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_C 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 -1.073 176.530 177.584 0.032 0.000 1.081 218 A CA -0.539 51.520 52.037 0.038 0.000 0.753 218 A CB 1.564 20.584 19.000 0.032 0.000 1.248 218 A HN 0.515 nan 8.150 nan 0.000 0.424 219 D N 0.549 120.972 120.400 0.038 0.000 2.989 219 D HA 0.694 5.333 4.640 -0.001 0.000 0.284 219 D C 0.673 176.994 176.300 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 42.137 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 0.473 120.401 119.914 0.023 0.000 2.273 221 V HA 0.109 4.229 4.120 -0.001 0.000 0.242 221 V C 2.376 178.482 176.094 0.020 0.000 1.035 221 V CA 1.857 64.169 62.300 0.021 0.000 1.013 221 V CB -0.665 31.166 31.823 0.014 0.000 0.652 221 V HN 0.731 nan 8.190 nan 0.000 0.452 222 G N 1.187 109.997 108.800 0.017 0.000 3.709 222 G HA2 0.234 4.194 3.960 -0.001 0.000 0.272 222 G HA3 0.234 4.194 3.960 -0.001 0.000 0.272 222 G C -0.121 174.790 174.900 0.020 0.000 1.259 222 G CA 0.011 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 39.840 38.487 0.027 0.000 1.414 223 N HN 0.067 nan 8.380 nan 0.000 0.529 224 S N 1.654 117.386 115.700 0.053 0.000 2.544 224 S HA 0.034 4.504 4.470 -0.001 0.000 0.290 224 S C 0.883 175.536 174.600 0.088 0.000 1.276 224 S CA -0.104 58.146 58.200 0.084 0.000 1.075 224 S CB 0.379 63.632 63.200 0.089 0.000 0.849 224 S HN 0.562 nan 8.310 nan 0.000 0.494 225 S N 1.738 117.518 115.700 0.134 0.000 2.743 225 S HA 0.542 5.011 4.470 -0.001 0.000 0.230 225 S C 0.717 175.365 174.600 0.080 0.000 0.950 225 S CA -0.275 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 0.294 109.100 108.800 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 -1.802 172.965 174.900 -0.222 0.000 1.498 226 G CA -1.089 43.787 45.100 -0.373 0.000 0.847 226 G HN 0.267 nan 8.290 nan 0.000 0.594 227 N N -0.712 117.806 118.700 -0.303 0.000 2.471 227 N HA 0.427 5.167 4.740 -0.001 0.000 0.288 227 N C -0.782 174.727 175.510 -0.002 0.000 1.220 227 N CA -0.852 52.146 53.050 -0.087 0.000 0.893 227 N CB 2.000 40.388 38.487 -0.165 0.000 1.256 227 N HN 0.536 nan 8.380 nan 0.000 0.534 228 W N 2.784 124.021 121.300 -0.105 0.000 2.365 228 W HA 0.142 4.801 4.660 -0.001 0.000 0.371 228 W C -0.954 175.468 176.519 -0.162 0.000 1.006 228 W CA 0.002 57.340 57.345 -0.012 0.000 1.528 228 W CB -0.284 29.176 29.460 0.000 0.000 1.497 228 W HN 0.458 nan 8.180 nan 0.000 0.367 229 H N 4.863 123.858 119.070 -0.125 0.000 2.787 229 H HA 0.180 4.736 4.556 -0.001 0.000 0.275 229 H C -0.189 175.023 175.328 -0.194 0.000 1.183 229 H CA -0.032 55.953 56.048 -0.106 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 4.471 123.774 119.300 0.005 0.000 2.547 230 C HA 0.354 4.814 4.460 -0.001 0.000 0.327 230 C C -0.889 174.145 174.990 0.073 0.000 1.076 230 C CA -0.357 58.662 59.018 0.002 0.000 1.390 230 C CB -0.409 27.347 27.740 0.028 0.000 1.918 230 C HN 0.929 nan 8.230 nan 0.000 0.438 231 D N 2.154 122.576 120.400 0.037 0.000 2.710 231 D HA 0.642 5.281 4.640 -0.001 0.000 0.276 231 D C -1.277 175.017 176.300 -0.011 0.000 1.267 231 D CA 0.158 54.180 54.000 0.037 0.000 0.772 231 D CB 2.109 42.944 40.800 0.059 0.000 1.299 231 D HN 0.627 nan 8.370 nan 0.000 0.421 232 S N 0.814 116.505 115.700 -0.015 0.000 2.603 232 S HA 0.725 5.195 4.470 -0.001 0.000 0.274 232 S C -1.460 173.105 174.600 -0.059 0.000 1.168 232 S CA -0.851 57.289 58.200 -0.100 0.000 0.963 232 S CB 1.721 64.807 63.200 -0.190 0.000 1.078 232 S HN 0.462 nan 8.310 nan 0.000 0.477 233 Q N 1.411 121.149 119.800 -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 -0.098 0.000 1.106 233 Q CA -0.592 55.224 55.803 0.023 0.000 0.814 233 Q CB 0.428 29.210 28.738 0.073 0.000 1.425 233 Q HN 0.761 nan 8.270 nan 0.000 0.437 234 W N 0.341 121.661 121.300 0.033 0.000 2.639 234 W HA 0.572 5.232 4.660 -0.001 0.000 0.347 234 W C -0.011 176.530 176.519 0.035 0.000 1.067 234 W CA -0.782 56.587 57.345 0.040 0.000 1.218 234 W CB 1.102 30.581 29.460 0.031 0.000 1.393 234 W HN 0.451 nan 8.180 nan 0.000 0.557 235 L N 2.772 124.152 121.223 0.261 0.000 2.906 235 L HA 0.234 4.573 4.340 -0.001 0.000 0.255 235 L C 1.666 178.631 176.870 0.158 0.000 1.166 235 L CA 0.903 55.841 54.840 0.163 0.000 0.977 235 L CB -0.747 41.376 42.059 0.106 0.000 1.313 235 L HN 1.013 nan 8.230 nan 0.000 0.549 236 G N 1.077 110.006 108.800 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 0.989 175.973 174.900 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 0.353 120.836 120.400 0.138 0.000 2.388 237 D HA 0.190 4.829 4.640 -0.001 0.000 0.208 237 D C 1.230 177.634 176.300 0.173 0.000 1.035 237 D CA 1.174 55.252 54.000 0.129 0.000 0.875 237 D CB 0.190 41.045 40.800 0.092 0.000 0.984 237 D HN 0.864 nan 8.370 nan 0.000 0.508 238 R N -1.747 118.865 120.500 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 55.235 56.100 0.190 0.000 0.865 238 R CB 1.075 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 1.630 121.597 119.914 0.088 0.000 2.686 239 V HA 0.564 4.684 4.120 -0.001 0.000 0.306 239 V C -1.575 174.488 176.094 -0.051 0.000 1.065 239 V CA -0.878 61.323 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 5.595 126.081 120.570 -0.140 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 -0.135 0.000 0.994 240 I CA 0.072 61.333 61.300 -0.064 0.000 1.191 240 I CB 2.054 40.014 38.000 -0.066 0.000 1.343 240 I HN 0.783 nan 8.210 nan 0.000 0.458 241 T N 1.453 115.970 114.554 -0.061 0.000 2.756 241 T HA 0.597 4.946 4.350 -0.001 0.000 0.290 241 T C -0.070 174.600 174.700 -0.049 0.000 0.985 241 T CA -0.681 61.337 62.100 -0.137 0.000 0.955 241 T CB 0.522 69.240 68.868 -0.250 0.000 0.930 241 T HN 0.474 nan 8.240 nan 0.000 0.451 242 T N 2.896 117.415 114.554 -0.059 0.000 2.794 242 T HA 0.637 4.987 4.350 -0.001 0.000 0.280 242 T C -0.301 174.374 174.700 -0.042 0.000 0.987 242 T CA -0.737 61.336 62.100 -0.045 0.000 0.993 242 T CB 1.449 70.295 68.868 -0.036 0.000 0.939 242 T HN 0.703 nan 8.240 nan 0.000 0.449 243 S N 1.936 117.599 115.700 -0.061 0.000 2.571 243 S HA 0.684 5.154 4.470 -0.001 0.000 0.284 243 S C -0.934 173.546 174.600 -0.198 0.000 1.128 243 S CA -0.537 57.606 58.200 -0.096 0.000 0.970 243 S CB 1.205 64.382 63.200 -0.037 0.000 1.039 243 S HN 0.665 nan 8.310 nan 0.000 0.485 244 T N 5.327 119.662 114.554 -0.365 0.000 2.881 244 T HA 0.665 5.015 4.350 -0.001 0.000 0.290 244 T C -0.957 173.363 174.700 -0.633 0.000 1.000 244 T CA -0.840 60.883 62.100 -0.628 0.000 0.978 244 T CB 1.088 69.237 68.868 -1.199 0.000 0.997 244 T HN 0.505 nan 8.240 nan 0.000 0.443 245 R N 1.236 121.570 120.500 -0.276 0.000 2.836 245 R HA 0.637 4.977 4.340 -0.001 0.000 0.269 245 R C -0.816 175.618 176.300 0.224 0.000 1.010 245 R CA -0.816 55.352 56.100 0.114 0.000 0.930 245 R CB 1.681 32.192 30.300 0.351 0.000 1.218 245 R HN 0.564 nan 8.270 nan 0.000 0.473 246 T N 2.617 117.360 114.554 0.315 0.000 2.799 246 T HA 0.514 4.864 4.350 -0.001 0.000 0.286 246 T C -0.194 174.461 174.700 -0.074 0.000 0.973 246 T CA -0.624 61.516 62.100 0.067 0.000 1.035 246 T CB 0.662 69.562 68.868 0.054 0.000 0.932 246 T HN 0.456 nan 8.240 nan 0.000 0.469 247 W N 0.668 121.809 121.300 -0.265 0.000 2.799 247 W HA 0.836 5.495 4.660 -0.001 0.000 0.349 247 W C -1.303 174.993 176.519 -0.371 0.000 1.100 247 W CA -1.715 55.196 57.345 -0.724 0.000 1.174 247 W CB 1.391 30.498 29.460 -0.588 0.000 1.427 247 W HN 0.730 nan 8.180 nan 0.000 0.547 248 A N 2.737 125.543 122.820 -0.023 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 0.105 0.000 0.724 248 A CB 1.980 20.963 19.000 -0.027 0.000 1.267 248 A HN 0.675 nan 8.150 nan 0.000 0.418 249 L N 3.672 125.067 121.223 0.286 0.000 2.404 249 L HA 0.689 5.029 4.340 -0.001 0.000 0.272 249 L C -2.682 174.239 176.870 0.086 0.000 0.980 249 L CA -1.586 53.351 54.840 0.162 0.000 0.836 249 L CB 2.123 44.274 42.059 0.153 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 -1.049 176.094 177.300 -0.263 0.000 1.304 250 P CA -0.420 62.540 63.100 -0.234 0.000 0.767 250 P CB 0.541 31.931 31.700 -0.516 0.000 1.247 251 T N 0.615 115.001 114.554 -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 -0.345 0.000 0.977 251 T CA 0.081 62.006 62.100 -0.293 0.000 0.961 251 T CB -0.847 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 2.085 122.280 120.300 -0.175 0.000 2.301 252 Y HA 0.188 4.738 4.550 -0.001 0.000 0.328 252 Y C 1.684 177.499 175.900 -0.143 0.000 1.242 252 Y CA -0.214 57.811 58.100 -0.126 0.000 1.323 252 Y CB 0.410 38.825 38.460 -0.075 0.000 1.266 252 Y HN 0.707 nan 8.280 nan 0.000 0.527 253 N N 1.938 120.693 118.700 0.092 0.000 2.650 253 N HA -0.395 4.345 4.740 -0.001 0.000 0.249 253 N C -0.364 175.138 175.510 -0.012 0.000 1.155 253 N CA 0.771 53.846 53.050 0.042 0.000 0.747 253 N CB -0.598 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 -0.559 174.898 175.510 -0.089 0.000 1.024 254 N CA 2.032 54.999 53.050 -0.138 0.000 0.726 254 N CB -1.747 36.751 38.487 0.017 0.000 0.908 254 N HN 0.721 nan 8.380 nan 0.000 0.542 255 H N -2.728 116.297 119.070 -0.076 0.000 2.861 255 H HA -0.203 4.353 4.556 -0.001 0.000 0.289 255 H C -0.159 175.144 175.328 -0.042 0.000 1.176 255 H CA 1.212 57.165 56.048 -0.159 0.000 1.146 255 H CB -1.138 28.389 29.762 -0.391 0.000 1.330 255 H HN 0.352 nan 8.280 nan 0.000 0.379 256 L N 0.135 121.401 121.223 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 0.102 0.000 0.991 256 L CA -1.028 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 0.021 nan 8.230 nan 0.000 0.413 257 Y N 2.079 122.531 120.300 0.254 0.000 2.336 257 Y HA 0.323 4.872 4.550 -0.001 0.000 0.335 257 Y C 0.030 176.087 175.900 0.262 0.000 1.046 257 Y CA -0.163 58.124 58.100 0.312 0.000 1.198 257 Y CB 1.014 39.727 38.460 0.422 0.000 1.182 257 Y HN 0.284 nan 8.280 nan 0.000 0.502 258 K N 2.877 123.487 120.400 0.350 0.000 2.270 258 K HA 0.224 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 -1.058 55.354 56.287 0.210 0.000 0.809 258 K CB 1.965 34.531 32.500 0.109 0.000 1.131 258 K HN 0.597 nan 8.250 nan 0.000 0.427 259 Q N 5.116 124.924 119.800 0.014 0.000 2.307 259 Q HA 0.194 4.534 4.340 -0.001 0.000 0.261 259 Q C -0.525 175.224 176.000 -0.418 0.000 1.051 259 Q CA -0.333 55.227 55.803 -0.404 0.000 0.911 259 Q CB 0.200 28.743 28.738 -0.324 0.000 1.227 259 Q HN 0.581 nan 8.270 nan 0.000 0.418 260 I N 1.029 121.258 120.570 -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 1.866 117.255 115.700 -0.517 0.000 2.661 261 S HA 0.468 4.938 4.470 -0.001 0.000 0.268 261 S C -0.560 173.497 174.600 -0.905 0.000 1.162 261 S CA -0.591 57.148 58.200 -0.768 0.000 0.817 261 S CB 0.874 63.935 63.200 -0.231 0.000 1.141 261 S HN 0.994 nan 8.310 nan 0.000 0.477 262 S N 1.147 116.365 115.700 -0.803 0.000 2.576 262 S HA 0.357 4.826 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 -0.552 57.508 58.200 -0.233 0.000 1.039 262 S CB 0.292 63.557 63.200 0.109 0.000 0.902 262 S HN 0.769 nan 8.310 nan 0.000 0.516 263 Q N 1.460 121.281 119.800 0.034 0.000 2.349 263 Q HA 0.055 4.395 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 56.197 55.803 0.023 0.000 0.918 263 Q CB 0.549 29.298 28.738 0.017 0.000 1.242 263 Q HN 0.827 nan 8.270 nan 0.000 0.405 264 S N 2.501 118.221 115.700 0.033 0.000 2.711 264 S HA 0.211 4.681 4.470 -0.001 0.000 0.335 264 S C 0.681 175.310 174.600 0.049 0.000 1.175 264 S CA 0.422 58.649 58.200 0.045 0.000 1.372 264 S CB -0.744 62.468 63.200 0.020 0.000 1.337 264 S HN 0.812 nan 8.310 nan 0.000 0.572 265 G N 2.014 110.868 108.800 0.091 0.000 2.353 265 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.294 265 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.294 265 G C 0.465 175.369 174.900 0.007 0.000 1.077 265 G CA -0.021 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 -1.072 121.727 122.820 -0.035 0.000 2.127 266 A HA 0.817 5.136 4.320 -0.001 0.000 0.204 266 A C 1.087 178.604 177.584 -0.112 0.000 1.243 266 A CA 1.604 53.606 52.037 -0.060 0.000 0.887 266 A CB 0.833 19.806 19.000 -0.044 0.000 0.933 266 A HN 1.547 nan 8.150 nan 0.000 0.479 267 S N -1.967 113.608 115.700 -0.208 0.000 2.552 267 S HA 0.342 4.811 4.470 -0.001 0.000 0.272 267 S C 0.039 174.381 174.600 -0.431 0.000 1.150 267 S CA -0.412 57.638 58.200 -0.251 0.000 0.849 267 S CB 1.295 64.365 63.200 -0.216 0.000 1.113 267 S HN 0.407 nan 8.310 nan 0.000 0.458 268 N N 0.692 119.268 118.700 -0.206 0.000 2.508 268 N HA 0.033 4.773 4.740 -0.001 0.000 0.186 268 N C 0.015 175.567 175.510 0.070 0.000 1.034 268 N CA 0.207 53.247 53.050 -0.017 0.000 0.885 268 N CB 0.128 38.666 38.487 0.085 0.000 1.135 268 N HN 0.511 nan 8.380 nan 0.000 0.435 269 D N 0.645 121.054 120.400 0.014 0.000 2.363 269 D HA 0.030 4.670 4.640 -0.001 0.000 0.226 269 D C -0.022 176.291 176.300 0.021 0.000 1.020 269 D CA 0.631 54.669 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 0.407 nan 8.370 nan 0.000 0.531 270 N N -0.609 118.062 118.700 -0.049 0.000 2.200 270 N HA 0.006 4.745 4.740 -0.001 0.000 0.224 270 N C 0.039 175.594 175.510 0.074 0.000 1.179 270 N CA -0.355 52.674 53.050 -0.036 0.000 0.877 270 N CB 0.738 39.155 38.487 -0.116 0.000 1.072 270 N HN 0.069 nan 8.380 nan 0.000 0.519 271 H N 1.119 120.274 119.070 0.141 0.000 2.871 271 H HA 0.045 4.601 4.556 -0.001 0.000 0.355 271 H C -0.425 175.078 175.328 0.291 0.000 1.092 271 H CA 0.678 56.833 56.048 0.179 0.000 1.420 271 H CB 0.368 30.185 29.762 0.092 0.000 1.400 271 H HN 0.259 nan 8.280 nan 0.000 0.604 272 Y N 0.555 120.978 120.300 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 0.073 0.000 1.327 272 Y HN 0.403 nan 8.280 nan 0.000 0.456 273 F N 1.282 121.201 119.950 -0.051 0.000 2.588 273 F HA 0.833 5.360 4.527 -0.001 0.000 0.314 273 F C -0.346 175.406 175.800 -0.081 0.000 1.134 273 F CA 0.036 57.917 58.000 -0.199 0.000 0.961 273 F CB 1.968 40.876 39.000 -0.155 0.000 1.239 273 F HN 1.087 nan 8.300 nan 0.000 0.448 274 G N 2.932 111.224 108.800 -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 -0.580 44.137 45.100 -0.639 0.000 0.871 274 G HN 0.516 nan 8.290 nan 0.000 0.492 275 Y N -0.891 119.042 120.300 -0.611 0.000 2.588 275 Y HA 0.728 5.278 4.550 -0.001 0.000 0.343 275 Y C 0.093 175.841 175.900 -0.253 0.000 1.065 275 Y CA -0.796 57.074 58.100 -0.384 0.000 1.038 275 Y CB 2.603 40.947 38.460 -0.194 0.000 1.297 275 Y HN 0.538 nan 8.280 nan 0.000 0.467 276 S N 1.302 117.078 115.700 0.126 0.000 2.456 276 S HA 0.573 5.043 4.470 -0.001 0.000 0.316 276 S C -0.593 174.135 174.600 0.213 0.000 1.089 276 S CA -0.538 57.728 58.200 0.111 0.000 1.101 276 S CB 0.201 63.434 63.200 0.056 0.000 0.995 276 S HN 0.701 nan 8.310 nan 0.000 0.468 277 T N 2.732 117.420 114.554 0.223 0.000 2.902 277 T HA 0.564 4.913 4.350 -0.001 0.000 0.283 277 T C -2.424 172.288 174.700 0.021 0.000 1.009 277 T CA -2.080 60.094 62.100 0.124 0.000 1.051 277 T CB 1.375 70.554 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 -0.689 176.570 177.300 -0.068 0.000 1.197 278 P CA 0.042 63.072 63.100 -0.116 0.000 0.765 278 P CB -0.084 31.463 31.700 -0.255 0.000 0.936 279 W N 0.324 121.608 121.300 -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 -0.044 57.299 57.345 -0.004 0.000 1.266 279 W CB 0.687 30.137 29.460 -0.017 0.000 1.195 279 W HN -0.190 nan 8.180 nan 0.000 0.599 280 G N 0.567 109.462 108.800 0.159 0.000 2.705 280 G HA2 0.738 4.697 3.960 -0.001 0.000 