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_E 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 0.807 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 1.561 20.581 19.000 0.032 0.000 1.248 218 A HN 0.515 nan 8.150 nan 0.000 0.424 219 D N 0.550 120.973 120.400 0.038 0.000 2.989 219 D HA 0.694 5.334 4.640 -0.001 0.000 0.284 219 D C 0.675 176.995 176.300 0.034 0.000 1.212 219 D CA 0.279 54.299 54.000 0.033 0.000 1.055 219 D CB 1.317 42.137 40.800 0.033 0.000 1.351 219 D HN 0.676 nan 8.370 nan 0.000 0.611 220 G N -0.707 108.112 108.800 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 0.812 175.730 174.900 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 0.472 120.400 119.914 0.023 0.000 2.273 221 V HA 0.110 4.229 4.120 -0.001 0.000 0.242 221 V C 2.375 178.481 176.094 0.020 0.000 1.035 221 V CA 1.855 64.167 62.300 0.021 0.000 1.013 221 V CB -0.663 31.168 31.823 0.014 0.000 0.652 221 V HN 0.731 nan 8.190 nan 0.000 0.452 222 G N 1.187 109.997 108.800 0.017 0.000 3.709 222 G HA2 0.234 4.194 3.960 -0.001 0.000 0.272 222 G HA3 0.234 4.194 3.960 -0.001 0.000 0.272 222 G C -0.121 174.790 174.900 0.020 0.000 1.259 222 G CA 0.011 45.120 45.100 0.015 0.000 1.512 222 G HN 0.426 nan 8.290 nan 0.000 0.625 223 N N 0.147 118.863 118.700 0.027 0.000 2.571 223 N HA 0.215 4.955 4.740 -0.001 0.000 0.286 223 N C -0.039 175.499 175.510 0.047 0.000 1.138 223 N CA -0.525 52.544 53.050 0.031 0.000 0.859 223 N CB 1.337 39.840 38.487 0.027 0.000 1.414 223 N HN 0.067 nan 8.380 nan 0.000 0.529 224 S N 1.654 117.386 115.700 0.053 0.000 2.544 224 S HA 0.035 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 -0.107 58.143 58.200 0.084 0.000 1.075 224 S CB 0.380 63.633 63.200 0.089 0.000 0.849 224 S HN 0.561 nan 8.310 nan 0.000 0.494 225 S N 1.737 117.518 115.700 0.134 0.000 2.743 225 S HA 0.542 5.012 4.470 -0.001 0.000 0.230 225 S C 0.717 175.365 174.600 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 1.525 nan 8.310 nan 0.000 0.487 226 G N 0.297 109.103 108.800 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 -1.803 172.965 174.900 -0.221 0.000 1.498 226 G CA -1.090 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 -0.710 117.809 118.700 -0.303 0.000 2.471 227 N HA 0.427 5.167 4.740 -0.001 0.000 0.288 227 N C -0.780 174.728 175.510 -0.003 0.000 1.220 227 N CA -0.851 52.147 53.050 -0.087 0.000 0.893 227 N CB 1.998 40.387 38.487 -0.165 0.000 1.256 227 N HN 0.536 nan 8.380 nan 0.000 0.534 228 W N 2.786 124.023 121.300 -0.106 0.000 2.365 228 W HA 0.141 4.801 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 0.003 57.341 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 4.867 123.861 119.070 -0.126 0.000 2.787 229 H HA 0.181 4.737 4.556 -0.001 0.000 0.275 229 H C -0.191 175.021 175.328 -0.194 0.000 1.183 229 H CA -0.034 55.951 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 4.467 123.770 119.300 0.005 0.000 2.547 230 C HA 0.354 4.814 4.460 -0.001 0.000 0.327 230 C C -0.888 174.146 174.990 0.073 0.000 1.076 230 C CA -0.357 58.662 59.018 0.002 0.000 1.390 230 C CB -0.408 27.348 27.740 0.028 0.000 1.918 230 C HN 0.929 nan 8.230 nan 0.000 0.438 231 D N 2.153 122.575 120.400 0.037 0.000 2.710 231 D HA 0.642 5.281 4.640 -0.001 0.000 0.276 231 D C -1.277 175.016 176.300 -0.011 0.000 1.267 231 D CA 0.158 54.180 54.000 0.037 0.000 0.772 231 D CB 2.108 42.943 40.800 0.059 0.000 1.299 231 D HN 0.627 nan 8.370 nan 0.000 0.421 232 S N 0.813 116.503 115.700 -0.016 0.000 2.603 232 S HA 0.725 5.195 4.470 -0.001 0.000 0.274 232 S C -1.460 173.104 174.600 -0.059 0.000 1.168 232 S CA -0.851 57.289 58.200 -0.100 0.000 0.963 232 S CB 1.721 64.807 63.200 -0.191 0.000 1.078 232 S HN 0.462 nan 8.310 nan 0.000 0.477 233 Q N 1.410 121.148 119.800 -0.104 0.000 2.458 233 Q HA 0.808 