN -0.036 nan 8.360 nan 0.000 0.460 565 E N 0.737 120.934 120.200 -0.004 0.000 2.431 565 E HA 0.136 4.485 4.350 -0.001 0.000 0.200 565 E C 1.479 178.070 176.600 -0.016 0.000 0.995 565 E CA 0.236 56.619 56.400 -0.029 0.000 0.915 565 E CB 0.313 29.977 29.700 -0.060 0.000 0.930 565 E HN 0.555 nan 8.360 nan 0.000 0.496 566 I N -1.982 118.591 120.570 0.006 0.000 3.858 566 I HA 0.290 4.460 4.170 -0.001 0.000 0.325 566 I C 1.030 177.170 176.117 0.039 0.000 1.403 566 I CA -0.184 61.137 61.300 0.036 0.000 1.169 566 I CB 0.183 38.213 38.000 0.050 0.000 1.077 566 I HN -0.134 nan 8.210 nan 0.000 0.403 567 R N 1.415 121.922 120.500 0.012 0.000 2.152 567 R HA -0.089 4.251 4.340 -0.001 0.000 0.232 567 R C 2.186 178.491 176.300 0.009 0.000 1.117 567 R CA 1.990 58.087 56.100 -0.004 0.000 0.981 567 R CB -0.371 29.909 30.300 -0.033 0.000 0.870 567 R HN 0.648 nan 8.270 nan 0.000 0.451 568 T N -3.210 111.358 114.554 0.024 0.000 3.067 568 T HA -0.010 4.340 4.350 -0.001 0.000 0.257 568 T C 1.710 176.401 174.700 -0.016 0.000 1.105 568 T CA 1.138 63.241 62.100 0.006 0.000 1.104 568 T CB 0.215 69.093 68.868 0.017 0.000 0.925 568 T HN 0.304 nan 8.240 nan 0.000 0.498 569 T N -1.898 112.664 114.554 0.013 0.000 2.955 569 T HA 0.317 4.667 4.350 -0.001 0.000 0.251 569 T C 0.359 175.113 174.700 0.089 0.000 1.002 569 T CA -0.539 61.573 62.100 0.019 0.000 0.970 569 T CB -0.270 68.600 68.868 0.003 0.000 1.091 569 T HN 0.384 nan 8.240 nan 0.000 0.495 570 N N 2.199 120.950 118.700 0.085 0.000 2.319 570 N HA 0.573 5.313 4.740 -0.001 0.000 0.305 570 N C -3.132 172.422 175.510 0.074 0.000 1.103 570 N CA -2.017 51.096 53.050 0.105 0.000 0.815 570 N CB 2.021 40.575 38.487 0.112 0.000 1.288 570 N HN 0.058 nan 8.380 nan 0.000 0.493 571 P HA 0.054 nan 4.420 nan 0.000 0.272 571 P C -0.673 176.665 177.300 0.063 0.000 1.223 571 P CA -0.377 62.769 63.100 0.077 0.000 0.784 571 P CB 0.617 32.421 31.700 0.174 0.000 0.923 572 V N 1.967 121.904 119.914 0.037 0.000 2.572 572 V HA 0.115 4.235 4.120 -0.001 0.000 0.291 572 V C 1.719 177.838 176.094 0.042 0.000 1.039 572 V CA 0.532 62.851 62.300 0.033 0.000 1.055 572 V CB -0.034 31.797 31.823 0.014 0.000 0.969 572 V HN 0.721 nan 8.190 nan 0.000 0.482 573 A N 4.250 127.101 122.820 0.051 0.000 1.908 573 A HA -0.162 4.157 4.320 -0.001 0.000 0.218 573 A C 2.254 179.844 177.584 0.009 0.000 1.181 573 A CA 2.400 54.464 52.037 0.045 0.000 0.627 573 A CB -0.693 18.342 19.000 0.060 0.000 0.818 573 A HN 1.016 nan 8.150 nan 0.000 0.445 574 T N -2.697 111.856 114.554 -0.002 0.000 3.009 574 T HA 0.073 4.422 4.350 -0.001 0.000 0.258 574 T C 0.814 175.484 174.700 -0.051 0.000 1.063 574 T CA 0.391 62.467 62.100 -0.041 0.000 1.139 574 T CB -0.204 68.632 68.868 -0.053 0.000 0.890 574 T HN 0.392 nan 8.240 nan 0.000 0.471 575 E N 2.373 122.553 120.200 -0.032 0.000 2.397 575 E HA 0.174 4.524 4.350 -0.001 0.000 0.254 575 E C 0.603 177.193 176.600 -0.017 0.000 1.231 575 E CA -0.209 56.170 56.400 -0.036 0.000 0.954 575 E CB 0.475 30.158 29.700 -0.028 0.000 1.024 575 E HN 0.769 nan 8.360 nan 0.000 0.481 576 Q N -0.351 119.440 119.800 -0.016 0.000 2.492 576 Q HA 0.016 4.355 4.340 -0.001 0.000 0.184 576 Q C 0.680 176.725 176.000 0.075 0.000 1.126 576 Q CA -0.036 55.776 55.803 0.015 0.000 1.196 576 Q CB 0.116 28.854 28.738 -0.000 0.000 1.240 576 Q HN 0.610 nan 8.270 nan 0.000 0.651 577 Y N -1.539 118.738 120.300 -0.038 0.000 2.609 577 Y HA 0.430 4.979 4.550 -0.001 0.000 0.281 577 Y C 0.536 176.424 175.900 -0.020 0.000 1.132 577 Y CA 1.081 59.166 58.100 -0.026 0.000 1.264 577 Y CB 1.220 39.663 38.460 -0.027 0.000 1.325 577 Y HN 0.865 nan 8.280 nan 0.000 0.514 578 G N -0.983 107.828 108.800 0.019 0.000 2.399 578 G HA2 0.307 4.267 3.960 -0.001 0.000 0.256 578 G HA3 0.307 4.267 3.960 -0.001 0.000 0.256 578 G C -1.432 173.477 174.900 0.015 0.000 1.236 578 G CA -0.380 44.686 45.100 -0.057 0.000 0.914 578 G HN -0.065 nan 8.290 nan 0.000 0.482 579 T N 0.088 114.645 114.554 0.004 0.000 2.829 579 T HA 0.678 5.027 4.350 -0.001 0.000 0.280 579 T C -0.661 174.056 174.700 0.029 0.000 0.999 579 T CA -0.320 61.788 62.100 0.012 0.000 0.983 579 T CB 1.716 70.581 68.868 -0.005 0.000 0.968 579 T HN 0.829 nan 8.240 nan 0.000 0.446 580 V N 1.678 121.609 119.914 0.028 0.000 2.789 580 V HA 0.805 4.924 4.120 -0.001 0.000 0.311 580 V C 0.111 176.216 176.094 0.017 0.000 1.073 580 V CA -1.305 61.012 62.300 0.029 0.000 0.921 580 V CB 1.826 33.670 31.823 0.035 0.000 1.009 580 V HN 1.089 nan 8.190 nan 0.000 0.426 581 A N 3.051 125.881 122.820 0.017 0.000 2.322 581 A HA 0.704 5.024 4.320 -0.001 0.000 0.269 581 A C 0.412 178.002 177.584 0.010 0.000 1.094 581 A CA -0.304 51.740 52.037 0.012 0.000 0.807 581 A CB 0.173 19.182 19.000 0.014 0.000 1.047 581 A HN 1.094 nan 8.150 nan 0.000 0.487 582 N N 1.191 119.895 118.700 0.006 0.000 2.604 582 N HA 0.125 4.865 4.740 -0.001 0.000 0.284 582 N C -1.237 174.275 175.510 0.003 0.000 1.716 582 N CA -0.404 52.649 53.050 0.004 0.000 0.859 582 N CB 0.112 38.600 38.487 0.002 0.000 1.403 582 N HN 0.743 nan 8.380 nan 0.000 0.501 583 N N -0.249 118.454 118.700 0.004 0.000 3.322 583 N HA 0.146 4.886 4.740 -0.001 0.000 0.233 583 N C -1.740 173.773 175.510 0.005 0.000 1.399 583 N CA -0.580 52.472 53.050 0.004 0.000 0.894 583 N CB 0.602 39.090 38.487 0.002 0.000 1.440 583 N HN 0.049 nan 8.380 nan 0.000 0.503 584 L N 1.556 122.782 121.223 0.005 0.000 2.352 584 L HA 0.247 4.586 4.340 -0.001 0.000 0.272 584 L C 0.403 177.276 176.870 0.005 0.000 1.109 584 L CA -0.846 53.998 54.840 0.006 0.000 0.952 584 L CB 0.227 42.289 42.059 0.006 0.000 1.314 584 L HN 0.622 nan 8.230 nan 0.000 0.427 585 Q N 2.562 122.365 119.800 0.005 0.000 2.386 585 Q HA 0.417 4.757 4.340 -0.001 0.000 0.282 585 Q C -0.001 176.001 176.000 0.003 0.000 1.050 585 Q CA -0.044 55.761 55.803 0.003 0.000 0.918 585 Q CB 1.176 29.916 28.738 0.003 0.000 1.266 585 Q HN 0.586 nan 8.270 nan 0.000 0.423 586 S N 0.131 