0.299 280 G HA3 0.738 4.697 3.960 -0.001 0.000 0.299 280 G C -1.970 172.929 174.900 -0.001 0.000 1.315 280 G CA -0.711 44.364 45.100 -0.042 0.000 1.045 280 G HN 0.574 nan 8.290 nan 0.000 0.517 281 Y N -2.924 117.228 120.300 -0.247 0.000 2.624 281 Y HA 0.733 5.283 4.550 -0.001 0.000 0.334 281 Y C -1.788 173.918 175.900 -0.322 0.000 1.155 281 Y CA -2.187 55.756 58.100 -0.261 0.000 1.046 281 Y CB 1.066 39.412 38.460 -0.190 0.000 1.316 281 Y HN 0.395 nan 8.280 nan 0.000 0.457 282 F N 1.548 121.550 119.950 0.087 0.000 2.422 282 F HA 0.566 5.093 4.527 -0.001 0.000 0.333 282 F C -0.266 175.635 175.800 0.168 0.000 1.095 282 F CA -0.079 58.010 58.000 0.149 0.000 1.038 282 F CB 1.698 40.864 39.000 0.276 0.000 1.156 282 F HN 0.636 nan 8.300 nan 0.000 0.483 283 D N 1.713 122.306 120.400 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 53.524 54.000 0.067 0.000 0.833 283 D CB 1.291 42.142 40.800 0.085 0.000 1.607 283 D HN 0.289 nan 8.370 nan 0.000 0.463 284 F N 0.608 120.658 119.950 0.167 0.000 2.656 284 F HA 0.386 4.912 4.527 -0.001 0.000 0.363 284 F C 0.304 176.153 175.800 0.082 0.000 1.313 284 F CA -0.813 57.248 58.000 0.103 0.000 1.089 284 F CB -0.974 38.179 39.000 0.254 0.000 1.247 284 F HN 0.279 nan 8.300 nan 0.000 0.509 285 N N 1.835 120.367 118.700 -0.279 0.000 2.581 285 N HA 0.133 4.873 4.740 -0.001 0.000 0.230 285 N C -0.381 174.925 175.510 -0.340 0.000 1.310 285 N CA 0.011 52.700 53.050 -0.601 0.000 0.886 285 N CB 0.184 38.122 38.487 -0.915 0.000 1.205 285 N HN 0.370 nan 8.380 nan 0.000 0.488 286 R N -0.412 119.964 120.500 -0.205 0.000 2.628 286 R HA 0.193 4.532 4.340 -0.001 0.000 0.288 286 R C 0.016 176.191 176.300 -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 30.925 30.300 -0.527 0.000 1.188 286 R HN 0.129 nan 8.270 nan 0.000 0.450 287 F N 1.015 120.962 119.950 -0.006 0.000 2.216 287 F HA -0.184 4.343 4.527 -0.001 0.000 0.300 287 F C 2.316 178.156 175.800 0.066 0.000 1.085 287 F CA 1.700 59.788 58.000 0.146 0.000 1.326 287 F CB -0.071 38.837 39.000 -0.153 0.000 1.027 287 F HN 0.721 nan 8.300 nan 0.000 0.497 288 H N -2.789 116.346 119.070 0.109 0.000 2.561 288 H HA -0.039 4.516 4.556 -0.001 0.000 0.278 288 H C 1.752 177.093 175.328 0.022 0.000 1.014 288 H CA 0.580 56.653 56.048 0.042 0.000 1.211 288 H CB -1.414 28.348 29.762 -0.000 0.000 1.365 288 H HN 0.248 nan 8.280 nan 0.000 0.594 289 C N 0.669 119.828 119.300 -0.236 0.000 2.432 289 C HA -0.033 4.427 4.460 -0.001 0.000 0.280 289 C C 1.847 176.604 174.990 -0.388 0.000 1.353 289 C CA 1.011 59.816 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 -2.784 116.406 119.070 0.199 0.000 2.521 290 H HA 0.244 4.799 4.556 -0.001 0.000 0.267 290 H C 0.128 175.416 175.328 -0.065 0.000 0.963 290 H CA 0.193 56.289 56.048 0.080 0.000 1.175 290 H CB -0.201 29.661 29.762 0.167 0.000 1.450 290 H HN 0.311 nan 8.280 nan 0.000 0.472 291 F N 2.895 122.983 119.950 0.229 0.000 2.394 291 F HA 0.261 4.788 4.527 -0.001 0.000 0.340 291 F C 1.141 177.016 175.800 0.125 0.000 1.105 291 F CA -0.856 57.243 58.000 0.165 0.000 1.124 291 F CB 1.206 40.362 39.000 0.260 0.000 1.145 291 F HN -0.037 nan 8.300 nan 0.000 0.505 292 S N 2.734 118.598 115.700 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 -1.170 57.144 58.200 0.189 0.000 0.998 292 S CB 1.509 64.800 63.200 0.152 0.000 0.953 292 S HN 0.344 nan 8.310 nan 0.000 0.547 293 P HA -0.174 nan 4.420 nan 0.000 0.216 293 P C 1.712 179.005 177.300 -0.013 0.000 1.157 293 P CA 1.308 64.312 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 0.342 120.883 120.500 0.069 0.000 2.070 294 R HA -0.143 4.197 4.340 -0.001 0.000 0.233 294 R C 1.836 178.226 176.300 0.149 0.000 1.137 294 R CA 2.058 58.217 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 -0.350 120.211 120.400 0.268 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 1.944 123.295 121.300 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 29.226 29.460 -0.245 0.000 1.140 296 W HN 0.119 nan 8.180 nan 0.000 0.523 297 Q N 0.341 120.109 119.800 -0.053 0.000 2.020 297 Q HA -0.234 4.105 4.340 -0.001 0.000 0.202 297 Q C 2.433 178.305 176.000 -0.213 0.000 0.982 297 Q CA 2.153 57.860 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 0.361 120.752 120.500 -0.181 0.000 2.094 298 R HA -0.190 4.149 4.340 -0.001 0.000 0.239 298 R C 2.529 178.622 176.300 -0.345 0.000 1.137 298 R CA 1.703 57.605 56.100 -0.330 0.000 0.943 298 R CB -0.799 29.157 30.300 -0.574 0.000 0.850 298 R HN 0.354 nan 8.270 nan 0.000 0.433 299 L N 0.810 121.892 121.223 -0.236 0.000 1.956 299 L HA -0.258 4.082 4.340 -0.001 0.000 0.216 299 L C 2.237 178.888 176.870 -0.366 0.000 1.073 299 L CA 1.534 56.233 54.840 -0.236 0.000 0.762 299 L CB -0.287 41.498 42.059 -0.456 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 1.948 177.939 176.117 -0.211 0.000 1.085 300 I CA 1.527 62.555 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 1.031 119.598 118.700 -0.221 0.000 2.521 301 N HA -0.058 4.682 4.740 -0.001 0.000 0.188 301 N C 1.071 176.537 175.510 -0.072 0.000 1.146 301 N CA 0.450 53.430 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 -0.281 118.362 118.700 -0.094 0.000 2.266 302 N HA 0.090 4.829 4.740 -0.001 0.000 0.217 302 N C -0.617 174.855 175.510 -0.063 0.000 1.211 302 N CA 0.014 53.001 53.050 -0.105 0.000 0.881 302 N CB 0.785 39.168 38.487 -0.173 0.000 1.153 302 N HN 0.150 nan 8.380 nan 0.000 0.489 303 N N -0.144 118.576 118.700 0.033 0.000 2.342 303 N HA 0.141 4.880 4.740 -0.001 0.000 0.293 303 N C 0.334 176.058 175.510 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 0.171 0.000 1.256 303 N HN 0.143 nan 8.380 nan 0.000 0.484 304 W N 1.919 123.240 121.300 0.034 0.000 2.321 304 W HA -0.127 4.533 4.660 -0.001 0.000 0.306 304 W C 1.120 177.728 176.519 0.149 0.000 1.217 304 W CA 0.266 57.629 57.345 0.030 0.000 1.257 304 W CB 0.343 29.733 29.460 -0.117 0.000 1.145 304 W HN 0.591 nan 8.180 nan 0.000 0.509 305 G N -1.857 107.198 108.800 0.425 0.000 2.550 305 G HA2 0.467 4.427 3.960 -0.001 0.000 0.293 305 G HA3 0.467 4.427 3.960 -0.001 0.000 0.293 305 G C -1.821 173.534 174.900 0.759 0.000 1.402 305 G CA -0.658 44.733 45.100 0.483 0.000 0.784 305 G HN 0.088 nan 8.290 nan 0.000 0.482 306 F N -1.315 119.078 119.950 0.737 0.000 2.779 306 F HA 0.945 5.472 4.527 -0.001 0.000 0.316 306 F C -0.760 175.287 175.800 0.412 0.000 1.164 306 F CA -1.366 57.010 58.000 0.626 0.000 0.924 306 F CB 1.649 40.879 39.000 0.383 0.000 1.348 306 F HN 0.928 nan 8.300 nan 0.000 0.467 307 R N -0.354 120.347 120.500 0.336 0.000 2.712 307 R HA 0.689 5.028 4.340 -0.001 0.000 0.272 307 R C -3.636 172.588 176.300 -0.128 0.000 1.032 307 R CA -1.933 54.020 56.100 -0.244 0.000 0.874 307 R CB 1.601 31.420 30.300 -0.802 0.000 1.256 307 R HN 0.374 nan 8.270 nan 0.000 0.468 308 P HA 0.314 nan 4.420 nan 0.000 0.278 308 P C -0.731 176.071 177.300 -0.830 0.000 1.238 308 P CA -0.580 61.760 63.100 -1.267 0.000 0.794 308 P CB 1.154 31.526 31.700 -2.213 0.000 0.955 309 K N 0.994 121.082 120.400 -0.520 0.000 2.537 309 K HA 0.281 4.600 4.320 -0.001 0.000 0.216 309 K C 0.400 177.033 176.600 0.054 0.000 1.349 309 K CA 0.756 56.944 56.287 -0.164 0.000 0.841 309 K CB 0.214 32.620 32.500 -0.157 0.000 1.659 309 K HN 0.349 nan 8.250 nan 0.000 0.435 310 K N 0.294 120.681 120.400 -0.022 0.000 2.331 310 K HA 0.552 4.871 4.320 -0.001 0.000 0.238 310 K C -1.225 175.364 176.600 -0.017 0.000 1.058 310 K CA -0.947 55.302 56.287 -0.064 0.000 0.871 310 K CB 1.716 34.141 32.500 -0.125 0.000 1.292 310 K HN -0.087 nan 8.250 nan 0.000 0.470 311 L N -0.353 120.823 121.223 -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 4.372 120.049 115.700 -0.037 0.000 2.779 312 S HA 0.573 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 0.736 63.877 63.200 -0.099 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 -0.140 175.722 175.800 0.102 0.000 1.113 313 F CA -0.404 57.654 58.000 0.097 0.000 1.022 313 F CB 0.819 39.993 39.000 0.291 0.000 1.128 313 F HN 0.385 nan 8.300 nan 0.000 0.466 314 K N 7.233 127.360 120.400 -0.454 0.000 2.513 314 K HA 0.557 4.876 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 55.593 56.287 -0.125 0.000 0.793 314 K CB 1.499 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 6.054 127.386 121.223 0.181 0.000 2.341 315 L HA 0.682 5.021 4.340 -0.001 0.000 0.278 315 L C -0.761 176.372 176.870 0.438 0.000 1.005 315 L CA -0.825 54.131 54.840 0.193 0.000 0.818 315 L CB 0.940 43.101 42.059 0.170 0.000 1.259 315 L HN 0.706 nan 8.230 nan 0.000 0.418 316 F N -0.512 119.549 119.950 0.185 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 56.648 58.000 0.148 0.000 0.910 316 F CB 1.083 40.136 39.000 0.087 0.000 1.411 316 F HN 0.459 nan 8.300 nan 0.000 0.492 317 N N 0.344 119.211 118.700 0.280 0.000 2.716 317 N HA -0.210 4.529 4.740 -0.001 0.000 0.250 317 N C -0.967 174.541 175.510 -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 1.006 121.617 120.570 0.069 0.000 2.588 318 I HA 0.012 4.182 4.170 -0.001 0.000 0.283 318 I C 0.520 176.634 176.117 -0.004 0.000 1.119 318 I CA 0.486 61.822 61.300 0.059 0.000 1.419 318 I CB 0.667 38.780 38.000 0.189 0.000 1.394 318 I HN 0.144 nan 8.210 nan 0.000 0.562 319 Q N 5.440 125.196 119.800 -0.073 0.000 2.305 319 Q HA 0.511 4.851 4.340 -0.001 0.000 0.271 319 Q C -1.374 174.550 176.000 -0.127 0.000 1.046 319 Q CA -0.771 54.975 55.803 -0.094 0.000 0.798 319 Q CB 3.130 31.791 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 -0.391 175.553 176.094 -0.251 0.000 1.022 320 V CA -0.707 61.493 62.300 -0.168 0.000 0.830 320 V CB 0.889 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 -0.491 55.489 56.287 -0.511 0.000 0.888 321 K CB 2.198 34.256 32.500 -0.736 0.000 1.078 321 K HN 0.861 nan 8.250 nan 0.000 0.459 322 E N 0.521 120.632 120.200 -0.147 0.000 2.166 322 E HA 0.421 4.771 4.350 -0.001 0.000 0.275 322 E C -0.754 175.878 176.600 0.053 0.000 0.941 322 E CA -0.995 55.392 56.400 -0.020 0.000 0.784 322 E CB 1.873 31.573 29.700 -0.002 0.000 1.115 322 E HN 0.122 nan 8.360 nan 0.000 0.399 323 V N 2.758 122.740 119.914 0.115 0.000 2.630 323 V HA 0.751 4.870 4.120 -0.001 0.000 0.305 323 V C -0.909 175.227 176.094 0.071 0.000 1.046 323 V CA -0.018 62.349 62.300 0.112 0.000 0.934 323 V CB 1.927 33.837 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 0.588 4.937 4.350 -0.001 0.000 0.290 324 T C -0.946 173.770 174.700 0.028 0.000 0.993 324 T CA -0.732 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 3.131 122.944 119.800 0.022 0.000 2.441 325 Q HA 0.405 4.745 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 -0.508 55.304 55.803 0.014 0.000 0.907 325 Q CB 0.623 29.367 28.738 0.009 0.000 1.269 325 Q HN 0.547 nan 8.270 nan 0.000 0.502 326 N N 1.381 120.088 118.700 0.011 0.000 2.124 326 N HA -0.069 4.671 4.740 -0.001 0.000 0.189 326 N C 0.123 175.636 175.510 0.006 0.000 1.050 326 N CA 1.216 54.271 53.050 0.009 0.000 0.848 326 N CB 0.353 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 -1.371 119.031 120.400 0.004 0.000 3.013 327 D HA 0.206 4.846 4.640 -0.001 0.000 0.256 327 D C 1.021 177.321 176.300 0.001 0.000 1.573 327 D CA 0.611 54.612 54.000 0.002 0.000 1.197 327 D CB -0.373 40.428 40.800 0.002 0.000 1.041 327 D HN 0.275 nan 8.370 nan 0.000 0.304 328 G N -0.093 108.707 108.800 -0.000 0.000 3.969 328 G HA2 0.246 4.206 3.960 -0.001 0.000 0.291 328 G HA3 0.246 4.206 3.960 -0.001 0.000 0.291 328 G C -0.293 174.606 174.900 -0.002 0.000 1.016 328 G CA 0.058 45.157 45.100 -0.002 0.000 0.819 328 G HN 0.219 nan 8.290 nan 0.000 0.493 329 T N 0.661 115.215 114.554 0.000 0.000 2.881 329 T HA 0.504 4.854 4.350 -0.001 0.000 0.291 329 T C -0.152 174.551 174.700 0.004 0.000 0.990 329 T CA -0.293 61.807 62.100 0.001 0.000 0.976 329 T CB 1.090 69.959 68.868 0.002 0.000 0.970 329 T HN 0.107 nan 8.240 nan 0.000 0.438 330 T N 2.745 117.300 114.554 0.003 0.000 2.723 330 T HA 0.511 4.861 4.350 -0.001 0.000 0.297 330 T C 0.476 175.184 174.700 0.015 0.000 0.925 330 T CA -0.774 61.331 62.100 0.008 0.000 1.030 330 T CB 0.224 69.092 68.868 0.000 0.000 0.905 330 T HN 0.728 nan 8.240 nan 0.000 0.502 331 T N 1.901 116.468 114.554 0.022 0.000 2.795 331 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 0.980 331 T CA -0.957 61.158 62.100 0.026 0.000 1.012 331 T CB 0.575 69.454 68.868 0.020 0.000 0.936 331 T HN 0.636 nan 8.240 nan 0.000 0.457 332 I N 1.990 122.589 120.570 0.048 0.000 2.433 332 I HA 0.731 4.901 4.170 -0.001 0.000 0.292 332 I C 0.219 176.357 176.117 0.034 0.000 1.001 332 I CA -1.044 60.298 61.300 0.071 0.000 1.119 332 I CB 1.677 39.753 38.000 0.126 0.000 1.289 332 I HN 0.955 nan 8.210 nan 0.000 0.438 333 A N 5.124 127.952 122.820 0.012 0.000 2.525 333 A HA 0.665 4.985 4.320 -0.001 0.000 0.291 333 A C -1.220 176.338 177.584 -0.042 0.000 1.268 333 A CA -0.782 51.249 52.037 -0.010 0.000 0.712 333 A CB 1.386 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 2.007 120.684 118.700 -0.038 0.000 2.422 334 N HA 0.254 4.994 4.740 -0.001 0.000 0.266 334 N C -1.267 174.219 175.510 -0.040 0.000 1.007 334 N CA -0.186 52.833 53.050 -0.052 0.000 0.941 334 N CB 1.248 39.711 38.487 -0.039 0.000 1.115 334 N HN 0.564 nan 8.380 nan 0.000 0.492 335 N N 3.799 122.468 118.700 -0.052 0.000 2.955 335 N HA 0.200 4.940 4.740 -0.001 0.000 0.242 335 N C 1.048 176.542 175.510 -0.028 0.000 1.123 335 N CA -0.267 52.763 53.050 -0.032 0.000 0.949 335 N CB 0.162 38.630 38.487 -0.031 0.000 1.214 335 N HN 0.486 nan 8.380 nan 0.000 0.504 336 L N 0.540 121.752 121.223 -0.018 0.000 2.046 336 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 336 L C 2.002 178.871 176.870 -0.002 0.000 1.077 336 L CA 1.531 56.364 54.840 -0.010 0.000 0.747 336 L CB -0.755 41.301 42.059 -0.005 0.000 0.896 336 L HN 0.505 nan 8.230 nan 0.000 0.432 337 T N -3.963 110.590 114.554 -0.001 0.000 3.227 337 T HA -0.011 4.339 4.350 -0.001 0.000 0.257 337 T C 0.817 175.518 174.700 0.002 0.000 1.162 337 T CA 0.018 62.120 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 1.594 117.292 115.700 -0.003 0.000 2.616 338 S HA 0.599 5.069 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 -0.572 57.624 58.200 -0.006 0.000 1.028 338 S CB 1.067 64.257 63.200 -0.016 0.000 0.988 338 S HN 0.715 nan 8.310 nan 0.000 0.522 339 T N 0.049 114.604 114.554 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 0.015 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 0.188 120.126 119.914 0.039 0.000 3.040 340 V HA 0.593 4.713 4.120 -0.001 0.000 0.312 340 V C -1.649 174.469 176.094 0.039 0.000 1.115 340 V CA -0.829 61.487 62.300 0.027 0.000 0.998 340 V CB 2.267 34.136 31.823 0.077 0.000 1.042 340 V HN 1.059 nan 8.190 nan 0.000 0.433 341 Q N 3.228 123.036 119.800 0.013 0.000 2.330 341 Q HA 0.736 5.075 4.340 -0.001 0.000 0.269 341 Q C -1.566 174.568 176.000 0.223 0.000 1.022 341 Q CA -0.643 55.232 55.803 0.119 0.000 0.796 341 Q CB 2.536 31.358 28.738 0.140 0.000 1.271 341 Q HN 0.564 nan 8.270 nan 0.000 0.450 342 V N 2.990 123.000 119.914 0.160 0.000 2.823 342 V HA 0.756 4.876 4.120 -0.001 0.000 0.312 342 V C -0.771 175.352 176.094 0.048 0.000 1.072 342 V CA -0.900 61.367 62.300 -0.055 0.000 0.937 342 V CB 1.400 32.864 31.823 -0.599 0.000 1.013 342 V HN 0.778 nan 8.190 nan 0.000 0.430 343 F N 0.308 120.094 119.950 -0.273 0.000 2.703 343 F HA 0.727 5.254 4.527 -0.001 