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_H 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 1.705 124.545 122.820 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 20.583 19.000 0.032 0.000 1.248 218 A HN 0.516 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 0.673 176.993 176.300 0.034 0.000 1.212 219 D CA 0.279 54.299 54.000 0.033 0.000 1.055 219 D CB 1.318 42.138 40.800 0.033 0.000 1.351 219 D HN 0.676 nan 8.370 nan 0.000 0.611 220 G N -0.707 108.112 108.800 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 0.811 175.729 174.900 0.030 0.000 1.365 220 G CA -0.217 44.900 45.100 0.028 0.000 1.041 220 G HN 0.203 nan 8.290 nan 0.000 0.560 221 V N 0.471 120.399 119.914 0.023 0.000 2.273 221 V HA 0.110 4.230 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 1.854 64.166 62.300 0.021 0.000 1.013 221 V CB -0.662 31.169 31.823 0.014 0.000 0.652 221 V HN 0.731 nan 8.190 nan 0.000 0.452 222 G N 1.189 109.999 108.800 0.017 0.000 3.709 222 G HA2 0.233 4.193 3.960 -0.001 0.000 0.272 222 G HA3 0.233 4.193 3.960 -0.001 0.000 0.272 222 G C -0.120 174.791 174.900 0.020 0.000 1.259 222 G CA 0.011 45.121 45.100 0.015 0.000 1.512 222 G HN 0.426 nan 8.290 nan 0.000 0.625 223 N N 0.147 118.863 118.700 0.027 0.000 2.571 223 N HA 0.215 4.954 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 1.335 39.839 38.487 0.027 0.000 1.414 223 N HN 0.067 nan 8.380 nan 0.000 0.529 224 S N 1.654 117.386 115.700 0.053 0.000 2.544 224 S HA 0.034 4.504 4.470 -0.001 0.000 0.290 224 S C 0.882 175.535 174.600 0.088 0.000 1.276 224 S CA -0.105 58.145 58.200 0.084 0.000 1.075 224 S CB 0.378 63.631 63.200 0.089 0.000 0.849 224 S HN 0.562 nan 8.310 nan 0.000 0.494 225 S N 1.738 117.518 115.700 0.134 0.000 2.743 225 S HA 0.542 5.012 4.470 -0.001 0.000 0.230 225 S C 0.716 175.364 174.600 0.080 0.000 0.950 225 S CA -0.276 57.998 58.200 0.123 0.000 0.976 225 S CB -0.721 62.578 63.200 0.165 0.000 0.779 225 S HN 1.526 nan 8.310 nan 0.000 0.487 226 G N 0.295 109.102 108.800 0.010 0.000 2.340 226 G HA2 0.342 4.302 3.960 -0.001 0.000 0.298 226 G HA3 0.342 4.302 3.960 -0.001 0.000 0.298 226 G C -1.802 172.966 174.900 -0.221 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 -0.713 117.805 118.700 -0.303 0.000 2.471 227 N HA 0.428 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 -0.164 0.000 1.256 227 N HN 0.536 nan 8.380 nan 0.000 0.534 228 W N 2.783 124.019 121.300 -0.106 0.000 2.365 228 W HA 0.142 4.802 4.660 -0.001 0.000 0.371 228 W C -0.954 175.467 176.519 -0.162 0.000 1.006 228 W CA 0.002 57.340 57.345 -0.012 0.000 1.528 228 W CB -0.285 29.175 29.460 -0.000 0.000 1.497 228 W HN 0.458 nan 8.180 nan 0.000 0.367 229 H N 4.861 123.856 119.070 -0.125 0.000 2.787 229 H HA 0.181 4.736 4.556 -0.001 0.000 0.275 229 H C -0.190 175.022 175.328 -0.194 0.000 1.183 229 H CA -0.033 55.952 56.048 -0.106 0.000 1.290 229 H CB 1.089 30.777 29.762 -0.123 0.000 1.438 229 H HN 0.159 nan 8.280 nan 0.000 0.487 230 C N 4.469 123.772 119.300 0.005 0.000 2.547 230 C HA 0.354 4.813 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 -0.358 58.661 59.018 0.002 0.000 1.390 230 C CB -0.410 27.346 27.740 0.027 0.000 1.918 230 C HN 0.929 nan 8.230 nan 0.000 0.438 231 D N 2.154 122.576 120.400 0.037 0.000 2.710 231 D HA 0.642 5.282 4.640 -0.001 0.000 0.276 231 D C -1.276 175.017 176.300 -0.010 0.000 1.267 231 D CA 0.158 54.180 54.000 0.037 0.000 0.772 231 D CB 2.110 42.945 40.800 0.059 0.000 1.299 231 D HN 0.627 nan 8.370 nan 0.000 0.421 232 S N 0.812 116.503 115.700 -0.015 0.000 2.603 232 S HA 0.726 5.195 4.470 -0.001 0.000 0.274 232 S C -1.461 173.104 174.600 -0.059 0.000 1.168 232 S CA -0.851 57.289 58.200 -0.100 0.000 0.963 232 S CB 1.723 64.809 63.200 -0.190 0.000 1.078 232 S HN 0.462 nan 8.310 nan 0.000 0.477 233 Q N 1.406 121.144 119.800 -0.104 0.000 2.458 233 Q HA 0.808 5.148 4.340 -0.001 0.000 0.282 233 Q C -1.676 174.265 176.000 -0.099 0.000 1.106 233 Q CA -0.592 55.224 55.803 0.022 0.000 0.814 233 Q CB 0.428 29.209 28.738 0.073 0.000 1.425 233 Q HN 0.761 nan 8.270 nan 0.000 0.437 234 W N 0.340 121.660 121.300 0.033 0.000 2.639 234 W HA 0.573 5.233 4.660 -0.001 0.000 0.347 234 W C -0.011 176.529 176.519 0.035 0.000 1.067 234 W CA -0.782 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 2.771 124.151 121.223 0.261 0.000 2.906 235 L HA 0.234 4.574 4.340 -0.001 0.000 0.255 235 L C 1.665 178.630 176.870 0.158 0.000 1.166 235 L CA 0.902 55.840 54.840 0.163 0.000 0.977 235 L CB -0.743 41.380 42.059 0.106 0.000 1.313 235 L HN 1.013 nan 8.230 nan 0.000 0.549 236 G N 1.078 110.008 108.800 0.216 0.000 2.480 236 G HA2 -0.446 3.514 3.960 -0.001 0.000 0.246 236 G HA3 -0.446 3.514 3.960 -0.001 0.000 0.246 236 G C 0.988 175.972 174.900 0.139 0.000 1.073 236 G CA 1.121 46.309 45.100 0.147 0.000 0.643 236 G HN 0.384 nan 8.290 nan 0.000 0.525 237 D N 0.352 120.835 120.400 0.138 0.000 2.388 237 D HA 0.190 4.829 4.640 -0.001 0.000 0.208 237 D C 1.229 177.633 176.300 0.173 0.000 1.035 237 D CA 1.173 55.250 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 -1.746 118.866 120.500 0.186 0.000 2.741 238 R HA 0.568 4.907 4.340 -0.001 0.000 0.276 238 R C -2.037 174.351 176.300 0.146 0.000 1.028 238 R CA -0.979 55.235 56.100 0.190 0.000 0.865 238 R CB 1.075 31.457 30.300 0.136 0.000 1.268 238 R HN -0.128 nan 8.270 nan 0.000 0.475 239 V N 1.629 121.596 119.914 0.087 0.000 2.686 239 V HA 0.565 4.684 4.120 -0.001 0.000 0.306 239 V C -1.576 174.488 176.094 -0.051 0.000 1.065 239 V CA -0.878 61.323 62.300 -0.166 0.000 0.894 239 V CB 1.956 33.356 31.823 -0.705 0.000 1.004 239 V HN 0.673 nan 8.190 nan 0.000 0.424 240 I N 5.594 126.081 120.570 -0.139 0.000 2.339 240 I HA 0.505 4.675 4.170 -0.001 0.000 0.290 240 I C 0.441 176.478 176.117 -0.134 0.000 0.994 240 I CA 0.071 61.333 61.300 -0.064 0.000 1.191 240 I CB 2.055 40.016 38.000 -0.066 0.000 1.343 240 I HN 0.783 nan 8.210 nan 0.000 0.458 241 T N 1.453 115.971 114.554 -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 2.896 117.414 114.554 -0.059 0.000 2.794 242 T HA 0.637 4.987 4.350 -0.001 0.000 0.280 242 T C -0.301 174.374 174.700 -0.043 0.000 0.987 242 T CA -0.737 61.335 62.100 -0.045 0.000 0.993 242 T CB 1.450 70.296 68.868 -0.037 0.000 0.939 242 T HN 0.703 nan 8.240 nan 0.000 0.449 243 S N 1.931 117.594 115.700 -0.061 0.000 2.571 243 S HA 0.684 5.154 4.470 -0.001 0.000 0.284 243 S C -0.935 173.546 174.600 -0.199 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 5.324 119.658 114.554 -0.366 0.000 2.881 244 T HA 0.665 5.015 4.350 -0.001 0.000 0.290 244 T C -0.958 173.362 174.700 -0.634 0.000 1.000 244 T CA -0.840 60.883 62.100 -0.628 0.000 0.978 244 T CB 1.090 69.238 68.868 -1.199 0.000 0.997 244 T HN 0.505 nan 8.240 nan 0.000 0.443 245 R N 1.232 121.566 120.500 -0.276 0.000 2.836 245 R HA 0.637 4.976 4.340 -0.001 0.000 0.269 245 R C -0.817 175.618 176.300 0.224 0.000 1.010 245 R CA -0.816 55.352 56.100 0.113 0.000 0.930 245 R CB 1.680 32.190 30.300 0.350 0.000 1.218 245 R HN 0.564 nan 8.270 nan 0.000 0.473 246 T N 2.618 117.361 114.554 0.315 0.000 2.799 246 T HA 0.514 4.863 4.350 -0.001 0.000 0.286 246 T C -0.193 174.463 174.700 -0.074 0.000 0.973 246 T CA -0.623 61.517 62.100 0.067 0.000 1.035 246 T CB 0.659 69.560 68.868 0.055 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 -0.264 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 -1.716 55.195 57.345 -0.723 0.000 1.174 247 W CB 1.392 30.499 29.460 -0.588 0.000 1.427 247 W HN 0.730 nan 8.180 nan 0.000 0.547 248 A N 2.733 125.539 122.820 -0.022 0.000 2.414 248 A HA 0.761 5.081 4.320 -0.001 0.000 0.306 248 A C -2.198 175.506 177.584 0.201 0.000 1.054 248 A CA -0.759 51.341 52.037 0.105 0.000 0.724 248 A CB 1.979 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 3.677 125.071 121.223 0.285 0.000 2.404 249 L HA 0.689 5.028 4.340 -0.001 0.000 0.272 249 L C -2.682 174.239 176.870 0.085 0.000 0.980 249 L CA -1.585 53.352 54.840 0.161 0.000 0.836 249 L CB 2.123 44.274 42.059 0.152 0.000 1.238 249 L HN 0.443 nan 8.230 nan 0.000 0.408 250 P HA 0.374 nan 4.420 nan 0.000 0.293 250 P C -1.048 176.095 177.300 -0.262 0.000 1.304 250 P CA -0.419 62.541 63.100 -0.234 0.000 0.767 250 P CB 0.540 31.931 31.700 -0.515 0.000 1.247 251 T N 0.611 114.997 114.554 -0.279 0.000 2.762 251 T HA 0.320 4.670 4.350 -0.001 0.000 0.303 251 T C -0.361 174.132 174.700 -0.344 0.000 0.977 251 T CA 0.081 62.005 62.100 -0.293 0.000 0.961 251 T CB -0.851 67.802 68.868 -0.359 0.000 0.944 251 T HN 0.126 nan 8.240 nan 0.000 0.481 252 Y N 2.084 122.279 120.300 -0.175 0.000 2.301 252 Y HA 0.187 4.737 4.550 -0.001 0.000 0.328 252 Y C 1.685 177.499 175.900 -0.143 0.000 1.242 252 Y CA -0.212 57.813 58.100 -0.126 0.000 1.323 252 Y CB 0.409 38.824 38.460 -0.075 0.000 1.266 252 Y HN 0.706 nan 8.280 nan 0.000 0.527 253 N N 1.936 120.691 118.700 0.092 0.000 2.650 253 N HA -0.395 4.345 4.740 -0.001 0.000 0.249 253 N C -0.365 175.138 175.510 -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 37.919 38.487 0.051 0.000 1.132 253 N HN 0.766 nan 8.380 nan 0.000 0.564 254 N N 0.171 118.809 118.700 -0.104 0.000 2.714 254 N HA -0.208 4.532 4.740 -0.001 0.000 0.253 254 N C -0.559 174.897 175.510 -0.089 0.000 1.024 254 N CA 2.032 54.999 53.050 -0.138 0.000 0.726 254 N CB -1.746 36.752 38.487 0.018 0.000 0.908 254 N HN 0.721 nan 8.380 nan 0.000 0.542 255 H N -2.727 116.297 119.070 -0.076 0.000 2.861 255 H HA -0.202 4.353 4.556 -0.001 0.000 0.289 255 H C -0.159 175.144 175.328 -0.042 0.000 1.176 255 H CA 1.213 57.165 56.048 -0.159 0.000 1.146 255 H CB -1.139 28.389 29.762 -0.392 0.000 1.330 255 H HN 0.352 nan 8.280 nan 0.000 0.379 256 L N 0.131 121.397 121.223 0.072 0.000 2.401 256 L HA 0.452 4.792 4.340 -0.001 0.000 0.266 256 L C -0.242 176.689 176.870 0.101 0.000 0.991 256 L CA -1.029 53.900 54.840 0.149 0.000 0.818 256 L CB 1.407 43.570 42.059 0.174 0.000 1.321 256 L HN 0.021 nan 8.230 nan 0.000 0.413 257 Y N 2.072 122.524 120.300 0.254 0.000 2.336 257 Y HA 0.324 4.874 4.550 -0.001 0.000 0.335 257 Y C 0.029 176.086 175.900 0.262 0.000 1.046 257 Y CA -0.165 58.122 58.100 0.312 0.000 1.198 257 Y CB 1.018 39.732 38.460 0.423 0.000 1.182 257 Y HN 0.284 nan 8.280 nan 0.000 0.502 258 K N 2.869 123.479 120.400 0.350 0.000 2.270 258 K HA 0.225 4.544 4.320 -0.001 0.000 0.255 258 K C -0.820 175.870 176.600 0.150 0.000 0.936 258 K CA -1.060 55.353 56.287 0.210 0.000 0.809 258 K CB 1.967 34.532 32.500 0.109 0.000 1.131 258 K HN 0.597 nan 8.250 nan 0.000 0.427 259 Q N 5.111 124.919 119.800 0.014 0.000 2.307 259 Q HA 0.195 4.534 4.340 -0.001 0.000 0.261 259 Q C -0.526 175.223 176.000 -0.419 0.000 1.051 259 Q CA -0.334 55.226 55.803 -0.404 0.000 0.911 259 Q CB 0.200 28.742 28.738 -0.325 0.000 1.227 259 Q HN 0.581 nan 8.270 nan 0.000 0.418 260 I N 1.030 121.259 120.570 -0.568 0.000 2.707 260 I HA 0.793 4.963 4.170 -0.001 0.000 0.309 260 I C -0.508 175.250 176.117 -0.598 0.000 1.001 260 I CA -0.726 60.344 61.300 -0.383 0.000 1.129 260 I CB 2.079 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 1.868 117.258 115.700 -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 -0.592 57.147 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 1.147 116.364 115.700 -0.805 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 -0.553 57.507 58.200 -0.234 0.000 1.039 262 S CB 0.291 63.556 63.200 0.107 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 0.035 0.000 2.349 263 Q HA 0.055 4.394 4.340 -0.001 0.000 0.287 263 Q C -0.356 175.670 176.000 0.042 0.000 1.044 263 Q CA 0.381 56.198 55.803 0.024 0.000 0.918 263 Q CB 0.548 29.296 28.738 0.018 0.000 1.242 263 Q HN 0.827 nan 8.270 nan 0.000 0.405 264 S N 2.508 118.228 115.700 0.033 0.000 2.711 264 S HA 0.210 4.680 4.470 -0.001 0.000 0.335 264 S C 0.681 175.311 174.600 0.049 0.000 1.175 264 S CA 0.423 58.650 58.200 0.045 0.000 1.372 264 S CB -0.743 62.469 63.200 0.020 0.000 1.337 264 S HN 0.812 nan 8.310 nan 0.000 0.572 265 G N 2.019 110.873 108.800 0.091 0.000 2.353 265 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.294 265 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.294 265 G C 0.465 175.370 174.900 0.007 0.000 1.077 265 G CA -0.022 45.117 45.100 0.064 0.000 1.098 265 G HN 0.958 nan 8.290 nan 0.000 0.511 266 A N -1.075 121.724 122.820 -0.035 0.000 2.127 266 A HA 0.818 5.137 4.320 -0.001 0.000 0.204 266 A C 1.085 178.601 177.584 -0.112 0.000 1.243 266 A CA 1.603 53.604 52.037 -0.060 0.000 0.887 266 A CB 0.834 19.808 19.000 -0.044 0.000 0.933 266 A HN 1.558 nan 8.150 nan 0.000 0.479 267 S N -1.999 113.575 115.700 -0.209 0.000 2.552 267 S HA 0.334 4.804 4.470 -0.001 0.000 0.272 267 S C 0.027 174.370 174.600 -0.428 0.000 1.150 267 S CA -0.393 57.657 58.200 -0.250 0.000 0.849 267 S CB 1.261 64.330 63.200 -0.218 0.000 1.113 267 S HN 0.406 nan 8.310 nan 0.000 0.458 268 N N 0.664 119.239 118.700 -0.207 0.000 2.571 268 N HA 0.034 4.774 4.740 -0.001 0.000 0.195 268 N C 0.017 175.568 175.510 0.069 0.000 1.040 268 N CA 0.202 53.241 53.050 -0.019 0.000 0.890 268 N CB 0.129 38.667 38.487 0.085 0.000 1.233 268 N HN 0.510 nan 8.380 nan 0.000 0.435 269 D N 0.651 121.059 120.400 0.013 0.000 2.363 269 D HA 0.030 4.670 4.640 -0.001 0.000 0.226 269 D C -0.019 176.294 176.300 0.021 0.000 1.020 269 D CA 0.631 54.670 54.000 0.064 0.000 0.892 269 D CB -0.200 40.657 40.800 0.094 0.000 0.900 269 D HN 0.408 nan 8.370 nan 0.000 0.531 270 N N -0.600 118.070 118.700 -0.049 0.000 2.200 270 N HA 0.006 4.745 4.740 -0.001 0.000 0.224 270 N C 0.040 175.595 175.510 0.074 0.000 1.179 270 N CA -0.353 52.675 53.050 -0.036 0.000 0.877 270 N CB 0.733 39.150 38.487 -0.116 0.000 1.072 270 N HN 0.070 nan 8.380 nan 0.000 0.519 271 H N 1.120 120.274 119.070 0.141 0.000 2.871 271 H HA 0.044 4.600 4.556 -0.001 0.000 0.355 271 H C -0.422 175.081 175.328 0.291 0.000 1.092 271 H CA 0.678 56.834 56.048 0.180 0.000 1.420 271 H CB 0.367 30.184 29.762 0.092 0.000 1.400 271 H HN 0.259 nan 8.280 nan 0.000 0.604 272 Y N 0.544 120.967 120.300 0.206 0.000 2.702 272 Y HA 0.472 5.021 4.550 -0.001 0.000 0.336 272 Y C -2.271 173.744 175.900 0.193 0.000 1.203 272 Y CA -1.377 56.814 58.100 0.151 0.000 1.072 272 Y CB 1.305 39.809 38.460 0.073 0.000 1.327 272 Y HN 0.403 nan 8.280 nan 0.000 0.456 273 F N 1.281 121.200 119.950 -0.052 0.000 2.588 273 F HA 0.833 5.359 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 0.037 57.917 58.000 -0.199 0.000 0.961 273 F CB 1.968 40.875 39.000 -0.155 0.000 1.239 273 F HN 1.087 nan 8.300 nan 0.000 0.448 274 G N 2.933 111.225 108.800 -0.845 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 -2.405 171.863 174.900 -1.054 0.000 1.223 274 G CA -0.579 44.138 45.100 -0.638 0.000 0.871 274 G HN 0.516 nan 8.290 nan 0.000 0.492 275 Y N -0.892 119.041 120.300 -0.611 0.000 2.588 275 Y HA 0.729 5.278 4.550 -0.001 0.000 0.343 275 Y C 0.094 175.842 175.900 -0.253 0.000 1.065 275 Y CA -0.797 57.073 58.100 -0.384 0.000 1.038 275 Y CB 2.602 40.945 38.460 -0.195 0.000 1.297 275 Y HN 0.537 nan 8.280 nan 0.000 0.467 276 S N 1.299 117.075 115.700 0.126 0.000 2.456 276 S HA 0.572 5.041 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 -0.540 57.727 58.200 0.111 0.000 1.101 276 S CB 0.195 63.429 63.200 0.056 0.000 0.995 276 S HN 0.701 nan 8.310 nan 0.000 0.468 277 T N 2.736 117.424 114.554 0.223 0.000 2.902 277 T HA 0.563 4.913 4.350 -0.001 0.000 0.283 277 T C -2.424 172.289 174.700 0.021 0.000 1.009 277 T CA -2.080 60.095 62.100 0.125 0.000 1.051 277 T CB 1.375 70.554 68.868 0.518 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 -0.691 176.569 177.300 -0.068 0.000 1.197 278 P CA 0.041 63.071 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 0.322 121.606 121.300 -0.026 0.000 2.375 279 W HA 0.560 5.220 4.660 -0.001 0.000 0.336 279 W C 1.072 177.571 176.519 -0.035 0.000 1.160 279 W CA -0.046 57.297 57.345 -0.004 0.000 