5.148 4.340 -0.001 0.000 0.282 233 Q C -1.674 174.267 176.000 -0.098 0.000 1.106 233 Q CA -0.592 55.225 55.803 0.023 0.000 0.814 233 Q CB 0.429 29.211 28.738 0.073 0.000 1.425 233 Q HN 0.761 nan 8.270 nan 0.000 0.437 234 W N 0.338 121.658 121.300 0.033 0.000 2.639 234 W HA 0.573 5.232 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 1.105 30.583 29.460 0.031 0.000 1.393 234 W HN 0.451 nan 8.180 nan 0.000 0.557 235 L N 2.768 124.148 121.223 0.262 0.000 2.906 235 L HA 0.234 4.574 4.340 -0.001 0.000 0.255 235 L C 1.666 178.631 176.870 0.159 0.000 1.166 235 L CA 0.904 55.842 54.840 0.163 0.000 0.977 235 L CB -0.746 41.377 42.059 0.106 0.000 1.313 235 L HN 1.013 nan 8.230 nan 0.000 0.549 236 G N 1.076 110.005 108.800 0.216 0.000 2.480 236 G HA2 -0.446 3.513 3.960 -0.001 0.000 0.246 236 G HA3 -0.446 3.513 3.960 -0.001 0.000 0.246 236 G C 0.989 175.973 174.900 0.139 0.000 1.073 236 G CA 1.121 46.309 45.100 0.147 0.000 0.643 236 G HN 0.384 nan 8.290 nan 0.000 0.525 237 D N 0.352 120.835 120.400 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 1.174 55.252 54.000 0.129 0.000 0.875 237 D CB 0.190 41.045 40.800 0.092 0.000 0.984 237 D HN 0.864 nan 8.370 nan 0.000 0.508 238 R N -1.747 118.865 120.500 0.187 0.000 2.741 238 R HA 0.567 4.907 4.340 -0.001 0.000 0.276 238 R C -2.038 174.350 176.300 0.147 0.000 1.028 238 R CA -0.979 55.236 56.100 0.190 0.000 0.865 238 R CB 1.073 31.455 30.300 0.137 0.000 1.268 238 R HN -0.128 nan 8.270 nan 0.000 0.475 239 V N 1.630 121.596 119.914 0.088 0.000 2.686 239 V HA 0.564 4.684 4.120 -0.001 0.000 0.306 239 V C -1.577 174.486 176.094 -0.051 0.000 1.065 239 V CA -0.877 61.324 62.300 -0.165 0.000 0.894 239 V CB 1.955 33.355 31.823 -0.705 0.000 1.004 239 V HN 0.673 nan 8.190 nan 0.000 0.424 240 I N 5.599 126.085 120.570 -0.139 0.000 2.339 240 I HA 0.505 4.675 4.170 -0.001 0.000 0.290 240 I C 0.443 176.479 176.117 -0.135 0.000 0.994 240 I CA 0.071 61.333 61.300 -0.064 0.000 1.191 240 I CB 2.054 40.014 38.000 -0.066 0.000 1.343 240 I HN 0.783 nan 8.210 nan 0.000 0.458 241 T N 1.453 115.971 114.554 -0.061 0.000 2.756 241 T HA 0.596 4.946 4.350 -0.001 0.000 0.290 241 T C -0.070 174.601 174.700 -0.049 0.000 0.985 241 T CA -0.681 61.337 62.100 -0.137 0.000 0.955 241 T CB 0.521 69.239 68.868 -0.251 0.000 0.930 241 T HN 0.474 nan 8.240 nan 0.000 0.451 242 T N 2.895 117.413 114.554 -0.059 0.000 2.794 242 T HA 0.637 4.987 4.350 -0.001 0.000 0.280 242 T C -0.300 174.374 174.700 -0.043 0.000 0.987 242 T CA -0.737 61.335 62.100 -0.045 0.000 0.993 242 T CB 1.449 70.295 68.868 -0.037 0.000 0.939 242 T HN 0.703 nan 8.240 nan 0.000 0.449 243 S N 1.934 117.597 115.700 -0.062 0.000 2.571 243 S HA 0.685 5.154 4.470 -0.001 0.000 0.284 243 S C -0.935 173.545 174.600 -0.199 0.000 1.128 243 S CA -0.537 57.606 58.200 -0.096 0.000 0.970 243 S CB 1.206 64.383 63.200 -0.037 0.000 1.039 243 S HN 0.665 nan 8.310 nan 0.000 0.485 244 T N 5.324 119.659 114.554 -0.365 0.000 2.881 244 T HA 0.665 5.015 4.350 -0.001 0.000 0.290 244 T C -0.958 173.362 174.700 -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 1.233 121.567 120.500 -0.276 0.000 2.836 245 R HA 0.638 4.977 4.340 -0.001 0.000 0.269 245 R C -0.816 175.618 176.300 0.224 0.000 1.010 245 R CA -0.816 55.352 56.100 0.113 0.000 0.930 245 R CB 1.679 32.188 30.300 0.350 0.000 1.218 245 R HN 0.564 nan 8.270 nan 0.000 0.473 246 T N 2.612 117.355 114.554 0.315 0.000 2.799 246 T HA 0.514 4.864 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 -0.625 61.516 62.100 0.067 0.000 1.035 246 T CB 0.661 69.562 68.868 0.054 0.000 0.932 246 T HN 0.456 nan 8.240 nan 0.000 0.469 247 W N 0.668 121.810 121.300 -0.264 0.000 2.799 247 W HA 0.836 5.496 4.660 -0.001 0.000 0.349 247 W C -1.301 174.995 176.519 -0.371 0.000 1.100 247 W CA -1.716 