115.831 115.700 0.000 0.000 2.694 586 S HA 0.339 4.809 4.470 -0.001 0.000 0.273 586 S C 0.407 175.006 174.600 -0.002 0.000 1.180 586 S CA -0.336 57.864 58.200 -0.000 0.000 0.864 586 S CB 0.069 63.270 63.200 0.001 0.000 1.198 586 S HN 0.958 nan 8.310 nan 0.000 0.499 587 S N 1.172 116.870 115.700 -0.003 0.000 2.419 587 S HA -0.105 4.365 4.470 -0.001 0.000 0.233 587 S C 1.188 175.786 174.600 -0.004 0.000 1.016 587 S CA 1.290 59.488 58.200 -0.004 0.000 0.974 587 S CB -0.869 62.329 63.200 -0.004 0.000 0.786 587 S HN 0.639 nan 8.310 nan 0.000 0.492 588 N N 1.218 119.917 118.700 -0.002 0.000 2.395 588 N HA 0.092 4.831 4.740 -0.001 0.000 0.175 588 N C -0.116 175.393 175.510 -0.003 0.000 1.029 588 N CA 0.756 53.805 53.050 -0.002 0.000 0.897 588 N CB 0.043 38.529 38.487 -0.002 0.000 0.991 588 N HN 0.385 nan 8.380 nan 0.000 0.441 589 T N 0.392 114.945 114.554 -0.002 0.000 2.841 589 T HA 0.619 4.969 4.350 -0.001 0.000 0.283 589 T C -0.465 174.233 174.700 -0.003 0.000 1.000 589 T CA -0.746 61.353 62.100 -0.002 0.000 0.977 589 T CB 2.461 71.329 68.868 -0.001 0.000 0.979 589 T HN 0.090 nan 8.240 nan 0.000 0.446 590 A N 4.737 127.555 122.820 -0.003 0.000 2.331 590 A HA 0.673 4.992 4.320 -0.001 0.000 0.283 590 A C -2.241 175.342 177.584 -0.003 0.000 1.142 590 A CA -1.663 50.371 52.037 -0.004 0.000 0.812 590 A CB -0.183 18.814 19.000 -0.005 0.000 1.074 590 A HN 0.558 nan 8.150 nan 0.000 0.497 591 P HA 0.109 nan 4.420 nan 0.000 0.264 591 P C -0.390 176.909 177.300 -0.002 0.000 1.193 591 P CA 0.497 63.596 63.100 -0.001 0.000 0.763 591 P CB 0.416 32.116 31.700 -0.000 0.000 0.810 592 T N 2.248 116.802 114.554 -0.001 0.000 2.855 592 T HA 0.419 4.769 4.350 -0.001 0.000 0.281 592 T C 0.030 174.729 174.700 -0.001 0.000 1.007 592 T CA -0.280 61.819 62.100 -0.002 0.000 1.009 592 T CB 1.186 70.052 68.868 -0.003 0.000 0.983 592 T HN 0.232 nan 8.240 nan 0.000 0.455 593 T N 3.113 117.665 114.554 -0.003 0.000 2.856 593 T HA 0.557 4.907 4.350 -0.001 0.000 0.283 593 T C -0.478 174.220 174.700 -0.004 0.000 1.008 593 T CA -0.767 61.332 62.100 -0.002 0.000 0.997 593 T CB 1.089 69.954 68.868 -0.004 0.000 0.992 593 T HN 0.266 nan 8.240 nan 0.000 0.454 594 R N 2.138 122.638 120.500 -0.000 0.000 2.480 594 R HA 0.363 4.703 4.340 -0.001 0.000 0.306 594 R C -0.928 175.374 176.300 0.003 0.000 0.958 594 R CA -0.472 55.627 56.100 -0.002 0.000 0.861 594 R CB 1.376 31.675 30.300 -0.000 0.000 1.171 594 R HN 0.616 nan 8.270 nan 0.000 0.445 595 T N 3.678 118.229 114.554 -0.005 0.000 2.738 595 T HA 0.053 4.403 4.350 -0.001 0.000 0.293 595 T C 0.045 174.749 174.700 0.006 0.000 0.913 595 T CA -0.055 62.045 62.100 -0.001 0.000 1.103 595 T CB 0.538 69.397 68.868 -0.016 0.000 0.880 595 T HN 0.351 nan 8.240 nan 0.000 0.526 596 V N 5.474 125.411 119.914 0.038 0.000 2.455 596 V HA 0.221 4.340 4.120 -0.001 0.000 0.273 596 V C 0.570 176.683 176.094 0.032 0.000 1.045 596 V CA -0.157 62.169 62.300 0.043 0.000 0.976 596 V CB 0.440 32.326 31.823 0.106 0.000 0.993 596 V HN 0.804 nan 8.190 nan 0.000 0.475 597 N N 4.344 123.024 118.700 -0.035 0.000 2.294 597 N HA 0.158 4.897 4.740 -0.001 0.000 0.186 597 N C -0.426 175.003 175.510 -0.133 0.000 1.107 597 N CA 0.185 53.189 53.050 -0.076 0.000 0.884 597 N CB 0.600 39.021 38.487 -0.110 0.000 1.030 597 N HN 0.809 nan 8.380 nan 0.000 0.482 598 D N 0.590 120.909 120.400 -0.135 0.000 2.855 598 D HA 0.195 4.834 4.640 -0.001 0.000 0.241 598 D C -1.509 174.677 176.300 -0.191 0.000 1.277 598 D CA -0.363 53.548 54.000 -0.148 0.000 0.918 598 D CB 1.421 42.157 40.800 -0.108 0.000 1.462 598 D HN -0.256 nan 8.370 nan 0.000 0.559 599 Q N 2.739 122.364 119.800 -0.292 0.000 2.309 599 Q HA 0.652 4.992 4.340 -0.001 0.000 0.270 599 Q C 0.100 175.921 176.000 -0.298 0.000 1.023 599 Q CA -0.740 54.816 55.803 -0.413 0.000 0.758 599 Q CB 1.633 29.786 28.738 -0.975 0.000 1.247 599 Q HN 0.525 nan 8.270 nan 0.000 0.455 600 G N 2.072 110.741 108.800 -0.219 0.000 2.479 600 G HA2 0.463 4.423 3.960 -0.001 0.000 0.275 600 G HA3 0.463 4.423 3.960 -0.001 0.000 0.275 600 G C -0.477 174.277 174.900 -0.244 0.000 1.421 600 G CA -0.091 44.876 45.100 -0.222 0.000 1.059 600 G HN 0.828 nan 8.290 nan 0.000 0.535 601 A N -1.509 121.156 122.820 -0.257 0.000 2.304 601 A HA 0.716 5.035 4.320 -0.001 0.000 0.271 601 A C -0.405 177.157 177.584 -0.037 0.000 1.091 601 A CA -0.218 51.706 52.037 -0.189 0.000 0.812 601 A CB 0.498 19.334 19.000 -0.274 0.000 1.056 601 A HN 0.575 nan 8.150 nan 0.000 0.489 602 L N 0.884 122.147 121.223 0.068 0.000 2.482 602 L HA 0.361 4.701 4.340 -0.001 0.000 0.263 602 L C -2.588 174.386 176.870 0.173 0.000 0.957 602 L CA -1.847 53.056 54.840 0.105 0.000 0.836 602 L CB 2.646 44.764 42.059 0.098 0.000 1.324 602 L HN 0.428 nan 8.230 nan 0.000 0.406 603 P HA 0.165 nan 4.420 nan 0.000 0.259 603 P C 0.671 178.078 177.300 0.178 0.000 1.211 603 P CA 0.683 63.881 63.100 0.163 0.000 0.810 603 P CB 0.456 32.224 31.700 0.113 0.000 0.815 604 G N 2.367 111.319 108.800 0.254 0.000 2.227 604 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.168 604 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.168 604 G C 0.132 175.267 174.900 0.391 0.000 1.006 604 G CA -0.604 44.693 45.100 0.329 0.000 0.684 604 G HN 0.398 nan 8.290 nan 0.000 0.489 605 M N 1.338 121.146 119.600 0.347 0.000 2.233 605 M HA 0.521 5.001 4.480 -0.001 0.000 0.350 605 M C 0.471 177.002 176.300 0.386 0.000 1.176 605 M CA -0.209 55.319 55.300 0.380 0.000 1.150 605 M CB 1.540 34.377 32.600 0.394 0.000 1.530 605 M HN 0.481 nan 8.290 nan 0.000 0.459 606 V N 0.858 120.957 119.914 0.307 0.000 2.686 606 V HA 0.834 4.954 4.120 -0.001 0.000 0.306 606 V C -1.608 174.607 176.094 0.202 0.000 1.065 606 V CA -0.680 61.667 62.300 0.078 0.000 0.894 606 V CB 1.204 32.937 31.823 -0.151 0.000 1.004 606 V HN 1.076 nan 8.190 nan 0.000 0.424 607 W N 2.458 123.735 121.300 -0.038 0.000 3.029 607 W HA 0.887 5.546 4.660 -0.001 0.000 0.339 