0.000 0.308 343 F C -0.904 174.683 175.800 -0.356 0.000 1.126 343 F CA -0.628 57.232 58.000 -0.233 0.000 0.959 343 F CB 1.850 40.745 39.000 -0.176 0.000 1.297 343 F HN 0.462 nan 8.300 nan 0.000 0.441 344 T N 1.504 115.903 114.554 -0.258 0.000 2.786 344 T HA 0.275 4.625 4.350 -0.001 0.000 0.283 344 T C -1.159 173.336 174.700 -0.343 0.000 0.992 344 T CA -0.383 61.404 62.100 -0.522 0.000 0.954 344 T CB 0.584 69.021 68.868 -0.717 0.000 0.934 344 T HN 0.824 nan 8.240 nan 0.000 0.440 345 D N 3.597 123.709 120.400 -0.479 0.000 2.441 345 D HA 0.222 4.862 4.640 -0.001 0.000 0.243 345 D C 0.820 176.866 176.300 -0.422 0.000 1.257 345 D CA 0.102 53.899 54.000 -0.339 0.000 1.027 345 D CB 0.119 40.676 40.800 -0.405 0.000 1.084 345 D HN 0.449 nan 8.370 nan 0.000 0.514 346 S N 2.297 117.806 115.700 -0.318 0.000 2.503 346 S HA 0.002 4.472 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 -0.078 57.884 58.200 -0.397 0.000 0.910 346 S CB 0.210 63.339 63.200 -0.118 0.000 0.790 346 S HN 0.544 nan 8.310 nan 0.000 0.514 347 E N 0.460 120.549 120.200 -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 -0.192 56.197 56.400 -0.019 0.000 0.866 347 E CB -0.125 29.595 29.700 0.034 0.000 0.916 347 E HN 0.545 nan 8.360 nan 0.000 0.500 348 Y N 0.390 120.708 120.300 0.029 0.000 3.078 348 Y HA -0.302 4.247 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 -2.261 36.201 38.460 0.004 0.000 1.343 348 Y HN 0.206 nan 8.280 nan 0.000 0.499 349 Q N -0.248 119.593 119.800 0.069 0.000 2.378 349 Q HA 0.265 4.605 4.340 -0.001 0.000 0.216 349 Q C 0.362 176.244 176.000 -0.196 0.000 0.892 349 Q CA 0.091 55.907 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 2.408 123.481 121.223 -0.251 0.000 2.312 350 L HA 0.355 4.694 4.340 -0.001 0.000 0.281 350 L C -2.208 174.520 176.870 -0.238 0.000 1.070 350 L CA -2.318 52.245 54.840 -0.461 0.000 0.805 350 L CB 0.891 42.615 42.059 -0.558 0.000 1.174 350 L HN -0.168 nan 8.230 nan 0.000 0.434 351 P HA -0.142 nan 4.420 nan 0.000 0.258 351 P C -1.038 176.319 177.300 0.095 0.000 1.172 351 P CA 0.233 63.337 63.100 0.006 0.000 0.762 351 P CB -0.023 31.716 31.700 0.065 0.000 0.764 352 Y N 3.963 124.272 120.300 0.016 0.000 2.531 352 Y HA 0.115 4.664 4.550 -0.001 0.000 0.347 352 Y C 1.291 177.195 175.900 0.007 0.000 1.024 352 Y CA 0.408 58.520 58.100 0.020 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 6.995 126.744 119.914 -0.276 0.000 3.621 353 V HA 0.158 4.277 4.120 -0.001 0.000 0.285 353 V C 0.458 176.362 176.094 -0.316 0.000 1.346 353 V CA 0.219 62.364 62.300 -0.259 0.000 1.104 353 V CB -0.470 31.123 31.823 -0.383 0.000 0.913 353 V HN 0.580 nan 8.190 nan 0.000 0.432 354 L N 0.116 121.031 121.223 -0.513 0.000 2.468 354 L HA 0.568 4.908 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 0.514 55.138 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 0.503 109.237 108.800 -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 45.434 45.100 -0.067 0.000 0.791 355 G HN 0.538 nan 8.290 nan 0.000 0.502 356 S N -0.546 115.177 115.700 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 1.025 59.237 58.200 0.020 0.000 1.038 356 S CB 0.674 63.965 63.200 0.152 0.000 0.960 356 S HN 2.187 nan 8.310 nan 0.000 0.548 357 A N 1.510 124.290 122.820 -0.067 0.000 2.861 357 A HA -0.214 4.105 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 0.882 52.879 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 0.095 119.160 119.070 -0.008 0.000 2.745 358 H HA 0.297 4.853 4.556 -0.001 0.000 0.373 358 H C 0.944 176.293 175.328 0.034 0.000 1.226 358 H CA 0.856 56.912 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 -0.872 119.040 119.800 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 1.683 30.482 28.738 0.102 0.000 1.222 359 Q HN 0.971 nan 8.270 nan 0.000 0.482 360 G N -0.495 108.348 108.800 0.072 0.000 2.159 360 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.170 360 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.170 360 G C 0.221 175.097 174.900 -0.040 0.000 1.007 360 G CA -0.372 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 0.267 119.547 119.300 -0.033 0.000 2.827 361 C HA 0.558 5.017 4.460 -0.001 0.000 0.287 361 C C 1.610 176.423 174.990 -0.294 0.000 1.497 361 C CA -0.345 58.616 59.018 -0.095 0.000 2.161 361 C CB -0.327 27.387 27.740 -0.042 0.000 2.120 361 C HN 0.493 nan 8.230 nan 0.000 0.676 362 L N 2.144 123.216 121.223 -0.252 0.000 2.380 362 L HA 0.260 4.600 4.340 -0.001 0.000 0.273 362 L C -2.116 174.720 176.870 -0.057 0.000 1.138 362 L CA -1.239 53.394 54.840 -0.344 0.000 0.832 362 L CB 0.029 41.989 42.059 -0.166 0.000 1.124 362 L HN 0.390 nan 8.230 nan 0.000 0.454 363 P HA 0.038 nan 4.420 nan 0.000 0.265 363 P C -2.063 175.337 177.300 0.166 0.000 1.193 363 P CA -0.904 62.283 63.100 0.146 0.000 0.765 363 P CB 0.211 32.029 31.700 0.198 0.000 0.823 364 P HA -0.140 nan 4.420 nan 0.000 0.215 364 P C 0.257 177.538 177.300 -0.031 0.000 1.157 364 P CA 1.161 64.324 63.100 0.106 0.000 0.868 364 P CB -0.046 31.590 31.700 -0.105 0.000 0.788 365 F N 0.112 119.866 119.950 -0.327 0.000 2.420 365 F HA 0.245 4.772 4.527 -0.001 0.000 0.352 365 F C -1.628 174.125 175.800 -0.078 0.000 1.108 365 F CA -2.863 54.894 58.000 -0.405 0.000 1.162 365 F CB 0.786 39.478 39.000 -0.514 0.000 1.118 365 F HN -0.091 nan 8.300 nan 0.000 0.510 366 P HA -0.158 nan 4.420 nan 0.000 0.218 366 P C 1.023 178.291 177.300 -0.054 0.000 1.148 366 P CA 1.920 64.916 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 -0.318 0.000 2.119 367 A HA -0.057 4.263 4.320 -0.001 0.000 0.217 367 A C 0.759 178.448 177.584 0.175 0.000 1.153 367 A CA 0.768 52.795 52.037 -0.017 0.000 0.692 367 A CB -1.009 18.039 19.000 0.080 0.000 0.799 367 A HN 0.111 nan 8.150 nan 0.000 0.458 368 D N -0.416 120.136 120.400 0.253 0.000 2.345 368 D HA 0.416 5.056 4.640 -0.001 0.000 0.247 368 D C -0.206 176.250 176.300 0.260 0.000 1.108 368 D CA 0.166 54.323 54.000 0.261 0.000 0.894 368 D CB 1.393 42.362 40.800 0.283 0.000 1.203 368 D HN -0.015 nan 8.370 nan 0.000 0.430 369 V N 2.506 122.551 119.914 0.220 0.000 2.612 369 V HA 0.561 4.681 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 -0.744 61.681 62.300 0.208 0.000 0.946 369 V CB 0.957 32.829 31.823 0.082 0.000 1.003 369 V HN 0.446 nan 8.190 nan 0.000 0.459 370 F N 1.920 121.955 119.950 0.141 0.000 2.593 370 F HA 0.787 5.314 4.527 -0.001 0.000 0.320 370 F C -0.530 175.349 175.800 0.132 0.000 1.060 370 F CA -1.331 56.748 58.000 0.132 0.000 0.940 370 F CB 1.990 41.080 39.000 0.149 0.000 1.268 370 F HN 0.475 nan 8.300 nan 0.000 0.475 371 M N 3.543 123.241 119.600 0.163 0.000 2.209 371 M HA 0.507 4.987 4.480 -0.001 0.000 0.355 371 M C -1.338 175.046 176.300 0.139 0.000 1.171 371 M CA -0.851 54.481 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 8.275 128.189 119.914 0.001 0.000 2.439 372 V HA 0.192 4.312 4.120 -0.001 0.000 0.271 372 V C -1.995 174.026 176.094 -0.122 0.000 1.040 372 V CA -1.158 61.085 62.300 -0.095 0.000 1.002 372 V CB 0.149 31.764 31.823 -0.347 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 -0.783 0.000 0.959 374 Q N 0.223 119.639 119.800 -0.640 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 0.008 0.000 0.985 374 Q CA -0.828 54.551 55.803 -0.707 0.000 0.873 374 Q CB 0.680 28.702 28.738 -1.195 0.000 1.306 374 Q HN 0.361 nan 8.270 nan 0.000 0.447 375 Y N 1.365 121.676 120.300 0.017 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 5.808 114.307 108.800 -0.502 0.000 2.731 376 G HA2 0.492 4.451 3.960 -0.001 0.000 0.298 376 G HA3 0.492 4.451 3.960 -0.001 0.000 0.298 376 G C -2.243 172.405 174.900 -0.421 0.000 1.424 376 G CA -0.802 44.090 45.100 -0.345 0.000 1.029 376 G HN 0.741 nan 8.290 nan 0.000 0.518 377 Y N -0.115 120.001 120.300 -0.306 0.000 2.605 377 Y HA 0.839 5.389 4.550 -0.001 0.000 0.343 377 Y C -0.926 175.000 175.900 0.043 0.000 1.036 377 Y CA -1.636 56.363 58.100 -0.169 0.000 1.065 377 Y CB 1.591 39.993 38.460 -0.096 0.000 1.288 377 Y HN 0.459 nan 8.280 nan 0.000 0.481 378 L N 1.392 122.733 121.223 0.197 0.000 2.304 378 L HA 0.838 5.177 4.340 -0.001 0.000 0.268 378 L C -0.443 176.621 176.870 0.323 0.000 1.010 378 L CA -0.743 54.208 54.840 0.186 0.000 0.813 378 L CB 2.481 44.644 42.059 0.172 0.000 1.315 378 L HN 0.938 nan 8.230 nan 0.000 0.445 379 T N 0.007 114.745 114.554 0.307 0.000 2.812 379 T HA 0.356 4.706 4.350 -0.001 0.000 0.294 379 T C -1.043 173.823 174.700 0.277 0.000 1.159 379 T CA -0.715 61.590 62.100 0.340 0.000 1.008 379 T CB 1.602 70.724 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 0.353 4.692 4.340 -0.001 0.000 0.276 380 L C -0.089 176.864 176.870 0.138 0.000 1.212 380 L CA 0.388 55.326 54.840 0.163 0.000 0.893 380 L CB -0.691 41.443 42.059 0.125 0.000 1.138 380 L HN 0.900 nan 8.230 nan 0.000 0.491 381 N N 1.697 120.460 118.700 0.105 0.000 2.329 381 N HA 0.336 5.075 4.740 -0.001 0.000 0.282 381 N C -1.272 174.241 175.510 0.005 0.000 1.198 381 N CA -0.803 52.273 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 0.834 119.495 118.700 -0.065 0.000 3.044 382 N HA 0.392 5.132 4.740 -0.001 0.000 0.254 382 N C 0.554 175.986 175.510 -0.131 0.000 1.253 382 N CA 0.876 53.883 53.050 -0.072 0.000 0.944 382 N CB -0.227 38.212 38.487 -0.078 0.000 1.217 382 N HN 1.025 nan 8.380 nan 0.000 0.498 383 G N 1.834 110.548 108.800 -0.143 0.000 2.527 383 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.262 383 G HA3 -0.347 3.612 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 0.498 45.360 45.100 -0.396 0.000 0.954 383 G HN 0.719 nan 8.290 nan 0.000 0.552 384 S N 0.387 115.836 115.700 -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 1.463 59.585 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 0.489 120.168 119.800 -0.202 0.000 2.185 385 Q HA 0.749 5.089 4.340 -0.001 0.000 0.225 385 Q C -0.462 175.291 176.000 -0.411 0.000 0.983 385 Q CA -0.513 55.116 55.803 -0.290 0.000 0.950 385 Q CB 1.329 29.935 28.738 -0.220 0.000 1.176 385 Q HN 0.472 nan 8.270 nan 0.000 0.510 386 A N 0.306 122.766 122.820 -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 -0.284 0.000 1.132 386 A CA -0.619 51.078 52.037 -0.567 0.000 0.811 386 A CB 1.073 19.414 19.000 -1.097 0.000 1.313 386 A HN 0.443 nan 8.150 nan 0.000 0.454 387 V N 0.065 119.887 119.914 -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 -0.055 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 0.314 109.095 108.800 -0.033 0.000 2.471 388 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.219 388 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.219 388 G C 1.261 176.167 174.900 0.011 0.000 1.125 388 G CA 0.163 45.254 45.100 -0.014 0.000 0.775 388 G HN 0.652 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 4.528 4.340 -0.001 0.000 0.202 389 R C 0.592 176.932 176.300 0.066 0.000 0.933 389 R CA -0.178 55.946 56.100 0.041 0.000 1.054 389 R CB 0.164 30.490 30.300 0.044 0.000 0.985 389 R HN 0.181 nan 8.270 nan 0.000 0.489 390 S N 0.388 116.132 115.700 0.074 0.000 2.589 390 S HA 0.149 4.619 4.470 -0.001 0.000 0.265 390 S C 0.174 174.846 174.600 0.120 0.000 1.342 390 S CA -0.043 58.238 58.200 0.134 0.000 1.005 390 S CB 1.289 64.594 63.200 0.175 0.000 0.909 390 S HN 0.048 nan 8.310 nan 0.000 0.555 391 S N 1.204 116.981 115.700 0.129 0.000 2.532 391 S HA 0.538 5.008 4.470 -0.001 0.000 0.299 391 S C -1.180 173.322 174.600 -0.162 0.000 1.105 391 S CA -0.575 57.566 58.200 -0.098 0.000 1.018 391 S CB 0.870 63.932 63.200 -0.231 0.000 1.021 391 S HN 0.526 nan 8.310 nan 0.000 0.483 392 F N 3.884 123.570 119.950 -0.439 0.000 2.427 392 F HA 0.620 5.147 4.527 -0.001 0.000 0.346 392 F C -1.538 173.940 175.800 -0.538 0.000 1.120 392 F CA -1.253 56.462 58.000 -0.476 0.000 1.033 392 F CB 0.450 39.191 39.000 -0.432 0.000 1.126 392 F HN 0.548 nan 8.300 nan 0.000 0.462 393 Y N 5.221 125.183 120.300 -0.562 0.000 2.341 393 Y HA 0.457 5.007 4.550 -0.001 0.000 0.338 393 Y C -0.285 175.140 175.900 -0.791 0.000 0.965 393 Y CA -0.954 56.797 58.100 -0.581 0.000 1.108 393 Y CB 1.673 39.877 38.460 -0.426 0.000 1.180 393 Y HN 0.721 nan 8.280 nan 0.000 0.458 394 C N 5.953 124.951 119.300 -0.504 0.000 2.281 394 C HA 0.406 4.866 4.460 -0.001 0.000 0.323 394 C C 0.825 175.825 174.990 0.017 0.000 1.270 394 C CA -0.730 58.004 59.018 -0.473 0.000 1.559 394 C CB -0.971 26.468 27.740 -0.502 0.000 2.239 394 C HN 0.976 nan 8.230 nan 0.000 0.488 395 L N 4.386 125.687 121.223 0.129 0.000 2.622 395 L HA 0.096 4.436 4.340 -0.001 0.000 0.233 395 L C 2.231 179.139 176.870 0.063 0.000 1.156 395 L CA 1.301 56.100 54.840 -0.068 0.000 0.866 395 L CB -0.467 41.178 42.059 -0.690 0.000 0.980 395 L HN 0.688 nan 8.230 nan 0.000 0.448 396 E N -1.641 118.749 120.200 0.317 0.000 2.371 396 E HA -0.134 4.215 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 0.519 57.110 56.400 0.319 0.000 0.860 396 E CB -0.090 29.827 29.700 0.362 0.000 0.811 396 E HN 0.548 nan 8.360 nan 0.000 0.502 397 Y N -0.076 120.216 120.300 -0.014 0.000 2.477 397 Y HA 0.080 4.629 4.550 -0.001 0.000 0.303 397 Y C -0.299 175.389 175.900 -0.353 0.000 1.202 397 Y CA -0.138 57.868 58.100 -0.157 0.000 1.282 397 Y CB -0.032 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 1.336 121.031 119.950 -0.425 0.000 2.436 398 F HA 0.413 4.940 4.527 -0.001 0.000 0.340 398 F C -2.058 173.375 175.800 -0.612 0.000 1.113 398 F CA -3.119 54.472 58.000 -0.682 0.000 1.022 398 F CB 0.752 38.956 39.000 -1.327 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 0.533 32.153 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 -0.810 173.888 174.600 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 1.965 121.891 119.800 0.211 0.000 2.279 401 Q HA 0.412 4.752 4.340 -0.001 0.000 0.256 401 Q C -1.002 175.101 176.000 0.172 0.000 0.937 401 Q CA -0.266 55.655 55.803 0.197 0.000 0.933 401 Q CB 0.580 29.490 28.738 0.286 0.000 1.189 401 Q HN 0.747 nan 8.270 nan 0.000 0.417 402 M N 4.305 123.985 119.600 0.133 0.000 2.209 402 M HA 0.339 4.818 4.480 -0.001 0.000 0.355 402 M C -1.180 175.185 176.300 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 2.656 123.943 121.223 0.106 0.000 2.362 403 L HA 0.604 4.944 4.340 -0.001 0.000 0.275 403 L C -0.176 176.747 176.870 0.090 0.000 0.998 403 L CA -0.356 54.553 54.840 0.115 0.000 0.820 403 L CB 1.761 43.913 42.059 0.154 0.000 1.270 403 L HN 0.596 nan 8.230 nan 0.000 0.415 404 R N -0.099 120.448 120.500 0.079 0.000 2.606 404 R HA 0.650 4.990 4.340 -0.001 0.000 0.249 404 R C -0.524 175.817 176.300 0.069 0.000 1.127 404 R CA -0.537 55.599 56.100 0.060 0.000 1.133 404 R CB 1.019 31.346 30.300 0.046 0.000 1.243 404 R HN 0.639 nan 8.270 nan 0.000 0.558 405 T N 0.815 115.399 114.554 0.050 0.000 2.784 405 T HA 0.336 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 63.083 62.100 0.051 0.000 1.161 405 T CB 0.523 69.406 68.868 0.026 0.000 0.885 405 T HN 0.784 nan 8.240 nan 0.000 0.534 406 G N 3.556 112.403 108.800 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 0.018 174.975 174.900 0.094 0.000 0.997 406 G CA -0.794 44.353 45.100 0.079 0.000 0.652 406 G HN 0.600 nan 8.290 nan 0.000 0.500 407 N N 1.656 120.421 118.700 0.109 0.000 2.508 407 N HA 0.598 5.337 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 -0.120 53.006 53.050 0.127 0.000 0.978 407 N CB 1.160 39.722 38.487 0.125 0.000 1.180 407 N HN 0.683 nan 8.380 nan 