55.196 57.345 -0.722 0.000 1.174 247 W CB 1.390 30.498 29.460 -0.587 0.000 1.427 247 W HN 0.730 nan 8.180 nan 0.000 0.547 248 A N 2.733 125.539 122.820 -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 3.673 125.068 121.223 0.285 0.000 2.404 249 L HA 0.690 5.029 4.340 -0.001 0.000 0.272 249 L C -2.683 174.238 176.870 0.085 0.000 0.980 249 L CA -1.585 53.352 54.840 0.161 0.000 0.836 249 L CB 2.125 44.276 42.059 0.152 0.000 1.238 249 L HN 0.443 nan 8.230 nan 0.000 0.408 250 P HA 0.375 nan 4.420 nan 0.000 0.293 250 P C -1.049 176.093 177.300 -0.263 0.000 1.304 250 P CA -0.420 62.540 63.100 -0.234 0.000 0.767 250 P CB 0.542 31.932 31.700 -0.516 0.000 1.247 251 T N 0.611 114.998 114.554 -0.279 0.000 2.762 251 T HA 0.320 4.670 4.350 -0.001 0.000 0.303 251 T C -0.362 174.131 174.700 -0.344 0.000 0.977 251 T CA 0.080 62.005 62.100 -0.293 0.000 0.961 251 T CB -0.849 67.804 68.868 -0.358 0.000 0.944 251 T HN 0.126 nan 8.240 nan 0.000 0.481 252 Y N 2.086 122.281 120.300 -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 -0.210 57.815 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 0.707 nan 8.280 nan 0.000 0.527 253 N N 1.936 120.692 118.700 0.093 0.000 2.650 253 N HA -0.395 4.345 4.740 -0.001 0.000 0.249 253 N C -0.364 175.138 175.510 -0.012 0.000 1.155 253 N CA 0.772 53.847 53.050 0.042 0.000 0.747 253 N CB -0.598 37.920 38.487 0.051 0.000 1.132 253 N HN 0.766 nan 8.380 nan 0.000 0.564 254 N N 0.169 118.807 118.700 -0.104 0.000 2.714 254 N HA -0.207 4.532 4.740 -0.001 0.000 0.253 254 N C -0.560 174.897 175.510 -0.089 0.000 1.024 254 N CA 2.030 54.998 53.050 -0.138 0.000 0.726 254 N CB -1.748 36.750 38.487 0.017 0.000 0.908 254 N HN 0.721 nan 8.380 nan 0.000 0.542 255 H N -2.725 116.300 119.070 -0.076 0.000 2.861 255 H HA -0.203 4.353 4.556 -0.001 0.000 0.289 255 H C -0.159 175.144 175.328 -0.042 0.000 1.176 255 H CA 1.213 57.166 56.048 -0.159 0.000 1.146 255 H CB -1.139 28.389 29.762 -0.391 0.000 1.330 255 H HN 0.352 nan 8.280 nan 0.000 0.379 256 L N 0.134 121.400 121.223 0.072 0.000 2.401 256 L HA 0.452 4.791 4.340 -0.001 0.000 0.266 256 L C -0.241 176.690 176.870 0.102 0.000 0.991 256 L CA -1.028 53.901 54.840 0.149 0.000 0.818 256 L CB 1.405 43.569 42.059 0.174 0.000 1.321 256 L HN 0.022 nan 8.230 nan 0.000 0.413 257 Y N 2.077 122.529 120.300 0.254 0.000 2.336 257 Y HA 0.323 4.873 4.550 -0.001 0.000 0.335 257 Y C 0.030 176.087 175.900 0.262 0.000 1.046 257 Y CA -0.164 58.124 58.100 0.312 0.000 1.198 257 Y CB 1.016 39.729 38.460 0.423 0.000 1.182 257 Y HN 0.284 nan 8.280 nan 0.000 0.502 258 K N 2.871 123.482 120.400 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 -1.059 55.353 56.287 0.210 0.000 0.809 258 K CB 1.966 34.532 32.500 0.109 0.000 1.131 258 K HN 0.597 nan 8.250 nan 0.000 0.427 259 Q N 5.111 124.919 119.800 0.014 0.000 2.307 259 Q HA 0.195 4.534 4.340 -0.001 0.000 0.261 259 Q C -0.527 175.222 176.000 -0.419 0.000 1.051 259 Q CA -0.333 55.227 55.803 -0.405 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 1.028 121.257 120.570 -0.569 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 -0.728 60.342 61.300 -0.383 0.000 1.129 260 I CB 2.081 39.987 38.000 -0.156 0.000 1.308 260 I HN 0.693 nan 8.210 nan 0.000 0.466 261 S N 1.866 117.256 115.700 -0.517 0.000 2.661 261 S HA 0.469 4.938 4.470 -0.001 0.000 0.268 261 S C -0.559 173.498 174.600 -0.904 0.000 1.162 261 S CA -0.592 57.148 58.200 -0.767 0.000 0.817 261 S CB 0.876 63.937 63.200 -0.231 0.000 1.141 261 S HN 0.994 nan 8.310 nan 0.000 0.477 262 S N 1.148 116.366 115.700 -0.804 0.000 2.576 262 S HA 0.356 4.825 4.470 -0.001 0.000 0.276 262 S C 0.089 174.670 174.600 -0.031 0.000 1.339 262 S CA -0.552 57.509 58.200 -0.232 0.000 1.039 262 S CB 0.290 63.555 63.200 0.109 0.000 0.902 262 S HN 0.769 nan 