607 W C -1.015 175.483 176.519 -0.034 0.000 1.198 607 W CA -1.064 56.262 57.345 -0.031 0.000 1.148 607 W CB 1.775 31.223 29.460 -0.020 0.000 1.451 607 W HN 0.684 nan 8.180 nan 0.000 0.564 608 Q N 1.966 121.872 119.800 0.176 0.000 2.274 608 Q HA 0.308 4.648 4.340 -0.001 0.000 0.260 608 Q C -0.403 175.716 176.000 0.198 0.000 0.974 608 Q CA -0.264 55.584 55.803 0.076 0.000 0.876 608 Q CB 1.324 30.090 28.738 0.046 0.000 1.297 608 Q HN 0.410 nan 8.270 nan 0.000 0.446 609 D N 1.056 121.541 120.400 0.141 0.000 2.414 609 D HA 0.205 4.845 4.640 -0.001 0.000 0.259 609 D C 0.484 176.873 176.300 0.149 0.000 1.269 609 D CA -0.194 53.932 54.000 0.211 0.000 1.028 609 D CB 0.604 41.539 40.800 0.225 0.000 1.093 609 D HN 0.464 nan 8.370 nan 0.000 0.545 610 R N -0.301 120.304 120.500 0.175 0.000 3.213 610 R HA 0.245 4.585 4.340 -0.001 0.000 0.188 610 R C -0.267 176.142 176.300 0.181 0.000 0.931 610 R CA 0.081 56.285 56.100 0.172 0.000 1.218 610 R CB 0.025 30.440 30.300 0.190 0.000 0.742 610 R HN 0.424 nan 8.270 nan 0.000 0.484 611 D N -0.843 119.654 120.400 0.161 0.000 2.581 611 D HA 0.318 4.958 4.640 -0.001 0.000 0.232 611 D C -1.632 174.555 176.300 -0.190 0.000 1.143 611 D CA -0.557 53.458 54.000 0.025 0.000 0.881 611 D CB 1.983 42.683 40.800 -0.166 0.000 1.500 611 D HN 0.244 nan 8.370 nan 0.000 0.458 612 V N 0.158 119.826 119.914 -0.409 0.000 2.483 612 V HA 0.694 4.813 4.120 -0.001 0.000 0.295 612 V C -1.079 174.839 176.094 -0.293 0.000 1.035 612 V CA -0.491 61.658 62.300 -0.252 0.000 0.896 612 V CB 0.760 32.398 31.823 -0.309 0.000 0.986 612 V HN 0.439 nan 8.190 nan 0.000 0.447 613 Y N 2.721 123.129 120.300 0.180 0.000 2.549 613 Y HA 0.580 5.130 4.550 -0.001 0.000 0.339 613 Y C 0.858 176.587 175.900 -0.285 0.000 1.053 613 Y CA -1.075 57.081 58.100 0.094 0.000 1.105 613 Y CB 1.518 40.065 38.460 0.145 0.000 1.258 613 Y HN 0.588 nan 8.280 nan 0.000 0.478 614 L N 1.412 122.284 121.223 -0.586 0.000 2.151 614 L HA -0.243 4.096 4.340 -0.001 0.000 0.215 614 L C 1.711 178.361 176.870 -0.366 0.000 1.084 614 L CA 2.051 56.191 54.840 -1.168 0.000 0.764 614 L CB -0.437 41.006 42.059 -1.028 0.000 0.891 614 L HN 0.825 nan 8.230 nan 0.000 0.435 615 Q N -1.385 118.302 119.800 -0.187 0.000 2.179 615 Q HA 0.304 4.644 4.340 -0.001 0.000 0.213 615 Q C 0.663 176.683 176.000 0.032 0.000 0.833 615 Q CA 0.376 56.167 55.803 -0.020 0.000 0.990 615 Q CB -0.303 28.282 28.738 -0.254 0.000 1.132 615 Q HN 0.363 nan 8.270 nan 0.000 0.493 616 G N 2.278 111.234 108.800 0.259 0.000 2.547 616 G HA2 0.478 4.438 3.960 -0.001 0.000 0.291 616 G HA3 0.478 4.438 3.960 -0.001 0.000 0.291 616 G C -2.717 172.375 174.900 0.321 0.000 1.211 616 G CA -1.252 44.139 45.100 0.486 0.000 0.950 616 G HN 0.059 nan 8.290 nan 0.000 0.504 617 P HA 0.185 nan 4.420 nan 0.000 0.270 617 P C 0.434 177.700 177.300 -0.056 0.000 1.223 617 P CA -0.154 62.948 63.100 0.003 0.000 0.785 617 P CB 1.014 32.725 31.700 0.019 0.000 0.923 618 I N -1.049 119.349 120.570 -0.288 0.000 2.900 618 I HA 0.181 4.351 4.170 -0.001 0.000 0.251 618 I C 0.678 176.982 176.117 0.312 0.000 1.102 618 I CA 0.555 61.747 61.300 -0.180 0.000 1.457 618 I CB -0.296 37.643 38.000 -0.101 0.000 1.285 618 I HN 0.445 nan 8.210 nan 0.000 0.459 619 W N 1.052 122.470 121.300 0.197 0.000 3.207 619 W HA 0.827 5.487 4.660 -0.000 0.000 0.326 619 W C -1.200 175.431 176.519 0.187 0.000 1.190 619 W CA -1.217 56.280 57.345 0.254 0.000 1.011 619 W CB 0.820 30.471 29.460 0.317 0.000 1.511 619 W HN -0.069 nan 8.180 nan 0.000 0.606 620 A N 1.324 124.425 122.820 0.468 0.000 2.555 620 A HA 0.450 4.770 4.320 -0.001 0.000 0.297 620 A C -1.556 176.174 177.584 0.243 0.000 1.060 620 A CA -1.091 51.119 52.037 0.289 0.000 0.710 620 A CB 1.471 20.566 19.000 0.159 0.000 1.282 620 A HN 0.699 nan 8.150 nan 0.000 0.399 621 K N 3.536 124.027 120.400 0.151 0.000 2.315 621 K HA 0.366 4.686 4.320 -0.001 0.000 0.291 621 K C -0.483 176.066 176.600 -0.085 0.000 1.074 621 K CA -0.274 55.942 56.287 -0.118 0.000 0.936 621 K CB -0.235 31.976 32.500 -0.481 0.000 1.049 621 K HN 0.615 nan 8.250 nan 0.000 0.471 622 I N 7.578 128.073 120.570 -0.125 0.000 2.742 622 I HA -0.042 4.127 4.170 -0.001 0.000 0.287 622 I C -1.780 174.248 176.117 -0.147 0.000 1.186 622 I CA -1.578 59.626 61.300 -0.160 0.000 1.417 622 I CB 0.099 37.924 38.000 -0.291 0.000 1.377 622 I HN 0.473 nan 8.210 nan 0.000 0.556 623 P HA -0.094 nan 4.420 nan 0.000 0.265 623 P C -0.541 176.821 177.300 0.103 0.000 1.187 623 P CA 0.165 63.293 63.100 0.046 0.000 0.766 623 P CB 0.282 32.036 31.700 0.090 0.000 0.820 624 H N 1.784 120.873 119.070 0.032 0.000 2.982 624 H HA 0.270 4.826 4.556 -0.001 0.000 0.261 624 H C 0.250 175.634 175.328 0.092 0.000 1.603 624 H CA 0.011 56.095 56.048 0.060 0.000 1.398 624 H CB -0.543 29.220 29.762 0.001 0.000 1.693 624 H HN 0.322 nan 8.280 nan 0.000 0.535 625 T N -0.670 113.894 114.554 0.018 0.000 2.870 625 T HA 0.148 4.497 4.350 -0.001 0.000 0.277 625 T C 1.003 175.560 174.700 -0.239 0.000 1.000 625 T CA -0.900 61.161 62.100 -0.065 0.000 0.982 625 T CB 1.172 70.017 68.868 -0.037 0.000 1.249 625 T HN 0.233 nan 8.240 nan 0.000 0.589 626 D N 0.416 120.703 120.400 -0.188 0.000 2.224 626 D HA 0.199 4.839 4.640 -0.001 0.000 0.205 626 D C 0.879 176.993 176.300 -0.309 0.000 0.965 626 D CA 1.096 54.979 54.000 -0.194 0.000 0.852 626 D CB -0.165 40.574 40.800 -0.103 0.000 0.947 626 D HN 0.826 nan 8.370 nan 0.000 0.494 627 G N -0.644 107.890 108.800 -0.443 0.000 2.733 627 G HA2 0.496 4.455 3.960 -0.001 0.000 0.297 627 G HA3 0.496 4.455 3.960 -0.001 0.000 0.297 627 G C -1.340 173.204 174.900 -0.594 0.000 1.422 627 G CA -0.688 44.124 45.100 -0.479 0.000 0.942 627 G HN 0.027 nan 8.290 nan 0.000 0.510 628 H N 1.315 120.398 119.070 0.021 0.000 2.928 628 H HA 0.512 5.068 4.556 -0.001 0.000 0.371 628 H C -0.428 174.980 175.328 0.133 0.000 1.186 628 H CA -0.684 55.398 56.048 0.057 0.000 1.134 628 H CB 2.524 32.294 29.762 