1.266 279 W CB 0.689 30.139 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 -1.970 172.930 174.900 -0.001 0.000 1.315 280 G CA -0.710 44.365 45.100 -0.042 0.000 1.045 280 G HN 0.574 nan 8.290 nan 0.000 0.517 281 Y N -2.925 117.227 120.300 -0.247 0.000 2.624 281 Y HA 0.733 5.282 4.550 -0.001 0.000 0.334 281 Y C -1.790 173.917 175.900 -0.323 0.000 1.155 281 Y CA -2.189 55.754 58.100 -0.262 0.000 1.046 281 Y CB 1.063 39.410 38.460 -0.190 0.000 1.316 281 Y HN 0.395 nan 8.280 nan 0.000 0.457 282 F N 1.552 121.555 119.950 0.087 0.000 2.422 282 F HA 0.566 5.093 4.527 -0.001 0.000 0.333 282 F C -0.265 175.637 175.800 0.169 0.000 1.095 282 F CA -0.078 58.012 58.000 0.150 0.000 1.038 282 F CB 1.695 40.861 39.000 0.276 0.000 1.156 282 F HN 0.636 nan 8.300 nan 0.000 0.483 283 D N 1.719 122.312 120.400 0.321 0.000 2.753 283 D HA 0.446 5.086 4.640 -0.001 0.000 0.224 283 D C -0.885 175.497 176.300 0.137 0.000 1.213 283 D CA -0.517 53.524 54.000 0.068 0.000 0.833 283 D CB 1.291 42.142 40.800 0.086 0.000 1.607 283 D HN 0.288 nan 8.370 nan 0.000 0.463 284 F N 0.609 120.659 119.950 0.168 0.000 2.656 284 F HA 0.386 4.912 4.527 -0.001 0.000 0.363 284 F C 0.304 176.154 175.800 0.083 0.000 1.313 284 F CA -0.814 57.249 58.000 0.103 0.000 1.089 284 F CB -0.974 38.179 39.000 0.255 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 4.872 4.740 -0.001 0.000 0.230 285 N C -0.381 174.926 175.510 -0.339 0.000 1.310 285 N CA 0.011 52.701 53.050 -0.601 0.000 0.886 285 N CB 0.184 38.122 38.487 -0.914 0.000 1.205 285 N HN 0.370 nan 8.380 nan 0.000 0.488 286 R N -0.413 119.964 120.500 -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 1.015 120.961 119.950 -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 -2.792 116.344 119.070 0.109 0.000 2.561 288 H HA -0.039 4.517 4.556 -0.001 0.000 0.278 288 H C 1.752 177.093 175.328 0.021 0.000 1.014 288 H CA 0.577 56.650 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 -0.235 0.000 2.432 289 C HA -0.033 4.427 4.460 -0.001 0.000 0.280 289 C C 1.846 176.603 174.990 -0.388 0.000 1.353 289 C CA 1.010 59.815 59.018 -0.355 0.000 1.766 289 C CB -0.613 26.752 27.740 -0.624 0.000 1.924 289 C HN 0.799 nan 8.230 nan 0.000 0.509 290 H N -2.789 116.401 119.070 0.199 0.000 2.521 290 H HA 0.243 4.799 4.556 -0.001 0.000 0.267 290 H C 0.128 175.417 175.328 -0.066 0.000 0.963 290 H CA 0.192 56.288 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 2.896 122.983 119.950 0.229 0.000 2.394 291 F HA 0.261 4.788 4.527 -0.001 0.000 0.340 291 F C 1.143 177.018 175.800 0.125 0.000 1.105 291 F CA -0.855 57.245 58.000 0.165 0.000 1.124 291 F CB 1.205 40.361 39.000 0.260 0.000 1.145 291 F HN -0.037 nan 8.300 nan 0.000 0.505 292 S N 2.733 118.598 115.700 0.274 0.000 2.632 292 S HA 0.370 4.839 4.470 -0.001 0.000 0.267 292 S C -2.024 172.680 174.600 0.173 0.000 1.276 292 S CA -1.169 57.145 58.200 0.189 0.000 0.998 292 S CB 1.509 64.800 63.200 0.152 0.000 0.953 292 S HN 0.343 nan 8.310 nan 0.000 0.547 293 P HA -0.173 nan 4.420 nan 0.000 0.216 293 P C 1.713 179.005 177.300 -0.013 0.000 1.157 293 P CA 1.305 64.309 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 0.345 120.886 120.500 0.069 0.000 2.070 294 R HA -0.144 4.196 4.340 -0.001 0.000 0.233 294 R C 1.835 178.225 176.300 0.149 0.000 1.137 294 R CA 2.059 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 -0.350 120.210 120.400 0.267 0.000 2.116 295 D HA -0.257 4.382 4.640 -0.001 0.000 0.193 295 D C 1.689 178.233 176.300 0.406 0.000 0.998 295 D CA 1.325 55.606 54.000 0.469 0.000 0.836 295 D CB -0.652 40.475 40.800 0.544 0.000 0.951 295 D HN 0.409 nan 8.370 nan 0.000 0.449 296 W N 1.943 123.293 121.300 0.083 0.000 2.325 296 W HA -0.235 4.425 4.660 -0.001 0.000 0.299 296 W C 2.221 178.612 176.519 -0.214 0.000 1.215 296 W CA 1.422 58.668 57.345 -0.164 0.000 1.244 296 W CB -0.089 29.225 29.460 -0.245 0.000 1.140 296 W HN 0.119 nan 8.180 nan 0.000 0.523 297 Q N 0.338 120.106 119.800 -0.054 0.000 2.020 297 Q HA -0.234 4.105 4.340 -0.001 0.000 0.202 297 Q C 2.434 178.306 176.000 -0.213 0.000 0.982 297 Q CA 2.152 57.858 55.803 -0.161 0.000 0.838 297 Q CB -0.277 28.439 28.738 -0.036 0.000 0.899 297 Q HN 0.219 nan 8.270 nan 0.000 0.423 298 R N 0.360 120.751 120.500 -0.182 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 -0.346 0.000 1.137 298 R CA 1.702 57.604 56.100 -0.330 0.000 0.943 298 R CB -0.798 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 0.811 121.893 121.223 -0.236 0.000 1.971 299 L HA -0.258 4.082 4.340 -0.001 0.000 0.215 299 L C 2.237 178.888 176.870 -0.366 0.000 1.072 299 L CA 1.534 56.233 54.840 -0.236 0.000 0.758 299 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 0.446 120.687 120.570 -0.549 0.000 2.163 300 I HA -0.302 3.867 4.170 -0.001 0.000 0.243 300 I C 1.949 177.939 176.117 -0.211 0.000 1.085 300 I CA 1.526 62.554 61.300 -0.452 0.000 1.347 300 I CB -1.652 35.988 38.000 -0.600 0.000 1.044 300 I HN 0.448 nan 8.210 nan 0.000 0.408 301 N N 1.032 119.599 118.700 -0.222 0.000 2.521 301 N HA -0.058 4.682 4.740 -0.001 0.000 0.188 301 N C 1.070 176.537 175.510 -0.072 0.000 1.146 301 N CA 0.451 53.431 53.050 -0.117 0.000 0.893 301 N CB -0.077 38.331 38.487 -0.132 0.000 0.975 301 N HN 0.469 nan 8.380 nan 0.000 0.451 302 N N -0.281 118.363 118.700 -0.094 0.000 2.266 302 N HA 0.090 4.829 4.740 -0.001 0.000 0.217 302 N C -0.618 174.855 175.510 -0.063 0.000 1.211 302 N CA 0.013 53.001 53.050 -0.105 0.000 0.881 302 N CB 0.786 39.169 38.487 -0.173 0.000 1.153 302 N HN 0.150 nan 8.380 nan 0.000 0.489 303 N N -0.146 118.574 118.700 0.034 0.000 2.342 303 N HA 0.141 4.880 4.740 -0.001 0.000 0.293 303 N C 0.335 176.060 175.510 0.358 0.000 1.026 303 N CA -0.443 52.685 53.050 0.130 0.000 0.857 303 N CB 1.770 40.359 38.487 0.171 0.000 1.256 303 N HN 0.143 nan 8.380 nan 0.000 0.484 304 W N 1.919 123.239 121.300 0.034 0.000 2.321 304 W HA -0.128 4.532 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 0.269 57.632 57.345 0.031 0.000 1.257 304 W CB 0.342 29.732 29.460 -0.117 0.000 1.145 304 W HN 0.591 nan 8.180 nan 0.000 0.509 305 G N -1.860 107.195 108.800 0.425 0.000 2.550 305 G HA2 0.468 4.427 3.960 -0.001 0.000 0.293 305 G HA3 0.468 4.427 3.960 -0.001 0.000 0.293 305 G C -1.822 173.533 174.900 0.759 0.000 1.402 305 G CA -0.658 44.732 45.100 0.483 0.000 0.784 305 G HN 0.088 nan 8.290 nan 0.000 0.482 306 F N -1.309 119.082 119.950 0.736 0.000 2.779 306 F HA 0.945 5.472 4.527 -0.001 0.000 0.316 306 F C -0.759 175.287 175.800 0.411 0.000 1.164 306 F CA -1.367 57.008 58.000 0.625 0.000 0.924 306 F CB 1.652 40.881 39.000 0.383 0.000 1.348 306 F HN 0.928 nan 8.300 nan 0.000 0.467 307 R N -0.351 120.350 120.500 0.335 0.000 2.712 307 R HA 0.689 5.028 4.340 -0.001 0.000 0.272 307 R C -3.635 172.589 176.300 -0.127 0.000 1.032 307 R CA -1.935 54.019 56.100 -0.243 0.000 0.874 307 R CB 1.600 31.419 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 1.004 121.092 120.400 -0.521 0.000 2.537 309 K HA 0.281 4.601 4.320 -0.001 0.000 0.216 309 K C 0.401 177.033 176.600 0.053 0.000 1.349 309 K CA 0.756 56.944 56.287 -0.165 0.000 0.841 309 K CB 0.214 32.620 32.500 -0.158 0.000 1.659 309 K HN 0.349 nan 8.250 nan 0.000 0.435 310 K N 0.293 120.679 120.400 -0.023 0.000 2.331 310 K HA 0.552 4.871 4.320 -0.001 0.000 0.238 310 K C -1.227 175.362 176.600 -0.018 0.000 1.058 310 K CA -0.947 55.301 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 -0.350 120.826 121.223 -0.079 0.000 2.513 311 L HA 0.406 4.746 4.340 -0.001 0.000 0.261 311 L C -1.792 175.035 176.870 -0.073 0.000 0.945 311 L CA 0.007 54.829 54.840 -0.030 0.000 0.848 311 L CB 2.479 44.566 42.059 0.046 0.000 1.334 311 L HN 0.513 nan 8.230 nan 0.000 0.407 312 S N 4.377 120.055 115.700 -0.038 0.000 2.779 312 S HA 0.572 5.042 4.470 -0.001 0.000 0.293 312 S C -1.282 173.353 174.600 0.059 0.000 1.150 312 S CA -0.259 57.919 58.200 -0.037 0.000 1.057 312 S CB 0.736 63.877 63.200 -0.100 0.000 1.021 312 S HN 0.472 nan 8.310 nan 0.000 0.485 313 F N 3.669 123.631 119.950 0.020 0.000 2.436 313 F HA 0.660 5.187 4.527 -0.001 0.000 0.340 313 F C -0.138 175.724 175.800 0.102 0.000 1.113 313 F CA -0.403 57.655 58.000 0.097 0.000 1.022 313 F CB 0.817 39.991 39.000 0.291 0.000 1.128 313 F HN 0.385 nan 8.300 nan 0.000 0.466 314 K N 7.232 127.359 120.400 -0.455 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 55.592 56.287 -0.126 0.000 0.793 314 K CB 1.498 33.977 32.500 -0.035 0.000 1.241 314 K HN 0.763 nan 8.250 nan 0.000 0.431 315 L N 6.055 127.387 121.223 0.181 0.000 2.341 315 L HA 0.682 5.021 4.340 -0.001 0.000 0.278 315 L C -0.761 176.371 176.870 0.438 0.000 1.005 315 L CA -0.825 54.131 54.840 0.193 0.000 0.818 315 L CB 0.938 43.100 42.059 0.171 0.000 1.259 315 L HN 0.705 nan 8.230 nan 0.000 0.418 316 F N -0.510 119.551 119.950 0.185 0.000 2.985 316 F HA 0.399 4.926 4.527 -0.001 0.000 0.322 316 F C 0.058 175.944 175.800 0.142 0.000 1.187 316 F CA -1.441 56.648 58.000 0.148 0.000 0.910 316 F CB 1.084 40.137 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 0.279 0.000 2.716 317 N HA -0.210 4.529 4.740 -0.001 0.000 0.250 317 N C -0.967 174.541 175.510 -0.002 0.000 1.033 317 N CA 0.566 53.688 53.050 0.120 0.000 0.727 317 N CB -1.142 37.407 38.487 0.104 0.000 0.950 317 N HN 0.470 nan 8.380 nan 0.000 0.541 318 I N 1.002 121.614 120.570 0.069 0.000 2.588 318 I HA 0.013 4.183 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 0.482 61.818 61.300 0.059 0.000 1.419 318 I CB 0.670 38.784 38.000 0.189 0.000 1.394 318 I HN 0.143 nan 8.210 nan 0.000 0.562 319 Q N 5.433 125.189 119.800 -0.073 0.000 2.305 319 Q HA 0.510 4.850 4.340 -0.001 0.000 0.271 319 Q C -1.376 174.548 176.000 -0.127 0.000 1.046 319 Q CA -0.770 54.976 55.803 -0.094 0.000 0.798 319 Q CB 3.129 31.790 28.738 -0.128 0.000 1.286 319 Q HN 0.384 nan 8.270 nan 0.000 0.435 320 V N 3.366 123.209 119.914 -0.118 0.000 2.311 320 V HA 0.293 4.412 4.120 -0.001 0.000 0.275 320 V C -0.390 175.554 176.094 -0.251 0.000 1.022 320 V CA -0.706 61.494 62.300 -0.168 0.000 0.830 320 V CB 0.890 32.664 31.823 -0.082 0.000 1.012 320 V HN 0.545 nan 8.190 nan 0.000 0.452 321 K N 4.268 124.370 120.400 -0.496 0.000 2.183 321 K HA 0.496 4.816 4.320 -0.001 0.000 0.274 321 K C -0.118 176.232 176.600 -0.415 0.000 1.009 321 K CA -0.492 55.488 56.287 -0.510 0.000 0.888 321 K CB 2.201 34.260 32.500 -0.735 0.000 1.078 321 K HN 0.861 nan 8.250 nan 0.000 0.459 322 E N 0.521 120.632 120.200 -0.147 0.000 2.166 322 E HA 0.421 4.771 4.350 -0.001 0.000 0.275 322 E C -0.753 175.879 176.600 0.052 0.000 0.941 322 E CA -0.995 55.393 56.400 -0.021 0.000 0.784 322 E CB 1.872 31.571 29.700 -0.002 0.000 1.115 322 E HN 0.122 nan 8.360 nan 0.000 0.399 323 V N 2.760 122.742 119.914 0.114 0.000 2.630 323 V HA 0.751 4.871 4.120 -0.001 0.000 0.305 323 V C -0.909 175.228 176.094 0.071 0.000 1.046 323 V CA -0.016 62.351 62.300 0.111 0.000 0.934 323 V CB 1.926 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 3.064 117.649 114.554 0.052 0.000 2.879 324 T HA 0.587 4.937 4.350 -0.001 0.000 0.290 324 T C -0.947 173.769 174.700 0.028 0.000 0.993 324 T CA -0.733 61.391 62.100 0.039 0.000 0.975 324 T CB 1.574 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 3.132 122.945 119.800 0.022 0.000 2.441 325 Q HA 0.405 4.744 4.340 -0.001 0.000 0.234 325 Q C 0.842 176.849 176.000 0.012 0.000 1.078 325 Q CA -0.507 55.304 55.803 0.014 0.000 0.907 325 Q CB 0.621 29.365 28.738 0.009 0.000 1.269 325 Q HN 0.547 nan 8.270 nan 0.000 0.502 326 N N 1.382 120.089 118.700 0.011 0.000 2.124 326 N HA -0.068 4.671 4.740 -0.001 0.000 0.189 326 N C 0.123 175.637 175.510 0.006 0.000 1.050 326 N CA 1.215 54.270 53.050 0.009 0.000 0.848 326 N CB 0.353 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 -1.369 119.034 120.400 0.004 0.000 3.013 327 D HA 0.206 4.845 4.640 -0.001 0.000 0.256 327 D C 1.021 177.322 176.300 0.001 0.000 1.573 327 D CA 0.612 54.613 54.000 0.002 0.000 1.197 327 D CB -0.372 40.428 40.800 0.002 0.000 1.041 327 D HN 0.276 nan 8.370 nan 0.000 0.304 328 G N -0.095 108.705 108.800 -0.000 0.000 3.969 328 G HA2 0.246 4.205 3.960 -0.001 0.000 0.291 328 G HA3 0.246 4.205 3.960 -0.001 0.000 0.291 328 G C -0.293 174.606 174.900 -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 0.663 115.217 114.554 0.000 0.000 2.881 329 T HA 0.504 4.853 4.350 -0.001 0.000 0.291 329 T C -0.152 174.550 174.700 0.004 0.000 0.990 329 T CA -0.293 61.807 62.100 0.001 0.000 0.976 329 T CB 1.089 69.958 68.868 0.002 0.000 0.970 329 T HN 0.107 nan 8.240 nan 0.000 0.438 330 T N 2.746 117.302 114.554 0.003 0.000 2.723 330 T HA 0.511 4.861 4.350 -0.001 0.000 0.297 330 T C 0.476 175.185 174.700 0.015 0.000 0.925 330 T CA -0.774 61.331 62.100 0.008 0.000 1.030 330 T CB 0.222 69.090 68.868 0.000 0.000 0.905 330 T HN 0.728 nan 8.240 nan 0.000 0.502 331 T N 1.903 116.470 114.554 0.022 0.000 2.795 331 T HA 0.691 5.041 4.350 -0.001 0.000 0.282 331 T C -0.063 174.663 174.700 0.042 0.000 0.980 331 T CA -0.957 61.158 62.100 0.026 0.000 1.012 331 T CB 0.574 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 1.988 122.587 120.570 0.048 0.000 2.433 332 I HA 0.731 4.901 4.170 -0.001 0.000 0.292 332 I C 0.219 176.356 176.117 0.034 0.000 1.001 332 I CA -1.045 60.298 61.300 0.071 0.000 1.119 332 I CB 1.677 39.753 38.000 0.126 0.000 1.289 332 I HN 0.954 nan 8.210 nan 0.000 0.438 333 A N 5.124 127.951 122.820 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 1.387 20.386 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 1.249 39.712 38.487 -0.039 0.000 1.115 334 N HN 0.565 nan 8.380 nan 0.000 0.492 335 N N 3.802 122.471 118.700 -0.052 0.000 2.955 335 N HA 0.200 4.940 4.740 -0.001 0.000 0.242 335 N C 1.049 176.543 175.510 -0.028 0.000 1.123 335 N CA -0.267 52.763 53.050 -0.032 0.000 0.949 335 N CB 0.161 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 0.539 121.751 121.223 -0.018 0.000 2.046 336 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 336 L C 2.001 178.870 176.870 -0.002 0.000 1.077 336 L CA 1.531 56.365 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 -3.965 110.588 114.554 -0.001 0.000 3.227 337 T HA -0.011 4.339 4.350 -0.001 0.000 0.257 337 T C 0.816 175.517 174.700 0.002 0.000 1.162 337 T CA 0.016 62.118 62.100 0.003 0.000 1.051 337 T CB -0.102 68.768 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 0.600 5.070 4.470 -0.001 0.000 0.277 338 S C 0.234 174.836 174.600 0.003 0.000 1.234 338 S CA -0.572 57.624 58.200 -0.006 0.000 1.028 338 S CB 1.069 64.260 63.200 -0.016 0.000 0.988 338 S HN 0.715 nan 8.310 nan 0.000 0.522 339 T N 0.045 114.601 114.554 0.002 0.000 2.926 339 T HA 0.776 5.125 4.350 -0.001 0.000 0.289 339 T C -0.582 174.126 174.700 0.014 0.000 1.054 339 T CA -0.767 61.344 62.100 0.019 0.000 1.015 339 T CB 1.347 70.229 68.868 0.023 0.000 1.167 339 T HN 0.562 nan 8.240 nan 0.000 0.526 340 V N 0.190 120.127 119.914 0.039 0.000 3.040 340 V HA 0.593 4.713 4.120 -0.001 0.000 0.312 340 V C -1.647 174.471 176.094 0.039 0.000 1.115 340 V CA -0.829 61.488 62.300 0.027 0.000 0.998 340 V CB 2.266 34.135 31.823 0.076 0.000 1.042 340 V HN 1.059 nan 8.190 nan 0.000 0.433 341 Q N 3.227 123.034 119.800 0.013 0.000 2.330 341 Q HA 0.736 5.075 4.340 -0.001 0.000 0.269 341 Q C -1.567 174.566 176.000 0.222 0.000 1.022 341 Q CA -0.643 55.231 55.803 0.119 0.000 0.796 341 Q CB 2.537 31.358 28.738 0.139 0.000 1.271 341 Q HN 0.564 nan 8.270 nan 0.000 0.450 342 V N 2.988 122.998 119.914 0.159 0.000 2.823 342 V HA 0.756 4.876 4.120 -0.001 0.000 0.312 342 V C -0.772 175.351 176.094 0.047 0.000 1.072 342 V CA -0.900 61.367 62.300 -0.055 0.000 0.937 342 V CB 1.401 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 0.311 120.097 119.950 -0.274 0.000 2.703 343 F HA 0.728 5.254 4.527 -0.001 0.000 0.308 343 F C -0.903 174.683 175.800 -0.356 0.000 1.126 343 F CA -0.628 57.231 58.000 -0.234 