8.310 nan 0.000 0.516 263 Q N 1.459 121.280 119.800 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 0.380 56.197 55.803 0.024 0.000 0.918 263 Q CB 0.549 29.298 28.738 0.018 0.000 1.242 263 Q HN 0.827 nan 8.270 nan 0.000 0.405 264 S N 2.498 118.218 115.700 0.033 0.000 2.711 264 S HA 0.211 4.681 4.470 -0.001 0.000 0.335 264 S C 0.680 175.309 174.600 0.049 0.000 1.175 264 S CA 0.422 58.649 58.200 0.045 0.000 1.372 264 S CB -0.742 62.470 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 0.465 175.369 174.900 0.007 0.000 1.077 265 G CA -0.022 45.117 45.100 0.065 0.000 1.098 265 G HN 0.958 nan 8.290 nan 0.000 0.511 266 A N -1.076 121.724 122.820 -0.035 0.000 2.127 266 A HA 0.818 5.137 4.320 -0.001 0.000 0.204 266 A C 1.083 178.600 177.584 -0.112 0.000 1.243 266 A CA 1.602 53.603 52.037 -0.060 0.000 0.887 266 A CB 0.835 19.809 19.000 -0.044 0.000 0.933 266 A HN 1.558 nan 8.150 nan 0.000 0.479 267 S N -1.997 113.578 115.700 -0.208 0.000 2.552 267 S HA 0.334 4.803 4.470 -0.001 0.000 0.272 267 S C 0.026 174.369 174.600 -0.428 0.000 1.150 267 S CA -0.393 57.657 58.200 -0.250 0.000 0.849 267 S CB 1.258 64.328 63.200 -0.218 0.000 1.113 267 S HN 0.406 nan 8.310 nan 0.000 0.458 268 N N 0.666 119.242 118.700 -0.207 0.000 2.571 268 N HA 0.034 4.774 4.740 -0.001 0.000 0.195 268 N C 0.016 175.568 175.510 0.069 0.000 1.040 268 N CA 0.201 53.240 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 0.650 121.058 120.400 0.013 0.000 2.363 269 D HA 0.030 4.670 4.640 -0.001 0.000 0.226 269 D C -0.020 176.292 176.300 0.021 0.000 1.020 269 D CA 0.631 54.669 54.000 0.064 0.000 0.892 269 D CB -0.199 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 -0.601 118.069 118.700 -0.050 0.000 2.200 270 N HA 0.006 4.745 4.740 -0.001 0.000 0.224 270 N C 0.039 175.593 175.510 0.074 0.000 1.179 270 N CA -0.354 52.675 53.050 -0.036 0.000 0.877 270 N CB 0.734 39.152 38.487 -0.116 0.000 1.072 270 N HN 0.069 nan 8.380 nan 0.000 0.519 271 H N 1.120 120.274 119.070 0.141 0.000 2.871 271 H HA 0.044 4.600 4.556 -0.001 0.000 0.355 271 H C -0.422 175.080 175.328 0.291 0.000 1.092 271 H CA 0.678 56.834 56.048 0.179 0.000 1.420 271 H CB 0.367 30.184 29.762 0.092 0.000 1.400 271 H HN 0.259 nan 8.280 nan 0.000 0.604 272 Y N 0.544 120.968 120.300 0.206 0.000 2.702 272 Y HA 0.472 5.022 4.550 -0.001 0.000 0.336 272 Y C -2.269 173.746 175.900 0.193 0.000 1.203 272 Y CA -1.376 56.814 58.100 0.151 0.000 1.072 272 Y CB 1.307 39.811 38.460 0.073 0.000 1.327 272 Y HN 0.403 nan 8.280 nan 0.000 0.456 273 F N 1.278 121.197 119.950 -0.051 0.000 2.588 273 F HA 0.833 5.360 4.527 -0.001 0.000 0.314 273 F C -0.345 175.406 175.800 -0.081 0.000 1.134 273 F CA 0.036 57.916 58.000 -0.199 0.000 0.961 273 F CB 1.970 40.877 39.000 -0.155 0.000 1.239 273 F HN 1.087 nan 8.300 nan 0.000 0.448 274 G N 2.931 111.224 108.800 -0.845 0.000 2.588 274 G HA2 0.491 4.450 3.960 -0.001 0.000 0.281 274 G HA3 0.491 4.450 3.960 -0.001 0.000 0.281 274 G C -2.405 171.861 174.900 -1.055 0.000 1.223 274 G CA -0.579 44.138 45.100 -0.638 0.000 0.871 274 G HN 0.516 nan 8.290 nan 0.000 0.492 275 Y N -0.890 119.043 120.300 -0.611 0.000 2.588 275 Y HA 0.728 5.278 4.550 -0.001 0.000 0.343 275 Y C 0.094 175.842 175.900 -0.253 0.000 1.065 275 Y CA -0.796 57.073 58.100 -0.384 0.000 1.038 275 Y CB 2.603 40.947 38.460 -0.194 0.000 1.297 275 Y HN 0.538 nan 8.280 nan 0.000 0.467 276 S N 1.302 117.077 115.700 0.126 0.000 2.456 276 S HA 0.572 5.042 4.470 -0.001 0.000 0.316 276 S C -0.592 174.136 174.600 0.213 0.000 1.089 276 S CA -0.539 57.728 58.200 0.111 0.000 1.101 276 S CB 0.197 63.431 63.200 0.056 0.000 0.995 276 S HN 0.701 nan 8.310 nan 0.000 0.468 277 T N 2.734 117.422 114.554 0.223 0.000 2.902 277 T HA 0.563 4.913 4.350 -0.001 0.000 0.283 277 T C -2.424 172.288 174.700 