0.000 0.484 408 N N -0.344 118.467 118.700 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 -0.583 52.614 53.050 0.245 0.000 0.780 408 N CB 1.328 39.941 38.487 0.211 0.000 1.520 408 N HN 0.359 nan 8.380 nan 0.000 0.486 409 F N -0.012 120.031 119.950 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 5.115 124.546 119.800 -0.614 0.000 2.375 410 Q HA 0.612 4.952 4.340 -0.001 0.000 0.271 410 Q C -2.096 173.675 176.000 -0.382 0.000 1.074 410 Q CA -0.609 54.993 55.803 -0.335 0.000 0.808 410 Q CB 2.165 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 1.052 120.871 119.950 -0.219 0.000 2.622 411 F HA 0.598 5.125 4.527 -0.001 0.000 0.318 411 F C -1.527 174.263 175.800 -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 5.178 120.371 115.700 -0.845 0.000 2.500 412 S HA 0.561 5.031 4.470 -0.001 0.000 0.301 412 S C -1.892 172.186 174.600 -0.869 0.000 1.092 412 S CA -0.555 57.244 58.200 -0.669 0.000 1.030 412 S CB 1.667 64.644 63.200 -0.372 0.000 1.031 412 S HN 0.623 nan 8.310 nan 0.000 0.483 413 Y N 1.351 121.222 120.300 -0.714 0.000 2.545 413 Y HA 0.638 5.188 4.550 -0.001 0.000 0.348 413 Y C -0.960 174.672 175.900 -0.447 0.000 1.002 413 Y CA -0.470 57.277 58.100 -0.589 0.000 1.039 413 Y CB 1.801 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 6.311 120.088 114.554 -1.294 0.000 2.864 414 T HA 0.380 4.730 4.350 -0.001 0.000 0.299 414 T C -0.877 173.107 174.700 -1.193 0.000 1.011 414 T CA -0.432 61.097 62.100 -0.953 0.000 0.975 414 T CB -0.087 68.472 68.868 -0.516 0.000 0.962 414 T HN 0.453 nan 8.240 nan 0.000 0.448 415 F N 2.973 122.469 119.950 -0.757 0.000 2.595 415 F HA 0.137 4.664 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 -0.198 57.545 58.000 -0.429 0.000 1.341 415 F CB 0.603 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 0.655 120.865 120.200 0.018 0.000 2.622 416 E HA 0.176 4.525 4.350 -0.001 0.000 0.255 416 E C -1.186 175.395 176.600 -0.031 0.000 1.313 416 E CA -0.980 55.410 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 0.474 120.851 120.400 -0.038 0.000 2.358 417 D HA 0.226 4.866 4.640 -0.001 0.000 0.258 417 D C -1.138 175.133 176.300 -0.049 0.000 1.223 417 D CA 0.122 54.090 54.000 -0.055 0.000 0.886 417 D CB 1.195 41.976 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 -2.218 60.052 62.300 -0.050 0.000 0.894 418 V CB 2.154 33.959 31.823 -0.028 0.000 1.008 418 V HN 0.342 nan 8.190 nan 0.000 0.425 419 P HA 0.076 nan 4.420 nan 0.000 0.263 419 P C -0.435 176.996 177.300 0.219 0.000 1.175 419 P CA 0.398 63.581 63.100 0.137 0.000 0.761 419 P CB 0.006 31.790 31.700 0.139 0.000 0.794 420 F N 1.346 121.388 119.950 0.154 0.000 2.628 420 F HA -0.016 4.510 4.527 -0.001 0.000 0.362 420 F C 1.752 177.666 175.800 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 38.990 39.000 0.139 0.000 1.081 420 F HN 0.430 nan 8.300 nan 0.000 0.605 421 H N 0.648 119.823 119.070 0.176 0.000 2.607 421 H HA 0.259 4.815 4.556 -0.001 0.000 0.367 421 H C -0.381 174.952 175.328 0.009 0.000 1.181 421 H CA -0.557 55.440 56.048 -0.086 0.000 1.402 421 H CB 0.760 30.230 29.762 -0.487 0.000 1.474 421 H HN 0.449 nan 8.280 nan 0.000 0.596 422 S N 2.755 117.844 115.700 -1.018 0.000 2.681 422 S HA 0.065 4.535 4.470 -0.001 0.000 0.313 422 S C 0.200 174.381 174.600 -0.698 0.000 1.137 422 S CA -0.366 57.349 58.200 -0.808 0.000 1.045 422 S CB 0.051 62.630 63.200 -1.035 0.000 1.208 422 S HN 0.596 nan 8.310 nan 0.000 0.523 423 S N 2.733 118.370 115.700 -0.105 0.000 2.763 423 S HA 0.202 4.671 4.470 -0.001 0.000 0.237 423 S C -0.064 174.594 174.600 0.097 0.000 0.966 423 S CA -0.444 57.813 58.200 0.095 0.000 1.017 423 S CB -0.592 62.785 63.200 0.294 0.000 0.780 423 S HN 0.803 nan 8.310 nan 0.000 0.476 424 Y N -1.582 118.599 120.300 -0.198 0.000 2.638 424 Y HA 0.886 5.435 4.550 -0.001 0.000 0.339 424 Y C -0.768 174.915 175.900 -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 1.250 123.936 122.820 -0.223 0.000 2.422 425 A HA 0.523 4.843 4.320 -0.001 0.000 0.302 425 A C -1.543 175.926 177.584 -0.190 0.000 1.041 425 A CA -0.909 50.957 52.037 -0.284 0.000 0.708 425 A CB 0.707 19.617 19.000 -0.150 0.000 1.257 425 A HN 0.862 nan 8.150 nan 0.000 0.414 426 H N 1.987 121.054 119.070 -0.005 0.000 2.803 426 H HA 0.127 4.683 4.556 -0.001 0.000 0.330 426 H C 1.251 176.574 175.328 -0.008 0.000 1.057 426 H CA 0.921 56.970 56.048 0.002 0.000 1.458 426 H CB 1.184 30.941 29.762 -0.009 0.000 1.470 426 H HN 0.776 nan 8.280 nan 0.000 0.560 427 S N 2.030 117.792 115.700 0.103 0.000 2.528 427 S HA 0.027 4.496 4.470 -0.001 0.000 0.219 427 S C 0.676 175.313 174.600 0.062 0.000 0.985 427 S CA -0.092 58.149 58.200 0.069 0.000 0.914 427 S CB 0.558 63.794 63.200 0.060 0.000 0.776 427 S HN 0.571 nan 8.310 nan 0.000 0.526 428 Q N 0.657 120.498 119.800 0.068 0.000 2.252 428 Q HA 0.657 4.996 4.340 -0.001 0.000 0.256 428 Q C -0.858 175.151 176.000 0.014 0.000 1.020 428 Q CA -0.629 55.193 55.803 0.031 0.000 0.913 428 Q CB 1.855 30.599 28.738 0.011 0.000 1.286 428 Q HN 0.304 nan 8.270 nan 0.000 0.480 429 S N -0.465 115.231 115.700 -0.007 0.000 2.638 429 S HA 0.380 4.850 4.470 -0.001 0.000 0.302 429 S C 0.715 175.296 174.600 -0.032 0.000 1.096 429 S CA -0.610 57.578 58.200 -0.021 0.000 0.953 429 S CB 0.894 64.089 63.200 -0.009 0.000 1.107 429 S HN 0.695 nan 8.310 nan 0.000 0.503 430 L N 1.455 122.657 121.223 -0.034 0.000 2.017 430 L HA -0.077 4.262 4.340 -0.001 0.000 0.208 430 L C 2.017 178.899 176.870 0.020 0.000 1.073 430 L CA 1.889 56.725 54.840 -0.007 0.000 0.745 430 L CB -0.342 41.722 42.059 0.007 0.000 0.894 430 L HN 0.826 nan 8.230 nan 0.000 0.432 431 D N -1.170 119.230 120.400 -0.000 0.000 2.289 431 D HA -0.123 4.517 4.640 -0.001 0.000 0.207 431 D C 0.949 177.241 176.300 -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 0.731 177.031 176.300 -0.001 0.000 1.485 432 R CA -0.258 55.837 56.100 -0.008 0.000 1.355 432 R CB 0.341 30.637 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 4.536 4.340 -0.001 0.000 0.228 433 L C 0.441 177.320 176.870 0.015 0.000 1.075 433 L CA 0.764 55.613 54.840 0.016 0.000 0.867 433 L CB 0.155 42.241 42.059 0.044 0.000 1.097 433 L HN 0.158 nan 8.230 nan 0.000 0.485 434 M N -0.718 118.883 119.600 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 -0.056 55.239 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 0.348 5.087 4.740 -0.001 0.000 0.266 435 N C -2.213 173.288 175.510 -0.015 0.000 1.007 435 N CA -1.679 51.364 53.050 -0.012 0.000 0.941 435 N CB 1.053 39.535 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 0.901 178.196 177.300 -0.009 0.000 1.148 436 P CA 0.643 63.737 63.100 -0.010 0.000 0.779 436 P CB 0.553 32.249 31.700 -0.006 0.000 0.780 437 L N -2.040 119.179 121.223 -0.007 0.000 2.316 437 L HA 0.127 4.466 4.340 -0.001 0.000 0.207 437 L C 1.083 177.951 176.870 -0.004 0.000 1.070 437 L CA 0.756 55.593 54.840 -0.005 0.000 0.820 437 L CB -0.421 41.637 42.059 -0.002 0.000 0.992 437 L HN -0.139 nan 8.230 nan 0.000 0.466 438 I N -0.410 120.156 120.570 -0.007 0.000 2.577 438 I HA 0.282 4.452 4.170 -0.001 0.000 0.305 438 I C -0.512 175.593 176.117 -0.020 0.000 0.986 438 I CA -0.832 60.464 61.300 -0.006 0.000 1.189 438 I CB 1.008 39.009 38.000 0.001 0.000 1.355 438 I HN -0.019 nan 8.210 nan 0.000 0.476 439 D N 2.946 123.334 120.400 -0.019 0.000 2.253 439 D HA 0.359 4.998 4.640 -0.001 0.000 0.249 439 D C 0.059 176.318 176.300 -0.068 0.000 1.049 439 D CA -0.403 53.573 54.000 -0.039 0.000 0.929 439 D CB 0.770 41.552 40.800 -0.030 0.000 1.176 439 D HN 0.338 nan 8.370 nan 0.000 0.437 440 Q N 0.250 119.978 119.800 -0.120 0.000 2.417 440 Q HA 0.136 4.476 4.340 -0.001 0.000 0.241 440 Q C 0.175 176.066 176.000 -0.182 0.000 1.008 440 Q CA -0.234 55.433 55.803 -0.226 0.000 0.901 440 Q CB 0.635 29.225 28.738 -0.248 0.000 1.259 440 Q HN 0.676 nan 8.270 nan 0.000 0.489 441 Y N -0.838 119.428 120.300 -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 -0.493 57.581 58.100 -0.043 0.000 1.274 441 Y CB 0.296 38.762 38.460 0.010 0.000 1.097 441 Y HN 0.249 nan 8.280 nan 0.000 0.523 442 L N 0.906 122.095 121.223 -0.057 0.000 2.399 442 L HA 0.370 4.709 4.340 -0.001 0.000 0.265 442 L C -1.021 175.828 176.870 -0.036 0.000 1.089 442 L CA -0.943 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 0.506 120.867 120.300 0.101 0.000 2.429 443 Y HA 0.460 5.010 4.550 -0.001 0.000 0.342 443 Y C -0.411 175.596 175.900 0.178 0.000 1.004 443 Y CA -0.573 57.583 58.100 0.093 0.000 1.075 443 Y CB 1.789 40.236 38.460 -0.021 0.000 1.214 443 Y HN 0.383 nan 8.280 nan 0.000 0.455 444 Y N 0.380 120.828 120.300 0.246 0.000 2.605 444 Y HA 0.735 5.284 4.550 -0.001 0.000 0.343 444 Y C -1.700 174.403 175.900 0.339 0.000 1.036 444 Y CA -1.753 56.481 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 0.545 nan 8.280 nan 0.000 0.481 445 L N 2.884 124.315 121.223 0.347 0.000 2.276 445 L HA 0.403 4.743 4.340 -0.001 0.000 0.286 445 L C 0.007 176.929 176.870 0.086 0.000 1.061 445 L CA -0.165 54.741 54.840 0.109 0.000 0.807 445 L CB 0.880 42.977 42.059 0.063 0.000 1.177 445 L HN 1.070 nan 8.230 nan 0.000 0.429 446 N N 2.189 120.856 118.700 -0.054 0.000 2.145 446 N HA 0.173 4.913 4.740 -0.001 0.000 0.219 446 N C -0.487 175.008 175.510 -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 39.202 38.487 0.123 0.000 1.078 446 N HN 0.312 nan 8.380 nan 0.000 0.513 447 R N 0.964 121.397 120.500 -0.112 0.000 2.502 447 R HA 0.263 4.602 4.340 -0.001 0.000 0.300 447 R C -0.004 176.207 176.300 -0.148 0.000 0.984 447 R CA -0.311 55.725 56.100 -0.107 0.000 0.882 447 R CB 1.480 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 0.587 nan 8.240 nan 0.000 0.474 449 Q N 0.970 120.735 119.800 -0.059 0.000 2.534 449 Q HA 0.371 4.711 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 -0.567 28.152 28.738 -0.032 0.000 1.294 449 Q HN 0.294 nan 8.270 nan 0.000 0.553 450 G N 2.263 111.042 108.800 -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 -0.309 174.572 174.900 -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 1.025 175.714 174.700 -0.019 0.000 1.046 451 T CA -0.524 61.559 62.100 -0.027 0.000 0.983 451 T CB 0.543 69.395 68.868 -0.028 0.000 1.721 451 T HN 0.164 nan 8.240 nan 0.000 0.594 452 T N 2.730 117.274 114.554 -0.016 0.000 4.216 452 T HA 0.106 4.456 4.350 -0.001 0.000 0.221 452 T C 0.456 175.150 174.700 -0.011 0.000 0.939 452 T CA 0.129 62.222 62.100 -0.011 0.000 1.218 452 T CB -0.787 68.075 68.868 -0.009 0.000 1.266 452 T HN 0.494 nan 8.240 nan 0.000 0.917 453 S N 1.950 117.644 115.700 -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 0.179 58.373 58.200 -0.010 0.000 1.088 453 S CB -0.126 63.067 63.200 -0.011 0.000 1.018 453 S HN 0.843 nan 8.310 nan 0.000 0.511 454 G N 3.578 112.374 108.800 -0.008 0.000 4.170 454 G HA2 0.160 4.119 3.960 -0.001 0.000 0.143 454 G HA3 0.160 4.119 3.960 -0.001 0.000 0.143 454 G C -0.296 174.600 174.900 -0.006 0.000 1.261 454 G CA -0.222 44.874 45.100 -0.006 0.000 1.043 454 G HN 0.582 nan 8.290 nan 0.000 0.382 455 T N 2.300 116.850 114.554 -0.006 0.000 2.794 455 T HA 0.498 4.847 4.350 -0.001 0.000 0.280 455 T C 0.350 175.046 174.700 -0.007 0.000 0.987 455 T CA 0.614 62.711 62.100 -0.006 0.000 0.993 455 T CB 1.338 70.204 68.868 -0.005 0.000 0.939 455 T HN 0.607 nan 8.240 nan 0.000 0.449 456 T N 3.663 118.213 114.554 -0.007 0.000 3.760 456 T HA -0.171 4.179 4.350 -0.001 0.000 0.366 456 T C 0.149 174.843 174.700 -0.009 0.000 0.761 456 T CA 0.546 62.642 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 0.622 nan 8.240 nan 0.000 0.749 457 N N 1.621 120.314 118.700 -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 0.282 120.073 119.800 -0.015 0.000 1.984 458 Q HA 0.031 4.371 4.340 -0.001 0.000 0.196 458 Q C 0.252 176.240 176.000 -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 -0.840 114.846 115.700 -0.023 0.000 2.550 459 S HA 0.761 5.230 4.470 -0.001 0.000 0.270 459 S C -1.031 173.546 174.600 -0.037 0.000 1.145 459 S CA -1.039 57.142 58.200 -0.031 0.000 0.852 459 S CB 3.071 66.254 63.200 -0.029 0.000 1.119 459 S HN 0.449 nan 8.310 nan 0.000 0.465 460 R N 1.071 121.539 120.500 -0.054 0.000 2.579 460 R HA 0.394 4.734 4.340 -0.001 0.000 0.260 460 R C -1.964 174.267 176.300 -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 31.323 30.300 -0.055 0.000 1.251 460 R HN 0.806 nan 8.270 nan 0.000 0.450 461 L N 5.688 126.829 121.223 -0.137 0.000 2.325 461 L HA 0.392 4.731 4.340 -0.001 0.000 0.284 461 L C -0.467 176.143 176.870 -0.434 0.000 1.089 461 L CA -0.222 54.447 54.840 -0.284 0.000 0.836 461 L CB 0.586 42.523 42.059 -0.203 0.000 1.184 461 L HN 0.376 nan 8.230 nan 0.000 0.444 462 L N 4.125 125.012 121.223 -0.560 0.000 2.385 462 L HA 0.573 4.913 4.340 -0.001 0.000 0.273 462 L C -0.828 175.668 176.870 -0.624 0.000 0.990 462 L CA -0.421 54.145 54.840 -0.457 0.000 0.821 462 L CB 1.917 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 0.275 120.181 119.950 -0.073 0.000 2.522 463 F HA 0.582 5.108 4.527 -0.001 0.000 0.324 463 F C 0.380 176.123 175.800 -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 0.668 116.274 115.700 -0.155 0.000 2.536 464 S HA 0.321 4.791 4.470 -0.001 0.000 0.298 464 S C -1.024 173.385 174.600 -0.319 0.000 1.083 464 S CA -0.867 57.195 58.200 -0.230 0.000 0.995 464 S CB 1.822 64.788 63.200 -0.391 0.000 1.058 464 S HN 0.638 nan 8.310 nan 0.000 0.488 465 Q N 2.118 121.753 119.800 -0.276 0.000 2.288 465 Q HA 0.543 4.883 4.340 -0.001 0.000 0.258 465 Q C -0.227 175.713 176.000 -0.101 0.000 0.957 465 Q CA -0.712 54.718 55.803 -0.623 0.000 0.919 465 Q CB 0.775 29.081 28.738 -0.720 0.000 1.185 465 Q HN 0.782 nan 8.270 nan 0.000 0.408 466 A N 3.397 126.254 122.820 0.062 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 0.774 52.892 52.037 0.134 0.000 0.755 466 A CB 0.093 19.087 19.000 -0.011 0.000 0.980 466 A HN 0.887 nan 8.150 nan 0.000 0.506 467 G N 1.083 109.893 108.800 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 -2.405 172.484 174.900 -0.018 0.000 1.364 467 G CA -1.026 44.069 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 -0.337 119.462 119.800 -0.003 0.000 2.096 469 Q HA -0.017 4.323 4.340 -0.001 0.000 0.197 469 Q C 1.081 177.082 176.000 0.002 0.000 0.964 469 Q CA 1.324 57.130 55.803 0.005 0.000 0.838 469 Q CB -0.470 28.278 28.738 0.016 0.000 0.906 469 Q HN 0.285 nan 8.270 nan 0.000 0.444 470 S N -0.023 115.680 115.700 0.005 0.000 3.983 470 S HA 0.218 4.687 4.470 -0.001 0.000 0.194 470 S C 0.839 175.386 174.600 -0.088 0.000 1.464 470 S CA -0.313 57.873 58.200 -0.023 0.000 1.021 470 S CB 0.147 63.366 63.200 0.032 0.000 1.424 470 S HN 0.221 nan 8.310 nan 0.000 0.473 471 M N 2.340 121.901 119.600 -0.065 0.000 2.156 471 M HA -0.060 4.419 4.480 -0.001 0.000 0.264 471 M C 1.819 178.064 176.300 -0.093 0.000 1.067 471 M CA 1.566 56.824 55.300 -0.070 0.000 1.131 471 M CB -0.062 32.511 32.600 -0.044 0.000 1.368 471 M HN 0.676 nan 8.290 nan 0.000 0.416 472 S N -0.735 114.910 115.700 -0.092 0.000 2.679 472 S HA 0.210 4.679 4.470 -0.001 0.000 0.233 472 S C 0.888 175.401 174.600 -0.146 0.000 0.951 472 S CA -0.296 57.845 58.200 -0.098 0.000 0.973 472 S CB -0.386 62.772 63.200 -0.071 0.000 0.778 472 S HN 0.567 nan 8.310 nan 0.000 0.477 473 L N -0.489 120.598 121.223 -0.226 0.000 2.993 473 L HA 0.310 4.650 4.340 -0.001 0.000 0.264 473 L C 0.654 