0.000 0.959 343 F CB 1.851 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 1.503 115.901 114.554 -0.260 0.000 2.786 344 T HA 0.275 4.625 4.350 -0.001 0.000 0.283 344 T C -1.158 173.336 174.700 -0.343 0.000 0.992 344 T CA -0.383 61.403 62.100 -0.523 0.000 0.954 344 T CB 0.582 69.020 68.868 -0.718 0.000 0.934 344 T HN 0.824 nan 8.240 nan 0.000 0.440 345 D N 3.598 123.711 120.400 -0.479 0.000 2.441 345 D HA 0.221 4.861 4.640 -0.001 0.000 0.243 345 D C 0.821 176.868 176.300 -0.422 0.000 1.257 345 D CA 0.104 53.901 54.000 -0.339 0.000 1.027 345 D CB 0.118 40.675 40.800 -0.405 0.000 1.084 345 D HN 0.450 nan 8.370 nan 0.000 0.514 346 S N 2.296 117.806 115.700 -0.317 0.000 2.503 346 S HA 0.002 4.471 4.470 -0.001 0.000 0.215 346 S C 1.322 175.681 174.600 -0.402 0.000 1.003 346 S CA -0.077 57.885 58.200 -0.396 0.000 0.910 346 S CB 0.209 63.338 63.200 -0.118 0.000 0.790 346 S HN 0.544 nan 8.310 nan 0.000 0.514 347 E N 0.458 120.547 120.200 -0.185 0.000 2.489 347 E HA 0.084 4.434 4.350 -0.001 0.000 0.193 347 E C -0.813 175.838 176.600 0.085 0.000 1.057 347 E CA -0.192 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 0.544 nan 8.360 nan 0.000 0.500 348 Y N 0.389 120.706 120.300 0.029 0.000 3.078 348 Y HA -0.302 4.247 4.550 -0.001 0.000 0.202 348 Y C 1.058 176.946 175.900 -0.020 0.000 1.322 348 Y CA 0.325 58.427 58.100 0.004 0.000 1.118 348 Y CB -2.263 36.200 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 4.604 4.340 -0.001 0.000 0.216 349 Q C 0.363 176.245 176.000 -0.196 0.000 0.892 349 Q CA 0.092 55.909 55.803 0.023 0.000 0.931 349 Q CB 0.697 29.524 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 -0.250 0.000 2.312 350 L HA 0.354 4.694 4.340 -0.001 0.000 0.281 350 L C -2.208 174.520 176.870 -0.237 0.000 1.070 350 L CA -2.318 52.246 54.840 -0.461 0.000 0.805 350 L CB 0.889 42.614 42.059 -0.558 0.000 1.174 350 L HN -0.168 nan 8.230 nan 0.000 0.434 351 P HA -0.141 nan 4.420 nan 0.000 0.258 351 P C -1.039 176.318 177.300 0.095 0.000 1.172 351 P CA 0.232 63.336 63.100 0.006 0.000 0.762 351 P CB -0.022 31.717 31.700 0.065 0.000 0.764 352 Y N 3.960 124.269 120.300 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 0.021 0.000 1.306 352 Y CB 0.452 38.945 38.460 0.055 0.000 1.149 352 Y HN 0.155 nan 8.280 nan 0.000 0.527 353 V N 6.996 126.744 119.914 -0.276 0.000 3.621 353 V HA 0.157 4.277 4.120 -0.001 0.000 0.285 353 V C 0.457 176.361 176.094 -0.317 0.000 1.346 353 V CA 0.220 62.364 62.300 -0.260 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 0.118 121.033 121.223 -0.513 0.000 2.468 354 L HA 0.568 4.908 4.340 -0.001 0.000 0.254 354 L C 1.459 178.284 176.870 -0.075 0.000 1.171 354 L CA 0.514 55.137 54.840 -0.361 0.000 0.809 354 L CB 0.223 41.968 42.059 -0.524 0.000 1.155 354 L HN 0.305 nan 8.230 nan 0.000 0.473 355 G N 0.508 109.241 108.800 -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 0.383 175.290 174.900 0.013 0.000 1.042 355 G CA 0.373 45.433 45.100 -0.067 0.000 0.791 355 G HN 0.538 nan 8.290 nan 0.000 0.502 356 S N -0.551 115.171 115.700 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 1.027 59.239 58.200 0.020 0.000 1.038 356 S CB 0.676 63.967 63.200 0.151 0.000 0.960 356 S HN 2.188 nan 8.310 nan 0.000 0.548 357 A N 1.511 124.290 122.820 -0.067 0.000 2.861 357 A HA -0.214 4.106 4.320 -0.001 0.000 0.261 357 A C 0.331 177.862 177.584 -0.089 0.000 1.351 357 A CA 0.881 52.877 52.037 -0.068 0.000 0.904 357 A CB -2.281 16.672 19.000 -0.077 0.000 1.076 357 A HN 0.674 nan 8.150 nan 0.000 0.729 358 H N 0.097 119.162 119.070 -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 0.858 56.914 56.048 0.014 0.000 1.435 358 H CB 0.363 30.140 29.762 0.024 0.000 1.461 358 H HN 0.741 nan 8.280 nan 0.000 0.616 359 Q N -0.873 119.038 119.800 0.186 0.000 2.180 359 Q HA 0.415 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 -0.293 55.584 55.803 0.123 0.000 0.919 359 Q CB 1.684 30.483 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 -0.371 44.749 45.100 0.035 0.000 0.672 360 G HN 0.608 nan 8.290 nan 0.000 0.507 361 C N 0.264 119.544 119.300 -0.033 0.000 2.827 361 C HA 0.558 5.018 4.460 -0.001 0.000 0.287 361 C C 1.609 176.423 174.990 -0.294 0.000 1.497 361 C CA -0.344 58.617 59.018 -0.095 0.000 2.161 361 C CB -0.328 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 2.147 123.219 121.223 -0.252 0.000 2.380 362 L HA 0.260 4.600 4.340 -0.001 0.000 0.273 362 L C -2.116 174.719 176.870 -0.057 0.000 1.138 362 L CA -1.240 53.394 54.840 -0.344 0.000 0.832 362 L CB 0.030 41.989 42.059 -0.165 0.000 1.124 362 L HN 0.391 nan 8.230 nan 0.000 0.454 363 P HA 0.038 nan 4.420 nan 0.000 0.265 363 P C -2.062 175.337 177.300 0.165 0.000 1.193 363 P CA -0.902 62.285 63.100 0.145 0.000 0.765 363 P CB 0.209 32.028 31.700 0.198 0.000 0.823 364 P HA -0.140 nan 4.420 nan 0.000 0.215 364 P C 0.258 177.538 177.300 -0.032 0.000 1.157 364 P CA 1.161 64.324 63.100 0.105 0.000 0.868 364 P CB -0.047 31.590 31.700 -0.106 0.000 0.788 365 F N 0.110 119.864 119.950 -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 54.893 58.000 -0.407 0.000 1.162 365 F CB 0.784 39.475 39.000 -0.515 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 0.216 366 P C 1.025 178.292 177.300 -0.055 0.000 1.150 366 P CA 1.927 64.922 63.100 -0.175 0.000 0.837 366 P CB 0.061 31.651 31.700 -0.183 0.000 0.786 367 A N -1.140 121.488 122.820 -0.319 0.000 2.119 367 A HA -0.058 4.262 4.320 -0.001 0.000 0.217 367 A C 0.758 178.447 177.584 0.175 0.000 1.153 367 A CA 0.772 52.798 52.037 -0.018 0.000 0.692 367 A CB -1.014 18.034 19.000 0.079 0.000 0.799 367 A HN 0.111 nan 8.150 nan 0.000 0.458 368 D N -0.416 120.136 120.400 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 0.165 54.322 54.000 0.261 0.000 0.894 368 D CB 1.393 42.363 40.800 0.283 0.000 1.203 368 D HN -0.015 nan 8.370 nan 0.000 0.430 369 V N 2.515 122.560 119.914 0.220 0.000 2.612 369 V HA 0.560 4.680 4.120 -0.001 0.000 0.301 369 V C -0.130 176.127 176.094 0.271 0.000 1.046 369 V CA -0.744 61.681 62.300 0.208 0.000 0.946 369 V CB 0.955 32.827 31.823 0.083 0.000 1.003 369 V HN 0.446 nan 8.190 nan 0.000 0.459 370 F N 1.928 121.963 119.950 0.141 0.000 2.593 370 F HA 0.787 5.313 4.527 -0.001 0.000 0.320 370 F C -0.528 175.351 175.800 0.132 0.000 1.060 370 F CA -1.331 56.749 58.000 0.132 0.000 0.940 370 F CB 1.988 41.078 39.000 0.149 0.000 1.268 370 F HN 0.475 nan 8.300 nan 0.000 0.475 371 M N 3.552 123.250 119.600 0.163 0.000 2.209 371 M HA 0.506 4.986 4.480 -0.001 0.000 0.355 371 M C -1.336 175.048 176.300 0.139 0.000 1.171 371 M CA -0.849 54.483 55.300 0.054 0.000 1.069 371 M CB 1.458 34.102 32.600 0.074 0.000 1.622 371 M HN 0.620 nan 8.290 nan 0.000 0.459 372 V N 8.281 128.195 119.914 0.000 0.000 2.439 372 V HA 0.192 4.311 4.120 -0.001 0.000 0.271 372 V C -1.995 174.025 176.094 -0.122 0.000 1.040 372 V CA -1.157 61.086 62.300 -0.096 0.000 1.002 372 V CB 0.146 31.760 31.823 -0.348 0.000 1.000 372 V HN 0.762 nan 8.190 nan 0.000 0.477 373 P HA 0.066 nan 4.420 nan 0.000 0.271 373 P C -0.566 176.336 177.300 -0.662 0.000 1.238 373 P CA -0.164 62.651 63.100 -0.476 0.000 0.794 373 P CB 0.482 31.713 31.700 -0.783 0.000 0.959 374 Q N 0.222 119.638 119.800 -0.639 0.000 2.266 374 Q HA 0.286 4.626 4.340 -0.001 0.000 0.261 374 Q C -1.408 174.597 176.000 0.009 0.000 0.985 374 Q CA -0.828 54.551 55.803 -0.707 0.000 0.873 374 Q CB 0.681 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 1.360 121.670 120.300 0.017 0.000 2.336 375 Y HA 0.553 5.103 4.550 -0.001 0.000 0.335 375 Y C -0.291 175.650 175.900 0.069 0.000 1.046 375 Y CA 0.254 58.405 58.100 0.086 0.000 1.198 375 Y CB 1.151 39.663 38.460 0.087 0.000 1.182 375 Y HN 0.625 nan 8.280 nan 0.000 0.502 376 G N 5.811 114.310 108.800 -0.500 0.000 2.731 376 G HA2 0.491 4.451 3.960 -0.001 0.000 0.298 376 G HA3 0.491 4.451 3.960 -0.001 0.000 0.298 376 G C -2.243 172.405 174.900 -0.419 0.000 1.424 376 G CA -0.802 44.091 45.100 -0.344 0.000 1.029 376 G HN 0.741 nan 8.290 nan 0.000 0.518 377 Y N -0.109 120.007 120.300 -0.306 0.000 2.605 377 Y HA 0.839 5.389 4.550 -0.001 0.000 0.343 377 Y C -0.923 175.003 175.900 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 -0.097 0.000 1.288 377 Y HN 0.459 nan 8.280 nan 0.000 0.481 378 L N 1.395 122.736 121.223 0.196 0.000 2.304 378 L HA 0.838 5.177 4.340 -0.001 0.000 0.268 378 L C -0.441 176.622 176.870 0.323 0.000 1.010 378 L CA -0.744 54.208 54.840 0.186 0.000 0.813 378 L CB 2.480 44.642 42.059 0.173 0.000 1.315 378 L HN 0.938 nan 8.230 nan 0.000 0.445 379 T N 0.006 114.744 114.554 0.307 0.000 2.812 379 T HA 0.356 4.706 4.350 -0.001 0.000 0.294 379 T C -1.044 173.822 174.700 0.277 0.000 1.159 379 T CA -0.714 61.590 62.100 0.340 0.000 1.008 379 T CB 1.602 70.723 68.868 0.422 0.000 1.289 379 T HN 0.222 nan 8.240 nan 0.000 0.514 380 L N 3.325 124.686 121.223 0.229 0.000 2.540 380 L HA 0.353 4.693 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 0.387 55.325 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 1.698 120.461 118.700 0.105 0.000 2.329 381 N HA 0.336 5.075 4.740 -0.001 0.000 0.282 381 N C -1.271 174.242 175.510 0.005 0.000 1.198 381 N CA -0.802 52.274 53.050 0.043 0.000 0.790 381 N CB 0.952 39.509 38.487 0.117 0.000 1.579 381 N HN 0.422 nan 8.380 nan 0.000 0.475 382 N N 0.833 119.494 118.700 -0.065 0.000 3.044 382 N HA 0.392 5.132 4.740 -0.001 0.000 0.254 382 N C 0.553 175.985 175.510 -0.132 0.000 1.253 382 N CA 0.875 53.882 53.050 -0.072 0.000 0.944 382 N CB -0.229 38.211 38.487 -0.079 0.000 1.217 382 N HN 1.025 nan 8.380 nan 0.000 0.498 383 G N 1.830 110.544 108.800 -0.144 0.000 2.527 383 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.262 383 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.262 383 G C 0.828 175.508 174.900 -0.366 0.000 1.153 383 G CA 0.497 45.359 45.100 -0.396 0.000 0.954 383 G HN 0.718 nan 8.290 nan 0.000 0.552 384 S N 0.386 115.836 115.700 -0.417 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 -0.129 0.000 0.996 384 S CA 1.461 59.583 58.200 -0.130 0.000 0.927 384 S CB 0.163 63.329 63.200 -0.056 0.000 0.774 384 S HN 0.769 nan 8.310 nan 0.000 0.524 385 Q N 0.491 120.170 119.800 -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 1.325 29.931 28.738 -0.220 0.000 1.176 385 Q HN 0.472 nan 8.270 nan 0.000 0.510 386 A N 0.305 122.766 122.820 -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 -0.283 0.000 1.132 386 A CA -0.619 51.078 52.037 -0.567 0.000 0.811 386 A CB 1.073 19.415 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 -0.153 0.000 3.109 387 V HA 0.495 4.614 4.120 -0.001 0.000 0.317 387 V C 1.751 177.812 176.094 -0.054 0.000 1.074 387 V CA 0.299 62.551 62.300 -0.080 0.000 1.033 387 V CB 1.316 33.122 31.823 -0.028 0.000 1.111 387 V HN 1.163 nan 8.190 nan 0.000 0.458 388 G N 0.321 109.101 108.800 -0.033 0.000 2.509 388 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.218 388 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.218 388 G C 1.261 176.168 174.900 0.011 0.000 1.124 388 G CA 0.163 45.255 45.100 -0.014 0.000 0.776 388 G HN 0.653 nan 8.290 nan 0.000 0.547 389 R N 0.513 121.025 120.500 0.020 0.000 2.310 389 R HA 0.188 4.528 4.340 -0.001 0.000 0.202 389 R C 0.593 176.932 176.300 0.066 0.000 0.933 389 R CA -0.178 55.947 56.100 0.041 0.000 1.054 389 R CB 0.165 30.491 30.300 0.044 0.000 0.985 389 R HN 0.181 nan 8.270 nan 0.000 0.489 390 S N 0.389 116.134 115.700 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 1.290 64.595 63.200 0.175 0.000 0.909 390 S HN 0.048 nan 8.310 nan 0.000 0.555 391 S N 1.207 116.984 115.700 0.129 0.000 2.532 391 S HA 0.538 5.008 4.470 -0.001 0.000 0.299 391 S C -1.179 173.323 174.600 -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 63.931 63.200 -0.231 0.000 1.021 391 S HN 0.527 nan 8.310 nan 0.000 0.483 392 F N 3.883 123.570 119.950 -0.440 0.000 2.427 392 F HA 0.620 5.146 4.527 -0.001 0.000 0.346 392 F C -1.537 173.940 175.800 -0.538 0.000 1.120 392 F CA -1.254 56.461 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 5.223 125.186 120.300 -0.562 0.000 2.341 393 Y HA 0.457 5.007 4.550 -0.001 0.000 0.338 393 Y C -0.284 175.141 175.900 -0.792 0.000 0.965 393 Y CA -0.953 56.798 58.100 -0.581 0.000 1.108 393 Y CB 1.671 39.876 38.460 -0.426 0.000 1.180 393 Y HN 0.721 nan 8.280 nan 0.000 0.458 394 C N 5.958 124.955 119.300 -0.504 0.000 2.281 394 C HA 0.406 4.866 4.460 -0.001 0.000 0.323 394 C C 0.824 175.824 174.990 0.016 0.000 1.270 394 C CA -0.731 58.003 59.018 -0.473 0.000 1.559 394 C CB -0.974 26.465 27.740 -0.502 0.000 2.239 394 C HN 0.976 nan 8.230 nan 0.000 0.488 395 L N 4.388 125.688 121.223 0.129 0.000 2.622 395 L HA 0.096 4.436 4.340 -0.001 0.000 0.233 395 L C 2.230 179.137 176.870 0.062 0.000 1.156 395 L CA 1.300 56.099 54.840 -0.068 0.000 0.866 395 L CB -0.467 41.179 42.059 -0.690 0.000 0.980 395 L HN 0.688 nan 8.230 nan 0.000 0.448 396 E N -1.642 118.748 120.200 0.316 0.000 2.371 396 E HA -0.134 4.216 4.350 -0.001 0.000 0.194 396 E C 1.347 178.042 176.600 0.159 0.000 1.012 396 E CA 0.517 57.108 56.400 0.318 0.000 0.860 396 E CB -0.089 29.828 29.700 0.362 0.000 0.811 396 E HN 0.548 nan 8.360 nan 0.000 0.502 397 Y N -0.075 120.217 120.300 -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 -0.136 57.870 58.100 -0.157 0.000 1.282 397 Y CB -0.033 38.308 38.460 -0.199 0.000 1.071 397 Y HN -0.229 nan 8.280 nan 0.000 0.510 398 F N 1.334 121.029 119.950 -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 -3.116 54.475 58.000 -0.682 0.000 1.022 398 F CB 0.754 38.958 39.000 -1.327 0.000 1.128 398 F HN -0.070 nan 8.300 nan 0.000 0.466 399 P HA 0.123 nan 4.420 nan 0.000 0.262 399 P C -0.975 176.248 177.300 -0.128 0.000 1.199 399 P CA -0.001 62.990 63.100 -0.182 0.000 0.763 399 P CB 0.537 32.157 31.700 -0.134 0.000 0.790 400 S N 1.835 117.524 115.700 -0.018 0.000 2.548 400 S HA 0.397 4.867 4.470 -0.001 0.000 0.286 400 S C -0.812 173.885 174.600 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 1.963 121.889 119.800 0.211 0.000 2.279 401 Q HA 0.413 4.753 4.340 -0.001 0.000 0.256 401 Q C -1.004 175.099 176.000 0.172 0.000 0.937 401 Q CA -0.268 55.654 55.803 0.197 0.000 0.933 401 Q CB 0.583 29.492 28.738 0.286 0.000 1.189 401 Q HN 0.748 nan 8.270 nan 0.000 0.417 402 M N 4.300 123.979 119.600 0.133 0.000 2.209 402 M HA 0.339 4.819 4.480 -0.001 0.000 0.355 402 M C -1.180 175.184 176.300 0.108 0.000 1.171 402 M CA -0.678 54.686 55.300 0.107 0.000 1.069 402 M CB 0.982 33.628 32.600 0.076 0.000 1.622 402 M HN 0.445 nan 8.290 nan 0.000 0.459 403 L N 2.652 123.939 121.223 0.106 0.000 2.362 403 L HA 0.604 4.944 4.340 -0.001 0.000 0.275 403 L C -0.177 176.747 176.870 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 43.912 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 0.651 4.990 4.340 -0.001 0.000 0.249 404 R C -0.525 175.816 176.300 0.069 0.000 1.127 404 R CA -0.538 55.598 56.100 0.060 0.000 1.133 404 R CB 1.020 31.347 30.300 0.046 0.000 1.243 404 R HN 0.639 nan 8.270 nan 0.000 0.558 405 T N 0.814 115.399 114.554 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 0.950 63.081 62.100 0.051 0.000 1.161 405 T CB 0.521 69.404 68.868 0.026 0.000 0.885 405 T HN 0.785 nan 8.240 nan 0.000 0.534 406 G N 3.554 112.401 108.800 0.079 0.000 2.211 406 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.201 406 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.201 406 G C 0.018 174.974 174.900 0.094 0.000 0.997 406 G CA -0.794 44.353 45.100 0.079 0.000 0.652 406 G HN 0.601 nan 8.290 nan 0.000 0.500 407 N N 1.654 120.420 118.700 0.109 0.000 2.508 407 N HA 0.598 5.338 4.740 -0.001 0.000 0.285 407 N C -0.135 175.480 175.510 0.175 0.000 1.144 407 N CA -0.121 53.005 53.050 0.127 0.000 0.978 407 N CB 1.161 39.723 38.487 0.125 0.000 1.180 407 N HN 0.682 nan 8.380 nan 0.000 0.484 408 N N -0.343 118.468 118.700 