0.021 0.000 1.009 277 T CA -2.080 60.095 62.100 0.124 0.000 1.051 277 T CB 1.375 70.553 68.868 0.517 0.000 0.999 277 T HN 0.297 nan 8.240 nan 0.000 0.474 278 P HA 0.145 nan 4.420 nan 0.000 0.242 278 P C -0.689 176.571 177.300 -0.068 0.000 1.197 278 P CA 0.040 63.070 63.100 -0.116 0.000 0.765 278 P CB -0.084 31.463 31.700 -0.255 0.000 0.936 279 W N 0.324 121.608 121.300 -0.026 0.000 2.375 279 W HA 0.560 5.219 4.660 -0.001 0.000 0.336 279 W C 1.074 177.572 176.519 -0.035 0.000 1.160 279 W CA -0.043 57.299 57.345 -0.004 0.000 1.266 279 W CB 0.685 30.135 29.460 -0.017 0.000 1.195 279 W HN -0.189 nan 8.180 nan 0.000 0.599 280 G N 0.562 109.457 108.800 0.159 0.000 2.705 280 G HA2 0.738 4.698 3.960 -0.001 0.000 0.299 280 G HA3 0.738 4.698 3.960 -0.001 0.000 0.299 280 G C -1.971 172.929 174.900 -0.001 0.000 1.315 280 G CA -0.711 44.363 45.100 -0.042 0.000 1.045 280 G HN 0.574 nan 8.290 nan 0.000 0.517 281 Y N -2.924 117.227 120.300 -0.247 0.000 2.624 281 Y HA 0.733 5.283 4.550 -0.001 0.000 0.334 281 Y C -1.787 173.919 175.900 -0.322 0.000 1.155 281 Y CA -2.187 55.756 58.100 -0.261 0.000 1.046 281 Y CB 1.065 39.412 38.460 -0.189 0.000 1.316 281 Y HN 0.395 nan 8.280 nan 0.000 0.457 282 F N 1.545 121.548 119.950 0.087 0.000 2.422 282 F HA 0.566 5.093 4.527 -0.001 0.000 0.333 282 F C -0.265 175.636 175.800 0.169 0.000 1.095 282 F CA -0.078 58.011 58.000 0.149 0.000 1.038 282 F CB 1.696 40.862 39.000 0.276 0.000 1.156 282 F HN 0.636 nan 8.300 nan 0.000 0.483 283 D N 1.710 122.303 120.400 0.321 0.000 2.753 283 D HA 0.446 5.085 4.640 -0.001 0.000 0.224 283 D C -0.886 175.497 176.300 0.137 0.000 1.213 283 D CA -0.516 53.525 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 0.289 nan 8.370 nan 0.000 0.463 284 F N 0.609 120.660 119.950 0.168 0.000 2.656 284 F HA 0.386 4.913 4.527 -0.001 0.000 0.363 284 F C 0.303 176.153 175.800 0.083 0.000 1.313 284 F CA -0.813 57.249 58.000 0.104 0.000 1.089 284 F CB -0.973 38.180 39.000 0.254 0.000 1.247 284 F HN 0.279 nan 8.300 nan 0.000 0.509 285 N N 1.835 120.367 118.700 -0.279 0.000 2.581 285 N HA 0.133 4.873 4.740 -0.001 0.000 0.230 285 N C -0.382 174.924 175.510 -0.339 0.000 1.310 285 N CA 0.011 52.700 53.050 -0.601 0.000 0.886 285 N CB 0.184 38.122 38.487 -0.914 0.000 1.205 285 N HN 0.370 nan 8.380 nan 0.000 0.488 286 R N -0.412 119.965 120.500 -0.205 0.000 2.628 286 R HA 0.193 4.532 4.340 -0.001 0.000 0.288 286 R C 0.016 176.190 176.300 -0.210 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 0.128 nan 8.270 nan 0.000 0.450 287 F N 1.017 120.963 119.950 -0.007 0.000 2.216 287 F HA -0.184 4.343 4.527 -0.001 0.000 0.300 287 F C 2.316 178.154 175.800 0.064 0.000 1.085 287 F CA 1.701 59.789 58.000 0.145 0.000 1.326 287 F CB -0.072 38.836 39.000 -0.154 0.000 1.027 287 F HN 0.721 nan 8.300 nan 0.000 0.497 288 H N -2.797 116.338 119.070 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 0.576 56.649 56.048 0.041 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 0.670 119.827 119.300 -0.237 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 1.008 59.813 59.018 -0.355 0.000 1.766 289 C CB -0.612 26.753 27.740 -0.625 0.000 1.924 289 C HN 0.799 nan 8.230 nan 0.000 0.509 290 H N -2.789 116.401 119.070 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 0.193 56.289 56.048 0.080 0.000 1.175 290 H CB -0.200 29.662 29.762 0.167 0.000 1.450 290 H HN 0.311 nan 8.280 nan 0.000 0.472 291 F N 2.892 122.980 119.950 0.229 0.000 2.394 291 F HA 0.262 4.788 4.527 -0.001 0.000 0.340 291 F C 1.142 177.016 175.800 0.124 0.000 1.105 291 F CA -0.856 57.243 58.000 0.165 0.000 1.124 291 F CB 1.207 40.363 39.000 0.259 0.000 1.145 291 F HN -0.037 nan 8.300 nan 0.000 0.505 292 S N 2.730 118.595 115.700 0.274 0.000 2.632 292 S HA 0.369 4.839 4.470 -0.001 0.000 0.267 