0.013 0.000 1.824 628 H HN 0.409 nan 8.280 nan 0.000 0.554 629 F N 0.846 120.889 119.950 0.154 0.000 2.324 629 F HA 0.092 4.619 4.527 -0.001 0.000 0.260 629 F C 0.832 176.769 175.800 0.227 0.000 1.073 629 F CA 0.692 58.782 58.000 0.150 0.000 1.073 629 F CB 0.344 39.408 39.000 0.106 0.000 1.114 629 F HN 0.514 nan 8.300 nan 0.000 0.588 630 H N 1.955 121.038 119.070 0.021 0.000 2.439 630 H HA 0.345 4.901 4.556 -0.001 0.000 0.239 630 H C -2.384 173.027 175.328 0.138 0.000 1.432 630 H CA -2.147 53.892 56.048 -0.015 0.000 1.373 630 H CB 0.235 30.108 29.762 0.185 0.000 1.463 630 H HN 0.068 nan 8.280 nan 0.000 0.530 631 P HA -0.009 nan 4.420 nan 0.000 0.235 631 P C -0.380 176.916 177.300 -0.007 0.000 1.670 631 P CA 0.324 63.417 63.100 -0.013 0.000 1.017 631 P CB -0.337 31.287 31.700 -0.127 0.000 1.945 632 S N 1.899 117.664 115.700 0.108 0.000 2.437 632 S HA 0.503 4.973 4.470 -0.001 0.000 0.305 632 S C -2.500 172.191 174.600 0.152 0.000 1.109 632 S CA -2.108 56.179 58.200 0.145 0.000 1.099 632 S CB 0.272 63.632 63.200 0.267 0.000 1.004 632 S HN -0.026 nan 8.310 nan 0.000 0.475 633 P HA 0.033 nan 4.420 nan 0.000 0.258 633 P C 0.720 178.092 177.300 0.120 0.000 1.172 633 P CA 0.205 63.373 63.100 0.113 0.000 0.762 633 P CB 0.281 32.048 31.700 0.112 0.000 0.764 634 L N 2.440 123.728 121.223 0.107 0.000 2.127 634 L HA -0.167 4.173 4.340 -0.001 0.000 0.211 634 L C 2.065 179.003 176.870 0.112 0.000 1.089 634 L CA 1.568 56.472 54.840 0.107 0.000 0.757 634 L CB -0.415 41.693 42.059 0.082 0.000 0.899 634 L HN 0.490 nan 8.230 nan 0.000 0.434 635 M N -0.864 118.797 119.600 0.103 0.000 2.619 635 M HA 0.140 4.620 4.480 -0.001 0.000 0.251 635 M C 0.727 177.114 176.300 0.144 0.000 1.106 635 M CA 0.504 55.869 55.300 0.109 0.000 1.086 635 M CB -0.017 32.632 32.600 0.080 0.000 1.465 635 M HN 0.336 nan 8.290 nan 0.000 0.506 636 G N -0.140 108.739 108.800 0.131 0.000 2.674 636 G HA2 0.291 4.250 3.960 -0.001 0.000 0.686 636 G HA3 0.291 4.250 3.960 -0.001 0.000 0.686 636 G C -0.366 174.579 174.900 0.074 0.000 1.195 636 G CA -0.628 44.543 45.100 0.119 0.000 0.776 636 G HN 0.732 nan 8.290 nan 0.000 0.654 637 G N -0.548 108.226 108.800 -0.043 0.000 2.297 637 G HA2 0.452 4.411 3.960 -0.001 0.000 0.209 637 G HA3 0.452 4.411 3.960 -0.001 0.000 0.209 637 G C -0.651 174.077 174.900 -0.287 0.000 1.267 637 G CA -0.080 44.905 45.100 -0.191 0.000 1.127 637 G HN 1.625 nan 8.290 nan 0.000 0.498 638 F N 1.966 122.057 119.950 0.234 0.000 2.388 638 F HA 0.568 5.095 4.527 -0.001 0.000 0.358 638 F C 1.130 177.043 175.800 0.188 0.000 1.122 638 F CA 0.068 58.179 58.000 0.185 0.000 1.056 638 F CB 2.015 41.115 39.000 0.166 0.000 1.155 638 F HN 0.712 nan 8.300 nan 0.000 0.461 639 G N 5.180 114.135 108.800 0.258 0.000 2.360 639 G HA2 0.515 4.474 3.960 -0.001 0.000 0.279 639 G HA3 0.515 4.474 3.960 -0.001 0.000 0.279 639 G C -0.820 174.150 174.900 0.117 0.000 1.189 639 G CA -0.416 44.775 45.100 0.151 0.000 0.941 639 G HN 0.580 nan 8.290 nan 0.000 0.445 640 L N 3.120 124.403 121.223 0.101 0.000 2.356 640 L HA 0.359 4.699 4.340 -0.001 0.000 0.277 640 L C 1.157 177.947 176.870 -0.133 0.000 0.996 640 L CA -1.114 53.749 54.840 0.038 0.000 0.822 640 L CB 2.217 44.351 42.059 0.125 0.000 1.256 640 L HN 0.425 nan 8.230 nan 0.000 0.413 641 K N 1.039 121.314 120.400 -0.208 0.000 2.026 641 K HA -0.035 4.285 4.320 -0.001 0.000 0.208 641 K C 0.323 176.467 176.600 -0.760 0.000 1.048 641 K CA 1.351 57.357 56.287 -0.468 0.000 0.929 641 K CB 0.044 32.267 32.500 -0.461 0.000 0.713 641 K HN 0.541 nan 8.250 nan 0.000 0.439 642 H N 0.577 119.522 119.070 -0.208 0.000 2.645 642 H HA 0.312 4.867 4.556 -0.001 0.000 0.257 642 H C -2.414 172.915 175.328 0.002 0.000 1.269 642 H CA -2.229 53.668 56.048 -0.253 0.000 1.409 642 H CB 1.151 30.912 29.762 -0.003 0.000 1.434 642 H HN 0.058 nan 8.280 nan 0.000 0.505 643 P HA 0.195 nan 4.420 nan 0.000 0.281 643 P C -2.647 174.447 177.300 -0.343 0.000 1.264 643 P CA -2.153 60.844 63.100 -0.171 0.000 0.824 643 P CB 0.268 31.894 31.700 -0.124 0.000 1.092 644 P HA -0.031 nan 4.420 nan 0.000 0.251 644 P C -2.007 175.096 177.300 -0.327 0.000 1.154 644 P CA -0.082 62.318 63.100 -1.166 0.000 0.805 644 P CB -1.278 29.735 31.700 -1.145 0.000 0.759 645 P HA -0.072 nan 4.420 nan 0.000 0.270 645 P C -0.306 176.863 177.300 -0.218 0.000 1.221 645 P CA 0.289 63.284 63.100 -0.176 0.000 0.788 645 P CB 0.656 32.128 31.700 -0.379 0.000 0.904 646 Q N 0.502 120.145 119.800 -0.262 0.000 2.286 646 Q HA 0.343 4.683 4.340 -0.001 0.000 0.257 646 Q C -0.457 175.202 176.000 -0.568 0.000 0.941 646 Q CA -0.385 55.175 55.803 -0.404 0.000 0.912 646 Q CB 0.290 28.741 28.738 -0.479 0.000 1.192 646 Q HN 0.314 nan 8.270 nan 0.000 0.410 647 I N 3.114 123.384 120.570 -0.500 0.000 2.307 647 I HA 0.198 4.368 4.170 -0.001 0.000 0.289 647 I C -0.418 175.453 176.117 -0.410 0.000 1.021 647 I CA -0.147 60.811 61.300 -0.569 0.000 1.224 647 I CB 0.803 38.401 38.000 -0.670 0.000 1.376 647 I HN 0.499 nan 8.210 nan 0.000 0.470 648 M N 6.647 125.839 119.600 -0.681 0.000 2.359 648 M HA 0.609 5.089 4.480 -0.001 0.000 0.322 648 M C -0.738 175.527 176.300 -0.058 0.000 1.166 648 M CA -0.355 54.662 55.300 -0.472 0.000 1.067 648 M CB 1.440 33.410 32.600 -1.049 0.000 1.523 648 M HN 0.494 nan 8.290 nan 0.000 0.467 649 I N 2.259 122.963 120.570 0.223 0.000 2.775 649 I HA 0.684 4.854 4.170 -0.001 0.000 0.295 649 I C -1.843 174.303 176.117 0.049 0.000 1.287 649 I CA -0.234 61.148 61.300 0.138 0.000 1.029 649 I CB 1.694 39.656 38.000 -0.064 0.000 1.282 649 I HN 0.683 nan 8.210 nan 0.000 0.426 650 K N 3.458 123.736 120.400 -0.204 0.000 2.598 650 K HA 0.548 4.868 4.320 -0.001 0.000 0.271 650 K C -2.010 174.413 176.600 -0.295 0.000 0.947 650 K CA -0.698 55.337 56.287 -0.419 0.000 0.854 650 K CB 0.610 32.428 32.500 -1.138 0.000 1.401 650 K HN 0.327 nan 8.250 nan 0.000 0.415 651 N N 1.187 119.779 118.700 -0.179 0.000 2.442 651 N HA 0.177 