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 0.284 0.000 1.291 408 N CA -0.583 52.614 53.050 0.245 0.000 0.780 408 N CB 1.327 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 -0.015 120.029 119.950 0.156 0.000 2.520 409 F HA 0.532 5.059 4.527 -0.000 0.000 0.322 409 F C -0.690 175.210 175.800 0.167 0.000 1.103 409 F CA -0.454 57.640 58.000 0.157 0.000 0.926 409 F CB 2.032 41.137 39.000 0.176 0.000 1.154 409 F HN 0.569 nan 8.300 nan 0.000 0.453 410 Q N 5.107 124.537 119.800 -0.615 0.000 2.375 410 Q HA 0.613 4.952 4.340 -0.001 0.000 0.271 410 Q C -2.097 173.674 176.000 -0.382 0.000 1.074 410 Q CA -0.609 54.992 55.803 -0.336 0.000 0.808 410 Q CB 2.169 30.790 28.738 -0.194 0.000 1.327 410 Q HN 0.679 nan 8.270 nan 0.000 0.441 411 F N 1.046 120.865 119.950 -0.218 0.000 2.622 411 F HA 0.599 5.126 4.527 -0.001 0.000 0.318 411 F C -1.529 174.261 175.800 -0.016 0.000 1.135 411 F CA -0.251 57.679 58.000 -0.116 0.000 1.015 411 F CB 1.681 40.684 39.000 0.006 0.000 1.275 411 F HN 0.484 nan 8.300 nan 0.000 0.457 412 S N 5.175 120.368 115.700 -0.845 0.000 2.500 412 S HA 0.560 5.030 4.470 -0.001 0.000 0.301 412 S C -1.893 172.186 174.600 -0.868 0.000 1.092 412 S CA -0.555 57.245 58.200 -0.668 0.000 1.030 412 S CB 1.665 64.642 63.200 -0.371 0.000 1.031 412 S HN 0.623 nan 8.310 nan 0.000 0.483 413 Y N 1.356 121.228 120.300 -0.714 0.000 2.545 413 Y HA 0.639 5.189 4.550 -0.001 0.000 0.348 413 Y C -0.957 174.675 175.900 -0.446 0.000 1.002 413 Y CA -0.469 57.278 58.100 -0.589 0.000 1.039 413 Y CB 1.803 39.959 38.460 -0.507 0.000 1.271 413 Y HN 0.522 nan 8.280 nan 0.000 0.467 414 T N 6.312 120.091 114.554 -1.292 0.000 2.864 414 T HA 0.380 4.729 4.350 -0.001 0.000 0.299 414 T C -0.878 173.108 174.700 -1.190 0.000 1.011 414 T CA -0.431 61.098 62.100 -0.951 0.000 0.975 414 T CB -0.086 68.473 68.868 -0.515 0.000 0.962 414 T HN 0.453 nan 8.240 nan 0.000 0.448 415 F N 2.972 122.469 119.950 -0.756 0.000 2.595 415 F HA 0.138 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 -0.200 57.543 58.000 -0.429 0.000 1.341 415 F CB 0.603 39.437 39.000 -0.278 0.000 1.104 415 F HN 0.563 nan 8.300 nan 0.000 0.603 416 E N 0.652 120.863 120.200 0.018 0.000 2.622 416 E HA 0.175 4.524 4.350 -0.001 0.000 0.255 416 E C -1.185 175.396 176.600 -0.031 0.000 1.313 416 E CA -0.979 55.411 56.400 -0.017 0.000 1.011 416 E CB 0.345 30.066 29.700 0.035 0.000 1.173 416 E HN 0.356 nan 8.360 nan 0.000 0.601 417 D N 0.475 120.853 120.400 -0.038 0.000 2.358 417 D HA 0.225 4.865 4.640 -0.001 0.000 0.258 417 D C -1.137 175.134 176.300 -0.049 0.000 1.223 417 D CA 0.123 54.090 54.000 -0.055 0.000 0.886 417 D CB 1.192 41.974 40.800 -0.032 0.000 1.120 417 D HN 0.230 nan 8.370 nan 0.000 0.482 418 V N 4.565 124.420 119.914 -0.099 0.000 2.668 418 V HA 0.397 4.517 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 -2.219 60.051 62.300 -0.050 0.000 0.894 418 V CB 2.154 33.960 31.823 -0.029 0.000 1.008 418 V HN 0.341 nan 8.190 nan 0.000 0.425 419 P HA 0.077 nan 4.420 nan 0.000 0.263 419 P C -0.437 176.994 177.300 0.219 0.000 1.175 419 P CA 0.397 63.580 63.100 0.137 0.000 0.761 419 P CB 0.007 31.791 31.700 0.138 0.000 0.794 420 F N 1.344 121.386 119.950 0.153 0.000 2.628 420 F HA -0.016 4.511 4.527 -0.001 0.000 0.362 420 F C 1.751 177.666 175.800 0.191 0.000 1.148 420 F CA 0.656 58.766 58.000 0.183 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 0.647 119.822 119.070 0.175 0.000 2.607 421 H HA 0.259 4.815 4.556 -0.001 0.000 0.367 421 H C -0.382 174.951 175.328 0.008 0.000 1.181 421 H CA -0.554 55.442 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 2.754 117.843 115.700 -1.019 0.000 2.681 422 S HA 0.065 4.535 4.470 -0.001 0.000 0.313 422 S C 0.199 174.380 174.600 -0.697 0.000 1.137 422 S CA -0.368 57.348 58.200 -0.807 0.000 1.045 422 S CB 0.054 62.634 63.200 -1.034 0.000 1.208 422 S HN 0.596 nan 8.310 nan 0.000 0.523 423 S N 2.740 118.378 115.700 -0.104 0.000 2.763 423 S HA 0.202 4.672 4.470 -0.001 0.000 0.237 423 S C -0.067 174.591 174.600 0.097 0.000 0.966 423 S CA -0.445 57.812 58.200 0.095 0.000 1.017 423 S CB -0.591 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 -1.584 118.598 120.300 -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 -1.943 55.966 58.100 -0.317 0.000 1.068 424 Y CB 0.780 38.835 38.460 -0.674 0.000 1.294 424 Y HN -0.066 nan 8.280 nan 0.000 0.480 425 A N 1.255 123.942 122.820 -0.222 0.000 2.422 425 A HA 0.523 4.843 4.320 -0.001 0.000 0.302 425 A C -1.542 175.928 177.584 -0.190 0.000 1.041 425 A CA -0.909 50.958 52.037 -0.283 0.000 0.708 425 A CB 0.706 19.616 19.000 -0.149 0.000 1.257 425 A HN 0.862 nan 8.150 nan 0.000 0.414 426 H N 1.986 121.053 119.070 -0.005 0.000 2.803 426 H HA 0.127 4.682 4.556 -0.001 0.000 0.330 426 H C 1.250 176.574 175.328 -0.008 0.000 1.057 426 H CA 0.922 56.971 56.048 0.002 0.000 1.458 426 H CB 1.185 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 2.029 117.791 115.700 0.103 0.000 2.528 427 S HA 0.027 4.497 4.470 -0.001 0.000 0.219 427 S C 0.677 175.314 174.600 0.062 0.000 0.985 427 S CA -0.094 58.148 58.200 0.069 0.000 0.914 427 S CB 0.559 63.795 63.200 0.060 0.000 0.776 427 S HN 0.571 nan 8.310 nan 0.000 0.526 428 Q N 0.659 120.500 119.800 0.068 0.000 2.252 428 Q HA 0.656 4.996 4.340 -0.001 0.000 0.256 428 Q C -0.856 175.152 176.000 0.014 0.000 1.020 428 Q CA -0.628 55.193 55.803 0.031 0.000 0.913 428 Q CB 1.854 30.599 28.738 0.011 0.000 1.286 428 Q HN 0.305 nan 8.270 nan 0.000 0.480 429 S N -0.465 115.231 115.700 -0.007 0.000 2.638 429 S HA 0.380 4.850 4.470 -0.001 0.000 0.302 429 S C 0.716 175.297 174.600 -0.032 0.000 1.096 429 S CA -0.610 57.578 58.200 -0.021 0.000 0.953 429 S CB 0.893 64.088 63.200 -0.009 0.000 1.107 429 S HN 0.695 nan 8.310 nan 0.000 0.503 430 L N 1.453 122.655 121.223 -0.034 0.000 2.017 430 L HA -0.077 4.263 4.340 -0.001 0.000 0.208 430 L C 2.018 178.900 176.870 0.020 0.000 1.073 430 L CA 1.888 56.724 54.840 -0.007 0.000 0.745 430 L CB -0.342 41.721 42.059 0.007 0.000 0.894 430 L HN 0.826 nan 8.230 nan 0.000 0.432 431 D N -1.169 119.231 120.400 -0.000 0.000 2.289 431 D HA -0.123 4.517 4.640 -0.001 0.000 0.207 431 D C 0.949 177.242 176.300 -0.012 0.000 0.966 431 D CA 0.383 54.378 54.000 -0.009 0.000 0.868 431 D CB -0.066 40.718 40.800 -0.027 0.000 0.943 431 D HN 0.167 nan 8.370 nan 0.000 0.514 432 R N 0.979 121.474 120.500 -0.009 0.000 3.863 432 R HA 0.229 4.569 4.340 -0.001 0.000 0.304 432 R C 0.731 177.030 176.300 -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 0.410 121.637 121.223 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 0.763 55.613 54.840 0.016 0.000 0.867 433 L CB 0.156 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 -0.720 118.881 119.600 0.002 0.000 1.801 434 M HA 0.216 4.695 4.480 -0.001 0.000 0.198 434 M C 0.444 176.738 176.300 -0.010 0.000 1.248 434 M CA -0.056 55.239 55.300 -0.009 0.000 0.893 434 M CB -0.816 31.765 32.600 -0.032 0.000 1.199 434 M HN -0.135 nan 8.290 nan 0.000 0.482 435 N N 0.477 119.167 118.700 -0.017 0.000 2.422 435 N HA 0.348 5.088 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 -1.680 51.363 53.050 -0.012 0.000 0.941 435 N CB 1.054 39.536 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 0.552 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 1.084 177.952 176.870 -0.004 0.000 1.070 437 L CA 0.756 55.594 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 -0.412 120.154 120.570 -0.007 0.000 2.577 438 I HA 0.282 4.452 4.170 -0.001 0.000 0.305 438 I C -0.513 175.592 176.117 -0.020 0.000 0.986 438 I CA -0.832 60.465 61.300 -0.006 0.000 1.189 438 I CB 1.009 39.010 38.000 0.001 0.000 1.355 438 I HN -0.019 nan 8.210 nan 0.000 0.476 439 D N 2.937 123.326 120.400 -0.018 0.000 2.253 439 D HA 0.359 4.999 4.640 -0.001 0.000 0.249 439 D C 0.059 176.318 176.300 -0.068 0.000 1.049 439 D CA -0.404 53.573 54.000 -0.039 0.000 0.929 439 D CB 0.771 41.553 40.800 -0.030 0.000 1.176 439 D HN 0.338 nan 8.370 nan 0.000 0.437 440 Q N 0.248 119.976 119.800 -0.120 0.000 2.417 440 Q HA 0.137 4.477 4.340 -0.001 0.000 0.241 440 Q C 0.174 176.065 176.000 -0.181 0.000 1.008 440 Q CA -0.236 55.431 55.803 -0.225 0.000 0.901 440 Q CB 0.637 29.226 28.738 -0.248 0.000 1.259 440 Q HN 0.676 nan 8.270 nan 0.000 0.489 441 Y N -0.843 119.423 120.300 -0.057 0.000 2.457 441 Y HA 0.367 4.917 4.550 -0.001 0.000 0.263 441 Y C -0.062 175.819 175.900 -0.031 0.000 1.164 441 Y CA -0.494 57.580 58.100 -0.043 0.000 1.274 441 Y CB 0.295 38.761 38.460 0.010 0.000 1.097 441 Y HN 0.248 nan 8.280 nan 0.000 0.523 442 L N 0.907 122.096 121.223 -0.056 0.000 2.399 442 L HA 0.370 4.710 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 -0.944 53.934 54.840 0.063 0.000 0.802 442 L CB 0.934 42.983 42.059 -0.017 0.000 1.180 442 L HN 0.095 nan 8.230 nan 0.000 0.454 443 Y N 0.507 120.868 120.300 0.101 0.000 2.429 443 Y HA 0.461 5.010 4.550 -0.001 0.000 0.342 443 Y C -0.413 175.594 175.900 0.178 0.000 1.004 443 Y CA -0.574 57.582 58.100 0.093 0.000 1.075 443 Y CB 1.790 40.237 38.460 -0.021 0.000 1.214 443 Y HN 0.383 nan 8.280 nan 0.000 0.455 444 Y N 0.381 120.828 120.300 0.246 0.000 2.605 444 Y HA 0.735 5.284 4.550 -0.001 0.000 0.343 444 Y C -1.702 174.401 175.900 0.338 0.000 1.036 444 Y CA -1.752 56.482 58.100 0.224 0.000 1.065 444 Y CB 1.163 39.685 38.460 0.103 0.000 1.288 444 Y HN 0.545 nan 8.280 nan 0.000 0.481 445 L N 2.886 124.317 121.223 0.347 0.000 2.276 445 L HA 0.404 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 54.740 54.840 0.109 0.000 0.807 445 L CB 0.883 42.980 42.059 0.063 0.000 1.177 445 L HN 1.070 nan 8.230 nan 0.000 0.429 446 N N 2.184 120.852 118.700 -0.054 0.000 2.145 446 N HA 0.173 4.913 4.740 -0.001 0.000 0.219 446 N C -0.488 175.007 175.510 -0.025 0.000 1.266 446 N CA -0.648 52.431 53.050 0.048 0.000 0.902 446 N CB 0.641 39.203 38.487 0.123 0.000 1.078 446 N HN 0.312 nan 8.380 nan 0.000 0.513 447 R N 0.966 121.400 120.500 -0.111 0.000 2.502 447 R HA 0.263 4.603 4.340 -0.001 0.000 0.300 447 R C -0.004 176.208 176.300 -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 0.485 62.527 62.100 -0.096 0.000 1.107 448 T CB 0.405 69.237 68.868 -0.060 0.000 0.932 448 T HN 0.586 nan 8.240 nan 0.000 0.474 449 Q N 0.970 120.734 119.800 -0.059 0.000 2.534 449 Q HA 0.371 4.711 4.340 -0.001 0.000 0.207 449 Q C 1.598 177.573 176.000 -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 2.265 111.044 108.800 -0.036 0.000 2.198 450 G HA2 0.195 4.155 3.960 -0.001 0.000 0.280 450 G HA3 0.195 4.155 3.960 -0.001 0.000 0.280 450 G C -0.308 174.573 174.900 -0.032 0.000 0.954 450 G CA 0.767 45.850 45.100 -0.029 0.000 1.281 450 G HN 0.364 nan 8.290 nan 0.000 0.373 451 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 1.027 175.716 174.700 -0.019 0.000 1.046 451 T CA -0.525 61.559 62.100 -0.027 0.000 0.983 451 T CB 0.542 69.393 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 4.455 4.350 -0.001 0.000 0.221 452 T C 0.457 175.151 174.700 -0.011 0.000 0.939 452 T CA 0.129 62.222 62.100 -0.011 0.000 1.218 452 T CB -0.790 68.073 68.868 -0.009 0.000 1.266 452 T HN 0.494 nan 8.240 nan 0.000 0.917 453 S N 1.944 117.638 115.700 -0.011 0.000 2.429 453 S HA 0.482 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 0.181 58.374 58.200 -0.010 0.000 1.088 453 S CB -0.126 63.068 63.200 -0.011 0.000 1.018 453 S HN 0.843 nan 8.310 nan 0.000 0.511 454 G N 3.583 112.378 108.800 -0.008 0.000 4.170 454 G HA2 0.161 4.120 3.960 -0.001 0.000 0.143 454 G HA3 0.161 4.120 3.960 -0.001 0.000 0.143 454 G C -0.296 174.601 174.900 -0.006 0.000 1.261 454 G CA -0.221 44.876 45.100 -0.006 0.000 1.043 454 G HN 0.583 nan 8.290 nan 0.000 0.382 455 T N 2.285 116.836 114.554 -0.006 0.000 2.794 455 T HA 0.498 4.848 4.350 -0.001 0.000 0.280 455 T C 0.347 175.042 174.700 -0.007 0.000 0.987 455 T CA 0.612 62.708 62.100 -0.006 0.000 0.993 455 T CB 1.346 70.211 68.868 -0.005 0.000 0.939 455 T HN 0.609 nan 8.240 nan 0.000 0.449 456 T N 3.657 118.207 114.554 -0.007 0.000 3.760 456 T HA -0.171 4.179 4.350 -0.001 0.000 0.366 456 T C 0.147 174.841 174.700 -0.009 0.000 0.761 456 T CA 0.547 62.643 62.100 -0.007 0.000 1.887 456 T CB -1.211 67.653 68.868 -0.006 0.000 1.811 456 T HN 0.621 nan 8.240 nan 0.000 0.749 457 N N 1.619 120.313 118.700 -0.010 0.000 2.841 457 N HA 0.117 4.857 4.740 -0.001 0.000 0.257 457 N C 1.411 176.913 175.510 -0.015 0.000 1.396 457 N CA -0.503 52.539 53.050 -0.013 0.000 0.823 457 N CB 1.293 39.772 38.487 -0.014 0.000 1.162 457 N HN 0.530 nan 8.380 nan 0.000 0.503 458 Q N 0.283 120.074 119.800 -0.015 0.000 1.984 458 Q HA 0.031 4.371 4.340 -0.001 0.000 0.196 458 Q C 0.251 176.239 176.000 -0.020 0.000 0.975 458 Q CA 0.920 56.714 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 -1.031 173.547 174.600 -0.037 0.000 1.145 459 S CA -1.038 57.143 58.200 -0.031 0.000 0.852 459 S CB 3.072 66.254 63.200 -0.029 0.000 1.119 459 S HN 0.449 nan 8.310 nan 0.000 0.465 460 R N 1.071 121.538 120.500 -0.054 0.000 2.579 460 R HA 0.394 4.734 4.340 -0.001 0.000 0.260 460 R C -1.965 174.266 176.300 -0.115 0.000 1.103 460 R CA -0.751 55.309 56.100 -0.066 0.000 0.942 460 R CB 1.055 31.322 30.300 -0.055 0.000 1.251 460 R HN 0.806 nan 8.270 nan 0.000 0.450 461 L N 5.685 126.825 121.223 -0.137 0.000 2.325 461 L HA 0.392 4.732 4.340 -0.001 0.000 0.284 461 L C -0.468 176.141 176.870 -0.434 0.000 1.089 461 L CA -0.224 54.445 54.840 -0.284 0.000 0.836 461 L CB 0.589 42.526 42.059 -0.203 0.000 1.184 461 L HN 0.376 nan 8.230 nan 0.000 0.444 462 L N 4.127 125.014 121.223 -0.560 0.000 2.385 462 L HA 0.573 4.913 4.340 -0.001 0.000 0.273 462 L C -0.829 175.667 176.870 -0.624 0.000 0.990 462 L CA -0.421 54.145 54.840 -0.457 0.000 0.821 462 L CB 1.915 43.850 42.059 -0.207 0.000 1.279 462 L HN 0.336 nan 8.230 nan 0.000 0.412 463 F N 0.278 120.185 119.950 -0.073 0.000 2.522 463 F HA 0.582 5.109 4.527 -0.001 0.000 0.324 463 F C 0.382 176.125 175.800 -0.095 0.000 1.077 463 F CA -0.584 57.355 58.000 -0.100 0.000 0.944 463 F CB 2.196 41.164 39.000 -0.053 0.000 1.175 463 F HN 0.261 nan 8.300 nan 0.000 0.468 464 S N 0.670 116.277 115.700 -0.156 0.000 2.536 464 S HA 0.321 4.791 4.470 -0.001 0.000 0.298 464 S C -1.023 173.386 174.600 -0.318 0.000 1.083 464 S CA -0.868 57.194 58.200 -0.230 0.000 0.995 464 S CB 1.822 64.788 63.200 -0.390 0.000 1.058 464 S HN 0.638 nan 8.310 nan 0.000 0.488 465 Q N 2.118 121.753 119.800 -0.276 0.000 2.288 465 Q HA 0.543 4.883 4.340 -0.001 0.000 0.258 465 Q C -0.227 175.712 176.000 -0.101 0.000 0.957 465 Q CA -0.712 54.718 55.803 -0.623 0.000 0.919 465 Q CB 0.776 29.082 28.738 -0.721 0.000 1.185 465 Q HN 0.782 nan 8.270 nan 0.000 0.408 466 A N 3.397 126.255 122.820 0.063 0.000 2.565 466 A HA 0.459 4.779 4.320 -0.001 0.000 0.237 466 A C 0.330 177.915 177.584 0.002 0.000 1.053 466 A CA 0.776 52.893 52.037 0.134 0.000 0.755 466 A CB 0.090 19.084 19.000 -0.011 0.000 0.980 466 A HN 0.887 nan 8.150 nan 0.000 0.506 467 G N 1.088 109.898 108.800 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 -2.404 172.485 174.900 -0.018 0.000 1.364 467 G CA -1.027 44.068 45.100 -0.007 0.000 0.938 467 G HN 0.303 nan 8.290 nan 0.000 0.490 468 P HA -0.053 nan 4.420 nan 0.000 0.222 468 P C 1.511 178.803 177.300 -0.014 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 -0.338 119.461 119.800 -0.003 0.000 2.096 469 Q HA -0.016 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 1.323 57.128 55.803 0.005 0.000 0.838 469 Q CB -0.468 28.280 28.738 0.016 0.000 0.906 469 Q HN 0.285 nan 8.270 nan 0.000 0.444 470 S N -0.021 115.682 115.700 0.005 0.000 3.983 470 S HA 0.217 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 2.342 121.902 119.600 -0.065 0.000 2.156 471 M HA -0.061 4.419 4.480 -0.001 0.000 0.264 471 M C 1.821 178.066 176.300 -0.093 0.000 1.067 471 M CA 1.569 56.827 55.300 -0.071 0.000 1.131 471 M CB -0.063 32.510 32.600 -0.044 0.000 1.368 471 M HN 0.676 