177.222 176.870 -0.502 0.000 1.154 473 L CA -0.233 54.371 54.840 -0.393 0.000 0.972 473 L CB 0.174 41.903 42.059 -0.551 0.000 1.373 473 L HN 0.254 nan 8.230 nan 0.000 0.564 474 Q N 1.193 120.792 119.800 -0.335 0.000 2.432 474 Q HA 0.337 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 -0.100 55.546 55.803 -0.262 0.000 0.908 474 Q CB 0.973 29.610 28.738 -0.169 0.000 1.280 474 Q HN 0.273 nan 8.270 nan 0.000 0.455 475 A N 1.924 124.653 122.820 -0.151 0.000 2.520 475 A HA 0.194 4.514 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 0.261 52.230 52.037 -0.114 0.000 0.764 475 A CB 0.304 19.245 19.000 -0.098 0.000 1.002 475 A HN 0.578 nan 8.150 nan 0.000 0.502 476 R N 0.335 120.769 120.500 -0.111 0.000 2.807 476 R HA 0.450 4.789 4.340 -0.001 0.000 0.276 476 R C 0.229 176.411 176.300 -0.197 0.000 0.979 476 R CA -0.617 55.415 56.100 -0.113 0.000 0.928 476 R CB 1.149 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 -1.022 173.879 175.510 -1.016 0.000 1.116 477 N CA 0.339 52.935 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 0.084 121.383 121.300 -0.002 0.000 3.083 478 W HA 0.546 5.206 4.660 -0.001 0.000 0.333 478 W C -0.695 175.835 176.519 0.019 0.000 1.217 478 W CA -0.767 56.586 57.345 0.012 0.000 1.170 478 W CB 0.812 30.271 29.460 -0.001 0.000 1.437 478 W HN -0.371 nan 8.180 nan 0.000 0.557 479 L N 2.026 123.431 121.223 0.305 0.000 2.303 479 L HA 0.651 4.991 4.340 -0.001 0.000 0.266 479 L C -2.140 174.855 176.870 0.208 0.000 1.011 479 L CA -2.725 52.238 54.840 0.204 0.000 0.818 479 L CB 0.531 42.709 42.059 0.200 0.000 1.326 479 L HN 0.068 nan 8.230 nan 0.000 0.435 480 P HA 0.243 nan 4.420 nan 0.000 0.274 480 P C -0.114 177.344 177.300 0.264 0.000 1.256 480 P CA -0.372 62.828 63.100 0.168 0.000 0.795 480 P CB 0.442 32.191 31.700 0.082 0.000 1.038 481 G N 0.681 109.642 108.800 0.268 0.000 2.667 481 G HA2 0.307 4.266 3.960 -0.001 0.000 0.250 481 G HA3 0.307 4.266 3.960 -0.001 0.000 0.250 481 G C -2.280 172.685 174.900 0.108 0.000 1.212 481 G CA -0.930 44.317 45.100 0.246 0.000 0.874 481 G HN 0.363 nan 8.290 nan 0.000 0.561 482 P HA 0.209 nan 4.420 nan 0.000 0.273 482 P C 0.106 177.332 177.300 -0.123 0.000 1.258 482 P CA -0.029 62.943 63.100 -0.213 0.000 0.802 482 P CB 0.599 32.063 31.700 -0.394 0.000 1.040 483 C N -1.867 117.341 119.300 -0.154 0.000 3.285 483 C HA 0.706 5.166 4.460 -0.001 0.000 0.325 483 C C -1.719 173.295 174.990 0.041 0.000 1.304 483 C CA -0.722 58.277 59.018 -0.033 0.000 1.319 483 C CB 0.696 28.458 27.740 0.037 0.000 1.640 483 C HN 0.604 nan 8.230 nan 0.000 0.477 484 Y N 1.718 121.976 120.300 -0.070 0.000 2.379 484 Y HA 0.491 5.041 4.550 -0.001 0.000 0.342 484 Y C 0.339 176.225 175.900 -0.023 0.000 1.126 484 Y CA -0.328 57.740 58.100 -0.054 0.000 1.310 484 Y CB 0.513 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 3.697 124.080 120.500 -0.195 0.000 2.500 485 R HA 0.017 4.356 4.340 -0.001 0.000 0.281 485 R C -0.475 175.747 176.300 -0.129 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 2.317 122.075 119.800 -0.070 0.000 2.297 486 Q HA 0.141 4.480 4.340 -0.001 0.000 0.268 486 Q C -0.827 175.111 176.000 -0.103 0.000 1.045 486 Q CA -0.939 54.812 55.803 -0.088 0.000 0.861 486 Q CB 1.833 30.515 28.738 -0.093 0.000 1.344 486 Q HN 0.515 nan 8.270 nan 0.000 0.452 487 Q N 1.229 120.962 119.800 -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 0.148 55.901 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 3.126 123.568 120.500 -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 -0.383 55.655 56.100 -0.103 0.000 0.957 488 R CB 0.295 30.511 30.300 -0.139 0.000 1.022 488 R HN 0.531 nan 8.270 nan 0.000 0.461 489 L N 2.078 123.182 121.223 -0.199 0.000 2.354 489 L HA 0.429 4.768 4.340 -0.001 0.000 0.269 489 L C -0.238 176.598 176.870 -0.058 0.000 1.005 489 L CA -0.172 54.533 54.840 -0.224 0.000 0.819 489 L CB 2.041 43.694 42.059 -0.677 0.000 1.311 489 L HN 0.586 nan 8.230 nan 0.000 0.423 490 S N 0.229 115.991 115.700 0.104 0.000 2.549 490 S HA 0.435 4.905 4.470 -0.001 0.000 0.297 490 S C 0.769 175.452 174.600 0.137 0.000 1.115 490 S CA -0.578 57.637 58.200 0.026 0.000 1.059 490 S CB 1.041 64.211 63.200 -0.050 0.000 1.046 490 S HN 0.644 nan 8.310 nan 0.000 0.506 491 K N 1.323 121.777 120.400 0.091 0.000 2.288 491 K HA 0.027 4.346 4.320 -0.001 0.000 0.201 491 K C 0.224 176.834 176.600 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 32.274 32.500 -0.002 0.000 0.746 491 K HN 0.496 nan 8.250 nan 0.000 0.461 492 T N 1.871 116.407 114.554 -0.032 0.000 2.738 492 T HA 0.179 4.529 4.350 -0.001 0.000 0.293 492 T C 0.596 175.307 174.700 0.018 0.000 0.913 492 T CA -0.288 61.799 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 3.891 126.726 122.820 0.025 0.000 2.223 493 A HA 0.046 4.366 4.320 -0.001 0.000 0.222 493 A C 1.612 179.222 177.584 0.043 0.000 1.317 493 A CA 0.098 52.159 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 -2.653 116.073 118.700 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 0.249 53.326 53.050 0.045 0.000 0.879 494 N CB 0.099 38.604 38.487 0.030 0.000 1.109 494 N HN 0.113 nan 8.380 nan 0.000 0.501 495 D N 1.024 121.465 120.400 0.068 0.000 2.277 495 D HA 0.068 4.708 4.640 -0.001 0.000 0.208 495 D C 0.182 176.550 176.300 0.115 0.000 0.962 495 D CA 0.672 54.732 54.000 0.099 0.000 0.865 495 D CB 0.015 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 1.111 119.884 118.700 0.121 0.000 2.445 496 N HA 0.013 4.753 4.740 -0.001 0.000 0.264 496 N C 0.061 175.644 175.510 0.123 0.000 1.227 496 N CA -0.275 52.866 53.050 0.151 0.000 0.963 496 N CB 0.395 39.010 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 2.492 497 N HA -0.088 4.652 4.740 -0.001 0.000 0.262 497 N C -0.259 175.339 175.510 0.148 0.000 1.202 497 N CA 0.235 53.324 53.050 0.066 0.000 0.926 497 N CB 0.086 38.526 38.487 -0.079 0.000 1.078 497 N HN 0.450 nan 8.380 nan 0.000 0.454 498 N N 1.877 120.632 118.700 0.093 0.000 3.193 498 N HA -0.024 4.716 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 52.942 53.050 0.095 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 0.315 116.128 115.700 0.188 0.000 2.537 499 S HA 0.196 4.665 4.470 -0.001 0.000 0.270 499 S C -0.953 173.835 174.600 0.313 0.000 1.142 499 S CA -1.123 57.202 58.200 0.209 0.000 0.870 499 S CB 1.427 64.732 63.200 0.174 0.000 1.112 499 S HN 0.245 nan 8.310 nan 0.000 0.466 500 N N 1.339 120.151 118.700 0.188 0.000 2.439 500 N HA 0.430 5.170 4.740 -0.001 0.000 0.243 500 N C -0.396 175.210 175.510 0.161 0.000 1.088 500 N CA -0.845 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 1.790 121.780 119.950 0.065 0.000 2.805 501 F HA 0.550 5.077 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 -1.599 56.443 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 0.615 178.062 177.300 0.244 0.000 1.241 502 P CA 1.003 64.107 63.100 0.007 0.000 0.781 502 P CB -0.094 31.585 31.700 -0.036 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 0.503 177.061 176.519 0.066 0.000 1.082 503 W CA 0.663 58.033 57.345 0.042 0.000 1.537 503 W CB 0.018 29.483 29.460 0.008 0.000 0.639 503 W HN -0.108 nan 8.180 nan 0.000 0.912 504 T N -0.683 113.934 114.554 0.106 0.000 3.100 504 T HA 0.346 4.696 4.350 -0.001 0.000 0.253 504 T C 1.165 175.864 174.700 -0.001 0.000 1.118 504 T CA 0.954 63.056 62.100 0.003 0.000 1.058 504 T CB 0.365 69.305 68.868 0.120 0.000 0.953 504 T HN 0.084 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 0.992 178.624 177.584 0.079 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 0.295 123.159 122.820 0.074 0.000 2.302 506 A HA 0.630 4.949 4.320 -0.001 0.000 0.285 506 A C 0.365 177.981 177.584 0.053 0.000 1.105 506 A CA -0.182 51.929 52.037 0.124 0.000 0.816 506 A CB 0.251 19.416 19.000 0.275 0.000 1.067 506 A HN 0.298 nan 8.150 nan 0.000 0.489 507 S N 1.391 117.169 115.700 0.130 0.000 2.510 507 S HA 0.380 4.850 4.470 -0.001 0.000 0.279 507 S C -0.008 174.716 174.600 0.208 0.000 1.284 507 S CA -0.161 58.132 58.200 0.155 0.000 1.059 507 S CB -0.001 63.320 63.200 0.202 0.000 0.901 507 S HN 0.636 nan 8.310 nan 0.000 0.491 508 K N 1.665 122.146 120.400 0.135 0.000 2.509 508 K HA 0.598 4.918 4.320 -0.001 0.000 0.266 508 K C -1.353 175.324 176.600 0.128 0.000 0.987 508 K CA -1.067 55.234 56.287 0.024 0.000 0.868 508 K CB 1.344 33.698 32.500 -0.243 0.000 1.421 508 K HN 0.563 nan 8.250 nan 0.000 0.444 509 Y N -1.516 118.816 120.300 0.053 0.000 2.630 509 Y HA 0.620 5.170 4.550 -0.001 0.000 0.337 509 Y C -0.692 175.283 175.900 0.125 0.000 1.051 509 Y CA -1.021 57.118 58.100 0.065 0.000 1.121 509 Y CB 1.534 39.983 38.460 -0.019 0.000 1.299 509 Y HN 0.751 nan 8.280 nan 0.000 0.498 510 H N 1.749 120.959 119.070 0.233 0.000 2.865 510 H HA 0.627 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 1.617 31.415 29.762 0.059 0.000 1.727 510 H HN 0.886 nan 8.280 nan 0.000 0.534 511 L N 3.498 124.764 121.223 0.072 0.000 2.385 511 L HA 0.236 4.576 4.340 -0.001 0.000 0.273 511 L C 0.545 177.466 176.870 0.085 0.000 0.990 511 L CA -0.850 53.990 54.840 -0.001 0.000 0.821 511 L CB 1.545 43.671 42.059 0.111 0.000 1.279 511 L HN 0.839 nan 8.230 nan 0.000 0.412 512 N N 2.376 121.110 118.700 0.056 0.000 2.741 512 N HA -0.185 4.554 4.740 -0.001 0.000 0.250 512 N C 0.697 176.306 175.510 0.166 0.000 1.115 512 N CA 1.331 54.441 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 -0.358 108.628 108.800 0.310 0.000 2.160 513 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.244 513 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.244 513 G C -0.146 174.901 174.900 0.244 0.000 1.022 513 G CA 0.524 45.815 45.100 0.319 0.000 0.741 513 G HN 0.722 nan 8.290 nan 0.000 0.508 514 R N 0.496 121.167 120.500 0.285 0.000 2.451 514 R HA 0.370 4.709 4.340 -0.001 0.000 0.307 514 R C -1.135 175.279 176.300 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 31.165 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 0.133 4.773 4.640 -0.001 0.000 0.247 515 D C -0.709 175.620 176.300 0.048 0.000 1.147 515 D CA 0.809 54.872 54.000 0.104 0.000 0.879 515 D CB 1.490 42.375 40.800 0.141 0.000 1.179 515 D HN 0.374 nan 8.370 nan 0.000 0.456 516 S N 1.524 117.060 115.700 -0.273 0.000 2.571 516 S HA 0.285 4.755 4.470 -0.001 0.000 0.284 516 S C -0.614 173.706 174.600 -0.467 0.000 1.128 516 S CA -0.760 57.202 58.200 -0.397 0.000 0.970 516 S CB 1.800 64.574 63.200 -0.711 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 -0.134 0.000 2.418 517 L HA 0.337 4.677 4.340 -0.001 0.000 0.274 517 L C -0.358 176.473 176.870 -0.065 0.000 1.135 517 L CA 0.111 54.891 54.840 -0.099 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 6.894 126.841 119.914 0.055 0.000 2.242 518 V HA 0.024 4.144 4.120 -0.001 0.000 0.242 518 V C 1.239 177.422 176.094 0.148 0.000 1.240 518 V CA 0.025 62.442 62.300 0.194 0.000 1.211 518 V CB -0.693 31.286 31.823 0.260 0.000 1.338 518 V HN 0.918 nan 8.190 nan 0.000 0.499 519 N N 6.357 125.076 118.700 0.033 0.000 2.054 519 N HA 0.010 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 0.278 nan 4.420 nan 0.000 0.251 520 P C -0.242 177.136 177.300 0.131 0.000 1.718 520 P CA -0.378 62.809 63.100 0.146 0.000 1.119 520 P CB 0.811 32.576 31.700 0.108 0.000 1.762 521 G N 4.638 113.529 108.800 0.152 0.000 2.479 521 G HA2 0.235 4.195 3.960 -0.001 0.000 0.275 521 G HA3 0.235 4.195 3.960 -0.001 0.000 0.275 521 G C -2.251 172.689 174.900 0.066 0.000 1.421 521 G CA -1.200 43.960 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 -0.181 177.144 177.300 0.042 0.000 1.205 522 P CA 0.273 63.367 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 3.538 126.386 122.820 0.046 0.000 2.473 523 A HA 0.357 4.676 4.320 -0.001 0.000 0.282 523 A C 0.124 177.761 177.584 0.089 0.000 1.163 523 A CA 0.366 52.461 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 2.063 121.720 119.600 0.096 0.000 2.644 524 M HA 0.588 5.067 4.480 -0.001 0.000 0.304 524 M C 0.233 176.587 176.300 0.090 0.000 1.215 524 M CA -0.546 54.807 55.300 0.089 0.000 0.871 524 M CB 2.242 34.892 32.600 0.083 0.000 1.740 524 M HN 0.636 nan 8.290 nan 0.000 0.464 525 A N 0.893 123.755 122.820 0.070 0.000 2.425 525 A HA 0.355 4.675 4.320 -0.001 0.000 0.249 525 A C 0.784 178.413 177.584 0.075 0.000 1.084 525 A CA -0.259 51.809 52.037 0.051 0.000 0.781 525 A CB 0.262 19.264 19.000 0.004 0.000 1.019 525 A HN 0.924 nan 8.150 nan 0.000 0.490 526 S N 0.650 116.416 115.700 0.110 0.000 2.371 526 S HA -0.008 4.462 4.470 -0.001 0.000 0.224 526 S C 0.748 175.512 174.600 0.273 0.000 1.029 526 S CA 1.509 59.840 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 0.956 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 0.946 30.806 29.762 0.162 0.000 1.850 527 H HN 0.131 nan 8.280 nan 0.000 0.549 528 K N 0.988 121.450 120.400 0.103 0.000 2.117 528 K HA 0.200 4.519 4.320 -0.001 0.000 0.240 528 K C -0.621 176.033 176.600 0.091 0.000 1.031 528 K CA -0.692 55.614 56.287 0.032 0.000 0.909 528 K CB 0.610 33.131 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 -0.410 175.962 176.300 0.120 0.000 1.136 529 D CA 0.904 54.953 54.000 0.081 0.000 0.879 529 D CB 0.226 41.052 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 0.143 0.000 1.130 530 D CA 0.859 54.929 54.000 0.117 0.000 0.738 530 D CB -0.651 40.198 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 4.435 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 -0.145 56.370 56.400 0.192 0.000 1.353 531 E CB 0.343 30.243 29.700 0.334 0.000 2.031 531 E HN 0.049 nan 8.360 nan 0.000 0.522 532 E N 0.891 121.004 120.200 -0.145 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 1.451 57.528 56.400 -0.540 0.000 0.754 532 E CB -1.135 28.457 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 32.476 32.500 -0.384 0.000 1.254 533 K HN 0.032 nan 8.250 nan 0.000 0.580 534 F N 3.566 123.541 119.950 0.043 0.000 2.390 534 F HA 0.361 4.887 4.527 -0.001 0.000 0.361 534 F C -0.049 175.833 175.800 0.137 0.000 1.124 534 F CA -1.311 56.733 58.000 0.072 0.000 1.149 534 F CB 0.588 39.607 39.000 0.030 0.000 1.160 534 F HN 0.014 nan 8.300 nan 0.000 0.501 535 F N 3.159 123.204 119.950 0.158 0.000 2.470 535 F HA 0.826 5.353 4.527 -0.001 0.000 0.329 535 F C -3.007 172.863 175.800 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 39.534 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 -0.453 176.721 177.300 -0.209 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 0.011 0.000 0.901 537 M N 4.985 124.405 119.600 -0.300 0.000 2.734 537 M HA -0.049 4.431 4.480 -0.001 0.000 0.356 537 M C 0.922 176.889 176.300 -0.555 0.000 1.790 537 M CA 0.719 55.829 55.300 -0.317 0.000 1.231 537 M CB -1.303 31.127 32.600 -0.284 0.000 2.102 537 M HN 0.559 nan 8.290 nan 0.000 0.463 538 H N 1.165 120.339 119.070 0.174 0.000 2.690 538 H HA -0.188 4.368 4.556 -0.001 0.000 0.309 538 H C 0.427 175.837 175.328 0.137 0.000 1.138 538 H CA 0.471 56.613 56.048 0.156 0.000 1.142 538 H CB -2.194 27.633 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 0.108 0.000 3.262 539 G HA2 0.107 4.067 3.960 -0.001 0.000 0.228 539 G HA3 0.107 4.067 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 0.325 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 0.163 0.000 3.322 540 N HA 0.112 4.852 4.740 -0.001 0.000 0.233 540 N C -1.729 173.798 175.510 0.027 0.000 1.399 540 N CA -0.843 