4.917 4.740 -0.001 0.000 0.265 651 N C -0.870 174.563 175.510 -0.128 0.000 1.138 651 N CA -0.317 52.680 53.050 -0.090 0.000 0.956 651 N CB 1.088 39.569 38.487 -0.009 0.000 1.067 651 N HN 0.655 nan 8.380 nan 0.000 0.474 652 T N 4.068 118.549 114.554 -0.122 0.000 2.829 652 T HA 0.100 4.450 4.350 -0.001 0.000 0.293 652 T C -2.188 172.391 174.700 -0.203 0.000 0.970 652 T CA -0.594 61.415 62.100 -0.151 0.000 1.168 652 T CB 0.076 68.890 68.868 -0.090 0.000 0.911 652 T HN 0.284 nan 8.240 nan 0.000 0.535 653 P HA 0.138 nan 4.420 nan 0.000 0.263 653 P C -0.821 176.259 177.300 -0.367 0.000 1.195 653 P CA -0.143 62.494 63.100 -0.773 0.000 0.762 653 P CB 0.380 31.419 31.700 -1.101 0.000 0.799 654 V N 7.250 127.047 119.914 -0.194 0.000 2.334 654 V HA 0.266 4.386 4.120 -0.001 0.000 0.281 654 V C -2.110 174.114 176.094 0.217 0.000 1.016 654 V CA -2.158 60.149 62.300 0.011 0.000 0.832 654 V CB 1.459 33.298 31.823 0.027 0.000 0.999 654 V HN 0.454 nan 8.190 nan 0.000 0.439 655 P HA 0.139 nan 4.420 nan 0.000 0.263 655 P C 0.236 177.627 177.300 0.152 0.000 1.195 655 P CA 0.457 63.626 63.100 0.114 0.000 0.762 655 P CB 0.689 32.203 31.700 -0.310 0.000 0.799 656 A N 4.363 127.314 122.820 0.218 0.000 2.404 656 A HA 0.036 4.356 4.320 -0.001 0.000 0.258 656 A C 0.723 178.400 177.584 0.155 0.000 1.644 656 A CA -0.056 52.074 52.037 0.155 0.000 0.847 656 A CB -0.349 18.720 19.000 0.114 0.000 1.473 656 A HN 0.596 nan 8.150 nan 0.000 0.602 657 N N 0.803 119.566 118.700 0.105 0.000 2.470 657 N HA 0.300 5.039 4.740 -0.001 0.000 0.268 657 N C -2.605 172.974 175.510 0.115 0.000 1.136 657 N CA -0.882 52.223 53.050 0.091 0.000 0.961 657 N CB 0.309 38.825 38.487 0.048 0.000 1.067 657 N HN 0.236 nan 8.380 nan 0.000 0.468 658 P HA 0.487 nan 4.420 nan 0.000 0.287 658 P C -2.633 174.713 177.300 0.077 0.000 1.270 658 P CA -1.253 61.949 63.100 0.169 0.000 0.844 658 P CB 0.289 32.121 31.700 0.221 0.000 1.068 659 P HA 0.230 nan 4.420 nan 0.000 0.277 659 P C 0.530 177.861 177.300 0.052 0.000 1.240 659 P CA -0.203 62.911 63.100 0.023 0.000 0.798 659 P CB 0.335 32.026 31.700 -0.015 0.000 0.979 660 T N -1.227 113.352 114.554 0.042 0.000 3.035 660 T HA -0.028 4.322 4.350 -0.001 0.000 0.268 660 T C 0.911 175.653 174.700 0.068 0.000 1.109 660 T CA 1.242 63.374 62.100 0.052 0.000 1.119 660 T CB -0.203 68.687 68.868 0.037 0.000 0.900 660 T HN 0.477 nan 8.240 nan 0.000 0.503 661 T N 1.029 115.621 114.554 0.063 0.000 2.867 661 T HA 0.485 4.835 4.350 -0.001 0.000 0.282 661 T C -0.738 174.036 174.700 0.123 0.000 1.000 661 T CA -0.972 61.180 62.100 0.087 0.000 1.042 661 T CB 0.255 69.154 68.868 0.051 0.000 0.973 661 T HN 0.132 nan 8.240 nan 0.000 0.465 662 F N 4.250 124.213 119.950 0.021 0.000 2.484 662 F HA 0.494 5.021 4.527 -0.001 0.000 0.360 662 F C 0.331 176.145 175.800 0.023 0.000 1.101 662 F CA -0.045 57.972 58.000 0.029 0.000 1.251 662 F CB 0.643 39.660 39.000 0.029 0.000 1.132 662 F HN 0.448 nan 8.300 nan 0.000 0.570 663 S N 6.924 122.117 115.700 -0.845 0.000 2.605 663 S HA 0.510 4.979 4.470 -0.001 0.000 0.308 663 S C -1.906 172.140 174.600 -0.924 0.000 1.113 663 S CA -1.281 56.500 58.200 -0.699 0.000 1.049 663 S CB 1.410 64.407 63.200 -0.337 0.000 1.001 663 S HN 0.531 nan 8.310 nan 0.000 0.480 664 P HA 0.224 nan 4.420 nan 0.000 0.236 664 P C 0.168 177.376 177.300 -0.154 0.000 1.177 664 P CA 0.149 63.050 63.100 -0.333 0.000 0.773 664 P CB -0.041 31.591 31.700 -0.113 0.000 0.878 665 A N 0.910 123.627 122.820 -0.170 0.000 2.531 665 A HA 0.027 4.347 4.320 -0.001 0.000 0.236 665 A C 0.579 178.131 177.584 -0.053 0.000 1.062 665 A CA -0.210 51.768 52.037 -0.100 0.000 0.760 665 A CB -0.304 18.619 19.000 -0.127 0.000 0.995 665 A HN 0.066 nan 8.150 nan 0.000 0.501 666 K N 1.658 122.060 120.400 0.003 0.000 2.524 666 K HA 0.017 4.337 4.320 -0.001 0.000 0.279 666 K C -0.825 175.809 176.600 0.057 0.000 0.993 666 K CA 0.234 56.566 56.287 0.075 0.000 1.030 666 K CB 0.057 32.612 32.500 0.093 0.000 0.891 666 K HN 0.497 nan 8.250 nan 0.000 0.488 667 F N 2.987 122.938 119.950 0.003 0.000 2.456 667 F HA 0.244 4.771 4.527 -0.001 0.000 0.358 667 F C 0.707 176.422 175.800 -0.142 0.000 1.095 667 F CA 0.764 58.705 58.000 -0.099 0.000 1.216 667 F CB 1.214 40.167 39.000 -0.078 0.000 1.125 667 F HN 0.681 nan 8.300 nan 0.000 0.549 668 A N 3.067 125.682 122.820 -0.342 0.000 2.704 668 A HA 0.181 4.500 4.320 -0.001 0.000 0.260 668 A C 0.130 177.475 177.584 -0.398 0.000 1.144 668 A CA 0.025 51.943 52.037 -0.199 0.000 0.985 668 A CB -0.123 18.863 19.000 -0.024 0.000 1.256 668 A HN 0.480 nan 8.150 nan 0.000 0.598 669 S N 0.716 116.010 115.700 -0.676 0.000 2.466 669 S HA 0.712 5.182 4.470 -0.001 0.000 0.313 669 S C -0.951 173.453 174.600 -0.327 0.000 1.078 669 S CA -0.338 57.625 58.200 -0.394 0.000 1.115 669 S CB -0.544 62.446 63.200 -0.351 0.000 1.006 669 S HN 0.202 nan 8.310 nan 0.000 0.487 670 F N 3.051 123.129 119.950 0.213 0.000 2.556 670 F HA 0.571 5.098 4.527 -0.001 0.000 0.327 670 F C 0.440 176.328 175.800 0.146 0.000 1.059 670 F CA -1.277 56.840 58.000 0.195 0.000 0.953 670 F CB 1.195 40.320 39.000 0.208 0.000 1.227 670 F HN 0.283 nan 8.300 nan 0.000 0.478 671 I N 1.502 122.265 120.570 0.322 0.000 2.471 671 I HA 0.113 4.282 4.170 -0.001 0.000 0.286 671 I C 0.349 176.590 176.117 0.207 0.000 1.079 671 I CA -0.360 61.060 61.300 0.200 0.000 1.398 671 I CB 0.910 38.991 38.000 0.135 0.000 1.403 671 I HN 0.604 nan 8.210 nan 0.000 0.530 672 T N 4.490 119.138 114.554 0.157 0.000 2.814 672 T HA 0.395 4.745 4.350 -0.001 0.000 0.297 672 T C -0.381 174.390 174.700 0.118 0.000 0.956 672 T CA -0.640 61.540 62.100 0.132 0.000 1.123 672 T CB 0.767 69.692 68.868 0.094 0.000 0.902 672 T HN 0.732 nan 8.240 nan 0.000 0.528 673 Q N 2.306 122.178 119.800 0.119 0.000 2.472 673 Q HA 0.563 4.902 4.340 -0.001 0.000 0.281 673 Q C -1.774 174.305 176.000 0.132 0.000 0.997 673 Q CA -1.355 54.506 55.803 0.097 0.000 0.828 673 Q CB 