nan 8.290 nan 0.000 0.416 472 S N -0.734 114.911 115.700 -0.092 0.000 2.679 472 S HA 0.209 4.679 4.470 -0.001 0.000 0.233 472 S C 0.888 175.400 174.600 -0.146 0.000 0.951 472 S CA -0.295 57.846 58.200 -0.099 0.000 0.973 472 S CB -0.387 62.770 63.200 -0.071 0.000 0.778 472 S HN 0.567 nan 8.310 nan 0.000 0.477 473 L N -0.488 120.600 121.223 -0.226 0.000 2.993 473 L HA 0.310 4.650 4.340 -0.001 0.000 0.264 473 L C 0.654 177.223 176.870 -0.502 0.000 1.154 473 L CA -0.234 54.370 54.840 -0.393 0.000 0.972 473 L CB 0.173 41.902 42.059 -0.551 0.000 1.373 473 L HN 0.254 nan 8.230 nan 0.000 0.564 474 Q N 1.193 120.792 119.800 -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 0.972 29.609 28.738 -0.169 0.000 1.280 474 Q HN 0.273 nan 8.270 nan 0.000 0.455 475 A N 1.921 124.650 122.820 -0.151 0.000 2.520 475 A HA 0.195 4.514 4.320 -0.001 0.000 0.235 475 A C -0.040 177.474 177.584 -0.116 0.000 1.065 475 A CA 0.260 52.229 52.037 -0.114 0.000 0.764 475 A CB 0.304 19.246 19.000 -0.098 0.000 1.002 475 A HN 0.578 nan 8.150 nan 0.000 0.502 476 R N 0.334 120.767 120.500 -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 0.227 118.740 118.700 -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 -1.015 0.000 1.116 477 N CA 0.339 52.936 53.050 -0.756 0.000 0.881 477 N CB 0.457 38.333 38.487 -1.018 0.000 1.006 477 N HN 0.368 nan 8.380 nan 0.000 0.491 478 W N 0.082 121.381 121.300 -0.001 0.000 3.083 478 W HA 0.546 5.206 4.660 -0.001 0.000 0.333 478 W C -0.696 175.834 176.519 0.019 0.000 1.217 478 W CA -0.766 56.587 57.345 0.012 0.000 1.170 478 W CB 0.811 30.270 29.460 -0.001 0.000 1.437 478 W HN -0.371 nan 8.180 nan 0.000 0.557 479 L N 2.024 123.430 121.223 0.305 0.000 2.303 479 L HA 0.652 4.991 4.340 -0.001 0.000 0.266 479 L C -2.141 174.854 176.870 0.208 0.000 1.011 479 L CA -2.726 52.237 54.840 0.204 0.000 0.818 479 L CB 0.534 42.713 42.059 0.200 0.000 1.326 479 L HN 0.068 nan 8.230 nan 0.000 0.435 480 P HA 0.242 nan 4.420 nan 0.000 0.274 480 P C -0.115 177.343 177.300 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 0.682 109.643 108.800 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 -2.280 172.684 174.900 0.108 0.000 1.212 481 G CA -0.931 44.317 45.100 0.245 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 0.600 32.063 31.700 -0.394 0.000 1.040 483 C N -1.869 117.338 119.300 -0.154 0.000 3.285 483 C HA 0.706 5.165 4.460 -0.001 0.000 0.325 483 C C -1.718 173.296 174.990 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 0.036 0.000 1.640 483 C HN 0.604 nan 8.230 nan 0.000 0.477 484 Y N 1.716 121.974 120.300 -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 -0.327 57.740 58.100 -0.054 0.000 1.310 484 Y CB 0.512 38.947 38.460 -0.042 0.000 1.115 484 Y HN 1.055 nan 8.280 nan 0.000 0.505 485 R N 3.694 124.077 120.500 -0.195 0.000 2.500 485 R HA 0.017 4.357 4.340 -0.001 0.000 0.281 485 R C -0.476 175.746 176.300 -0.129 0.000 0.953 485 R CA 0.808 56.826 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 2.316 122.074 119.800 -0.070 0.000 2.297 486 Q HA 0.141 4.480 4.340 -0.001 0.000 0.268 486 Q C -0.829 175.109 176.000 -0.103 0.000 1.045 486 Q CA -0.940 54.811 55.803 -0.088 0.000 0.861 486 Q CB 1.834 30.517 28.738 -0.092 0.000 1.344 486 Q HN 0.515 nan 8.270 nan 0.000 0.452 487 Q N 1.231 120.964 119.800 -0.111 0.000 2.327 487 Q HA 0.139 4.479 4.340 -0.001 0.000 0.254 487 Q C -0.759 175.179 176.000 -0.103 0.000 0.952 487 Q CA 0.149 55.902 55.803 -0.083 0.000 0.884 487 Q CB 0.751 29.486 28.738 -0.005 0.000 1.224 487 Q HN 0.386 nan 8.270 nan 0.000 0.422 488 R N 3.129 123.570 120.500 -0.098 0.000 2.308 488 R HA 0.419 4.758 4.340 -0.001 0.000 0.305 488 R C -1.216 175.045 176.300 -0.066 0.000 1.053 488 R CA -0.384 55.654 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 2.082 123.186 121.223 -0.199 0.000 2.354 489 L HA 0.428 4.768 4.340 -0.001 0.000 0.269 489 L C -0.236 176.600 176.870 -0.058 0.000 1.005 489 L CA -0.171 54.534 54.840 -0.225 0.000 0.819 489 L CB 2.039 43.693 42.059 -0.676 0.000 1.311 489 L HN 0.586 nan 8.230 nan 0.000 0.423 490 S N 0.234 115.996 115.700 0.104 0.000 2.549 490 S HA 0.435 4.904 4.470 -0.001 0.000 0.297 490 S C 0.771 175.453 174.600 0.137 0.000 1.115 490 S CA -0.578 57.637 58.200 0.026 0.000 1.059 490 S CB 1.040 64.211 63.200 -0.049 0.000 1.046 490 S HN 0.644 nan 8.310 nan 0.000 0.506 491 K N 1.322 121.777 120.400 0.091 0.000 2.288 491 K HA 0.026 4.346 4.320 -0.001 0.000 0.201 491 K C 0.225 176.835 176.600 0.017 0.000 1.048 491 K CA 0.693 57.035 56.287 0.090 0.000 0.956 491 K CB -0.225 32.273 32.500 -0.002 0.000 0.746 491 K HN 0.496 nan 8.250 nan 0.000 0.461 492 T N 1.872 116.407 114.554 -0.032 0.000 2.738 492 T HA 0.179 4.529 4.350 -0.001 0.000 0.293 492 T C 0.597 175.308 174.700 0.018 0.000 0.913 492 T CA -0.288 61.799 62.100 -0.022 0.000 1.103 492 T CB 1.233 70.072 68.868 -0.050 0.000 0.880 492 T HN 0.146 nan 8.240 nan 0.000 0.526 493 A N 3.890 126.725 122.820 0.025 0.000 2.223 493 A HA 0.045 4.365 4.320 -0.001 0.000 0.222 493 A C 1.613 179.223 177.584 0.043 0.000 1.317 493 A CA 0.103 52.164 52.037 0.041 0.000 0.985 493 A CB -0.671 18.347 19.000 0.030 0.000 0.858 493 A HN 0.949 nan 8.150 nan 0.000 0.496 494 N N -2.655 116.070 118.700 0.043 0.000 2.067 494 N HA -0.028 4.711 4.740 -0.001 0.000 0.227 494 N C -0.331 175.213 175.510 0.057 0.000 1.348 494 N CA 0.250 53.327 53.050 0.045 0.000 0.879 494 N CB 0.099 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 1.025 121.466 120.400 0.068 0.000 2.277 495 D HA 0.068 4.708 4.640 -0.001 0.000 0.208 495 D C 0.182 176.551 176.300 0.115 0.000 0.962 495 D CA 0.674 54.733 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 1.110 119.883 118.700 0.121 0.000 2.445 496 N HA 0.013 4.753 4.740 -0.001 0.000 0.264 496 N C 0.060 175.644 175.510 0.123 0.000 1.227 496 N CA -0.276 52.864 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 0.857 119.627 118.700 0.116 0.000 2.492 497 N HA -0.088 4.652 4.740 -0.001 0.000 0.262 497 N C -0.259 175.340 175.510 0.147 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 1.875 120.631 118.700 0.093 0.000 3.193 498 N HA -0.024 4.715 4.740 -0.001 0.000 0.312 498 N C -1.039 174.537 175.510 0.110 0.000 1.261 498 N CA -0.164 52.943 53.050 0.094 0.000 1.208 498 N CB -0.123 38.399 38.487 0.058 0.000 1.471 498 N HN 0.493 nan 8.380 nan 0.000 0.548 499 S N 0.313 116.126 115.700 0.188 0.000 2.537 499 S HA 0.195 4.665 4.470 -0.001 0.000 0.270 499 S C -0.953 173.834 174.600 0.313 0.000 1.142 499 S CA -1.124 57.202 58.200 0.209 0.000 0.870 499 S CB 1.427 64.731 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 0.187 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 0.160 0.000 1.088 500 N CA -0.844 52.260 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 1.792 121.782 119.950 0.065 0.000 2.805 501 F HA 0.550 5.076 4.527 -0.001 0.000 0.317 501 F C -2.022 173.837 175.800 0.099 0.000 1.146 501 F CA -1.599 56.443 58.000 0.070 0.000 1.265 501 F CB 0.670 39.689 39.000 0.032 0.000 0.992 501 F HN 0.242 nan 8.300 nan 0.000 0.511 502 P HA -0.035 nan 4.420 nan 0.000 0.249 502 P C 0.617 178.063 177.300 0.243 0.000 1.241 502 P CA 1.005 64.109 63.100 0.007 0.000 0.781 502 P CB -0.093 31.586 31.700 -0.035 0.000 1.088 503 W N -0.522 120.803 121.300 0.042 0.000 3.900 503 W HA 0.027 4.687 4.660 -0.001 0.000 0.186 503 W C 0.506 177.064 176.519 0.065 0.000 1.082 503 W CA 0.663 58.033 57.345 0.042 0.000 1.537 503 W CB 0.017 29.482 29.460 0.008 0.000 0.639 503 W HN -0.108 nan 8.180 nan 0.000 0.912 504 T N -0.682 113.935 114.554 0.105 0.000 3.100 504 T HA 0.345 4.695 4.350 -0.001 0.000 0.253 504 T C 1.166 175.865 174.700 -0.001 0.000 1.118 504 T CA 0.957 63.058 62.100 0.003 0.000 1.058 504 T CB 0.363 69.303 68.868 0.120 0.000 0.953 504 T HN 0.084 nan 8.240 nan 0.000 0.515 505 A N 0.204 123.072 122.820 0.080 0.000 2.600 505 A HA 0.831 5.151 4.320 -0.001 0.000 0.252 505 A C 0.993 178.625 177.584 0.080 0.000 1.200 505 A CA -0.023 52.062 52.037 0.081 0.000 0.981 505 A CB 0.147 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 0.295 123.160 122.820 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 -0.181 51.930 52.037 0.124 0.000 0.816 506 A CB 0.251 19.415 19.000 0.275 0.000 1.067 506 A HN 0.298 nan 8.150 nan 0.000 0.489 507 S N 1.387 117.165 115.700 0.130 0.000 2.510 507 S HA 0.381 4.851 4.470 -0.001 0.000 0.279 507 S C -0.009 174.716 174.600 0.208 0.000 1.284 507 S CA -0.164 58.130 58.200 0.156 0.000 1.059 507 S CB 0.002 63.324 63.200 0.203 0.000 0.901 507 S HN 0.636 nan 8.310 nan 0.000 0.491 508 K N 1.663 122.144 120.400 0.135 0.000 2.509 508 K HA 0.599 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 33.697 32.500 -0.244 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 -0.693 175.282 175.900 0.125 0.000 1.051 509 Y CA -1.021 57.118 58.100 0.065 0.000 1.121 509 Y CB 1.535 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 1.744 120.954 119.070 0.234 0.000 2.865 510 H HA 0.628 5.183 4.556 -0.001 0.000 0.362 510 H C -2.394 173.064 175.328 0.216 0.000 1.114 510 H CA -1.183 54.948 56.048 0.137 0.000 1.208 510 H CB 1.617 31.414 29.762 0.060 0.000 1.727 510 H HN 0.886 nan 8.280 nan 0.000 0.534 511 L N 3.496 124.762 121.223 0.072 0.000 2.385 511 L HA 0.236 4.576 4.340 -0.001 0.000 0.273 511 L C 0.544 177.465 176.870 0.085 0.000 0.990 511 L CA -0.850 53.989 54.840 -0.001 0.000 0.821 511 L CB 1.546 43.672 42.059 0.112 0.000 1.279 511 L HN 0.839 nan 8.230 nan 0.000 0.412 512 N N 2.375 121.108 118.700 0.056 0.000 2.741 512 N HA -0.185 4.555 4.740 -0.001 0.000 0.250 512 N C 0.696 176.306 175.510 0.166 0.000 1.115 512 N CA 1.331 54.442 53.050 0.101 0.000 0.724 512 N CB -0.614 37.927 38.487 0.091 0.000 1.090 512 N HN 1.123 nan 8.380 nan 0.000 0.558 513 G N -0.357 108.629 108.800 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 45.816 45.100 0.319 0.000 0.741 513 G HN 0.722 nan 8.290 nan 0.000 0.508 514 R N 0.495 121.165 120.500 0.284 0.000 2.451 514 R HA 0.370 4.710 4.340 -0.001 0.000 0.307 514 R C -1.137 175.277 176.300 0.190 0.000 0.965 514 R CA -0.841 55.379 56.100 0.201 0.000 0.865 514 R CB 0.764 31.166 30.300 0.169 0.000 1.174 514 R HN 0.088 nan 8.270 nan 0.000 0.455 515 D N 1.750 122.250 120.400 0.168 0.000 2.425 515 D HA 0.135 4.775 4.640 -0.001 0.000 0.247 515 D C -0.710 175.619 176.300 0.048 0.000 1.147 515 D CA 0.805 54.867 54.000 0.104 0.000 0.879 515 D CB 1.495 42.380 40.800 0.142 0.000 1.179 515 D HN 0.374 nan 8.370 nan 0.000 0.456 516 S N 1.520 117.056 115.700 -0.273 0.000 2.571 516 S HA 0.285 4.754 4.470 -0.001 0.000 0.284 516 S C -0.616 173.704 174.600 -0.468 0.000 1.128 516 S CA -0.759 57.203 58.200 -0.397 0.000 0.970 516 S CB 1.799 64.572 63.200 -0.712 0.000 1.039 516 S HN 0.292 nan 8.310 nan 0.000 0.485 517 L N 3.924 125.066 121.223 -0.135 0.000 2.418 517 L HA 0.337 4.676 4.340 -0.001 0.000 0.274 517 L C -0.357 176.473 176.870 -0.066 0.000 1.135 517 L CA 0.112 54.892 54.840 -0.100 0.000 0.870 517 L CB 0.531 42.572 42.059 -0.030 0.000 1.154 517 L HN 0.522 nan 8.230 nan 0.000 0.462 518 V N 6.896 126.843 119.914 0.054 0.000 2.242 518 V HA 0.024 4.144 4.120 -0.001 0.000 0.242 518 V C 1.240 177.423 176.094 0.148 0.000 1.240 518 V CA 0.026 62.443 62.300 0.194 0.000 1.211 518 V CB -0.694 31.284 31.823 0.260 0.000 1.338 518 V HN 0.918 nan 8.190 nan 0.000 0.499 519 N N 6.356 125.076 118.700 0.033 0.000 2.054 519 N HA 0.010 4.750 4.740 -0.001 0.000 0.193 519 N C -1.813 173.837 175.510 0.232 0.000 1.066 519 N CA 0.798 53.862 53.050 0.023 0.000 0.853 519 N CB -0.426 38.033 38.487 -0.047 0.000 1.048 519 N HN 0.366 nan 8.380 nan 0.000 0.431 520 P HA 0.277 nan 4.420 nan 0.000 0.251 520 P C -0.242 177.137 177.300 0.131 0.000 1.718 520 P CA -0.377 62.811 63.100 0.146 0.000 1.119 520 P CB 0.809 32.574 31.700 0.108 0.000 1.762 521 G N 4.633 113.524 108.800 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 0.205 nan 4.420 nan 0.000 0.269 522 P C -0.182 177.143 177.300 0.042 0.000 1.205 522 P CA 0.274 63.367 63.100 -0.010 0.000 0.780 522 P CB 0.313 31.972 31.700 -0.067 0.000 0.858 523 A N 3.550 126.398 122.820 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 0.088 0.000 1.163 523 A CA 0.365 52.460 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 2.064 121.721 119.600 0.096 0.000 2.644 524 M HA 0.588 5.067 4.480 -0.001 0.000 0.304 524 M C 0.234 176.588 176.300 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 34.891 32.600 0.083 0.000 1.740 524 M HN 0.636 nan 8.290 nan 0.000 0.464 525 A N 0.894 123.756 122.820 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 -0.258 51.809 52.037 0.051 0.000 0.781 525 A CB 0.262 19.265 19.000 0.004 0.000 1.019 525 A HN 0.924 nan 8.150 nan 0.000 0.490 526 S N 0.648 116.414 115.700 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 1.507 59.839 58.200 0.219 0.000 0.978 526 S CB -0.280 63.120 63.200 0.334 0.000 0.833 526 S HN 0.956 nan 8.310 nan 0.000 0.466 527 H N 0.280 119.419 119.070 0.114 0.000 3.016 527 H HA 0.507 5.063 4.556 -0.001 0.000 0.362 527 H C -1.032 174.347 175.328 0.085 0.000 1.233 527 H CA -1.211 54.906 56.048 0.116 0.000 1.124 527 H CB 0.947 30.807 29.762 0.162 0.000 1.850 527 H HN 0.130 nan 8.280 nan 0.000 0.549 528 K N 0.990 121.452 120.400 0.103 0.000 2.117 528 K HA 0.199 4.519 4.320 -0.001 0.000 0.240 528 K C -0.621 176.034 176.600 0.091 0.000 1.031 528 K CA -0.691 55.615 56.287 0.032 0.000 0.909 528 K CB 0.609 33.130 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 4.647 4.640 -0.001 0.000 0.239 529 D C -0.409 175.963 176.300 0.120 0.000 1.136 529 D CA 0.904 54.952 54.000 0.081 0.000 0.879 529 D CB 0.226 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 1.360 121.842 120.400 0.136 0.000 2.835 530 D HA -0.156 4.484 4.640 -0.001 0.000 0.230 530 D C 0.585 176.971 176.300 0.142 0.000 1.130 530 D CA 0.861 54.931 54.000 0.117 0.000 0.738 530 D CB -0.650 40.199 40.800 0.082 0.000 1.090 530 D HN 0.599 nan 8.370 nan 0.000 0.433 531 E N -0.547 119.772 120.200 0.198 0.000 3.555 531 E HA 0.086 4.435 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 -0.144 56.371 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 0.261 176.673 176.600 -0.312 0.000 1.107 532 E CA 1.451 57.527 56.400 -0.539 0.000 0.754 532 E CB -1.137 28.456 29.700 -0.179 0.000 1.335 532 E HN 0.391 nan 8.360 nan 0.000 0.411 533 K N -1.820 118.437 120.400 -0.238 0.000 2.574 533 K HA 0.161 4.481 4.320 -0.001 0.000 0.215 533 K C 0.040 176.496 176.600 -0.240 0.000 1.485 533 K CA -0.160 55.969 56.287 -0.263 0.000 1.006 533 K CB 0.207 32.477 32.500 -0.384 0.000 1.254 533 K HN 0.032 nan 8.250 nan 0.000 0.580 534 F N 3.565 123.541 119.950 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 56.732 58.000 0.072 0.000 1.149 534 F CB 0.589 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 3.162 123.207 119.950 0.158 0.000 2.470 535 F HA 0.826 5.353 4.527 -0.001 0.000 0.329 535 F C -3.007 172.862 175.800 0.115 0.000 1.072 535 F CA -3.621 54.453 58.000 0.123 0.000 0.989 535 F CB 0.497 39.535 39.000 0.064 0.000 1.193 535 F HN 0.110 nan 8.300 nan 0.000 0.481 536 P HA 0.108 nan 4.420 nan 0.000 0.271 536 P C -0.454 176.721 177.300 -0.209 0.000 1.218 536 P CA -0.427 62.614 63.100 -0.099 0.000 0.780 536 P CB 0.738 32.444 31.700 0.012 0.000 0.901 537 M N 4.983 124.403 119.600 -0.300 0.000 2.734 537 M HA -0.049 4.431 4.480 -0.001 0.000 0.356 537 M C 0.924 176.892 176.300 -0.554 0.000 1.790 537 M CA 0.719 55.829 55.300 -0.317 0.000 1.231 537 M CB -1.302 31.128 32.600 -0.284 0.000 2.102 537 M HN 0.559 nan 8.290 nan 0.000 0.463 538 H N 1.167 120.341 119.070 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 0.472 56.613 56.048 0.156 0.000 1.142 538 H CB -2.194 27.634 29.762 0.108 0.000 1.410 538 H HN 0.916 nan 8.280 nan 0.000 0.409 539 G N 0.916 109.782 108.800 0.109 0.000 3.262 539 G HA2 0.107 4.066 3.960 -0.001 0.000 