52.276 53.050 0.115 0.000 0.894 540 N CB 0.827 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 0.798 121.984 121.223 -0.061 0.000 2.367 541 L HA 0.442 4.782 4.340 -0.001 0.000 0.275 541 L C 0.060 176.664 176.870 -0.444 0.000 1.129 541 L CA 0.131 54.811 54.840 -0.267 0.000 0.839 541 L CB 0.145 42.001 42.059 -0.339 0.000 1.133 541 L HN 0.473 nan 8.230 nan 0.000 0.453 542 I N 3.737 124.038 120.570 -0.447 0.000 2.406 542 I HA 0.344 4.513 4.170 -0.001 0.000 0.290 542 I C -0.664 175.187 176.117 -0.444 0.000 0.999 542 I CA -0.407 60.672 61.300 -0.368 0.000 1.124 542 I CB 1.015 38.904 38.000 -0.186 0.000 1.289 542 I HN 0.308 nan 8.210 nan 0.000 0.441 543 F N 3.078 122.984 119.950 -0.074 0.000 2.422 543 F HA 0.580 5.107 4.527 -0.001 0.000 0.333 543 F C 1.068 176.835 175.800 -0.054 0.000 1.095 543 F CA -0.644 57.325 58.000 -0.052 0.000 1.038 543 F CB 1.659 40.630 39.000 -0.049 0.000 1.156 543 F HN 0.420 nan 8.300 nan 0.000 0.483 544 G N 2.734 111.623 108.800 0.149 0.000 2.353 544 G HA2 0.338 4.298 3.960 -0.001 0.000 0.284 544 G HA3 0.338 4.298 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 -0.743 44.393 45.100 0.060 0.000 0.854 544 G HN 0.545 nan 8.290 nan 0.000 0.485 545 K N 0.792 121.193 120.400 0.001 0.000 2.286 545 K HA 0.063 4.382 4.320 -0.001 0.000 0.256 545 K C 0.315 176.894 176.600 -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 0.344 120.508 120.200 -0.061 0.000 2.415 546 E HA 0.081 4.431 4.350 -0.001 0.000 0.263 546 E C -0.186 176.392 176.600 -0.038 0.000 0.995 546 E CA 1.088 57.460 56.400 -0.048 0.000 0.915 546 E CB 0.306 29.961 29.700 -0.075 0.000 0.951 546 E HN 0.636 nan 8.360 nan 0.000 0.449 547 G N 3.568 112.356 108.800 -0.019 0.000 2.540 547 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.260 547 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.260 547 G C -0.451 174.437 174.900 -0.019 0.000 0.993 547 G CA 0.253 45.343 45.100 -0.017 0.000 1.327 547 G HN 0.612 nan 8.290 nan 0.000 0.485 548 T N 1.203 115.750 114.554 -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 61.988 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 2.382 116.929 114.554 -0.011 0.000 2.906 549 T HA 0.211 4.561 4.350 -0.001 0.000 0.329 549 T C 1.632 176.325 174.700 -0.011 0.000 1.091 549 T CA 0.325 62.419 62.100 -0.010 0.000 1.127 549 T CB 0.457 69.318 68.868 -0.013 0.000 1.035 549 T HN 0.758 nan 8.240 nan 0.000 0.547 550 A N 1.954 124.767 122.820 -0.011 0.000 2.206 550 A HA 0.232 4.552 4.320 -0.001 0.000 0.211 550 A C 1.395 178.966 177.584 -0.022 0.000 1.158 550 A CA 0.233 52.262 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 0.360 116.047 115.700 -0.022 0.000 2.498 551 S HA 0.410 4.879 4.470 -0.001 0.000 0.324 551 S C -0.443 174.142 174.600 -0.025 0.000 1.071 551 S CA -0.672 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 53.571 53.050 -0.024 0.000 0.749 552 N CB -0.541 37.932 38.487 -0.024 0.000 0.923 552 N HN 0.657 nan 8.380 nan 0.000 0.552 553 A N 0.789 123.595 122.820 -0.022 0.000 2.252 553 A HA 0.578 4.898 4.320 -0.001 0.000 0.305 553 A C 0.466 178.036 177.584 -0.024 0.000 1.097 553 A CA -0.391 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 0.463 nan 8.150 nan 0.000 0.499 554 E N -0.717 119.468 120.200 -0.025 0.000 2.374 554 E HA 0.244 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 -0.268 56.117 56.400 -0.026 0.000 0.907 554 E CB 0.700 30.384 29.700 -0.025 0.000 1.014 554 E HN 0.513 nan 8.360 nan 0.000 0.427 555 L N 2.080 123.283 121.223 -0.034 0.000 2.191 555 L HA -0.067 4.273 4.340 -0.001 0.000 0.212 555 L C 0.687 177.521 176.870 -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 -0.702 119.670 120.400 -0.048 0.000 2.328 556 D HA -0.003 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 54.245 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 0.041 118.713 118.700 -0.047 0.000 2.184 557 N HA 0.037 4.776 4.740 -0.001 0.000 0.206 557 N C -0.014 175.472 175.510 -0.041 0.000 1.151 557 N CA 0.057 53.082 53.050 -0.042 0.000 0.878 557 N CB 1.670 40.136 38.487 -0.035 0.000 1.014 557 N HN 0.072 nan 8.380 nan 0.000 0.512 558 V N -2.177 117.706 119.914 -0.051 0.000 3.074 558 V HA 0.660 4.780 4.120 -0.001 0.000 0.314 558 V C -0.410 175.650 176.094 -0.057 0.000 1.117 558 V CA -0.985 61.286 62.300 -0.049 0.000 1.014 558 V CB 2.512 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 3.279 122.862 119.600 -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 -0.146 55.144 55.300 -0.018 0.000 0.927 559 M CB 1.532 34.162 32.600 0.051 0.000 1.466 559 M HN 0.561 nan 8.290 nan 0.000 0.412 560 I N 2.600 123.097 120.570 -0.122 0.000 2.365 560 I HA 0.325 4.494 4.170 -0.001 0.000 0.291 560 I C 0.632 176.691 176.117 -0.097 0.000 1.004 560 I CA -0.662 60.534 61.300 -0.174 0.000 1.311 560 I CB 1.456 39.249 38.000 -0.345 0.000 1.401 560 I HN 0.597 nan 8.210 nan 0.000 0.491 561 T N 0.517 115.015 114.554 -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 61.223 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 1.948 122.438 120.400 0.149 0.000 2.317 562 D HA 0.183 4.822 4.640 -0.001 0.000 0.234 562 D C -0.121 176.327 176.300 0.246 0.000 1.112 562 D CA -0.508 53.621 54.000 0.216 0.000 0.840 562 D CB 0.913 41.849 40.800 0.227 0.000 1.078 562 D HN 0.447 nan 8.370 nan 0.000 0.486 563 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 0.055 176.714 176.600 0.100 0.000 1.189 563 E CA -0.056 56.453 56.400 0.182 0.000 1.252 563 E CB 0.240 30.047 29.700 0.178 0.000 1.408 563 E HN 0.656 nan 8.360 nan 0.000 0.464 564 E N -0.248 119.997 120.200 0.075 0.000 2.569 564 E HA 0.128 4.477 4.350 -0.001 0.000 0.205 564 E C 0.194 176.779 176.600 -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 29.961 29.700 -0.070 0.000 1.060 564 E HN -0.035 nan 8.360 nan 0.000 0.460 565 E N 0.739 120.936 120.200 -0.004 0.000 2.431 565 E HA 0.135 4.485 4.350 -0.001 0.000 0.200 565 E C 1.483 178.073 176.600 -0.016 0.000 0.995 565 E CA 0.239 56.621 56.400 -0.029 0.000 0.915 565 E CB 0.310 29.974 29.700 -0.060 0.000 0.930 565 E HN 0.555 nan 8.360 nan 0.000 0.496 566 I N -1.975 118.598 120.570 0.006 0.000 3.858 566 I HA 0.290 4.459 4.170 -0.001 0.000 0.325 566 I C 1.029 177.170 176.117 0.039 0.000 1.403 566 I CA -0.182 61.139 61.300 0.036 0.000 1.169 566 I CB 0.182 38.212 38.000 0.050 0.000 1.077 566 I HN -0.134 nan 8.210 nan 0.000 0.403 567 R N 1.413 121.920 120.500 0.012 0.000 2.152 567 R HA -0.088 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 1.989 58.086 56.100 -0.004 0.000 0.981 567 R CB -0.370 29.910 30.300 -0.033 0.000 0.870 567 R HN 0.649 nan 8.270 nan 0.000 0.451 568 T N -3.211 111.357 114.554 0.024 0.000 3.067 568 T HA -0.010 4.340 4.350 -0.001 0.000 0.257 568 T C 1.710 176.400 174.700 -0.016 0.000 1.105 568 T CA 1.138 63.242 62.100 0.006 0.000 1.104 568 T CB 0.216 69.094 68.868 0.017 0.000 0.925 568 T HN 0.304 nan 8.240 nan 0.000 0.498 569 T N -1.901 112.661 114.554 0.014 0.000 2.955 569 T HA 0.317 4.667 4.350 -0.001 0.000 0.251 569 T C 0.359 175.112 174.700 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 0.383 nan 8.240 nan 0.000 0.495 570 N N 2.197 120.948 118.700 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 2.023 40.577 38.487 0.112 0.000 1.288 570 N HN 0.058 nan 8.380 nan 0.000 0.493 571 P HA 0.055 nan 4.420 nan 0.000 0.272 571 P C -0.673 176.664 177.300 0.063 0.000 1.223 571 P CA -0.378 62.768 63.100 0.077 0.000 0.784 571 P CB 0.618 32.423 31.700 0.174 0.000 0.923 572 V N 1.970 121.906 119.914 0.037 0.000 2.572 572 V HA 0.114 4.234 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 0.533 62.852 62.300 0.033 0.000 1.055 572 V CB -0.037 31.794 31.823 0.014 0.000 0.969 572 V HN 0.721 nan 8.190 nan 0.000 0.482 573 A N 4.255 127.106 122.820 0.051 0.000 1.908 573 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 573 A C 2.255 179.844 177.584 0.009 0.000 1.181 573 A CA 2.401 54.465 52.037 0.045 0.000 0.627 573 A CB -0.694 18.341 19.000 0.060 0.000 0.818 573 A HN 1.016 nan 8.150 nan 0.000 0.445 574 T N -2.699 111.854 114.554 -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 0.392 62.468 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 2.372 122.553 120.200 -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 56.169 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 -0.350 119.441 119.800 -0.016 0.000 2.492 576 Q HA 0.015 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 -0.035 55.777 55.803 0.015 0.000 1.196 576 Q CB 0.117 28.855 28.738 -0.000 0.000 1.240 576 Q HN 0.610 nan 8.270 nan 0.000 0.651 577 Y N -1.538 118.739 120.300 -0.038 0.000 2.609 577 Y HA 0.429 4.979 4.550 -0.001 0.000 0.281 577 Y C 0.537 176.425 175.900 -0.020 0.000 1.132 577 Y CA 1.082 59.166 58.100 -0.026 0.000 1.264 577 Y CB 1.219 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 -0.984 107.828 108.800 0.018 0.000 2.399 578 G HA2 0.307 4.266 3.960 -0.001 0.000 0.256 578 G HA3 0.307 4.266 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 0.089 114.645 114.554 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 61.787 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 0.831 nan 8.240 nan 0.000 0.446 580 V N 1.677 121.608 119.914 0.028 0.000 2.789 580 V HA 0.804 4.924 4.120 -0.001 0.000 0.311 580 V C 0.110 176.214 176.094 0.017 0.000 1.073 580 V CA -1.305 61.012 62.300 0.029 0.000 0.921 580 V CB 1.825 33.669 31.823 0.035 0.000 1.009 580 V HN 1.089 nan 8.190 nan 0.000 0.426 581 A N 3.055 125.885 122.820 0.017 0.000 2.322 581 A HA 0.705 5.024 4.320 -0.001 0.000 0.269 581 A C 0.411 178.001 177.584 0.010 0.000 1.094 581 A CA -0.305 51.739 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 1.093 nan 8.150 nan 0.000 0.487 582 N N 1.197 119.901 118.700 0.006 0.000 2.604 582 N HA 0.126 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 -0.405 52.648 53.050 0.004 0.000 0.859 582 N CB 0.113 38.601 38.487 0.002 0.000 1.403 582 N HN 0.743 nan 8.380 nan 0.000 0.501 583 N N -0.250 118.453 118.700 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 1.555 122.781 121.223 0.005 0.000 2.353 584 L HA 0.247 4.587 4.340 -0.001 0.000 0.269 584 L C 0.401 177.274 176.870 0.005 0.000 1.085 584 L CA -0.846 53.998 54.840 0.006 0.000 0.938 584 L CB 0.229 42.291 42.059 0.006 0.000 1.312 584 L HN 0.622 nan 8.230 nan 0.000 0.429 585 Q N 2.559 122.362 119.800 0.005 0.000 2.386 585 Q HA 0.418 4.757 4.340 -0.001 0.000 0.282 585 Q C -0.000 176.001 176.000 0.003 0.000 1.050 585 Q CA -0.044 55.761 55.803 0.003 0.000 0.918 585 Q CB 1.177 29.917 28.738 0.003 0.000 1.266 585 Q HN 0.586 nan 8.270 nan 0.000 0.423 586 S N 0.129 115.829 115.700 0.000 0.000 2.694 586 S HA 0.339 4.809 4.470 -0.001 0.000 0.273 586 S C 0.409 175.007 174.600 -0.002 0.000 1.180 586 S CA -0.337 57.863 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 1.175 116.874 115.700 -0.003 0.000 2.419 587 S HA -0.106 4.364 4.470 -0.001 0.000 0.233 587 S C 1.189 175.787 174.600 -0.004 0.000 1.016 587 S CA 1.296 59.494 58.200 -0.004 0.000 0.974 587 S CB -0.870 62.328 63.200 -0.004 0.000 0.786 587 S HN 0.639 nan 8.310 nan 0.000 0.492 588 N N 1.216 119.915 118.700 -0.002 0.000 2.395 588 N HA 0.092 4.832 4.740 -0.001 0.000 0.175 588 N C -0.116 175.392 175.510 -0.003 0.000 1.029 588 N CA 0.757 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 0.386 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 2.462 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 50.372 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 0.108 nan 4.420 nan 0.000 0.264 591 P C -0.391 176.908 177.300 -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 2.252 116.806 114.554 -0.001 0.000 2.855 592 T HA 0.419 4.769 4.350 -0.001 0.000 0.281 592 T C 0.031 174.731 174.700 -0.001 0.000 1.007 592 T CA -0.279 61.819 62.100 -0.002 0.000 1.009 592 T CB 1.185 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 3.111 117.664 114.554 -0.003 0.000 2.856 593 T HA 0.557 4.907 4.350 -0.001 0.000 0.283 593 T C -0.479 174.219 174.700 -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 69.955 68.868 -0.004 0.000 0.992 593 T HN 0.266 nan 8.240 nan 0.000 0.454 594 R N 2.134 122.634 120.500 -0.000 0.000 2.480 594 R HA 0.363 4.703 4.340 -0.001 0.000 0.306 594 R C -0.930 175.372 176.300 0.003 0.000 0.958 594 R CA -0.472 55.627 56.100 -0.002 0.000 0.861 594 R CB 1.379 31.679 30.300 -0.000 0.000 1.171 594 R HN 0.616 nan 8.270 nan 0.000 0.445 595 T N 3.675 118.227 114.554 -0.005 0.000 2.738 595 T HA 0.054 4.403 4.350 -0.001 0.000 0.293 595 T C 0.045 174.748 174.700 0.006 0.000 0.913 595 T CA -0.054 62.045 62.100 -0.001 0.000 1.103 595 T CB 0.539 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 5.474 125.410 119.914 0.038 0.000 2.455 596 V HA 0.221 4.341 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 -0.159 62.166 62.300 0.043 0.000 0.976 596 V CB 0.442 32.329 31.823 0.106 0.000 0.993 596 V HN 0.804 nan 8.190 nan 0.000 0.475 597 N N 4.344 123.023 118.700 -0.035 0.000 2.294 597 N HA 0.158 4.897 4.740 -0.001 0.000 0.186 597 N C -0.426 175.004 175.510 -0.133 0.000 1.107 597 N CA 0.185 53.190 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 -1.508 174.677 176.300 -0.191 0.000 1.277 598 D CA -0.364 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 2.740 122.365 119.800 -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 54.815 55.803 -0.413 0.000 0.758 599 Q CB 1.634 29.787 28.738 -0.975 0.000 1.247 599 Q HN 0.525 nan 8.270 nan 0.000 0.455 600 G N 2.073 110.741 108.800 -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 -0.476 174.277 174.900 -0.244 0.000 1.421 600 G CA -0.092 44.875 45.100 -0.222 0.000 1.059 600 G HN 0.828 nan 8.290 nan 0.000 0.535 601 A N -1.509 121.157 122.820 -0.257 0.000 2.304 601 A HA 0.715 5.035 4.320 -0.001 0.000 0.271 601 A C -0.404 177.157 177.584 -0.037 0.000 1.091 601 A CA -0.216 51.708 52.037 -0.189 0.000 0.812 601 A CB 0.496 19.331 19.000 -0.274 0.000 1.056 601 A HN 0.575 nan 8.150 nan 0.000 0.489 602 L N 0.886 122.150 121.223 0.068 0.000 2.482 602 L HA 0.361 4.700 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 -1.846 53.057 54.840 0.105 0.000 0.836 602 L CB 2.645 44.763 42.059 0.098 0.000 1.324 602 L HN 0.429 nan 8.230 nan 0.000 0.406 603 P HA 0.165 nan 4.420 nan 0.000 0.259 603 P C 0.672 178.079 177.300 0.179 0.000 1.211 603 P CA 0.685 63.883 63.100 0.163 0.000 0.810 603 P CB 0.455 32.223 31.700 0.113 0.000 0.815 604 G N 2.366 111.318 108.800 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 1.335 121.144 119.600 0.347 0.000 2.233 605 M HA 0.521 5.001 4.480 -0.001 0.000 0.350 605 M C 0.471 177.003 176.300 0.386 0.000 1.176 605 M CA -0.207 55.321 55.300 0.380 0.000 1.150 605 M CB 1.540 34.376 32.600 0.395 0.000 1.530 605 M HN 0.482 nan 8.290 nan 0.000 0.459 606 V N 0.859 120.957 119.914 0.307 0.000 2.686 606 V HA 0.834 4.954 4.120 -0.001 0.000 0.306 606 V C -1.609 174.607 176.094 0.203 0.000 1.065 606 V CA -0.680 61.667 62.300 0.077 0.000 0.894 606 V CB 1.205 32.938 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 0.886 5.546 4.660 -0.001 0.000 0.339 607 W C -1.017 175.481 176.519 -0.034 0.000 1.198 607 W CA -1.064 56.262 57.345 -0.031 0.000 1.148 607 W CB 1.774 31.222 29.460 -0.020 0.000 1.451 607 W HN 0.685 nan 8.180 nan 0.000 0.564 608 Q N 1.967 121.873 119.800 0.177 0.000 2.274 608 