1.493 30.248 28.738 0.030 0.000 1.443 673 Q HN 0.863 nan 8.270 nan 0.000 0.390 674 Y N -1.141 119.150 120.300 -0.015 0.000 2.545 674 Y HA 0.836 5.386 4.550 -0.001 0.000 0.348 674 Y C -0.846 175.059 175.900 0.008 0.000 1.002 674 Y CA -0.826 57.261 58.100 -0.022 0.000 1.039 674 Y CB 2.036 40.466 38.460 -0.050 0.000 1.271 674 Y HN 0.819 nan 8.280 nan 0.000 0.467 675 S N 1.072 116.831 115.700 0.099 0.000 2.621 675 S HA 0.849 5.319 4.470 -0.001 0.000 0.302 675 S C -0.650 174.036 174.600 0.143 0.000 1.093 675 S CA -0.461 57.789 58.200 0.084 0.000 1.017 675 S CB 1.940 65.280 63.200 0.234 0.000 1.077 675 S HN 1.073 nan 8.310 nan 0.000 0.517 676 T N -0.451 114.008 114.554 -0.158 0.000 2.853 676 T HA 0.760 5.110 4.350 -0.001 0.000 0.311 676 T C -0.347 173.657 174.700 -1.161 0.000 1.307 676 T CA 0.269 61.950 62.100 -0.699 0.000 1.019 676 T CB 1.059 69.721 68.868 -0.344 0.000 1.264 676 T HN 1.736 nan 8.240 nan 0.000 0.497 677 G N 1.799 109.451 108.800 -1.914 0.000 2.325 677 G HA2 0.493 4.453 3.960 -0.001 0.000 0.295 677 G HA3 0.493 4.453 3.960 -0.001 0.000 0.295 677 G C -2.091 172.010 174.900 -1.331 0.000 1.274 677 G CA -0.666 43.693 45.100 -1.235 0.000 0.857 677 G HN 0.768 nan 8.290 nan 0.000 0.499 678 Q N -1.352 118.045 119.800 -0.673 0.000 2.248 678 Q HA 0.757 5.097 4.340 -0.001 0.000 0.263 678 Q C -0.570 175.211 176.000 -0.365 0.000 1.007 678 Q CA -0.729 54.719 55.803 -0.591 0.000 0.877 678 Q CB 2.539 30.788 28.738 -0.814 0.000 1.315 678 Q HN 0.973 nan 8.270 nan 0.000 0.454 679 V N 0.204 120.030 119.914 -0.147 0.000 2.841 679 V HA 0.830 4.950 4.120 -0.001 0.000 0.310 679 V C -1.595 174.397 176.094 -0.170 0.000 1.090 679 V CA -0.318 61.874 62.300 -0.181 0.000 0.930 679 V CB 2.344 34.116 31.823 -0.085 0.000 1.014 679 V HN 0.692 nan 8.190 nan 0.000 0.425 680 S N 4.310 119.897 115.700 -0.188 0.000 2.557 680 S HA 0.817 5.287 4.470 -0.001 0.000 0.291 680 S C -1.476 172.955 174.600 -0.281 0.000 1.116 680 S CA -0.453 57.665 58.200 -0.137 0.000 0.992 680 S CB 1.595 64.834 63.200 0.064 0.000 1.028 680 S HN 0.877 nan 8.310 nan 0.000 0.484 681 V N 4.956 124.735 119.914 -0.225 0.000 2.443 681 V HA 0.498 4.618 4.120 -0.001 0.000 0.293 681 V C -0.233 175.784 176.094 -0.129 0.000 1.021 681 V CA -0.651 61.513 62.300 -0.228 0.000 0.848 681 V CB 1.480 33.022 31.823 -0.468 0.000 0.998 681 V HN 0.902 nan 8.190 nan 0.000 0.424 682 E N 5.479 125.614 120.200 -0.107 0.000 2.151 682 E HA 0.650 5.000 4.350 -0.001 0.000 0.275 682 E C -1.424 175.127 176.600 -0.082 0.000 0.936 682 E CA -0.519 55.829 56.400 -0.086 0.000 0.777 682 E CB 1.422 31.057 29.700 -0.109 0.000 1.108 682 E HN 0.647 nan 8.360 nan 0.000 0.401 683 I N 3.536 124.061 120.570 -0.075 0.000 2.498 683 I HA 0.269 4.439 4.170 -0.001 0.000 0.290 683 I C -0.216 175.769 176.117 -0.219 0.000 1.032 683 I CA -0.801 60.399 61.300 -0.167 0.000 1.073 683 I CB 2.061 39.910 38.000 -0.252 0.000 1.251 683 I HN 0.554 nan 8.210 nan 0.000 0.426 684 E N 5.223 125.242 120.200 -0.301 0.000 2.231 684 E HA 0.372 4.722 4.350 -0.001 0.000 0.277 684 E C -1.934 174.426 176.600 -0.400 0.000 0.999 684 E CA -0.584 55.692 56.400 -0.207 0.000 0.827 684 E CB 1.303 30.931 29.700 -0.120 0.000 1.101 684 E HN 0.405 nan 8.360 nan 0.000 0.393 685 W N 2.731 124.021 121.300 -0.017 0.000 2.683 685 W HA 0.287 4.947 4.660 -0.001 0.000 0.329 685 W C -0.202 176.363 176.519 0.077 0.000 1.037 685 W CA -0.700 56.675 57.345 0.052 0.000 1.232 685 W CB 1.251 30.805 29.460 0.157 0.000 1.390 685 W HN 0.459 nan 8.180 nan 0.000 0.465 686 E N 3.253 123.602 120.200 0.248 0.000 2.331 686 E HA 0.473 4.823 4.350 -0.001 0.000 0.272 686 E C -0.901 175.978 176.600 0.464 0.000 1.036 686 E CA -0.284 56.270 56.400 0.258 0.000 0.864 686 E CB 0.823 30.599 29.700 0.126 0.000 1.035 686 E HN 0.461 nan 8.360 nan 0.000 0.408 687 L N 3.300 124.801 121.223 0.463 0.000 2.342 687 L HA 0.362 4.701 4.340 -0.001 0.000 0.271 687 L C -0.299 176.811 176.870 0.399 0.000 1.008 687 L CA -0.764 54.377 54.840 0.501 0.000 0.818 687 L CB 1.922 44.200 42.059 0.365 0.000 1.296 687 L HN 0.546 nan 8.230 nan 0.000 0.427 688 Q N 3.103 123.067 119.800 0.274 0.000 2.394 688 Q HA 0.251 4.591 4.340 -0.001 0.000 0.259 688 Q C -0.822 175.183 176.000 0.010 0.000 1.021 688 Q CA -0.786 54.981 55.803 -0.061 0.000 0.805 688 Q CB 1.163 29.617 28.738 -0.472 0.000 1.226 688 Q HN 0.343 nan 8.270 nan 0.000 0.476 689 K N 1.833 122.196 120.400 -0.062 0.000 2.230 689 K HA 0.049 4.369 4.320 -0.001 0.000 0.253 689 K C -0.098 176.245 176.600 -0.429 0.000 1.008 689 K CA -0.002 56.190 56.287 -0.159 0.000 0.910 689 K CB 0.656 33.072 32.500 -0.139 0.000 0.994 689 K HN 0.656 nan 8.250 nan 0.000 0.495 690 E N 1.985 121.817 120.200 -0.613 0.000 2.200 690 E HA 0.035 4.384 4.350 -0.001 0.000 0.283 690 E C -1.019 175.004 176.600 -0.963 0.000 1.015 690 E CA -0.206 55.413 56.400 -1.301 0.000 0.819 690 E CB 0.555 29.624 29.700 -1.051 0.000 1.081 690 E HN 0.356 nan 8.360 nan 0.000 0.397 691 N N 2.949 121.015 118.700 -1.057 0.000 2.762 691 N HA 0.115 4.855 4.740 -0.001 0.000 0.252 691 N C -1.841 173.567 175.510 -0.170 0.000 1.269 691 N CA -0.223 52.576 53.050 -0.419 0.000 0.799 691 N CB 0.969 39.320 38.487 -0.228 0.000 1.173 691 N HN 0.232 nan 8.380 nan 0.000 0.516 692 S N 1.105 116.714 115.700 -0.151 0.000 2.513 692 S HA 0.444 4.913 4.470 -0.001 0.000 0.299 692 S C 0.065 174.686 174.600 0.036 0.000 1.087 692 S CA -0.616 57.626 58.200 0.071 0.000 1.012 692 S CB 0.669 63.989 63.200 0.199 0.000 1.044 692 S HN 0.262 nan 8.310 nan 0.000 0.485 693 K N 2.368 122.815 120.400 0.079 0.000 2.493 693 K HA 0.156 4.475 4.320 -0.001 0.000 0.207 693 K C 0.269 176.944 176.600 0.125 0.000 1.033 693 K CA -0.264 56.074 56.287 0.084 0.000 1.161 693 K CB -0.134 32.417 32.500 0.085 0.000 0.873 693 K HN 0.555 nan 8.250 nan 0.000 0.491 694 R N 0.965 121.537 120.500 0.119 0.000 2.502 694 R HA -0.108 4.231 4.340 -0.001 0.000 0.292 694 R C 1.082 177.473 