0.228 539 G HA3 0.107 4.066 3.960 -0.001 0.000 0.228 539 G C 0.357 175.354 174.900 0.161 0.000 1.197 539 G CA 0.325 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 -1.200 117.598 118.700 0.163 0.000 3.322 540 N HA 0.111 4.851 4.740 -0.001 0.000 0.233 540 N C -1.731 173.795 175.510 0.027 0.000 1.399 540 N CA -0.842 52.276 53.050 0.114 0.000 0.894 540 N CB 0.826 39.387 38.487 0.123 0.000 1.440 540 N HN -0.188 nan 8.380 nan 0.000 0.503 541 L N 0.798 121.985 121.223 -0.061 0.000 2.367 541 L HA 0.443 4.783 4.340 -0.001 0.000 0.275 541 L C 0.060 176.664 176.870 -0.443 0.000 1.129 541 L CA 0.129 54.809 54.840 -0.267 0.000 0.839 541 L CB 0.148 42.004 42.059 -0.339 0.000 1.133 541 L HN 0.473 nan 8.230 nan 0.000 0.453 542 I N 3.737 124.039 120.570 -0.447 0.000 2.389 542 I HA 0.343 4.513 4.170 -0.001 0.000 0.288 542 I C -0.664 175.186 176.117 -0.444 0.000 0.999 542 I CA -0.407 60.672 61.300 -0.368 0.000 1.129 542 I CB 1.014 38.902 38.000 -0.186 0.000 1.288 542 I HN 0.308 nan 8.210 nan 0.000 0.444 543 F N 3.082 122.987 119.950 -0.074 0.000 2.422 543 F HA 0.580 5.106 4.527 -0.001 0.000 0.333 543 F C 1.070 176.837 175.800 -0.054 0.000 1.095 543 F CA -0.643 57.326 58.000 -0.052 0.000 1.038 543 F CB 1.656 40.627 39.000 -0.049 0.000 1.156 543 F HN 0.420 nan 8.300 nan 0.000 0.483 544 G N 2.739 111.628 108.800 0.148 0.000 2.353 544 G HA2 0.337 4.297 3.960 -0.001 0.000 0.284 544 G HA3 0.337 4.297 3.960 -0.001 0.000 0.284 544 G C -0.564 174.361 174.900 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 0.791 121.191 120.400 0.001 0.000 2.286 545 K HA 0.062 4.382 4.320 -0.001 0.000 0.256 545 K C 0.314 176.894 176.600 -0.034 0.000 0.999 545 K CA -0.174 56.092 56.287 -0.035 0.000 0.908 545 K CB 0.650 33.117 32.500 -0.054 0.000 0.981 545 K HN 0.517 nan 8.250 nan 0.000 0.500 546 E N 0.343 120.507 120.200 -0.061 0.000 2.415 546 E HA 0.082 4.432 4.350 -0.001 0.000 0.263 546 E C -0.187 176.390 176.600 -0.038 0.000 0.995 546 E CA 1.085 57.456 56.400 -0.048 0.000 0.915 546 E CB 0.309 29.964 29.700 -0.075 0.000 0.951 546 E HN 0.636 nan 8.360 nan 0.000 0.449 547 G N 3.568 112.357 108.800 -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 -0.451 174.438 174.900 -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 1.205 115.752 114.554 -0.012 0.000 3.705 548 T HA 0.433 4.782 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 1.197 70.055 68.868 -0.016 0.000 1.124 548 T HN 0.637 nan 8.240 nan 0.000 0.467 549 T N 2.383 116.931 114.554 -0.011 0.000 2.906 549 T HA 0.211 4.561 4.350 -0.001 0.000 0.329 549 T C 1.633 176.326 174.700 -0.011 0.000 1.091 549 T CA 0.326 62.420 62.100 -0.010 0.000 1.127 549 T CB 0.458 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 1.958 124.772 122.820 -0.011 0.000 2.206 550 A HA 0.231 4.551 4.320 -0.001 0.000 0.211 550 A C 1.397 178.967 177.584 -0.022 0.000 1.158 550 A CA 0.237 52.265 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 0.359 116.046 115.700 -0.022 0.000 2.498 551 S HA 0.410 4.879 4.470 -0.001 0.000 0.324 551 S C -0.444 174.141 174.600 -0.025 0.000 1.071 551 S CA -0.672 57.513 58.200 -0.026 0.000 1.113 551 S CB -0.437 62.747 63.200 -0.026 0.000 0.976 551 S HN 0.557 nan 8.310 nan 0.000 0.462 552 N N 2.245 120.929 118.700 -0.027 0.000 2.607 552 N HA -0.201 4.538 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 -0.538 37.934 38.487 -0.024 0.000 0.923 552 N HN 0.657 nan 8.380 nan 0.000 0.552 553 A N 0.794 123.600 122.820 -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 0.769 19.755 19.000 -0.023 0.000 1.142 553 A HN 0.464 nan 8.150 nan 0.000 0.499 554 E N -0.716 119.469 120.200 -0.025 0.000 2.374 554 E HA 0.245 4.594 4.350 -0.001 0.000 0.260 554 E C 0.841 177.421 176.600 -0.034 0.000 1.101 554 E CA -0.268 56.116 56.400 -0.026 0.000 0.907 554 E CB 0.700 30.385 29.700 -0.025 0.000 1.014 554 E HN 0.513 nan 8.360 nan 0.000 0.427 555 L N 2.075 123.278 121.223 -0.034 0.000 2.191 555 L HA -0.066 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 1.806 56.616 54.840 -0.050 0.000 0.769 555 L CB -0.095 41.940 42.059 -0.039 0.000 0.908 555 L HN 0.521 nan 8.230 nan 0.000 0.438 556 D N -0.702 119.669 120.400 -0.048 0.000 2.328 556 D HA -0.003 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 40.758 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 -0.015 175.471 175.510 -0.041 0.000 1.151 557 N CA 0.057 53.081 53.050 -0.042 0.000 0.878 557 N CB 1.669 40.135 38.487 -0.035 0.000 1.014 557 N HN 0.072 nan 8.380 nan 0.000 0.512 558 V N -2.176 117.707 119.914 -0.051 0.000 3.074 558 V HA 0.660 4.780 4.120 -0.001 0.000 0.314 558 V C -0.411 175.649 176.094 -0.057 0.000 1.117 558 V CA -0.985 61.286 62.300 -0.049 0.000 1.014 558 V CB 2.511 34.294 31.823 -0.066 0.000 1.057 558 V HN -0.181 nan 8.190 nan 0.000 0.438 559 M N 3.288 122.871 119.600 -0.028 0.000 2.043 559 M HA 0.583 5.063 4.480 -0.001 0.000 0.322 559 M C -0.998 175.272 176.300 -0.050 0.000 0.962 559 M CA -0.145 55.145 55.300 -0.018 0.000 0.927 559 M CB 1.531 34.161 32.600 0.051 0.000 1.466 559 M HN 0.561 nan 8.290 nan 0.000 0.412 560 I N 2.602 123.099 120.570 -0.122 0.000 2.365 560 I HA 0.325 4.495 4.170 -0.001 0.000 0.291 560 I C 0.631 176.689 176.117 -0.097 0.000 1.004 560 I CA -0.662 60.534 61.300 -0.174 0.000 1.311 560 I CB 1.458 39.251 38.000 -0.345 0.000 1.401 560 I HN 0.596 nan 8.210 nan 0.000 0.491 561 T N 0.518 115.015 114.554 -0.094 0.000 2.806 561 T HA 0.279 4.629 4.350 -0.001 0.000 0.290 561 T C -0.490 174.253 174.700 0.071 0.000 0.966 561 T CA -0.838 61.223 62.100 -0.064 0.000 1.060 561 T CB 1.610 70.313 68.868 -0.276 0.000 0.927 561 T HN 0.409 nan 8.240 nan 0.000 0.485 562 D N 1.940 122.430 120.400 0.149 0.000 2.329 562 D HA 0.183 4.823 4.640 -0.001 0.000 0.232 562 D C -0.122 176.326 176.300 0.246 0.000 1.088 562 D CA -0.510 53.620 54.000 0.216 0.000 0.835 562 D CB 0.916 41.853 40.800 0.227 0.000 1.078 562 D HN 0.447 nan 8.370 nan 0.000 0.495 563 E N 3.333 123.668 120.200 0.226 0.000 2.360 563 E HA 0.059 4.408 4.350 -0.001 0.000 0.253 563 E C 0.054 176.714 176.600 0.100 0.000 1.189 563 E CA -0.055 56.453 56.400 0.182 0.000 1.252 563 E CB 0.238 30.045 29.700 0.178 0.000 1.408 563 E HN 0.656 nan 8.360 nan 0.000 0.464 564 E N -0.252 119.993 120.200 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 -0.036 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 0.136 4.485 4.350 -0.001 0.000 0.200 565 E C 1.479 178.069 176.600 -0.016 0.000 0.995 565 E CA 0.237 56.619 56.400 -0.029 0.000 0.915 565 E CB 0.312 29.976 29.700 -0.060 0.000 0.930 565 E HN 0.555 nan 8.360 nan 0.000 0.496 566 I N -1.976 118.597 120.570 0.006 0.000 3.858 566 I HA 0.290 4.460 4.170 -0.001 0.000 0.325 566 I C 1.027 177.168 176.117 0.039 0.000 1.403 566 I CA -0.184 61.138 61.300 0.036 0.000 1.169 566 I CB 0.183 38.213 38.000 0.050 0.000 1.077 566 I HN -0.134 nan 8.210 nan 0.000 0.403 567 R N 1.409 121.916 120.500 0.012 0.000 2.152 567 R HA -0.088 4.251 4.340 -0.001 0.000 0.232 567 R C 2.185 178.491 176.300 0.009 0.000 1.117 567 R CA 1.988 58.086 56.100 -0.004 0.000 0.981 567 R CB -0.369 29.912 30.300 -0.033 0.000 0.870 567 R HN 0.649 nan 8.270 nan 0.000 0.451 568 T N -3.213 111.356 114.554 0.024 0.000 3.067 568 T HA -0.010 4.340 4.350 -0.001 0.000 0.257 568 T C 1.711 176.402 174.700 -0.015 0.000 1.105 568 T CA 1.137 63.241 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 -1.896 112.666 114.554 0.014 0.000 2.955 569 T HA 0.317 4.667 4.350 -0.001 0.000 0.251 569 T C 0.359 175.113 174.700 0.089 0.000 1.002 569 T CA -0.539 61.573 62.100 0.020 0.000 0.970 569 T CB -0.270 68.600 68.868 0.003 0.000 1.091 569 T HN 0.384 nan 8.240 nan 0.000 0.495 570 N N 2.196 120.947 118.700 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 -2.018 51.095 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 0.054 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 -0.377 62.769 63.100 0.076 0.000 0.784 571 P CB 0.617 32.421 31.700 0.174 0.000 0.923 572 V N 1.969 121.905 119.914 0.037 0.000 2.572 572 V HA 0.115 4.234 4.120 -0.001 0.000 0.291 572 V C 1.719 177.839 176.094 0.042 0.000 1.039 572 V CA 0.532 62.852 62.300 0.033 0.000 1.055 572 V CB -0.036 31.795 31.823 0.014 0.000 0.969 572 V HN 0.721 nan 8.190 nan 0.000 0.482 573 A N 4.255 127.105 122.820 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 18.342 19.000 0.060 0.000 0.818 573 A HN 1.016 nan 8.150 nan 0.000 0.445 574 T N -2.695 111.858 114.554 -0.002 0.000 3.009 574 T HA 0.072 4.422 4.350 -0.001 0.000 0.258 574 T C 0.815 175.485 174.700 -0.051 0.000 1.063 574 T CA 0.393 62.468 62.100 -0.041 0.000 1.139 574 T CB -0.206 68.630 68.868 -0.053 0.000 0.890 574 T HN 0.392 nan 8.240 nan 0.000 0.471 575 E N 2.375 122.556 120.200 -0.032 0.000 2.397 575 E HA 0.173 4.523 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 -0.207 56.172 56.400 -0.036 0.000 0.954 575 E CB 0.473 30.156 29.700 -0.028 0.000 1.024 575 E HN 0.769 nan 8.360 nan 0.000 0.481 576 Q N -0.352 119.438 119.800 -0.016 0.000 2.492 576 Q HA 0.017 4.356 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 -0.040 55.772 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 -1.536 118.741 120.300 -0.038 0.000 2.539 577 Y HA 0.429 4.979 4.550 -0.001 0.000 0.284 577 Y C 0.537 176.425 175.900 -0.020 0.000 1.134 577 Y CA 1.083 59.167 58.100 -0.026 0.000 1.251 577 Y CB 1.217 39.661 38.460 -0.027 0.000 1.260 577 Y HN 0.865 nan 8.280 nan 0.000 0.528 578 G N -0.985 107.826 108.800 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 -1.431 173.477 174.900 0.015 0.000 1.236 578 G CA -0.379 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 0.086 114.643 114.554 0.004 0.000 2.829 579 T HA 0.678 5.028 4.350 -0.001 0.000 0.280 579 T C -0.663 174.054 174.700 0.029 0.000 0.999 579 T CA -0.320 61.787 62.100 0.012 0.000 0.983 579 T CB 1.718 70.583 68.868 -0.005 0.000 0.968 579 T HN 0.831 nan 8.240 nan 0.000 0.446 580 V N 1.674 121.605 119.914 0.028 0.000 2.789 580 V HA 0.804 4.924 4.120 -0.001 0.000 0.311 580 V C 0.108 176.213 176.094 0.017 0.000 1.073 580 V CA -1.305 61.012 62.300 0.029 0.000 0.921 580 V CB 1.827 33.671 31.823 0.035 0.000 1.009 580 V HN 1.089 nan 8.190 nan 0.000 0.426 581 A N 3.051 125.881 122.820 0.017 0.000 2.322 581 A HA 0.705 5.025 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 0.174 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 0.125 4.865 4.740 -0.001 0.000 0.284 582 N C -1.237 174.275 175.510 0.003 0.000 1.716 582 N CA -0.404 52.648 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 -0.249 118.454 118.700 0.004 0.000 3.322 583 N HA 0.146 4.886 4.740 -0.001 0.000 0.233 583 N C -1.739 173.774 175.510 0.005 0.000 1.399 583 N CA -0.580 52.472 53.050 0.004 0.000 0.894 583 N CB 0.603 39.091 38.487 0.002 0.000 1.440 583 N HN 0.048 nan 8.380 nan 0.000 0.503 584 L N 1.556 122.782 121.223 0.005 0.000 2.353 584 L HA 0.247 4.586 4.340 -0.001 0.000 0.269 584 L C 0.403 177.276 176.870 0.005 0.000 1.085 584 L CA -0.846 53.998 54.840 0.006 0.000 0.938 584 L CB 0.227 42.289 42.059 0.006 0.000 1.312 584 L HN 0.622 nan 8.230 nan 0.000 0.429 585 Q N 2.560 122.363 119.800 0.005 0.000 2.386 585 Q HA 0.417 4.757 4.340 -0.001 0.000 0.282 585 Q C -0.000 176.001 176.000 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 0.132 115.832 115.700 0.000 0.000 2.694 586 S HA 0.339 4.809 4.470 -0.001 0.000 0.273 586 S C 0.408 175.006 174.600 -0.002 0.000 1.180 586 S CA -0.336 57.864 58.200 -0.000 0.000 0.864 586 S CB 0.071 63.271 63.200 0.001 0.000 1.198 586 S HN 0.958 nan 8.310 nan 0.000 0.499 587 S N 1.172 116.871 115.700 -0.003 0.000 2.419 587 S HA -0.105 4.365 4.470 -0.001 0.000 0.233 587 S C 1.188 175.786 174.600 -0.004 0.000 1.016 587 S CA 1.291 59.488 58.200 -0.004 0.000 0.974 587 S CB -0.869 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 1.219 119.917 118.700 -0.002 0.000 2.395 588 N HA 0.091 4.831 4.740 -0.001 0.000 0.175 588 N C -0.114 175.394 175.510 -0.003 0.000 1.029 588 N CA 0.757 53.806 53.050 -0.002 0.000 0.897 588 N CB 0.041 38.527 38.487 -0.002 0.000 0.991 588 N HN 0.385 nan 8.380 nan 0.000 0.441 589 T N 0.392 114.944 114.554 -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 4.735 127.553 122.820 -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 -0.390 176.909 177.300 -0.002 0.000 1.193 591 P CA 0.497 63.596 63.100 -0.001 0.000 0.763 591 P CB 0.416 32.116 31.700 -0.000 0.000 0.810 592 T N 2.250 116.803 114.554 -0.001 0.000 2.855 592 T HA 0.419 4.769 4.350 -0.001 0.000 0.281 592 T C 0.030 174.729 174.700 -0.001 0.000 1.007 592 T CA -0.280 61.819 62.100 -0.002 0.000 1.009 592 T CB 1.186 70.052 68.868 -0.003 0.000 0.983 592 T HN 0.232 nan 8.240 nan 0.000 0.455 593 T N 3.112 117.664 114.554 -0.003 0.000 2.856 593 T HA 0.557 4.907 4.350 -0.001 0.000 0.283 593 T C -0.478 174.220 174.700 -0.004 0.000 1.008 593 T CA -0.767 61.332 62.100 -0.002 0.000 0.997 593 T CB 1.089 69.954 68.868 -0.004 0.000 0.992 593 T HN 0.265 nan 8.240 nan 0.000 0.454 594 R N 2.137 122.637 120.500 -0.000 0.000 2.480 594 R HA 0.363 4.702 4.340 -0.001 0.000 0.306 594 R C -0.928 175.374 176.300 0.003 0.000 0.958 594 R CA -0.472 55.627 56.100 -0.002 0.000 0.861 594 R CB 1.376 31.675 30.300 -0.000 0.000 1.171 594 R HN 0.616 nan 8.270 nan 0.000 0.445 595 T N 3.678 118.229 114.554 -0.005 0.000 2.738 595 T HA 0.053 4.403 4.350 -0.001 0.000 0.293 595 T C 0.046 174.750 174.700 0.006 0.000 0.913 595 T CA -0.054 62.045 62.100 -0.001 0.000 1.103 595 T CB 0.537 69.395 68.868 -0.016 0.000 0.880 595 T HN 0.351 nan 8.240 nan 0.000 0.526 596 V N 5.473 125.409 119.914 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 -0.157 62.168 62.300 0.043 0.000 0.976 596 V CB 0.441 32.328 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 -0.427 175.003 175.510 -0.133 0.000 1.107 597 N CA 0.185 53.190 53.050 -0.076 0.000 0.884 597 N CB 0.599 39.020 38.487 -0.110 0.000 1.030 597 N HN 0.809 nan 8.380 nan 0.000 0.482 598 D N 0.590 120.909 120.400 -0.135 0.000 2.855 598 D HA 0.195 4.834 4.640 -0.001 0.000 0.241 598 D C -1.509 174.677 176.300 -0.191 0.000 1.277 598 D CA -0.363 53.548 54.000 -0.148 0.000 0.918 598 D CB 1.421 42.156 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 0.101 175.923 176.000 -0.298 0.000 1.023 599 Q CA -0.740 54.816 55.803 -0.413 0.000 0.758 599 Q CB 1.632 29.785 28.738 -0.975 0.000 1.247 599 Q HN 0.525 nan 8.270 nan 0.000 0.455 600 G N 2.073 110.742 108.800 -0.219 0.000 2.479 600 G HA2 0.463 4.423 3.960 -0.001 0.000 0.275 600 G HA3 0.463 4.423 3.960 -0.001 0.000 0.275 600 G C -0.477 174.277 174.900 -0.244 0.000 1.421 600 G CA -0.091 44.876 45.100 -0.222 0.000 1.059 600 G HN 0.828 nan 8.290 nan 0.000 0.535 601 A N -1.509 121.157 122.820 -0.257 0.000 2.304 601 A HA 0.715 5.035 4.320 -0.001 0.000 0.271 601 A C -0.405 177.156 177.584 -0.037 0.000 1.091 601 A CA -0.218 51.706 52.037 -0.189 0.000 0.812 601 A CB 0.497 19.332 19.000 -0.275 0.000 1.056 601 A HN 0.574 nan 8.150 nan 0.000 0.489 602 L N 0.894 122.157 121.223 0.068 0.000 2.482 602 L HA 0.361 4.701 4.340 -0.001 0.000 0.263 602 L C -2.587 174.387 176.870 0.173 0.000 0.957 602 L CA -1.847 53.056 54.840 0.105 0.000 0.836 602 L CB 2.645 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 0.671 178.078 177.300 0.178 0.000 1.211 603 P CA 0.683 63.880 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 2.365 111.318 108.800 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 0.132 175.266 174.900 0.390 0.000 1.006 604 G CA -0.605 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 1.337 121.146 119.600 0.347 0.000 2.233 605 M HA 0.521 5.001 4.480 -0.001 0.000 0.350 605 M C 0.470 177.002 176.300 0.386 0.000 1.176 605 M CA -0.209 55.319 55.300 0.380 0.000 1.150 605 M CB 1.541 34.378 32.600 0.395 0.000 1.530 605 M HN 0.481 nan 8.290 nan 0.000 0.459 606 V N 0.861 120.960 119.914 0.308 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 