Q HA 0.308 4.648 4.340 -0.001 0.000 0.260 608 Q C -0.402 175.718 176.000 0.199 0.000 0.974 608 Q CA -0.264 55.585 55.803 0.076 0.000 0.876 608 Q CB 1.323 30.089 28.738 0.046 0.000 1.297 608 Q HN 0.410 nan 8.270 nan 0.000 0.446 609 D N 1.057 121.542 120.400 0.142 0.000 2.414 609 D HA 0.205 4.844 4.640 -0.001 0.000 0.259 609 D C 0.484 176.874 176.300 0.150 0.000 1.269 609 D CA -0.194 53.933 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 -0.300 120.305 120.500 0.175 0.000 3.213 610 R HA 0.245 4.584 4.340 -0.001 0.000 0.188 610 R C -0.266 176.142 176.300 0.181 0.000 0.931 610 R CA 0.082 56.286 56.100 0.173 0.000 1.218 610 R CB 0.025 30.439 30.300 0.190 0.000 0.742 610 R HN 0.424 nan 8.270 nan 0.000 0.484 611 D N -0.844 119.653 120.400 0.161 0.000 2.581 611 D HA 0.318 4.957 4.640 -0.001 0.000 0.232 611 D C -1.632 174.555 176.300 -0.189 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 0.157 119.826 119.914 -0.408 0.000 2.483 612 V HA 0.694 4.814 4.120 -0.001 0.000 0.295 612 V C -1.080 174.839 176.094 -0.292 0.000 1.035 612 V CA -0.490 61.659 62.300 -0.251 0.000 0.896 612 V CB 0.761 32.399 31.823 -0.308 0.000 0.986 612 V HN 0.439 nan 8.190 nan 0.000 0.447 613 Y N 2.720 123.128 120.300 0.179 0.000 2.549 613 Y HA 0.581 5.130 4.550 -0.001 0.000 0.339 613 Y C 0.857 176.586 175.900 -0.284 0.000 1.053 613 Y CA -1.078 57.079 58.100 0.094 0.000 1.105 613 Y CB 1.517 40.063 38.460 0.144 0.000 1.258 613 Y HN 0.587 nan 8.280 nan 0.000 0.478 614 L N 1.412 122.285 121.223 -0.584 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 2.052 56.192 54.840 -1.167 0.000 0.764 614 L CB -0.437 41.006 42.059 -1.026 0.000 0.891 614 L HN 0.826 nan 8.230 nan 0.000 0.435 615 Q N -1.387 118.301 119.800 -0.186 0.000 2.179 615 Q HA 0.304 4.644 4.340 -0.001 0.000 0.213 615 Q C 0.664 176.684 176.000 0.033 0.000 0.833 615 Q CA 0.376 56.168 55.803 -0.018 0.000 0.990 615 Q CB -0.303 28.283 28.738 -0.253 0.000 1.132 615 Q HN 0.363 nan 8.270 nan 0.000 0.493 616 G N 2.282 111.238 108.800 0.260 0.000 2.547 616 G HA2 0.478 4.437 3.960 -0.001 0.000 0.291 616 G HA3 0.478 4.437 3.960 -0.001 0.000 0.291 616 G C -2.716 172.376 174.900 0.320 0.000 1.211 616 G CA -1.251 44.140 45.100 0.486 0.000 0.950 616 G HN 0.059 nan 8.290 nan 0.000 0.504 617 P HA 0.183 nan 4.420 nan 0.000 0.270 617 P C 0.434 177.700 177.300 -0.057 0.000 1.223 617 P CA -0.151 62.950 63.100 0.003 0.000 0.785 617 P CB 1.010 32.721 31.700 0.019 0.000 0.923 618 I N -1.051 119.346 120.570 -0.288 0.000 2.900 618 I HA 0.181 4.351 4.170 -0.001 0.000 0.251 618 I C 0.679 176.983 176.117 0.311 0.000 1.102 618 I CA 0.555 61.747 61.300 -0.180 0.000 1.457 618 I CB -0.298 37.642 38.000 -0.100 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 -1.201 175.430 176.519 0.187 0.000 1.190 619 W CA -1.218 56.279 57.345 0.254 0.000 1.011 619 W CB 0.822 30.472 29.460 0.317 0.000 1.511 619 W HN -0.068 nan 8.180 nan 0.000 0.606 620 A N 1.328 124.429 122.820 0.468 0.000 2.555 620 A HA 0.450 4.769 4.320 -0.001 0.000 0.297 620 A C -1.554 176.175 177.584 0.243 0.000 1.060 620 A CA -1.091 51.119 52.037 0.288 0.000 0.710 620 A CB 1.468 20.564 19.000 0.159 0.000 1.282 620 A HN 0.699 nan 8.150 nan 0.000 0.399 621 K N 3.541 124.031 120.400 0.151 0.000 2.315 621 K HA 0.366 4.685 4.320 -0.001 0.000 0.291 621 K C -0.484 176.066 176.600 -0.085 0.000 1.074 621 K CA -0.273 55.943 56.287 -0.118 0.000 0.936 621 K CB -0.235 31.977 32.500 -0.480 0.000 1.049 621 K HN 0.615 nan 8.250 nan 0.000 0.471 622 I N 7.585 128.080 120.570 -0.125 0.000 2.742 622 I HA -0.042 4.128 4.170 -0.001 0.000 0.287 622 I C -1.780 174.248 176.117 -0.148 0.000 1.186 622 I CA -1.580 59.624 61.300 -0.160 0.000 1.417 622 I CB 0.100 37.926 38.000 -0.291 0.000 1.377 622 I HN 0.474 nan 8.210 nan 0.000 0.556 623 P HA -0.095 nan 4.420 nan 0.000 0.265 623 P C -0.539 176.823 177.300 0.103 0.000 1.187 623 P CA 0.166 63.294 63.100 0.046 0.000 0.766 623 P CB 0.281 32.035 31.700 0.090 0.000 0.820 624 H N 1.786 120.875 119.070 0.032 0.000 2.982 624 H HA 0.269 4.825 4.556 -0.001 0.000 0.261 624 H C 0.252 175.636 175.328 0.092 0.000 1.603 624 H CA 0.012 56.096 56.048 0.060 0.000 1.398 624 H CB -0.546 29.217 29.762 0.001 0.000 1.693 624 H HN 0.322 nan 8.280 nan 0.000 0.535 625 T N -0.678 113.887 114.554 0.018 0.000 2.870 625 T HA 0.148 4.497 4.350 -0.001 0.000 0.277 625 T C 1.005 175.562 174.700 -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 70.018 68.868 -0.037 0.000 1.249 625 T HN 0.232 nan 8.240 nan 0.000 0.589 626 D N 0.418 120.705 120.400 -0.188 0.000 2.224 626 D HA 0.199 4.839 4.640 -0.001 0.000 0.205 626 D C 0.880 176.995 176.300 -0.309 0.000 0.965 626 D CA 1.099 54.982 54.000 -0.195 0.000 0.852 626 D CB -0.167 40.572 40.800 -0.103 0.000 0.947 626 D HN 0.826 nan 8.370 nan 0.000 0.494 627 G N -0.646 107.888 108.800 -0.443 0.000 2.733 627 G HA2 0.496 4.456 3.960 -0.001 0.000 0.297 627 G HA3 0.496 4.456 3.960 -0.001 0.000 0.297 627 G C -1.339 173.204 174.900 -0.594 0.000 1.422 627 G CA -0.688 44.125 45.100 -0.479 0.000 0.942 627 G HN 0.027 nan 8.290 nan 0.000 0.510 628 H N 1.314 120.397 119.070 0.021 0.000 2.928 628 H HA 0.512 5.067 4.556 -0.001 0.000 0.371 628 H C -0.429 174.978 175.328 0.133 0.000 1.186 628 H CA -0.684 55.398 56.048 0.057 0.000 1.134 628 H CB 2.523 32.293 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 0.832 176.768 175.800 0.227 0.000 1.073 629 F CA 0.692 58.782 58.000 0.150 0.000 1.073 629 F CB 0.343 39.407 39.000 0.106 0.000 1.114 629 F HN 0.514 nan 8.300 nan 0.000 0.588 630 H N 1.958 121.040 119.070 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 -2.149 53.890 56.048 -0.014 0.000 1.373 630 H CB 0.236 30.110 29.762 0.186 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 -0.379 176.916 177.300 -0.008 0.000 1.670 631 P CA 0.324 63.416 63.100 -0.013 0.000 1.017 631 P CB -0.338 31.286 31.700 -0.127 0.000 1.945 632 S N 1.898 117.663 115.700 0.108 0.000 2.437 632 S HA 0.502 4.972 4.470 -0.001 0.000 0.305 632 S C -2.498 172.193 174.600 0.152 0.000 1.109 632 S CA -2.107 56.180 58.200 0.146 0.000 1.099 632 S CB 0.269 63.630 63.200 0.267 0.000 1.004 632 S HN -0.026 nan 8.310 nan 0.000 0.475 633 P HA 0.032 nan 4.420 nan 0.000 0.258 633 P C 0.719 178.091 177.300 0.120 0.000 1.172 633 P CA 0.207 63.374 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 -0.166 4.173 4.340 -0.001 0.000 0.211 634 L C 2.065 179.002 176.870 0.112 0.000 1.089 634 L CA 1.567 56.471 54.840 0.107 0.000 0.757 634 L CB -0.416 41.693 42.059 0.082 0.000 0.899 634 L HN 0.489 nan 8.230 nan 0.000 0.434 635 M N -0.862 118.799 119.600 0.103 0.000 2.619 635 M HA 0.141 4.620 4.480 -0.001 0.000 0.251 635 M C 0.726 177.113 176.300 0.144 0.000 1.106 635 M CA 0.501 55.867 55.300 0.109 0.000 1.086 635 M CB -0.014 32.633 32.600 0.080 0.000 1.465 635 M HN 0.335 nan 8.290 nan 0.000 0.506 636 G N -0.141 108.737 108.800 0.131 0.000 2.674 636 G HA2 0.291 4.251 3.960 -0.001 0.000 0.686 636 G HA3 0.291 4.251 3.960 -0.001 0.000 0.686 636 G C -0.367 174.578 174.900 0.074 0.000 1.195 636 G CA -0.629 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 -0.551 108.223 108.800 -0.043 0.000 2.297 637 G HA2 0.451 4.411 3.960 -0.001 0.000 0.209 637 G HA3 0.451 4.411 3.960 -0.001 0.000 0.209 637 G C -0.650 174.077 174.900 -0.287 0.000 1.267 637 G CA -0.080 44.906 45.100 -0.191 0.000 1.127 637 G HN 1.625 nan 8.290 nan 0.000 0.498 638 F N 1.968 122.059 119.950 0.234 0.000 2.388 638 F HA 0.568 5.095 4.527 -0.001 0.000 0.358 638 F C 1.131 177.043 175.800 0.188 0.000 1.122 638 F CA 0.069 58.180 58.000 0.185 0.000 1.056 638 F CB 2.013 41.113 39.000 0.166 0.000 1.155 638 F HN 0.712 nan 8.300 nan 0.000 0.461 639 G N 5.181 114.135 108.800 0.258 0.000 2.360 639 G HA2 0.514 4.474 3.960 -0.001 0.000 0.279 639 G HA3 0.514 4.474 3.960 -0.001 0.000 0.279 639 G C -0.819 174.151 174.900 0.117 0.000 1.189 639 G CA -0.415 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 3.117 124.401 121.223 0.101 0.000 2.356 640 L HA 0.360 4.699 4.340 -0.001 0.000 0.277 640 L C 1.156 177.947 176.870 -0.133 0.000 0.996 640 L CA -1.115 53.748 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 0.424 nan 8.230 nan 0.000 0.413 641 K N 1.036 121.311 120.400 -0.208 0.000 2.026 641 K HA -0.035 4.285 4.320 -0.001 0.000 0.208 641 K C 0.324 176.468 176.600 -0.760 0.000 1.048 641 K CA 1.352 57.358 56.287 -0.469 0.000 0.929 641 K CB 0.043 32.266 32.500 -0.462 0.000 0.713 641 K HN 0.540 nan 8.250 nan 0.000 0.439 642 H N 0.581 119.527 119.070 -0.208 0.000 2.645 642 H HA 0.312 4.867 4.556 -0.001 0.000 0.257 642 H C -2.413 172.915 175.328 0.001 0.000 1.269 642 H CA -2.230 53.667 56.048 -0.252 0.000 1.409 642 H CB 1.150 30.910 29.762 -0.004 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 -2.155 60.842 63.100 -0.171 0.000 0.824 643 P CB 0.267 31.893 31.700 -0.125 0.000 1.092 644 P HA -0.031 nan 4.420 nan 0.000 0.251 644 P C -2.007 175.097 177.300 -0.327 0.000 1.154 644 P CA -0.083 62.318 63.100 -1.165 0.000 0.805 644 P CB -1.279 29.734 31.700 -1.144 0.000 0.759 645 P HA -0.073 nan 4.420 nan 0.000 0.270 645 P C -0.307 176.862 177.300 -0.218 0.000 1.221 645 P CA 0.291 63.285 63.100 -0.176 0.000 0.788 645 P CB 0.655 32.128 31.700 -0.379 0.000 0.904 646 Q N 0.501 120.144 119.800 -0.262 0.000 2.286 646 Q HA 0.344 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 -0.387 55.174 55.803 -0.404 0.000 0.912 646 Q CB 0.291 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 3.113 123.383 120.570 -0.500 0.000 2.307 647 I HA 0.198 4.368 4.170 -0.001 0.000 0.289 647 I C -0.417 175.454 176.117 -0.410 0.000 1.021 647 I CA -0.146 60.813 61.300 -0.569 0.000 1.224 647 I CB 0.801 38.399 38.000 -0.669 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 -0.680 0.000 2.359 648 M HA 0.609 5.089 4.480 -0.001 0.000 0.322 648 M C -0.739 175.526 176.300 -0.058 0.000 1.166 648 M CA -0.355 54.661 55.300 -0.472 0.000 1.067 648 M CB 1.441 33.411 32.600 -1.050 0.000 1.523 648 M HN 0.494 nan 8.290 nan 0.000 0.467 649 I N 2.257 122.961 120.570 0.223 0.000 2.775 649 I HA 0.684 4.854 4.170 -0.001 0.000 0.295 649 I C -1.844 174.303 176.117 0.049 0.000 1.287 649 I CA -0.234 61.149 61.300 0.139 0.000 1.029 649 I CB 1.694 39.657 38.000 -0.063 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 -0.203 0.000 2.598 650 K HA 0.549 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 0.611 32.428 32.500 -1.137 0.000 1.401 650 K HN 0.326 nan 8.250 nan 0.000 0.415 651 N N 1.183 119.775 118.700 -0.179 0.000 2.442 651 N HA 0.178 4.918 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 -0.319 52.677 53.050 -0.090 0.000 0.956 651 N CB 1.089 39.571 38.487 -0.009 0.000 1.067 651 N HN 0.655 nan 8.380 nan 0.000 0.474 652 T N 4.064 118.544 114.554 -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 61.416 62.100 -0.151 0.000 1.168 652 T CB 0.075 68.889 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 -0.368 0.000 1.195 653 P CA -0.143 62.493 63.100 -0.773 0.000 0.762 653 P CB 0.381 31.420 31.700 -1.101 0.000 0.799 654 V N 7.248 127.046 119.914 -0.194 0.000 2.334 654 V HA 0.266 4.386 4.120 -0.001 0.000 0.281 654 V C -2.111 174.113 176.094 0.217 0.000 1.016 654 V CA -2.159 60.148 62.300 0.011 0.000 0.832 654 V CB 1.461 33.300 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 0.238 177.629 177.300 0.151 0.000 1.195 655 P CA 0.458 63.626 63.100 0.114 0.000 0.762 655 P CB 0.686 32.200 31.700 -0.310 0.000 0.799 656 A N 4.372 127.323 122.820 0.218 0.000 2.404 656 A HA 0.034 4.354 4.320 -0.001 0.000 0.258 656 A C 0.725 178.402 177.584 0.155 0.000 1.644 656 A CA -0.053 52.077 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 0.595 nan 8.150 nan 0.000 0.602 657 N N 0.804 119.567 118.700 0.105 0.000 2.470 657 N HA 0.299 5.039 4.740 -0.001 0.000 0.268 657 N C -2.604 172.975 175.510 0.115 0.000 1.136 657 N CA -0.883 52.221 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 0.486 nan 4.420 nan 0.000 0.287 658 P C -2.632 174.714 177.300 0.077 0.000 1.270 658 P CA -1.251 61.951 63.100 0.169 0.000 0.844 658 P CB 0.288 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 0.530 177.862 177.300 0.052 0.000 1.240 659 P CA -0.204 62.909 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 -1.234 113.345 114.554 0.042 0.000 3.035 660 T HA -0.028 4.322 4.350 -0.001 0.000 0.268 660 T C 0.911 175.652 174.700 0.068 0.000 1.109 660 T CA 1.242 63.373 62.100 0.052 0.000 1.119 660 T CB -0.204 68.686 68.868 0.037 0.000 0.900 660 T HN 0.477 nan 8.240 nan 0.000 0.503 661 T N 1.028 115.620 114.554 0.063 0.000 2.867 661 T HA 0.486 4.835 4.350 -0.001 0.000 0.282 661 T C -0.740 174.034 174.700 0.123 0.000 1.000 661 T CA -0.972 61.180 62.100 0.087 0.000 1.042 661 T CB 0.257 69.156 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 -0.047 57.971 58.000 0.029 0.000 1.251 662 F CB 0.643 39.661 39.000 0.029 0.000 1.132 662 F HN 0.448 nan 8.300 nan 0.000 0.570 663 S N 6.926 122.121 115.700 -0.841 0.000 2.605 663 S HA 0.510 4.979 4.470 -0.001 0.000 0.308 663 S C -1.903 172.142 174.600 -0.924 0.000 1.113 663 S CA -1.282 56.498 58.200 -0.698 0.000 1.049 663 S CB 1.408 64.406 63.200 -0.337 0.000 1.001 663 S HN 0.532 nan 8.310 nan 0.000 0.480 664 P HA 0.224 nan 4.420 nan 0.000 0.236 664 P C 0.167 177.375 177.300 -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 0.910 123.628 122.820 -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 -0.209 51.768 52.037 -0.100 0.000 0.760 665 A CB -0.305 18.618 19.000 -0.127 0.000 0.995 665 A HN 0.066 nan 8.150 nan 0.000 0.501 666 K N 1.661 122.062 120.400 0.003 0.000 2.524 666 K HA 0.017 4.336 4.320 -0.001 0.000 0.279 666 K C -0.824 175.810 176.600 0.056 0.000 0.993 666 K CA 0.235 56.566 56.287 0.074 0.000 1.030 666 K CB 0.057 32.612 32.500 0.092 0.000 0.891 666 K HN 0.497 nan 8.250 nan 0.000 0.488 667 F N 2.986 122.938 119.950 0.002 0.000 2.456 667 F HA 0.244 4.771 4.527 -0.001 0.000 0.358 667 F C 0.706 176.421 175.800 -0.141 0.000 1.095 667 F CA 0.763 58.703 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 3.071 125.686 122.820 -0.342 0.000 2.704 668 A HA 0.181 4.501 4.320 -0.001 0.000 0.260 668 A C 0.127 177.474 177.584 -0.396 0.000 1.144 668 A CA 0.025 51.943 52.037 -0.199 0.000 0.985 668 A CB -0.124 18.861 19.000 -0.025 0.000 1.256 668 A HN 0.481 nan 8.150 nan 0.000 0.598 669 S N 0.713 116.009 115.700 -0.674 0.000 2.466 669 S HA 0.713 5.182 4.470 -0.001 0.000 0.313 669 S C -0.951 173.454 174.600 -0.325 0.000 1.078 669 S CA -0.338 57.626 58.200 -0.393 0.000 1.115 669 S CB -0.541 62.449 63.200 -0.350 0.000 1.006 669 S HN 0.202 nan 8.310 nan 0.000 0.487 670 F N 3.050 123.128 119.950 0.213 0.000 2.556 670 F HA 0.571 5.098 4.527 -0.001 0.000 0.327 670 F C 0.439 176.327 175.800 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 1.499 122.263 120.570 0.322 0.000 2.471 671 I HA 0.113 4.283 4.170 -0.001 0.000 0.286 671 I C 0.347 176.588 176.117 0.207 0.000 1.079 671 I CA -0.361 61.059 61.300 0.200 0.000 1.398 671 I CB 0.914 38.995 38.000 0.135 0.000 1.403 671 I HN 0.604 nan 8.210 nan 0.000 0.530 672 T N 4.488 119.136 114.554 0.157 0.000 2.814 672 T HA 0.396 4.746 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 61.539 62.100 0.132 0.000 1.123 672 T CB 0.770 69.695 68.868 0.094 0.000 0.902 672 T HN 0.731 nan 8.240 nan 