176.300 0.152 0.000 0.998 694 R CA 0.237 56.421 56.100 0.140 0.000 1.056 694 R CB 0.067 30.440 30.300 0.121 0.000 0.939 694 R HN 0.297 nan 8.270 nan 0.000 0.411 695 W N 5.832 127.146 121.300 0.024 0.000 2.452 695 W HA -0.091 4.569 4.660 -0.001 0.000 0.313 695 W C -0.102 176.427 176.519 0.015 0.000 1.176 695 W CA 1.123 58.477 57.345 0.015 0.000 1.350 695 W CB -0.230 29.237 29.460 0.013 0.000 1.148 695 W HN 0.755 nan 8.180 nan 0.000 0.498 696 N N 2.066 120.888 118.700 0.204 0.000 2.444 696 N HA 0.089 4.829 4.740 -0.001 0.000 0.255 696 N C -2.701 172.813 175.510 0.006 0.000 1.255 696 N CA -1.050 52.052 53.050 0.086 0.000 0.933 696 N CB -0.611 37.974 38.487 0.165 0.000 1.143 696 N HN -0.103 nan 8.380 nan 0.000 0.453 697 P HA 0.077 nan 4.420 nan 0.000 0.267 697 P C -0.197 177.121 177.300 0.029 0.000 1.200 697 P CA 0.272 63.363 63.100 -0.016 0.000 0.772 697 P CB 0.552 32.241 31.700 -0.019 0.000 0.855 698 E N 1.354 121.579 120.200 0.042 0.000 2.292 698 E HA 0.366 4.716 4.350 -0.001 0.000 0.258 698 E C 0.290 176.942 176.600 0.088 0.000 1.115 698 E CA -0.995 55.452 56.400 0.078 0.000 0.929 698 E CB 0.812 30.578 29.700 0.110 0.000 1.161 698 E HN 0.439 nan 8.360 nan 0.000 0.453 699 I N -1.201 119.439 120.570 0.116 0.000 2.519 699 I HA 0.197 4.367 4.170 -0.001 0.000 0.287 699 I C -0.350 175.927 176.117 0.267 0.000 1.047 699 I CA -0.484 60.907 61.300 0.151 0.000 1.381 699 I CB 0.650 38.721 38.000 0.117 0.000 1.417 699 I HN 0.169 nan 8.210 nan 0.000 0.540 700 Q N 4.684 124.635 119.800 0.251 0.000 2.394 700 Q HA 0.303 4.643 4.340 -0.001 0.000 0.273 700 Q C -1.406 174.731 176.000 0.229 0.000 1.089 700 Q CA -0.796 55.137 55.803 0.217 0.000 0.812 700 Q CB 2.824 31.605 28.738 0.071 0.000 1.353 700 Q HN 0.791 nan 8.270 nan 0.000 0.438 701 Y N 0.997 121.188 120.300 -0.181 0.000 2.346 701 Y HA 0.295 4.844 4.550 -0.001 0.000 0.330 701 Y C -0.116 175.763 175.900 -0.035 0.000 1.178 701 Y CA 0.864 58.871 58.100 -0.155 0.000 1.331 701 Y CB 0.989 39.124 38.460 -0.542 0.000 1.253 701 Y HN 0.616 nan 8.280 nan 0.000 0.529 702 T N 3.632 117.780 114.554 -0.677 0.000 2.840 702 T HA 0.433 4.782 4.350 -0.001 0.000 0.317 702 T C -1.240 173.223 174.700 -0.394 0.000 1.401 702 T CA -0.752 61.150 62.100 -0.329 0.000 1.028 702 T CB 0.869 69.664 68.868 -0.122 0.000 1.317 702 T HN 0.613 nan 8.240 nan 0.000 0.495 703 S N 2.050 117.696 115.700 -0.090 0.000 2.586 703 S HA 0.377 4.847 4.470 -0.001 0.000 0.274 703 S C 0.103 174.729 174.600 0.044 0.000 1.281 703 S CA -0.630 57.576 58.200 0.009 0.000 1.035 703 S CB 0.184 63.447 63.200 0.106 0.000 0.962 703 S HN 0.713 nan 8.310 nan 0.000 0.512 704 N N 1.932 120.661 118.700 0.048 0.000 2.427 704 N HA 0.054 4.794 4.740 -0.001 0.000 0.269 704 N C 0.650 176.206 175.510 0.077 0.000 1.235 704 N CA -0.126 52.965 53.050 0.068 0.000 0.934 704 N CB 0.171 38.660 38.487 0.003 0.000 1.121 704 N HN 0.755 nan 8.380 nan 0.000 0.480 705 Y N 1.095 121.393 120.300 -0.004 0.000 2.639 705 Y HA 0.079 4.629 4.550 -0.001 0.000 0.297 705 Y C 0.062 175.964 175.900 0.004 0.000 1.151 705 Y CA -0.513 57.588 58.100 0.003 0.000 1.335 705 Y CB -0.160 38.301 38.460 0.000 0.000 0.994 705 Y HN 0.313 nan 8.280 nan 0.000 0.548 706 N N 2.533 120.872 118.700 -0.603 0.000 2.415 706 N HA -0.031 4.708 4.740 -0.001 0.000 0.248 706 N C -0.497 174.876 175.510 -0.229 0.000 1.271 706 N CA -0.201 52.525 53.050 -0.539 0.000 0.913 706 N CB 0.514 38.746 38.487 -0.425 0.000 1.129 706 N HN 0.317 nan 8.380 nan 0.000 0.444 707 K N 0.556 120.851 120.400 -0.174 0.000 2.453 707 K HA 0.003 4.322 4.320 -0.001 0.000 0.280 707 K C -0.304 176.250 176.600 -0.077 0.000 1.045 707 K CA 0.362 56.594 56.287 -0.092 0.000 1.059 707 K CB 0.216 32.673 32.500 -0.071 0.000 0.901 707 K HN 0.453 nan 8.250 nan 0.000 0.475 708 S N 2.786 118.455 115.700 -0.052 0.000 2.599 708 S HA 0.328 4.798 4.470 -0.001 0.000 0.294 708 S C 0.843 175.424 174.600 -0.032 0.000 1.094 708 S CA -1.053 57.121 58.200 -0.043 0.000 0.931 708 S CB 1.581 64.760 63.200 -0.035 0.000 1.093 708 S HN 0.366 nan 8.310 nan 0.000 0.488 709 V N 3.235 123.128 119.914 -0.034 0.000 2.238 709 V HA -0.009 4.111 4.120 -0.001 0.000 0.235 709 V C 0.796 176.873 176.094 -0.029 0.000 1.037 709 V CA 1.485 63.766 62.300 -0.032 0.000 0.991 709 V CB -0.865 30.936 31.823 -0.037 0.000 0.638 709 V HN 0.837 nan 8.190 nan 0.000 0.457 710 N N -0.897 117.781 118.700 -0.036 0.000 2.472 710 N HA 0.477 5.216 4.740 -0.001 0.000 0.289 710 N C -1.030 174.464 175.510 -0.026 0.000 1.156 710 N CA -0.601 52.427 53.050 -0.036 0.000 0.940 710 N CB 1.971 40.423 38.487 -0.058 0.000 1.200 710 N HN 0.084 nan 8.380 nan 0.000 0.511 711 V N 1.381 121.290 119.914 -0.009 0.000 2.530 711 V HA 0.043 4.163 4.120 -0.001 0.000 0.282 711 V C -0.064 176.042 176.094 0.020 0.000 1.048 711 V CA -0.433 61.882 62.300 0.024 0.000 0.997 711 V CB 0.761 32.618 31.823 0.056 0.000 0.987 711 V HN 0.615 nan 8.190 nan 0.000 0.477 712 D N 4.655 125.089 120.400 0.058 0.000 2.531 712 D HA 0.105 4.745 4.640 -0.001 0.000 0.239 712 D C 0.109 176.533 176.300 0.206 0.000 1.144 712 D CA 0.682 54.717 54.000 0.057 0.000 0.869 712 D CB 0.013 40.938 40.800 0.208 0.000 1.160 712 D HN 0.484 nan 8.370 nan 0.000 0.484 713 F N 0.020 119.920 119.950 -0.082 0.000 2.563 713 F HA -0.266 4.261 4.527 -0.001 0.000 0.351 713 F C 0.312 176.093 175.800 -0.032 0.000 1.086 713 F CA 0.349 58.263 58.000 -0.143 0.000 1.174 713 F CB -1.736 37.303 39.000 0.065 0.000 1.590 713 F HN 0.166 nan 8.300 nan 0.000 0.808 714 T N -0.760 113.724 114.554 -0.117 0.000 2.786 714 T HA 0.607 4.957 4.350 -0.001 0.000 0.316 714 T C -0.175 174.456 174.700 -0.115 0.000 1.503 714 T CA -0.464 61.651 62.100 0.023 0.000 1.019 714 T CB 1.929 70.825 68.868 0.046 0.000 1.415 714 T HN 0.495 nan 8.240 nan 0.000 0.496 715 V N 0.360 120.213 119.914 -0.101 0.000 3.185 715 V HA 0.637 4.757 4.120 -0.001 0.000 0.305 715 V C 0.236 176.275 176.094 -0.091 0.000 1.090 715 V CA -0.374 61.842 62.300 -0.141 0.000 1.107 715 V CB 0.396 32.110 31.823 -0.181 0.000 1.061 715 V HN 0.996 nan 8.190 nan 0.000 0.480 716 D N 1.080 121.431 120.400 -0.082 0.000 2.509 716 D HA 0.243 4.883 4.640 -0.001 0.000 0.275 716 D C 1.392 177.669 176.300 -0.040 0.000 1.189 716 D CA 0.360 54.323 54.000 -0.061 0.000 1.098 716 D CB -0.252 40.508 40.800 -0.067 0.000 1.177 716 D HN 0.688 nan 8.370 nan 0.000 0.599 717 T N -2.972 111.562 114.554 -0.033 0.000 2.915 717 T HA -0.121 4.229 4.350 -0.001 0.000 0.269 717 T C 0.684 175.373 174.700 -0.018 0.000 1.071 717 T CA 1.272 63.359 62.100 -0.022 0.000 1.132 717 T CB -0.770 68.086 68.868 -0.021 0.000 0.878 717 T HN 0.543 nan 8.240 nan 0.000 0.479 718 N N 0.257 118.944 118.700 -0.021 0.000 2.291 718 N HA 0.413 5.152 4.740 -0.001 0.000 0.244 718 N C 0.715 176.217 175.510 -0.013 0.000 1.216 718 N CA -0.166 52.875 53.050 -0.014 0.000 0.879 718 N CB 0.291 38.770 38.487 -0.013 0.000 1.167 718 N HN 0.499 nan 8.380 nan 0.000 0.515 719 G N -0.127 108.660 108.800 -0.022 0.000 2.470 719 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.286 719 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.286 719 G C -0.938 173.946 174.900 -0.027 0.000 1.115 719 G CA -0.003 45.084 45.100 -0.023 0.000 1.122 719 G HN 0.343 nan 8.290 nan 0.000 0.522 720 V N 1.907 121.789 119.914 -0.053 0.000 2.488 720 V HA 0.411 4.531 4.120 -0.001 0.000 0.293 720 V C 0.019 176.069 176.094 -0.074 0.000 1.027 720 V CA -1.343 60.932 62.300 -0.042 0.000 0.862 720 V CB 1.515 33.317 31.823 -0.034 0.000 1.008 720 V HN 0.564 nan 8.190 nan 0.000 0.428 721 Y N 4.417 124.584 120.300 -0.221 0.000 2.511 721 Y HA 0.461 5.010 4.550 -0.001 0.000 0.332 721 Y C 0.719 176.534 175.900 -0.142 0.000 1.177 721 Y CA 0.266 58.213 58.100 -0.255 0.000 1.422 721 Y CB 1.013 39.299 38.460 -0.291 0.000 1.271 721 Y HN 0.729 nan 8.280 nan 0.000 0.550 722 S N 4.372 119.635 115.700 -0.730 0.000 2.619 722 S HA 0.413 4.883 4.470 -0.001 0.000 0.280 722 S C -1.506 172.640 174.600 -0.756 0.000 1.150 722 S CA -1.197 56.672 58.200 -0.553 0.000 0.978 722 S CB 1.404 64.397 63.200 -0.345 0.000 1.041 722 S HN 0.675 nan 8.310 nan 0.000 0.485 723 E N 3.095 122.960 120.200 -0.558 0.000 2.001 723 E HA 0.218 4.568 4.350 -0.001 0.000 0.279 723 E C -1.856 174.388 176.600 -0.594 0.000 1.045 723 E CA -2.002 54.036 56.400 -0.603 0.000 0.833 723 E CB 0.461 30.047 29.700 -0.191 0.000 1.077 723 E HN 0.355 nan 8.360 nan 0.000 0.397 724 P HA -0.216 nan 4.420 nan 0.000 0.208 724 P C 0.202 177.338 177.300 -0.273 0.000 1.180 724 P CA 1.519 64.321 63.100 -0.496 0.000 0.935 724 P CB 0.181 31.559 31.700 -0.538 0.000 0.785 725 R N -1.612 118.778 120.500 -0.184 0.000 2.892 725 R HA 0.616 4.956 4.340 -0.001 0.000 0.265 725 R C -2.949 173.406 176.300 0.092 0.000 1.025 725 R CA -2.323 53.786 56.100 0.014 0.000 0.982 725 R CB 0.098 30.472 30.300 0.123 0.000 1.185 725 R HN -0.138 nan 8.270 nan 0.000 0.484 726 P HA 0.197 nan 4.420 nan 0.000 0.274 726 P C -0.698 176.763 177.300 0.268 0.000 1.231 726 P CA -0.368 62.792 63.100 0.100 0.000 0.790 726 P CB 0.523 32.250 31.700 0.045 0.000 0.951 727 I N 1.882 122.647 120.570 0.325 0.000 2.382 727 I HA 0.302 4.471 4.170 -0.001 0.000 0.286 727 I C 1.168 177.645 176.117 0.600 0.000 1.002 727 I CA -0.313 61.214 61.300 0.379 0.000 1.135 727 I CB 0.751 38.848 38.000 0.162 0.000 1.288 727 I HN 0.418 nan 8.210 nan 0.000 0.448 728 G N 3.530 112.682 108.800 0.586 0.000 2.631 728 G HA2 0.222 4.182 3.960 -0.001 0.000 0.271 728 G HA3 0.222 4.182 3.960 -0.001 0.000 0.271 728 G C 0.545 175.616 174.900 0.284 0.000 1.302 728 G CA 0.145 45.461 45.100 0.360 0.000 1.002 728 G HN 0.577 nan 8.290 nan 0.000 0.519 729 T N -1.401 113.243 114.554 0.150 0.000 2.986 729 T HA 0.176 4.526 4.350 -0.001 0.000 0.264 729 T C 0.912 175.721 174.700 0.183 0.000 0.964 729 T CA -0.221 61.944 62.100 0.108 0.000 0.895 729 T CB 0.022 68.959 68.868 0.116 0.000 1.163 729 T HN 0.362 nan 8.240 nan 0.000 0.517 730 R N 1.203 121.799 120.500 0.160 0.000 2.391 730 R HA 0.345 4.684 4.340 -0.001 0.000 0.310 730 R C -0.593 175.743 176.300 0.059 0.000 1.174 730 R CA -0.168 55.963 56.100 0.051 0.000 1.118 730 R CB 0.377 30.615 30.300 -0.105 0.000 1.134 730 R HN 0.327 nan 8.270 nan 0.000 0.524 731 Y N 0.600 120.924 120.300 0.041 0.000 2.452 731 Y HA 0.238 4.787 4.550 -0.001 0.000 0.262 731 Y C 0.463 176.418 175.900 0.092 0.000 1.089 731 Y CA -0.069 58.075 58.100 0.073 0.000 1.262 731 Y CB 0.881 39.392 38.460 0.086 0.000 1.236 731 Y HN 0.245 nan 8.280 nan 0.000 0.512 732 L N 0.736 122.120 121.223 0.267 0.000 2.334 732 L HA 0.468 4.807 4.340 -0.001 0.000 0.275 732 L C 0.170 177.137 176.870 0.162 0.000 1.036 732 L CA -0.764 54.261 54.840 0.309 0.000 0.807 732 L CB 1.563 43.968 42.059 0.576 0.000 1.231 732 L HN 0.007 nan 8.230 nan 0.000 0.438 733 T N -0.229 114.425 114.554 0.166 0.000 2.794 733 T HA 0.572 4.922 4.350 -0.001 0.000 0.280 733 T C -0.413 174.219 174.700 -0.113 0.000 0.987 733 T CA -0.876 61.234 62.100 0.016 0.000 0.993 733 T CB 2.027 70.936 68.868 0.068 0.000 0.939 733 T HN 0.592 nan 8.240 nan 0.000 0.449 734 R N 2.090 122.403 120.500 -0.313 0.000 2.807 734 R HA 0.476 4.816 4.340 -0.001 0.000 0.276 734 R C -0.727 175.502 176.300 -0.118 0.000 0.979 734 R CA -0.677 55.188 56.100 -0.392 0.000 0.928 734 R CB 1.447 31.114 30.300 -1.055 0.000 1.191 734 R HN 0.712 nan 8.270 nan 0.000 0.471 735 N N 0.955 119.624 118.700 -0.052 0.000 2.374 735 N HA 0.344 5.084 4.740 -0.001 0.000 0.284 735 N C -0.219 175.323 175.510 0.052 0.000 1.280 735 N CA -0.268 52.797 53.050 0.025 0.000 0.963 735 N CB 0.326 38.821 38.487 0.013 0.000 1.141 735 N HN 0.361 nan 8.380 nan 0.000 0.565 736 L N 0.000 121.220 121.223 -0.006 0.000 2.949 736 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 736 L CA 0.000 54.781 54.840 -0.098 0.000 0.813 736 L CB 0.000 41.953 42.059 -0.177 0.000 0.961 736 L HN 0.000 nan 8.230 nan 0.000 0.502