0.204 0.000 1.065 606 V CA -0.679 61.668 62.300 0.078 0.000 0.894 606 V CB 1.206 32.938 31.823 -0.150 0.000 1.004 606 V HN 1.076 nan 8.190 nan 0.000 0.424 607 W N 2.460 123.737 121.300 -0.038 0.000 3.029 607 W HA 0.886 5.546 4.660 -0.001 0.000 0.339 607 W C -1.016 175.482 176.519 -0.034 0.000 1.198 607 W CA -1.065 56.261 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 1.970 121.877 119.800 0.177 0.000 2.274 608 Q HA 0.308 4.647 4.340 -0.001 0.000 0.260 608 Q C -0.399 175.720 176.000 0.199 0.000 0.974 608 Q CA -0.262 55.587 55.803 0.077 0.000 0.876 608 Q CB 1.320 30.086 28.738 0.047 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 0.204 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 -0.193 53.934 54.000 0.211 0.000 1.028 609 D CB 0.603 41.538 40.800 0.225 0.000 1.093 609 D HN 0.464 nan 8.370 nan 0.000 0.545 610 R N -0.302 120.303 120.500 0.175 0.000 3.213 610 R HA 0.246 4.585 4.340 -0.001 0.000 0.188 610 R C -0.267 176.142 176.300 0.181 0.000 0.931 610 R CA 0.080 56.284 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 -0.843 119.654 120.400 0.162 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 53.459 54.000 0.026 0.000 0.881 611 D CB 1.983 42.684 40.800 -0.166 0.000 1.500 611 D HN 0.243 nan 8.370 nan 0.000 0.458 612 V N 0.160 119.829 119.914 -0.408 0.000 2.483 612 V HA 0.694 4.813 4.120 -0.001 0.000 0.295 612 V C -1.079 174.840 176.094 -0.292 0.000 1.035 612 V CA -0.490 61.659 62.300 -0.251 0.000 0.896 612 V CB 0.758 32.397 31.823 -0.308 0.000 0.986 612 V HN 0.439 nan 8.190 nan 0.000 0.447 613 Y N 2.723 123.130 120.300 0.180 0.000 2.549 613 Y HA 0.580 5.130 4.550 -0.001 0.000 0.339 613 Y C 0.858 176.587 175.900 -0.284 0.000 1.053 613 Y CA -1.077 57.079 58.100 0.094 0.000 1.105 613 Y CB 1.516 40.062 38.460 0.144 0.000 1.258 613 Y HN 0.587 nan 8.280 nan 0.000 0.478 614 L N 1.411 122.284 121.223 -0.584 0.000 2.211 614 L HA -0.243 4.097 4.340 -0.001 0.000 0.216 614 L C 1.708 178.359 176.870 -0.366 0.000 1.092 614 L CA 2.050 56.191 54.840 -1.166 0.000 0.767 614 L CB -0.438 41.006 42.059 -1.025 0.000 0.894 614 L HN 0.825 nan 8.230 nan 0.000 0.437 615 Q N -1.387 118.301 119.800 -0.186 0.000 2.179 615 Q HA 0.305 4.644 4.340 -0.001 0.000 0.213 615 Q C 0.662 176.682 176.000 0.032 0.000 0.833 615 Q CA 0.375 56.167 55.803 -0.019 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 2.279 111.234 108.800 0.259 0.000 2.547 616 G HA2 0.478 4.438 3.960 -0.001 0.000 0.291 616 G HA3 0.478 4.438 3.960 -0.001 0.000 0.291 616 G C -2.716 172.375 174.900 0.320 0.000 1.211 616 G CA -1.253 44.138 45.100 0.486 0.000 0.950 616 G HN 0.059 nan 8.290 nan 0.000 0.504 617 P HA 0.184 nan 4.420 nan 0.000 0.270 617 P C 0.433 177.700 177.300 -0.056 0.000 1.223 617 P CA -0.151 62.951 63.100 0.003 0.000 0.785 617 P CB 1.011 32.722 31.700 0.019 0.000 0.923 618 I N -1.044 119.354 120.570 -0.287 0.000 2.900 618 I HA 0.181 4.351 4.170 -0.001 0.000 0.251 618 I C 0.678 176.983 176.117 0.312 0.000 1.102 618 I CA 0.555 61.748 61.300 -0.179 0.000 1.457 618 I CB -0.297 37.644 38.000 -0.099 0.000 1.285 618 I HN 0.445 nan 8.210 nan 0.000 0.459 619 W N 1.050 122.469 121.300 0.197 0.000 3.207 619 W HA 0.827 5.487 4.660 -0.000 0.000 0.326 619 W C -1.202 175.429 176.519 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 1.327 124.427 122.820 0.468 0.000 2.555 620 A HA 0.450 4.770 4.320 -0.001 0.000 0.297 620 A C -1.555 176.174 177.584 0.242 0.000 1.060 620 A CA -1.091 51.119 52.037 0.288 0.000 0.710 620 A CB 1.470 20.566 19.000 0.159 0.000 1.282 620 A HN 0.699 nan 8.150 nan 0.000 0.399 621 K N 3.540 124.030 120.400 0.151 0.000 2.315 621 K HA 0.365 4.685 4.320 -0.001 0.000 0.291 621 K C -0.482 176.067 176.600 -0.085 0.000 1.074 621 K CA -0.274 55.942 56.287 -0.118 0.000 0.936 621 K CB -0.236 31.976 32.500 -0.480 0.000 1.049 621 K HN 0.615 nan 8.250 nan 0.000 0.471 622 I N 7.582 128.077 120.570 -0.125 0.000 2.742 622 I HA -0.043 4.127 4.170 -0.001 0.000 0.287 622 I C -1.780 174.248 176.117 -0.147 0.000 1.186 622 I CA -1.576 59.628 61.300 -0.160 0.000 1.417 622 I CB 0.097 37.922 38.000 -0.291 0.000 1.377 622 I HN 0.473 nan 8.210 nan 0.000 0.556 623 P HA -0.095 nan 4.420 nan 0.000 0.265 623 P C -0.540 176.822 177.300 0.103 0.000 1.187 623 P CA 0.166 63.293 63.100 0.046 0.000 0.766 623 P CB 0.282 32.036 31.700 0.090 0.000 0.820 624 H N 1.784 120.874 119.070 0.032 0.000 2.982 624 H HA 0.270 4.826 4.556 -0.001 0.000 0.261 624 H C 0.251 175.635 175.328 0.092 0.000 1.603 624 H CA 0.011 56.095 56.048 0.060 0.000 1.398 624 H CB -0.543 29.219 29.762 0.001 0.000 1.693 624 H HN 0.322 nan 8.280 nan 0.000 0.535 625 T N -0.672 113.893 114.554 0.018 0.000 2.870 625 T HA 0.148 4.497 4.350 -0.001 0.000 0.277 625 T C 1.004 175.561 174.700 -0.239 0.000 1.000 625 T CA -0.900 61.161 62.100 -0.066 0.000 0.982 625 T CB 1.173 70.019 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 0.879 176.994 176.300 -0.309 0.000 0.965 626 D CA 1.098 54.981 54.000 -0.194 0.000 0.852 626 D CB -0.166 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 -0.643 107.891 108.800 -0.443 0.000 2.746 627 G HA2 0.496 4.455 3.960 -0.001 0.000 0.297 627 G HA3 0.496 4.455 3.960 -0.001 0.000 0.297 627 G C -1.340 173.203 174.900 -0.594 0.000 1.426 627 G CA -0.688 44.124 45.100 -0.479 0.000 0.989 627 G HN 0.027 nan 8.290 nan 0.000 0.520 628 H N 1.322 120.405 119.070 0.021 0.000 2.928 628 H HA 0.512 5.068 4.556 -0.001 0.000 0.371 628 H C -0.428 174.980 175.328 0.133 0.000 1.186 628 H CA -0.685 55.397 56.048 0.057 0.000 1.134 628 H CB 2.525 32.295 29.762 0.013 0.000 1.824 628 H HN 0.409 nan 8.280 nan 0.000 0.554 629 F N 0.849 120.892 119.950 0.154 0.000 2.324 629 F HA 0.092 4.619 4.527 -0.001 0.000 0.260 629 F C 0.831 176.767 175.800 0.227 0.000 1.073 629 F CA 0.693 58.783 58.000 0.150 0.000 1.073 629 F CB 0.345 39.408 39.000 0.106 0.000 1.114 629 F HN 0.514 nan 8.300 nan 0.000 0.588 630 H N 1.953 121.035 119.070 0.021 0.000 2.439 630 H HA 0.345 4.901 4.556 -0.001 0.000 0.239 630 H C -2.385 173.026 175.328 0.138 0.000 1.432 630 H CA -2.147 53.892 56.048 -0.014 0.000 1.373 630 H CB 0.239 30.113 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 -0.380 176.915 177.300 -0.008 0.000 1.670 631 P CA 0.323 63.415 63.100 -0.013 0.000 1.017 631 P CB -0.337 31.287 31.700 -0.127 0.000 1.945 632 S N 1.902 117.666 115.700 0.107 0.000 2.437 632 S HA 0.502 4.972 4.470 -0.001 0.000 0.305 632 S C -2.499 172.193 174.600 0.152 0.000 1.109 632 S CA -2.107 56.180 58.200 0.145 0.000 1.099 632 S CB 0.270 63.630 63.200 0.267 0.000 1.004 632 S HN -0.025 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 0.206 63.373 63.100 0.113 0.000 0.762 633 P CB 0.281 32.048 31.700 0.112 0.000 0.764 634 L N 2.440 123.728 121.223 0.107 0.000 2.127 634 L HA -0.166 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 1.566 56.470 54.840 0.106 0.000 0.757 634 L CB -0.415 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 -0.862 118.800 119.600 0.103 0.000 2.619 635 M HA 0.140 4.620 4.480 -0.001 0.000 0.251 635 M C 0.726 177.112 176.300 0.144 0.000 1.106 635 M CA 0.502 55.867 55.300 0.109 0.000 1.086 635 M CB -0.016 32.632 32.600 0.080 0.000 1.465 635 M HN 0.335 nan 8.290 nan 0.000 0.506 636 G N -0.142 108.737 108.800 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 -0.366 174.578 174.900 0.074 0.000 1.195 636 G CA -0.628 44.543 45.100 0.119 0.000 0.776 636 G HN 0.732 nan 8.290 nan 0.000 0.654 637 G N -0.548 108.226 108.800 -0.043 0.000 2.297 637 G HA2 0.451 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 -0.649 174.078 174.900 -0.287 0.000 1.267 637 G CA -0.080 44.905 45.100 -0.191 0.000 1.127 637 G HN 1.625 nan 8.290 nan 0.000 0.498 638 F N 1.967 122.058 119.950 0.234 0.000 2.388 638 F HA 0.568 5.095 4.527 -0.001 0.000 0.358 638 F C 1.130 177.043 175.800 0.187 0.000 1.122 638 F CA 0.069 58.180 58.000 0.185 0.000 1.056 638 F CB 2.015 41.114 39.000 0.166 0.000 1.155 638 F HN 0.712 nan 8.300 nan 0.000 0.461 639 G N 5.178 114.133 108.800 0.258 0.000 2.360 639 G HA2 0.515 4.475 3.960 -0.001 0.000 0.279 639 G HA3 0.515 4.475 3.960 -0.001 0.000 0.279 639 G C -0.821 174.149 174.900 0.117 0.000 1.189 639 G CA -0.417 44.774 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 1.156 177.946 176.870 -0.133 0.000 0.996 640 L CA -1.114 53.749 54.840 0.038 0.000 0.822 640 L CB 2.218 44.352 42.059 0.125 0.000 1.256 640 L HN 0.425 nan 8.230 nan 0.000 0.413 641 K N 1.037 121.312 120.400 -0.208 0.000 2.026 641 K HA -0.034 4.285 4.320 -0.001 0.000 0.208 641 K C 0.324 176.468 176.600 -0.759 0.000 1.048 641 K CA 1.351 57.357 56.287 -0.468 0.000 0.929 641 K CB 0.044 32.267 32.500 -0.462 0.000 0.713 641 K HN 0.541 nan 8.250 nan 0.000 0.439 642 H N 0.583 119.528 119.070 -0.208 0.000 2.645 642 H HA 0.312 4.867 4.556 -0.001 0.000 0.257 642 H C -2.414 172.915 175.328 0.001 0.000 1.269 642 H CA -2.229 53.667 56.048 -0.253 0.000 1.409 642 H CB 1.147 30.907 29.762 -0.003 0.000 1.434 642 H HN 0.058 nan 8.280 nan 0.000 0.505 643 P HA 0.195 nan 4.420 nan 0.000 0.281 643 P C -2.647 174.447 177.300 -0.343 0.000 1.264 643 P CA -2.155 60.842 63.100 -0.172 0.000 0.824 643 P CB 0.268 31.893 31.700 -0.124 0.000 1.092 644 P HA -0.031 nan 4.420 nan 0.000 0.251 644 P C -2.006 175.098 177.300 -0.326 0.000 1.154 644 P CA -0.082 62.319 63.100 -1.166 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 -0.305 176.864 177.300 -0.217 0.000 1.221 645 P CA 0.291 63.286 63.100 -0.175 0.000 0.788 645 P CB 0.656 32.129 31.700 -0.379 0.000 0.904 646 Q N 0.495 120.138 119.800 -0.261 0.000 2.286 646 Q HA 0.345 4.684 4.340 -0.001 0.000 0.257 646 Q C -0.459 175.201 176.000 -0.568 0.000 0.941 646 Q CA -0.389 55.172 55.803 -0.404 0.000 0.912 646 Q CB 0.295 28.746 28.738 -0.479 0.000 1.192 646 Q HN 0.314 nan 8.270 nan 0.000 0.410 647 I N 3.111 123.380 120.570 -0.500 0.000 2.307 647 I HA 0.199 4.369 4.170 -0.001 0.000 0.289 647 I C -0.419 175.452 176.117 -0.410 0.000 1.021 647 I CA -0.147 60.811 61.300 -0.569 0.000 1.224 647 I CB 0.806 38.404 38.000 -0.670 0.000 1.376 647 I HN 0.499 nan 8.210 nan 0.000 0.470 648 M N 6.646 125.838 119.600 -0.680 0.000 2.359 648 M HA 0.609 5.089 4.480 -0.001 0.000 0.322 648 M C -0.740 175.525 176.300 -0.058 0.000 1.166 648 M CA -0.354 54.663 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 2.260 122.964 120.570 0.223 0.000 2.775 649 I HA 0.684 4.854 4.170 -0.001 0.000 0.295 649 I C -1.844 174.302 176.117 0.049 0.000 1.287 649 I CA -0.234 61.149 61.300 0.138 0.000 1.029 649 I CB 1.695 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 0.548 4.868 4.320 -0.001 0.000 0.271 650 K C -2.010 174.413 176.600 -0.295 0.000 0.947 650 K CA -0.698 55.337 56.287 -0.419 0.000 0.854 650 K CB 0.610 32.428 32.500 -1.137 0.000 1.401 650 K HN 0.326 nan 8.250 nan 0.000 0.415 651 N N 1.189 119.781 118.700 -0.179 0.000 2.442 651 N HA 0.177 4.917 4.740 -0.001 0.000 0.265 651 N C -0.870 174.563 175.510 -0.128 0.000 1.138 651 N CA -0.317 52.680 53.050 -0.090 0.000 0.956 651 N CB 1.087 39.569 38.487 -0.009 0.000 1.067 651 N HN 0.655 nan 8.380 nan 0.000 0.474 652 T N 4.070 118.550 114.554 -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 -0.595 61.414 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 0.137 nan 4.420 nan 0.000 0.263 653 P C -0.820 176.259 177.300 -0.367 0.000 1.195 653 P CA -0.142 62.494 63.100 -0.773 0.000 0.762 653 P CB 0.379 31.419 31.700 -1.101 0.000 0.799 654 V N 7.250 127.047 119.914 -0.194 0.000 2.334 654 V HA 0.266 4.386 4.120 -0.001 0.000 0.281 654 V C -2.110 174.114 176.094 0.217 0.000 1.016 654 V CA -2.158 60.149 62.300 0.011 0.000 0.832 654 V CB 1.460 33.299 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 0.457 63.625 63.100 0.114 0.000 0.762 655 P CB 0.688 32.202 31.700 -0.309 0.000 0.799 656 A N 4.368 127.319 122.820 0.218 0.000 2.404 656 A HA 0.035 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 52.078 52.037 0.155 0.000 0.847 656 A CB -0.350 18.719 19.000 0.114 0.000 1.473 656 A HN 0.596 nan 8.150 nan 0.000 0.602 657 N N 0.804 119.567 118.700 0.105 0.000 2.470 657 N HA 0.299 5.039 4.740 -0.001 0.000 0.268 657 N C -2.605 172.974 175.510 0.115 0.000 1.136 657 N CA -0.882 52.222 53.050 0.091 0.000 0.961 657 N CB 0.309 38.825 38.487 0.048 0.000 1.067 657 N HN 0.236 nan 8.380 nan 0.000 0.468 658 P HA 0.487 nan 4.420 nan 0.000 0.287 658 P C -2.632 174.714 177.300 0.077 0.000 1.270 658 P CA -1.252 61.949 63.100 0.169 0.000 0.844 658 P CB 0.291 32.124 31.700 0.221 0.000 1.068 659 P HA 0.230 nan 4.420 nan 0.000 0.277 659 P C 0.532 177.863 177.300 0.052 0.000 1.240 659 P CA -0.204 62.910 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 -1.230 113.349 114.554 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 1.244 63.375 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 1.030 115.622 114.554 0.063 0.000 2.867 661 T HA 0.485 4.835 4.350 -0.001 0.000 0.282 661 T C -0.739 174.035 174.700 0.123 0.000 1.000 661 T CA -0.972 61.180 62.100 0.087 0.000 1.042 661 T CB 0.255 69.154 68.868 0.051 0.000 0.973 661 T HN 0.132 nan 8.240 nan 0.000 0.465 662 F N 4.257 124.219 119.950 0.021 0.000 2.484 662 F HA 0.494 5.020 4.527 -0.001 0.000 0.360 662 F C 0.332 176.146 175.800 0.023 0.000 1.101 662 F CA -0.045 57.973 58.000 0.029 0.000 1.251 662 F CB 0.641 39.658 39.000 0.029 0.000 1.132 662 F HN 0.448 nan 8.300 nan 0.000 0.570 663 S N 6.930 122.124 115.700 -0.843 0.000 2.605 663 S HA 0.509 4.979 4.470 -0.001 0.000 0.308 663 S C -1.902 172.144 174.600 -0.924 0.000 1.113 663 S CA -1.283 56.498 58.200 -0.699 0.000 1.049 663 S CB 1.407 64.405 63.200 -0.337 0.000 1.001 663 S HN 0.532 nan 8.310 nan 0.000 0.480 664 P HA 0.223 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 0.150 63.051 63.100 -0.332 0.000 0.773 664 P CB -0.042 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 0.028 4.348 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 -0.211 51.766 52.037 -0.100 0.000 0.760 665 A CB -0.304 18.619 19.000 -0.127 0.000 0.995 665 A HN 0.066 nan 8.150 nan 0.000 0.501 666 K N 1.666 122.067 120.400 0.003 0.000 2.524 666 K HA 0.017 4.337 4.320 -0.001 0.000 0.279 666 K C -0.825 175.809 176.600 0.056 0.000 0.993 666 K CA 0.233 56.565 56.287 0.074 0.000 1.030 666 K CB 0.057 32.613 32.500 0.093 0.000 0.891 666 K HN 0.497 nan 8.250 nan 0.000 0.488 667 F N 2.988 122.940 119.950 0.002 0.000 2.456 667 F HA 0.243 4.770 4.527 -0.001 0.000 0.358 667 F C 0.707 176.422 175.800 -0.142 0.000 1.095 667 F CA 0.765 58.705 58.000 -0.100 0.000 1.216 667 F CB 1.212 40.165 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 0.128 177.474 177.584 -0.397 0.000 1.144 668 A CA 0.025 51.942 52.037 -0.199 0.000 0.985 668 A CB -0.123 18.862 19.000 -0.025 0.000 1.256 668 A HN 0.480 nan 8.150 nan 0.000 0.598 669 S N 0.712 116.008 115.700 -0.675 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 -0.540 62.450 63.200 -0.350 0.000 1.006 669 S HN 0.202 nan 8.310 nan 0.000 0.487 670 F N 3.054 123.131 119.950 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 1.499 122.262 120.570 0.322 0.000 2.471 671 I HA 0.113 4.283 4.170 -0.001 0.000 0.286 671 I C 0.349 176.590 176.117 0.207 0.000 1.079 671 I CA -0.361 61.059 61.300 0.200 0.000 1.398 671 I CB 0.913 38.994 38.000 0.135 0.000 1.403 671 I HN 0.604 nan 8.210 nan 0.000 0.530 672 T N 4.490 119.138 114.554 0.157 0.000 2.814 672 T HA 0.395 4.745 4.350 -0.001 0.000 0.297 672 T C -0.381 174.390 174.700 0.118 0.000 0.956 672 T CA -0.639 61.540 62.100 0.132 0.000 1.123 672 T CB 0.767 69.691 68.868 0.094 0.000 0.902 672 T HN 0.732 nan 8.240 nan 0.000 0.528 673 Q N 2.308 122.180 119.800 0.119 0.000 2.472 673 Q HA 0.563 4.903 4.340 -0.001 0.000 0.281 673 Q C -1.774 174.305 176.000 0.132 0.000 0.997 673 Q CA -1.355 54.505 55.803 0.096 0.000 0.828 673 Q CB 1.493 30.249 28.738 0.029 0.000 1.443 673 Q HN 0.863 nan 8.270 nan 0.000 