0.000 0.528 673 Q N 2.307 122.179 119.800 0.119 0.000 2.472 673 Q HA 0.563 4.903 4.340 -0.001 0.000 0.281 673 Q C -1.773 174.306 176.000 0.132 0.000 0.997 673 Q CA -1.355 54.506 55.803 0.097 0.000 0.828 673 Q CB 1.494 30.250 28.738 0.030 0.000 1.443 673 Q HN 0.863 nan 8.270 nan 0.000 0.390 674 Y N -1.142 119.148 120.300 -0.015 0.000 2.545 674 Y HA 0.837 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 -0.825 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 1.066 116.825 115.700 0.099 0.000 2.621 675 S HA 0.849 5.319 4.470 -0.001 0.000 0.302 675 S C -0.651 174.035 174.600 0.142 0.000 1.093 675 S CA -0.460 57.789 58.200 0.083 0.000 1.017 675 S CB 1.940 65.280 63.200 0.233 0.000 1.077 675 S HN 1.073 nan 8.310 nan 0.000 0.517 676 T N -0.455 114.004 114.554 -0.159 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 -1.159 0.000 1.307 676 T CA 0.270 61.950 62.100 -0.700 0.000 1.019 676 T CB 1.058 69.720 68.868 -0.344 0.000 1.264 676 T HN 1.738 nan 8.240 nan 0.000 0.497 677 G N 1.796 109.449 108.800 -1.912 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 -2.091 172.012 174.900 -1.329 0.000 1.274 677 G CA -0.666 43.695 45.100 -1.232 0.000 0.857 677 G HN 0.768 nan 8.290 nan 0.000 0.499 678 Q N -1.353 118.044 119.800 -0.672 0.000 2.248 678 Q HA 0.758 5.098 4.340 -0.001 0.000 0.263 678 Q C -0.570 175.212 176.000 -0.364 0.000 1.007 678 Q CA -0.729 54.720 55.803 -0.589 0.000 0.877 678 Q CB 2.538 30.788 28.738 -0.813 0.000 1.315 678 Q HN 0.975 nan 8.270 nan 0.000 0.454 679 V N 0.200 120.025 119.914 -0.147 0.000 2.841 679 V HA 0.830 4.950 4.120 -0.001 0.000 0.310 679 V C -1.597 174.395 176.094 -0.170 0.000 1.090 679 V CA -0.317 61.873 62.300 -0.182 0.000 0.930 679 V CB 2.346 34.117 31.823 -0.086 0.000 1.014 679 V HN 0.692 nan 8.190 nan 0.000 0.425 680 S N 4.306 119.892 115.700 -0.189 0.000 2.557 680 S HA 0.817 5.287 4.470 -0.001 0.000 0.291 680 S C -1.478 172.953 174.600 -0.281 0.000 1.116 680 S CA -0.453 57.666 58.200 -0.136 0.000 0.992 680 S CB 1.595 64.834 63.200 0.065 0.000 1.028 680 S HN 0.878 nan 8.310 nan 0.000 0.484 681 V N 4.958 124.737 119.914 -0.224 0.000 2.443 681 V HA 0.498 4.618 4.120 -0.001 0.000 0.293 681 V C -0.232 175.784 176.094 -0.129 0.000 1.021 681 V CA -0.650 61.514 62.300 -0.227 0.000 0.848 681 V CB 1.478 33.020 31.823 -0.467 0.000 0.998 681 V HN 0.902 nan 8.190 nan 0.000 0.424 682 E N 5.478 125.614 120.200 -0.107 0.000 2.151 682 E HA 0.651 5.001 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 -0.520 55.829 56.400 -0.086 0.000 0.777 682 E CB 1.425 31.059 29.700 -0.109 0.000 1.108 682 E HN 0.647 nan 8.360 nan 0.000 0.401 683 I N 3.529 124.054 120.570 -0.075 0.000 2.498 683 I HA 0.270 4.439 4.170 -0.001 0.000 0.290 683 I C -0.218 175.768 176.117 -0.219 0.000 1.032 683 I CA -0.802 60.398 61.300 -0.167 0.000 1.073 683 I CB 2.063 39.912 38.000 -0.252 0.000 1.251 683 I HN 0.555 nan 8.210 nan 0.000 0.426 684 E N 5.214 125.233 120.200 -0.301 0.000 2.231 684 E HA 0.373 4.722 4.350 -0.001 0.000 0.277 684 E C -1.935 174.425 176.600 -0.399 0.000 0.999 684 E CA -0.584 55.692 56.400 -0.206 0.000 0.827 684 E CB 1.304 30.933 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 56.676 57.345 0.052 0.000 1.232 685 W CB 1.252 30.806 29.460 0.157 0.000 1.390 685 W HN 0.459 nan 8.180 nan 0.000 0.465 686 E N 3.252 123.601 120.200 0.248 0.000 2.331 686 E HA 0.474 4.823 4.350 -0.001 0.000 0.272 686 E C -0.902 175.977 176.600 0.464 0.000 1.036 686 E CA -0.285 56.269 56.400 0.258 0.000 0.864 686 E CB 0.824 30.600 29.700 0.126 0.000 1.035 686 E HN 0.461 nan 8.360 nan 0.000 0.408 687 L N 3.299 124.799 121.223 0.463 0.000 2.342 687 L HA 0.362 4.701 4.340 -0.001 0.000 0.271 687 L C -0.300 176.809 176.870 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 3.105 123.069 119.800 0.274 0.000 2.394 688 Q HA 0.251 4.591 4.340 -0.001 0.000 0.259 688 Q C -0.824 175.182 176.000 0.010 0.000 1.021 688 Q CA -0.786 54.981 55.803 -0.060 0.000 0.805 688 Q CB 1.166 29.621 28.738 -0.471 0.000 1.226 688 Q HN 0.343 nan 8.270 nan 0.000 0.476 689 K N 1.836 122.199 120.400 -0.062 0.000 2.230 689 K HA 0.051 4.370 4.320 -0.001 0.000 0.253 689 K C -0.099 176.243 176.600 -0.429 0.000 1.008 689 K CA -0.006 56.186 56.287 -0.159 0.000 0.910 689 K CB 0.658 33.075 32.500 -0.139 0.000 0.994 689 K HN 0.656 nan 8.250 nan 0.000 0.495 690 E N 1.984 121.816 120.200 -0.613 0.000 2.200 690 E HA 0.035 4.384 4.350 -0.001 0.000 0.283 690 E C -1.018 175.003 176.600 -0.964 0.000 1.015 690 E CA -0.206 55.413 56.400 -1.303 0.000 0.819 690 E CB 0.555 29.624 29.700 -1.052 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 -1.058 0.000 2.762 691 N HA 0.115 4.855 4.740 -0.001 0.000 0.252 691 N C -1.840 173.569 175.510 -0.169 0.000 1.269 691 N CA -0.222 52.577 53.050 -0.419 0.000 0.799 691 N CB 0.968 39.319 38.487 -0.228 0.000 1.173 691 N HN 0.232 nan 8.380 nan 0.000 0.516 692 S N 1.099 116.709 115.700 -0.151 0.000 2.513 692 S HA 0.444 4.914 4.470 -0.001 0.000 0.299 692 S C 0.063 174.685 174.600 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 0.261 nan 8.310 nan 0.000 0.485 693 K N 2.368 122.816 120.400 0.080 0.000 2.493 693 K HA 0.156 4.476 4.320 -0.001 0.000 0.207 693 K C 0.266 176.942 176.600 0.126 0.000 1.033 693 K CA -0.264 56.073 56.287 0.084 0.000 1.161 693 K CB -0.131 32.420 32.500 0.085 0.000 0.873 693 K HN 0.555 nan 8.250 nan 0.000 0.491 694 R N 0.964 121.536 120.500 0.119 0.000 2.502 694 R HA -0.108 4.232 4.340 -0.001 0.000 0.292 694 R C 1.083 177.474 176.300 0.152 0.000 0.998 694 R CA 0.236 56.420 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 5.831 127.146 121.300 0.024 0.000 2.452 695 W HA -0.091 4.568 4.660 -0.001 0.000 0.313 695 W C -0.102 176.426 176.519 0.015 0.000 1.176 695 W CA 1.125 58.479 57.345 0.015 0.000 1.350 695 W CB -0.230 29.238 29.460 0.013 0.000 1.148 695 W HN 0.754 nan 8.180 nan 0.000 0.498 696 N N 2.068 120.891 118.700 0.204 0.000 2.444 696 N HA 0.089 4.829 4.740 -0.001 0.000 0.255 696 N C -2.700 172.814 175.510 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 37.975 38.487 0.165 0.000 1.143 696 N HN -0.103 nan 8.380 nan 0.000 0.453 697 P HA 0.076 nan 4.420 nan 0.000 0.267 697 P C -0.196 177.122 177.300 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 1.351 121.576 120.200 0.042 0.000 2.292 698 E HA 0.367 4.716 4.350 -0.001 0.000 0.258 698 E C 0.290 176.943 176.600 0.088 0.000 1.115 698 E CA -0.995 55.452 56.400 0.078 0.000 0.929 698 E CB 0.808 30.574 29.700 0.110 0.000 1.161 698 E HN 0.439 nan 8.360 nan 0.000 0.453 699 I N -1.208 119.432 120.570 0.116 0.000 2.519 699 I HA 0.198 4.368 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 -0.487 60.903 61.300 0.151 0.000 1.381 699 I CB 0.653 38.724 38.000 0.117 0.000 1.417 699 I HN 0.169 nan 8.210 nan 0.000 0.540 700 Q N 4.675 124.626 119.800 0.251 0.000 2.394 700 Q HA 0.303 4.643 4.340 -0.001 0.000 0.273 700 Q C -1.407 174.731 176.000 0.230 0.000 1.089 700 Q CA -0.796 55.138 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 0.999 121.189 120.300 -0.182 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 58.870 58.100 -0.156 0.000 1.331 701 Y CB 0.989 39.123 38.460 -0.543 0.000 1.253 701 Y HN 0.616 nan 8.280 nan 0.000 0.529 702 T N 3.634 117.783 114.554 -0.676 0.000 2.840 702 T HA 0.433 4.782 4.350 -0.001 0.000 0.317 702 T C -1.239 173.224 174.700 -0.395 0.000 1.401 702 T CA -0.753 61.150 62.100 -0.329 0.000 1.028 702 T CB 0.868 69.663 68.868 -0.122 0.000 1.317 702 T HN 0.613 nan 8.240 nan 0.000 0.495 703 S N 2.052 117.698 115.700 -0.090 0.000 2.586 703 S HA 0.377 4.846 4.470 -0.001 0.000 0.274 703 S C 0.105 174.731 174.600 0.043 0.000 1.281 703 S CA -0.629 57.577 58.200 0.009 0.000 1.035 703 S CB 0.182 63.445 63.200 0.106 0.000 0.962 703 S HN 0.713 nan 8.310 nan 0.000 0.512 704 N N 1.934 120.663 118.700 0.048 0.000 2.427 704 N HA 0.054 4.794 4.740 -0.001 0.000 0.269 704 N C 0.651 176.207 175.510 0.077 0.000 1.235 704 N CA -0.126 52.965 53.050 0.068 0.000 0.934 704 N CB 0.170 38.658 38.487 0.002 0.000 1.121 704 N HN 0.755 nan 8.380 nan 0.000 0.480 705 Y N 1.097 121.394 120.300 -0.004 0.000 2.639 705 Y HA 0.078 4.627 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 -0.510 57.591 58.100 0.003 0.000 1.335 705 Y CB -0.160 38.300 38.460 0.000 0.000 0.994 705 Y HN 0.313 nan 8.280 nan 0.000 0.548 706 N N 2.532 120.871 118.700 -0.603 0.000 2.415 706 N HA -0.031 4.708 4.740 -0.001 0.000 0.248 706 N C -0.497 174.875 175.510 -0.230 0.000 1.271 706 N CA -0.202 52.525 53.050 -0.540 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 -0.175 0.000 2.453 707 K HA 0.003 4.322 4.320 -0.001 0.000 0.280 707 K C -0.303 176.250 176.600 -0.077 0.000 1.045 707 K CA 0.363 56.594 56.287 -0.092 0.000 1.059 707 K CB 0.216 32.673 32.500 -0.072 0.000 0.901 707 K HN 0.453 nan 8.250 nan 0.000 0.475 708 S N 2.786 118.454 115.700 -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 1.582 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 3.234 123.127 119.914 -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 1.484 63.765 62.300 -0.032 0.000 0.991 709 V CB -0.864 30.936 31.823 -0.037 0.000 0.638 709 V HN 0.836 nan 8.190 nan 0.000 0.457 710 N N -0.898 117.780 118.700 -0.036 0.000 2.472 710 N HA 0.477 5.217 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 -0.600 52.428 53.050 -0.036 0.000 0.940 710 N CB 1.974 40.426 38.487 -0.058 0.000 1.200 710 N HN 0.084 nan 8.380 nan 0.000 0.511 711 V N 1.382 121.290 119.914 -0.009 0.000 2.530 711 V HA 0.044 4.163 4.120 -0.001 0.000 0.282 711 V C -0.063 176.043 176.094 0.020 0.000 1.048 711 V CA -0.434 61.881 62.300 0.024 0.000 0.997 711 V CB 0.763 32.619 31.823 0.056 0.000 0.987 711 V HN 0.615 nan 8.190 nan 0.000 0.477 712 D N 4.645 125.080 120.400 0.058 0.000 2.487 712 D HA 0.105 4.745 4.640 -0.001 0.000 0.243 712 D C 0.110 176.534 176.300 0.206 0.000 1.154 712 D CA 0.680 54.714 54.000 0.058 0.000 0.876 712 D CB 0.015 40.940 40.800 0.209 0.000 1.161 712 D HN 0.483 nan 8.370 nan 0.000 0.478 713 F N 0.021 119.921 119.950 -0.082 0.000 2.563 713 F HA -0.266 4.261 4.527 -0.001 0.000 0.351 713 F C 0.315 176.095 175.800 -0.033 0.000 1.086 713 F CA 0.352 58.266 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 0.165 nan 8.300 nan 0.000 0.808 714 T N -0.761 113.722 114.554 -0.117 0.000 2.786 714 T HA 0.607 4.957 4.350 -0.001 0.000 0.316 714 T C -0.174 174.456 174.700 -0.116 0.000 1.503 714 T CA -0.464 61.650 62.100 0.023 0.000 1.019 714 T CB 1.927 70.823 68.868 0.046 0.000 1.415 714 T HN 0.495 nan 8.240 nan 0.000 0.496 715 V N 0.358 120.212 119.914 -0.101 0.000 3.185 715 V HA 0.637 4.756 4.120 -0.001 0.000 0.305 715 V C 0.235 176.275 176.094 -0.091 0.000 1.090 715 V CA -0.374 61.842 62.300 -0.141 0.000 1.107 715 V CB 0.395 32.109 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 1.393 177.669 176.300 -0.040 0.000 1.189 716 D CA 0.359 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 -2.968 111.566 114.554 -0.033 0.000 2.915 717 T HA -0.121 4.228 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 1.276 63.362 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 0.254 118.942 118.700 -0.021 0.000 2.291 718 N HA 0.413 5.153 4.740 -0.001 0.000 0.244 718 N C 0.714 176.216 175.510 -0.013 0.000 1.216 718 N CA -0.166 52.875 53.050 -0.014 0.000 0.879 718 N CB 0.293 38.772 38.487 -0.013 0.000 1.167 718 N HN 0.499 nan 8.380 nan 0.000 0.515 719 G N -0.128 108.659 108.800 -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 -0.938 173.945 174.900 -0.027 0.000 1.115 719 G CA -0.004 45.083 45.100 -0.023 0.000 1.122 719 G HN 0.343 nan 8.290 nan 0.000 0.522 720 V N 1.896 121.778 119.914 -0.053 0.000 2.488 720 V HA 0.412 4.532 4.120 -0.001 0.000 0.293 720 V C 0.018 176.067 176.094 -0.074 0.000 1.027 720 V CA -1.343 60.932 62.300 -0.042 0.000 0.862 720 V CB 1.518 33.320 31.823 -0.034 0.000 1.008 720 V HN 0.563 nan 8.190 nan 0.000 0.428 721 Y N 4.417 124.585 120.300 -0.220 0.000 2.511 721 Y HA 0.462 5.012 4.550 -0.001 0.000 0.332 721 Y C 0.717 176.532 175.900 -0.142 0.000 1.177 721 Y CA 0.265 58.212 58.100 -0.255 0.000 1.422 721 Y CB 1.016 39.301 38.460 -0.291 0.000 1.271 721 Y HN 0.730 nan 8.280 nan 0.000 0.550 722 S N 4.368 119.630 115.700 -0.729 0.000 2.619 722 S HA 0.413 4.883 4.470 -0.001 0.000 0.280 722 S C -1.507 172.639 174.600 -0.756 0.000 1.150 722 S CA -1.197 56.672 58.200 -0.553 0.000 0.978 722 S CB 1.406 64.400 63.200 -0.345 0.000 1.041 722 S HN 0.675 nan 8.310 nan 0.000 0.485 723 E N 3.089 122.954 120.200 -0.559 0.000 2.001 723 E HA 0.218 4.568 4.350 -0.001 0.000 0.279 723 E C -1.856 174.387 176.600 -0.594 0.000 1.045 723 E CA -2.003 54.034 56.400 -0.604 0.000 0.833 723 E CB 0.463 30.048 29.700 -0.192 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 0.202 177.339 177.300 -0.273 0.000 1.180 724 P CA 1.520 64.322 63.100 -0.495 0.000 0.935 724 P CB 0.181 31.559 31.700 -0.537 0.000 0.785 725 R N -1.613 118.777 120.500 -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 0.015 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 0.198 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 -0.369 62.791 63.100 0.100 0.000 0.790 726 P CB 0.525 32.252 31.700 0.045 0.000 0.951 727 I N 1.883 122.648 120.570 0.325 0.000 2.382 727 I HA 0.302 4.472 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 -0.312 61.215 61.300 0.379 0.000 1.135 727 I CB 0.752 38.849 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 0.585 0.000 2.631 728 G HA2 0.223 4.182 3.960 -0.001 0.000 0.271 728 G HA3 0.223 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 0.146 45.461 45.100 0.359 0.000 1.002 728 G HN 0.577 nan 8.290 nan 0.000 0.519 729 T N -1.404 113.240 114.554 0.150 0.000 2.986 729 T HA 0.176 4.526 4.350 -0.001 0.000 0.264 729 T C 0.911 175.721 174.700 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 68.961 68.868 0.117 0.000 1.163 729 T HN 0.362 nan 8.240 nan 0.000 0.517 730 R N 1.204 121.800 120.500 0.160 0.000 2.391 730 R HA 0.345 4.684 4.340 -0.001 0.000 0.310 730 R C -0.592 175.743 176.300 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 30.614 30.300 -0.105 0.000 1.134 730 R HN 0.327 nan 8.270 nan 0.000 0.524 731 Y N 0.601 120.925 120.300 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 -0.068 58.076 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 0.735 122.119 121.223 0.268 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 0.163 0.000 1.036 732 L CA -0.764 54.262 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 -0.230 114.424 114.554 0.167 0.000 2.794 733 T HA 0.573 4.922 4.350 -0.001 0.000 0.280 733 T C -0.413 174.219 174.700 -0.112 0.000 0.987 733 T CA -0.876 61.234 62.100 0.017 0.000 0.993 733 T CB 2.028 70.938 68.868 0.069 0.000 0.939 733 T HN 0.592 nan 8.240 nan 0.000 0.449 734 R N 2.088 122.401 120.500 -0.312 0.000 2.807 734 R HA 0.476 4.816 4.340 -0.001 0.000 0.276 734 R C -0.727 175.503 176.300 -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 0.953 119.622 118.700 -0.052 0.000 2.374 735 N HA 0.344 5.084 4.740 -0.001 0.000 0.284 735 N C -0.220 175.321 175.510 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 0.000 121.219 121.223 -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 41.952 42.059 -0.178 0.000 0.961 736 L HN 0.000 nan 8.230 nan 0.000 0.502