0.390 674 Y N -1.142 119.149 120.300 -0.015 0.000 2.545 674 Y HA 0.836 5.386 4.550 -0.001 0.000 0.348 674 Y C -0.847 175.058 175.900 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 1.073 116.832 115.700 0.099 0.000 2.621 675 S HA 0.849 5.319 4.470 -0.001 0.000 0.302 675 S C -0.649 174.036 174.600 0.142 0.000 1.093 675 S CA -0.460 57.790 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 -0.453 114.006 114.554 -0.159 0.000 2.853 676 T HA 0.760 5.109 4.350 -0.001 0.000 0.311 676 T C -0.347 173.658 174.700 -1.160 0.000 1.307 676 T CA 0.270 61.950 62.100 -0.699 0.000 1.019 676 T CB 1.058 69.720 68.868 -0.344 0.000 1.264 676 T HN 1.737 nan 8.240 nan 0.000 0.497 677 G N 1.799 109.452 108.800 -1.911 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 -1.328 0.000 1.274 677 G CA -0.666 43.694 45.100 -1.233 0.000 0.857 677 G HN 0.768 nan 8.290 nan 0.000 0.499 678 Q N -1.350 118.047 119.800 -0.672 0.000 2.248 678 Q HA 0.757 5.097 4.340 -0.001 0.000 0.263 678 Q C -0.570 175.210 176.000 -0.366 0.000 1.007 678 Q CA -0.729 54.720 55.803 -0.590 0.000 0.877 678 Q CB 2.539 30.789 28.738 -0.814 0.000 1.315 678 Q HN 0.973 nan 8.270 nan 0.000 0.454 679 V N 0.209 120.034 119.914 -0.147 0.000 2.841 679 V HA 0.830 4.950 4.120 -0.001 0.000 0.310 679 V C -1.595 174.397 176.094 -0.170 0.000 1.090 679 V CA -0.318 61.873 62.300 -0.181 0.000 0.930 679 V CB 2.343 34.115 31.823 -0.085 0.000 1.014 679 V HN 0.692 nan 8.190 nan 0.000 0.425 680 S N 4.313 119.900 115.700 -0.189 0.000 2.557 680 S HA 0.817 5.286 4.470 -0.001 0.000 0.291 680 S C -1.476 172.955 174.600 -0.281 0.000 1.116 680 S CA -0.453 57.665 58.200 -0.137 0.000 0.992 680 S CB 1.594 64.832 63.200 0.064 0.000 1.028 680 S HN 0.877 nan 8.310 nan 0.000 0.484 681 V N 4.959 124.738 119.914 -0.225 0.000 2.443 681 V HA 0.498 4.618 4.120 -0.001 0.000 0.293 681 V C -0.232 175.784 176.094 -0.129 0.000 1.021 681 V CA -0.651 61.513 62.300 -0.228 0.000 0.848 681 V CB 1.480 33.022 31.823 -0.468 0.000 0.998 681 V HN 0.902 nan 8.190 nan 0.000 0.424 682 E N 5.478 125.613 120.200 -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 -0.083 0.000 0.936 682 E CA -0.519 55.829 56.400 -0.086 0.000 0.777 682 E CB 1.423 31.057 29.700 -0.109 0.000 1.108 682 E HN 0.647 nan 8.360 nan 0.000 0.401 683 I N 3.528 124.053 120.570 -0.075 0.000 2.498 683 I HA 0.270 4.440 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 60.397 61.300 -0.168 0.000 1.073 683 I CB 2.063 39.912 38.000 -0.252 0.000 1.251 683 I HN 0.554 nan 8.210 nan 0.000 0.426 684 E N 5.211 125.230 120.200 -0.302 0.000 2.231 684 E HA 0.373 4.723 4.350 -0.001 0.000 0.277 684 E C -1.935 174.424 176.600 -0.400 0.000 0.999 684 E CA -0.585 55.691 56.400 -0.207 0.000 0.827 684 E CB 1.306 30.934 29.700 -0.120 0.000 1.101 684 E HN 0.405 nan 8.360 nan 0.000 0.393 685 W N 2.730 124.019 121.300 -0.017 0.000 2.683 685 W HA 0.287 4.947 4.660 -0.001 0.000 0.329 685 W C -0.201 176.364 176.519 0.076 0.000 1.037 685 W CA -0.700 56.676 57.345 0.052 0.000 1.232 685 W CB 1.251 30.805 29.460 0.157 0.000 1.390 685 W HN 0.459 nan 8.180 nan 0.000 0.465 686 E N 3.253 123.602 120.200 0.248 0.000 2.331 686 E HA 0.473 4.823 4.350 -0.001 0.000 0.272 686 E C -0.901 175.978 176.600 0.464 0.000 1.036 686 E CA -0.285 56.270 56.400 0.258 0.000 0.864 686 E CB 0.824 30.599 29.700 0.126 0.000 1.035 686 E HN 0.461 nan 8.360 nan 0.000 0.408 687 L N 3.295 124.796 121.223 0.463 0.000 2.342 687 L HA 0.362 4.702 4.340 -0.001 0.000 0.271 687 L C -0.299 176.810 176.870 0.399 0.000 1.008 687 L CA -0.765 54.376 54.840 0.501 0.000 0.818 687 L CB 1.921 44.200 42.059 0.365 0.000 1.296 687 L HN 0.545 nan 8.230 nan 0.000 0.427 688 Q N 3.096 123.061 119.800 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 29.622 28.738 -0.469 0.000 1.226 688 Q HN 0.343 nan 8.270 nan 0.000 0.476 689 K N 1.836 122.198 120.400 -0.062 0.000 2.230 689 K HA 0.050 4.369 4.320 -0.001 0.000 0.253 689 K C -0.099 176.244 176.600 -0.429 0.000 1.008 689 K CA -0.003 56.189 56.287 -0.158 0.000 0.910 689 K CB 0.657 33.074 32.500 -0.139 0.000 0.994 689 K HN 0.656 nan 8.250 nan 0.000 0.495 690 E N 1.983 121.816 120.200 -0.612 0.000 2.200 690 E HA 0.035 4.384 4.350 -0.001 0.000 0.283 690 E C -1.018 175.004 176.600 -0.963 0.000 1.015 690 E CA -0.207 55.413 56.400 -1.301 0.000 0.819 690 E CB 0.557 29.627 29.700 -1.051 0.000 1.081 690 E HN 0.356 nan 8.360 nan 0.000 0.397 691 N N 2.948 121.014 118.700 -1.057 0.000 2.762 691 N HA 0.115 4.855 4.740 -0.001 0.000 0.252 691 N C -1.840 173.568 175.510 -0.170 0.000 1.269 691 N CA -0.222 52.577 53.050 -0.419 0.000 0.799 691 N CB 0.967 39.318 38.487 -0.228 0.000 1.173 691 N HN 0.232 nan 8.380 nan 0.000 0.516 692 S N 1.097 116.706 115.700 -0.152 0.000 2.513 692 S HA 0.444 4.913 4.470 -0.001 0.000 0.299 692 S C 0.068 174.689 174.600 0.036 0.000 1.087 692 S CA -0.616 57.626 58.200 0.070 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 2.365 122.813 120.400 0.079 0.000 2.493 693 K HA 0.156 4.475 4.320 -0.001 0.000 0.207 693 K C 0.269 176.944 176.600 0.125 0.000 1.033 693 K CA -0.264 56.074 56.287 0.084 0.000 1.161 693 K CB -0.134 32.417 32.500 0.085 0.000 0.873 693 K HN 0.555 nan 8.250 nan 0.000 0.491 694 R N 0.966 121.537 120.500 0.119 0.000 2.502 694 R HA -0.109 4.231 4.340 -0.001 0.000 0.292 694 R C 1.082 177.474 176.300 0.152 0.000 0.998 694 R CA 0.238 56.422 56.100 0.140 0.000 1.056 694 R CB 0.066 30.439 30.300 0.121 0.000 0.939 694 R HN 0.297 nan 8.270 nan 0.000 0.411 695 W N 5.831 127.145 121.300 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 0.755 nan 8.180 nan 0.000 0.498 696 N N 2.065 120.887 118.700 0.205 0.000 2.444 696 N HA 0.090 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 -1.051 52.050 53.050 0.086 0.000 0.933 696 N CB -0.610 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 0.077 nan 4.420 nan 0.000 0.267 697 P C -0.197 177.121 177.300 0.029 0.000 1.200 697 P CA 0.271 63.362 63.100 -0.016 0.000 0.772 697 P CB 0.553 32.242 31.700 -0.019 0.000 0.855 698 E N 1.344 121.569 120.200 0.042 0.000 2.292 698 E HA 0.367 4.717 4.350 -0.001 0.000 0.258 698 E C 0.288 176.941 176.600 0.088 0.000 1.115 698 E CA -0.996 55.451 56.400 0.078 0.000 0.929 698 E CB 0.812 30.578 29.700 0.110 0.000 1.161 698 E HN 0.439 nan 8.360 nan 0.000 0.453 699 I N -1.202 119.438 120.570 0.117 0.000 2.519 699 I HA 0.198 4.367 4.170 -0.001 0.000 0.287 699 I C -0.350 175.927 176.117 0.267 0.000 1.047 699 I CA -0.484 60.907 61.300 0.151 0.000 1.381 699 I CB 0.651 38.721 38.000 0.117 0.000 1.417 699 I HN 0.169 nan 8.210 nan 0.000 0.540 700 Q N 4.681 124.632 119.800 0.251 0.000 2.394 700 Q HA 0.304 4.643 4.340 -0.001 0.000 0.273 700 Q C -1.406 174.732 176.000 0.229 0.000 1.089 700 Q CA -0.796 55.138 55.803 0.217 0.000 0.812 700 Q CB 2.823 31.604 28.738 0.071 0.000 1.353 700 Q HN 0.791 nan 8.270 nan 0.000 0.438 701 Y N 0.995 121.185 120.300 -0.182 0.000 2.346 701 Y HA 0.295 4.844 4.550 -0.001 0.000 0.330 701 Y C -0.115 175.764 175.900 -0.035 0.000 1.178 701 Y CA 0.865 58.871 58.100 -0.155 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 3.630 117.779 114.554 -0.675 0.000 2.840 702 T HA 0.432 4.782 4.350 -0.001 0.000 0.317 702 T C -1.241 173.223 174.700 -0.394 0.000 1.401 702 T CA -0.753 61.151 62.100 -0.328 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 2.047 117.694 115.700 -0.090 0.000 2.586 703 S HA 0.378 4.847 4.470 -0.001 0.000 0.274 703 S C 0.103 174.729 174.600 0.044 0.000 1.281 703 S CA -0.631 57.575 58.200 0.009 0.000 1.035 703 S CB 0.185 63.449 63.200 0.106 0.000 0.962 703 S HN 0.713 nan 8.310 nan 0.000 0.512 704 N N 1.932 120.661 118.700 0.048 0.000 2.427 704 N HA 0.054 4.794 4.740 -0.001 0.000 0.269 704 N C 0.649 176.205 175.510 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 1.093 121.391 120.300 -0.004 0.000 2.639 705 Y HA 0.079 4.629 4.550 -0.001 0.000 0.297 705 Y C 0.061 175.964 175.900 0.004 0.000 1.151 705 Y CA -0.514 57.588 58.100 0.003 0.000 1.335 705 Y CB -0.159 38.301 38.460 0.000 0.000 0.994 705 Y HN 0.313 nan 8.280 nan 0.000 0.548 706 N N 2.533 120.871 118.700 -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 52.524 53.050 -0.540 0.000 0.913 706 N CB 0.515 38.747 38.487 -0.425 0.000 1.129 706 N HN 0.317 nan 8.380 nan 0.000 0.444 707 K N 0.554 120.850 120.400 -0.175 0.000 2.453 707 K HA 0.003 4.323 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 0.362 56.594 56.287 -0.093 0.000 1.059 707 K CB 0.216 32.674 32.500 -0.072 0.000 0.901 707 K HN 0.453 nan 8.250 nan 0.000 0.475 708 S N 2.785 118.454 115.700 -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 -0.044 0.000 0.931 708 S CB 1.581 64.760 63.200 -0.036 0.000 1.093 708 S HN 0.366 nan 8.310 nan 0.000 0.488 709 V N 3.231 123.124 119.914 -0.034 0.000 2.238 709 V HA -0.009 4.111 4.120 -0.001 0.000 0.235 709 V C 0.797 176.874 176.094 -0.029 0.000 1.037 709 V CA 1.485 63.766 62.300 -0.032 0.000 0.991 709 V CB -0.866 30.935 31.823 -0.037 0.000 0.638 709 V HN 0.837 nan 8.190 nan 0.000 0.457 710 N N -0.897 117.781 118.700 -0.036 0.000 2.472 710 N HA 0.477 5.216 4.740 -0.001 0.000 0.289 710 N C -1.030 174.464 175.510 -0.026 0.000 1.156 710 N CA -0.601 52.427 53.050 -0.036 0.000 0.940 710 N CB 1.971 40.423 38.487 -0.058 0.000 1.200 710 N HN 0.084 nan 8.380 nan 0.000 0.511 711 V N 1.380 121.289 119.914 -0.009 0.000 2.530 711 V HA 0.043 4.163 4.120 -0.001 0.000 0.282 711 V C -0.064 176.042 176.094 0.020 0.000 1.048 711 V CA -0.433 61.881 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 4.649 125.084 120.400 0.058 0.000 2.487 712 D HA 0.105 4.745 4.640 -0.001 0.000 0.243 712 D C 0.110 176.533 176.300 0.206 0.000 1.154 712 D CA 0.680 54.715 54.000 0.057 0.000 0.876 712 D CB 0.014 40.939 40.800 0.208 0.000 1.161 712 D HN 0.484 nan 8.370 nan 0.000 0.478 713 F N 0.020 119.920 119.950 -0.083 0.000 2.563 713 F HA -0.266 4.261 4.527 -0.001 0.000 0.351 713 F C 0.314 176.094 175.800 -0.033 0.000 1.086 713 F CA 0.350 58.264 58.000 -0.143 0.000 1.174 713 F CB -1.737 37.302 39.000 0.065 0.000 1.590 713 F HN 0.165 nan 8.300 nan 0.000 0.808 714 T N -0.761 113.723 114.554 -0.117 0.000 2.786 714 T HA 0.607 4.957 4.350 -0.001 0.000 0.316 714 T C -0.174 174.457 174.700 -0.115 0.000 1.503 714 T CA -0.464 61.650 62.100 0.023 0.000 1.019 714 T CB 1.929 70.825 68.868 0.046 0.000 1.415 714 T HN 0.495 nan 8.240 nan 0.000 0.496 715 V N 0.358 120.211 119.914 -0.101 0.000 3.185 715 V HA 0.637 4.757 4.120 -0.001 0.000 0.305 715 V C 0.234 176.273 176.094 -0.091 0.000 1.090 715 V CA -0.374 61.842 62.300 -0.141 0.000 1.107 715 V CB 0.396 32.111 31.823 -0.181 0.000 1.061 715 V HN 0.996 nan 8.190 nan 0.000 0.480 716 D N 1.074 121.425 120.400 -0.082 0.000 2.509 716 D HA 0.244 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 0.360 54.323 54.000 -0.061 0.000 1.098 716 D CB -0.251 40.509 40.800 -0.067 0.000 1.177 716 D HN 0.687 nan 8.370 nan 0.000 0.599 717 T N -2.965 111.569 114.554 -0.033 0.000 2.915 717 T HA -0.121 4.228 4.350 -0.001 0.000 0.269 717 T C 0.685 175.374 174.700 -0.018 0.000 1.071 717 T CA 1.276 63.363 62.100 -0.022 0.000 1.132 717 T CB -0.770 68.086 68.868 -0.021 0.000 0.878 717 T HN 0.543 nan 8.240 nan 0.000 0.479 718 N N 0.257 118.945 118.700 -0.021 0.000 2.291 718 N HA 0.413 5.153 4.740 -0.001 0.000 0.244 718 N C 0.715 176.217 175.510 -0.013 0.000 1.216 718 N CA -0.165 52.876 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 0.500 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 45.082 45.100 -0.023 0.000 1.122 719 G HN 0.342 nan 8.290 nan 0.000 0.522 720 V N 1.899 121.781 119.914 -0.053 0.000 2.488 720 V HA 0.412 4.532 4.120 -0.001 0.000 0.293 720 V C 0.018 176.068 176.094 -0.074 0.000 1.027 720 V CA -1.343 60.932 62.300 -0.042 0.000 0.862 720 V CB 1.516 33.319 31.823 -0.034 0.000 1.008 720 V HN 0.563 nan 8.190 nan 0.000 0.428 721 Y N 4.416 124.584 120.300 -0.220 0.000 2.511 721 Y HA 0.462 5.011 4.550 -0.001 0.000 0.332 721 Y C 0.718 176.533 175.900 -0.142 0.000 1.177 721 Y CA 0.264 58.211 58.100 -0.254 0.000 1.422 721 Y CB 1.016 39.301 38.460 -0.291 0.000 1.271 721 Y HN 0.729 nan 8.280 nan 0.000 0.550 722 S N 4.371 119.634 115.700 -0.729 0.000 2.619 722 S HA 0.413 4.882 4.470 -0.001 0.000 0.280 722 S C -1.506 172.640 174.600 -0.756 0.000 1.150 722 S CA -1.196 56.672 58.200 -0.553 0.000 0.978 722 S CB 1.403 64.396 63.200 -0.344 0.000 1.041 722 S HN 0.675 nan 8.310 nan 0.000 0.485 723 E N 3.095 122.960 120.200 -0.559 0.000 2.001 723 E HA 0.217 4.567 4.350 -0.001 0.000 0.279 723 E C -1.855 174.389 176.600 -0.593 0.000 1.045 723 E CA -2.001 54.037 56.400 -0.603 0.000 0.833 723 E CB 0.458 30.043 29.700 -0.191 0.000 1.077 723 E HN 0.355 nan 8.360 nan 0.000 0.397 724 P HA -0.216 nan 4.420 nan 0.000 0.208 724 P C 0.203 177.340 177.300 -0.272 0.000 1.180 724 P CA 1.519 64.322 63.100 -0.495 0.000 0.935 724 P CB 0.182 31.559 31.700 -0.537 0.000 0.785 725 R N -1.610 118.780 120.500 -0.184 0.000 2.892 725 R HA 0.616 4.955 4.340 -0.001 0.000 0.265 725 R C -2.948 173.407 176.300 0.092 0.000 1.025 725 R CA -2.322 53.787 56.100 0.014 0.000 0.982 725 R CB 0.097 30.470 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 0.524 32.251 31.700 0.044 0.000 0.951 727 I N 1.878 122.643 120.570 0.325 0.000 2.382 727 I HA 0.302 4.472 4.170 -0.001 0.000 0.286 727 I C 1.167 177.645 176.117 0.600 0.000 1.002 727 I CA -0.313 61.215 61.300 0.379 0.000 1.135 727 I CB 0.751 38.848 38.000 0.162 0.000 1.288 727 I HN 0.418 nan 8.210 nan 0.000 0.448 728 G N 3.529 112.681 108.800 0.586 0.000 2.631 728 G HA2 0.223 4.183 3.960 -0.001 0.000 0.271 728 G HA3 0.223 4.183 3.960 -0.001 0.000 0.271 728 G C 0.545 175.615 174.900 0.284 0.000 1.302 728 G CA 0.145 45.461 45.100 0.360 0.000 1.002 728 G HN 0.577 nan 8.290 nan 0.000 0.519 729 T N -1.402 113.243 114.554 0.150 0.000 2.986 729 T HA 0.176 4.526 4.350 -0.001 0.000 0.264 729 T C 0.911 175.721 174.700 0.183 0.000 0.964 729 T CA -0.222 61.944 62.100 0.108 0.000 0.895 729 T CB 0.022 68.960 68.868 0.117 0.000 1.163 729 T HN 0.362 nan 8.240 nan 0.000 0.517 730 R N 1.205 121.801 120.500 0.160 0.000 2.391 730 R HA 0.344 4.684 4.340 -0.001 0.000 0.310 730 R C -0.591 175.745 176.300 0.059 0.000 1.174 730 R CA -0.167 55.963 56.100 0.051 0.000 1.118 730 R CB 0.374 30.611 30.300 -0.105 0.000 1.134 730 R HN 0.327 nan 8.270 nan 0.000 0.524 731 Y N 0.598 120.923 120.300 0.041 0.000 2.452 731 Y HA 0.238 4.787 4.550 -0.001 0.000 0.262 731 Y C 0.464 176.419 175.900 0.092 0.000 1.089 731 Y CA -0.068 58.076 58.100 0.073 0.000 1.262 731 Y CB 0.880 39.392 38.460 0.086 0.000 1.236 731 Y HN 0.244 nan 8.280 nan 0.000 0.512 732 L N 0.733 122.116 121.223 0.268 0.000 2.334 732 L HA 0.468 4.807 4.340 -0.001 0.000 0.275 732 L C 0.169 177.137 176.870 0.163 0.000 1.036 732 L CA -0.764 54.261 54.840 0.309 0.000 0.807 732 L CB 1.563 43.968 42.059 0.576 0.000 1.231 732 L HN 0.007 nan 8.230 nan 0.000 0.438 733 T N -0.232 114.422 114.554 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 70.937 68.868 0.069 0.000 0.939 733 T HN 0.592 nan 8.240 nan 0.000 0.449 734 R N 2.089 122.402 120.500 -0.312 0.000 2.807 734 R HA 0.476 4.816 4.340 -0.001 0.000 0.276 734 R C -0.729 175.500 176.300 -0.118 0.000 0.979 734 R CA -0.677 55.188 56.100 -0.392 0.000 0.928 734 R CB 1.448 31.114 30.300 -1.056 0.000 1.191 734 R HN 0.712 nan 8.270 nan 0.000 0.471 735 N N 0.954 119.623 118.700 -0.052 0.000 2.374 735 N HA 0.344 5.084 4.740 -0.001 0.000 0.284 735 N C -0.219 175.322 175.510 0.052 0.000 1.280 735 N CA -0.269 52.796 53.050 0.025 0.000 0.963 735 N CB 0.327 38.822 38.487 0.013 0.000 1.141 735 N HN 0.361 nan 8.380 nan 0.000 0.565 736 L N 0.000 121.220 121.223 -0.006 0.000 2.949 736 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 736 L CA 0.000 54.781 54.840 -0.098 0.000 0.813 736 L CB 0.000 41.953 42.059 -0.178 0.000 0.961 736 L HN 0.000 nan 8.230 nan 0.000 0.502