292 S C -2.023 172.681 174.600 0.173 0.000 1.276 292 S CA -1.169 57.144 58.200 0.189 0.000 0.998 292 S CB 1.508 64.799 63.200 0.152 0.000 0.953 292 S HN 0.344 nan 8.310 nan 0.000 0.547 293 P HA -0.174 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 1.309 64.313 63.100 -0.160 0.000 0.880 293 P CB -0.032 31.488 31.700 -0.300 0.000 0.791 294 R N 0.339 120.880 120.500 0.069 0.000 2.070 294 R HA -0.143 4.197 4.340 -0.001 0.000 0.233 294 R C 1.835 178.225 176.300 0.149 0.000 1.137 294 R CA 2.056 58.214 56.100 0.097 0.000 0.945 294 R CB -1.663 28.704 30.300 0.111 0.000 0.845 294 R HN 0.096 nan 8.270 nan 0.000 0.430 295 D N -0.352 120.209 120.400 0.268 0.000 2.116 295 D HA -0.257 4.383 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 1.321 55.603 54.000 0.470 0.000 0.836 295 D CB -0.650 40.477 40.800 0.544 0.000 0.951 295 D HN 0.408 nan 8.370 nan 0.000 0.449 296 W N 1.947 123.297 121.300 0.084 0.000 2.325 296 W HA -0.234 4.426 4.660 -0.001 0.000 0.299 296 W C 2.219 178.610 176.519 -0.214 0.000 1.215 296 W CA 1.417 58.664 57.345 -0.164 0.000 1.244 296 W CB -0.088 29.226 29.460 -0.244 0.000 1.140 296 W HN 0.119 nan 8.180 nan 0.000 0.523 297 Q N 0.341 120.109 119.800 -0.053 0.000 2.020 297 Q HA -0.234 4.105 4.340 -0.001 0.000 0.202 297 Q C 2.433 178.306 176.000 -0.213 0.000 0.982 297 Q CA 2.152 57.859 55.803 -0.161 0.000 0.838 297 Q CB -0.277 28.440 28.738 -0.036 0.000 0.899 297 Q HN 0.220 nan 8.270 nan 0.000 0.423 298 R N 0.360 120.751 120.500 -0.181 0.000 2.094 298 R HA -0.190 4.150 4.340 -0.001 0.000 0.239 298 R C 2.529 178.622 176.300 -0.345 0.000 1.137 298 R CA 1.701 57.603 56.100 -0.330 0.000 0.943 298 R CB -0.797 29.159 30.300 -0.573 0.000 0.850 298 R HN 0.354 nan 8.270 nan 0.000 0.433 299 L N 0.812 121.894 121.223 -0.235 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 -0.365 0.000 1.072 299 L CA 1.534 56.233 54.840 -0.235 0.000 0.758 299 L CB -0.287 41.499 42.059 -0.454 0.000 0.889 299 L HN 0.186 nan 8.230 nan 0.000 0.433 300 I N 0.447 120.688 120.570 -0.548 0.000 2.163 300 I HA -0.303 3.867 4.170 -0.001 0.000 0.243 300 I C 1.949 177.940 176.117 -0.211 0.000 1.085 300 I CA 1.527 62.555 61.300 -0.452 0.000 1.347 300 I CB -1.652 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 1.033 119.600 118.700 -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 0.452 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 -0.617 174.855 175.510 -0.063 0.000 1.211 302 N CA 0.014 53.001 53.050 -0.105 0.000 0.881 302 N CB 0.785 39.168 38.487 -0.173 0.000 1.153 302 N HN 0.150 nan 8.380 nan 0.000 0.489 303 N N -0.148 118.572 118.700 0.033 0.000 2.342 303 N HA 0.141 4.881 4.740 -0.001 0.000 0.293 303 N C 0.334 176.058 175.510 0.358 0.000 1.026 303 N CA -0.443 52.685 53.050 0.130 0.000 0.857 303 N CB 1.770 40.360 38.487 0.171 0.000 1.256 303 N HN 0.143 nan 8.380 nan 0.000 0.484 304 W N 1.916 123.236 121.300 0.034 0.000 2.321 304 W HA -0.127 4.533 4.660 -0.001 0.000 0.306 304 W C 1.119 177.728 176.519 0.149 0.000 1.217 304 W CA 0.266 57.630 57.345 0.030 0.000 1.257 304 W CB 0.343 29.733 29.460 -0.117 0.000 1.145 304 W HN 0.591 nan 8.180 nan 0.000 0.509 305 G N -1.857 107.198 108.800 0.425 0.000 2.550 305 G HA2 0.467 4.427 3.960 -0.001 0.000 0.293 305 G HA3 0.467 4.427 3.960 -0.001 0.000 0.293 305 G C -1.821 173.534 174.900 0.758 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 -1.314 119.078 119.950 0.737 0.000 2.779 306 F HA 0.945 5.472 4.527 -0.001 0.000 0.316 306 F C -0.760 175.287 175.800 0.412 0.000 1.164 306 F CA -1.367 57.009 58.000 0.626 0.000 0.924 306 F CB 1.650 40.880 39.000 0.383 0.000 1.348 306 F HN 0.928 nan 8.300 nan 0.000 0.467 307 R N -0.356 120.346 120.500 0.336 0.000 2.712 307 R HA 0.689 5.028 4.340 -0.001 0.000 0.272 307 R C -3.636 172.588 176.300 -0.128 0.000 1.032 307 R CA -1.934 54.021 56.100 -0.243 0.000 0.874 307 R CB 1.601 31.420 30.300 -0.802 0.000 1.256 307 R HN 0.374 nan 8.270 nan 0.000 0.468 308 P HA 0.314 nan 4.420 nan 0.000 0.278 308 P C -0.731 176.071 177.300 -0.830 0.000 1.238 308 P CA -0.580 61.759 63.100 -1.268 0.000 0.794 308 P CB 1.153 31.525 31.700 -2.214 0.000 0.955 309 K N 1.000 121.087 120.400 -0.520 0.000 2.537 309 K HA 0.281 4.600 4.320 -0.001 0.000 0.216 309 K C 0.401 177.034 176.600 0.054 0.000 1.349 309 K CA 0.755 56.944 56.287 -0.164 0.000 0.841 309 K CB 0.212 32.618 32.500 -0.157 0.000 1.659 309 K HN 0.349 nan 8.250 nan 0.000 0.435 310 K N 0.296 120.683 120.400 -0.022 0.000 2.331 310 K HA 0.552 4.871 4.320 -0.001 0.000 0.238 310 K C -1.223 175.367 176.600 -0.017 0.000 1.058 310 K CA -0.947 55.302 56.287 -0.064 0.000 0.871 310 K CB 1.712 34.137 32.500 -0.125 0.000 1.292 310 K HN -0.087 nan 8.250 nan 0.000 0.470 311 L N -0.354 120.821 121.223 -0.079 0.000 2.513 311 L HA 0.406 4.746 4.340 -0.001 0.000 0.261 311 L C -1.790 175.036 176.870 -0.073 0.000 0.945 311 L CA 0.007 54.829 54.840 -0.030 0.000 0.848 311 L CB 2.481 44.567 42.059 0.045 0.000 1.334 311 L HN 0.513 nan 8.230 nan 0.000 0.407 312 S N 4.373 120.051 115.700 -0.037 0.000 2.779 312 S HA 0.572 5.042 4.470 -0.001 0.000 0.293 312 S C -1.284 173.352 174.600 0.060 0.000 1.150 312 S CA -0.259 57.919 58.200 -0.036 0.000 1.057 312 S CB 0.734 63.874 63.200 -0.100 0.000 1.021 312 S HN 0.472 nan 8.310 nan 0.000 0.485 313 F N 3.668 123.630 119.950 0.020 0.000 2.436 313 F HA 0.660 5.187 4.527 -0.001 0.000 0.340 313 F C -0.138 175.723 175.800 0.102 0.000 1.113 313 F CA -0.403 57.655 58.000 0.097 0.000 1.022 313 F CB 0.818 39.992 39.000 0.290 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 55.593 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 6.053 127.385 121.223 0.181 0.000 2.341 315 L HA 0.682 5.022 4.340 -0.001 0.000 0.278 315 L C -0.762 176.371 176.870 0.438 0.000 1.005 315 L CA -0.825 54.131 54.840 0.193 0.000 0.818 315 L CB 0.941 43.102 42.059 0.171 0.000 1.259 315 L HN 0.706 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 0.398 4.925 4.527 -0.001 0.000 0.322 316 F C 0.057 175.943 175.800 0.142 0.000 1.187 316 F CA -1.440 56.649 58.000 0.148 0.000 0.910 316 F CB 1.084 40.137 39.000 0.088 0.000 1.411 316 F HN 0.459 nan 8.300 nan 0.000 0.492 317 N N 0.343 119.210 118.700 0.279 0.000 2.716 317 N HA -0.210 4.529 4.740 -0.001 0.000 0.250 317 N C -0.967 174.542 175.510 -0.002 0.000 1.033 317 N CA 0.567 53.689 53.050 0.120 0.000 0.727 317 N CB -1.140 37.409 38.487 0.104 0.000 0.950 317 N HN 0.470 nan 8.380 nan 0.000 0.541 318 I N 1.006 121.617 120.570 0.069 0.000 2.588 318 I HA 0.013 4.182 4.170 -0.001 0.000 0.283 318 I C 0.519 176.634 176.117 -0.004 0.000 1.119 318 I CA 0.485 61.821 61.300 0.059 0.000 1.419 318 I CB 0.668 38.781 38.000 0.189 0.000 1.394 318 I HN 0.143 nan 8.210 nan 0.000 0.562 319 Q N 5.439 125.195 119.800 -0.073 0.000 2.305 319 Q HA 0.510 4.850 4.340 -0.001 0.000 0.271 319 Q C -1.375 174.549 176.000 -0.127 0.000 1.046 319 Q CA -0.770 54.976 55.803 -0.094 0.000 0.798 319 Q CB 3.128 31.789 28.738 -0.128 0.000 1.286 319 Q HN 0.384 nan 8.270 nan 0.000 0.435 320 V N 3.367 123.210 119.914 -0.118 0.000 2.311 320 V HA 0.292 4.412 4.120 -0.001 0.000 0.275 320 V C -0.389 175.554 176.094 -0.251 0.000 1.022 320 V CA -0.706 61.493 62.300 -0.168 0.000 0.830 320 V CB 0.889 32.663 31.823 -0.082 0.000 1.012 320 V HN 0.545 nan 8.190 nan 0.000 0.452 321 K N 4.271 124.373 120.400 -0.496 0.000 2.183 321 K HA 0.496 4.816 4.320 -0.001 0.000 0.274 321 K C -0.118 176.233 176.600 -0.415 0.000 1.009 321 K CA -0.491 55.489 56.287 -0.511 0.000 0.888 321 K CB 2.197 34.256 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 0.422 4.771 4.350 -0.001 0.000 0.275 322 E C -0.754 175.877 176.600 0.052 0.000 0.941 322 E CA -0.995 55.392 56.400 -0.021 0.000 0.784 322 E CB 1.874 31.573 29.700 -0.002 0.000 1.115 322 E HN 0.122 nan 8.360 nan 0.000 0.399 323 V N 2.756 122.739 119.914 0.114 0.000 2.630 323 V HA 0.751 4.871 4.120 -0.001 0.000 0.305 323 V C -0.910 175.227 176.094 0.071 0.000 1.046 323 V CA -0.017 62.350 62.300 0.111 0.000 0.934 323 V CB 1.927 33.837 31.823 0.145 0.000 1.003 323 V HN 1.001 nan 8.190 nan 0.000 0.451 324 T N 3.064 117.649 114.554 0.052 0.000 2.879 324 T HA 0.587 4.937 4.350 -0.001 0.000 0.290 324 T C -0.948 173.769 174.700 0.028 0.000 0.993 324 T CA -0.733 61.390 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 3.132 122.946 119.800 0.022 0.000 2.441 325 Q HA 0.405 4.745 4.340 -0.001 0.000 0.234 325 Q C 0.841 176.848 176.000 0.012 0.000 1.078 325 Q CA -0.507 55.304 55.803 0.014 0.000 0.907 325 Q CB 0.622 29.366 28.738 0.009 0.000 1.269 325 Q HN 0.547 nan 8.270 nan 0.000 0.502 326 N N 1.382 120.088 118.700 0.011 0.000 2.124 326 N HA -0.068 4.671 4.740 -0.001 0.000 0.189 326 N C 0.123 175.636 175.510 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 -1.370 119.033 120.400 0.004 0.000 3.013 327 D HA 0.206 4.845 4.640 -0.001 0.000 0.256 327 D C 1.021 177.322 176.300 0.001 0.000 1.573 327 D CA 0.612 54.613 54.000 0.002 0.000 1.197 327 D CB -0.372 40.429 40.800 0.002 0.000 1.041 327 D HN 0.275 nan 8.370 nan 0.000 0.304 328 G N -0.093 108.707 108.800 -0.000 0.000 3.969 328 G HA2 0.246 4.205 3.960 -0.001 0.000 0.291 328 G HA3 0.246 4.205 3.960 -0.001 0.000 0.291 328 G C -0.292 174.607 174.900 -0.002 0.000 1.016 328 G CA 0.058 45.157 45.100 -0.002 0.000 0.819 328 G HN 0.219 nan 8.290 nan 0.000 0.493 329 T N 0.662 115.216 114.554 0.000 0.000 2.881 329 T HA 0.504 4.854 4.350 -0.001 0.000 0.291 329 T C -0.151 174.551 174.700 0.004 0.000 0.990 329 T CA -0.293 61.807 62.100 0.001 0.000 0.976 329 T CB 1.089 69.959 68.868 0.002 0.000 0.970 329 T HN 0.107 nan 8.240 nan 0.000 0.438 330 T N 2.747 117.303 114.554 0.003 0.000 2.729 330 T HA 0.511 4.861 4.350 -0.001 0.000 0.296 330 T C 0.476 175.185 174.700 0.015 0.000 0.928 330 T CA -0.774 61.331 62.100 0.008 0.000 1.045 330 T CB 0.224 69.093 68.868 0.000 0.000 0.902 330 T HN 0.729 nan 8.240 nan 0.000 0.500 331 T N 1.898 116.465 114.554 0.022 0.000 2.829 331 T HA 0.692 5.041 4.350 -0.001 0.000 0.282 331 T C -0.064 174.661 174.700 0.042 0.000 0.990 331 T CA -0.958 61.158 62.100 0.026 0.000 1.028 331 T CB 0.577 69.457 68.868 0.020 0.000 0.951 331 T HN 0.637 nan 8.240 nan 0.000 0.460 332 I N 1.983 122.582 120.570 0.048 0.000 2.433 332 I HA 0.732 4.901 4.170 -0.001 0.000 0.292 332 I C 0.217 176.355 176.117 0.034 0.000 1.001 332 I CA -1.046 60.297 61.300 0.071 0.000 1.119 332 I CB 1.680 39.756 38.000 0.126 0.000 1.289 332 I HN 0.955 nan 8.210 nan 0.000 0.438 333 A N 5.120 127.948 122.820 0.012 0.000 2.525 333 A HA 0.665 4.985 4.320 -0.001 0.000 0.291 333 A C -1.221 176.338 177.584 -0.042 0.000 1.268 333 A CA -0.782 51.249 52.037 -0.010 0.000 0.712 333 A CB 1.386 20.384 19.000 -0.002 0.000 1.320 333 A HN 0.620 nan 8.150 nan 0.000 0.456 334 N N 2.009 120.686 118.700 -0.038 0.000 2.422 334 N HA 0.254 4.993 4.740 -0.001 0.000 0.266 334 N C -1.266 174.220 175.510 -0.040 0.000 1.007 334 N CA -0.186 52.833 53.050 -0.052 0.000 0.941 334 N CB 1.247 39.710 38.487 -0.039 0.000 1.115 334 N HN 0.564 nan 8.380 nan 0.000 0.492 335 N N 3.802 122.471 118.700 -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 52.764 53.050 -0.032 0.000 0.949 335 N CB 0.161 38.629 38.487 -0.031 0.000 1.214 335 N HN 0.486 nan 8.380 nan 0.000 0.504 336 L N 0.537 121.749 121.223 -0.018 0.000 2.046 336 L HA -0.140 4.200 4.340 -0.001 0.000 0.208 336 L C 2.000 178.869 176.870 -0.002 0.000 1.077 336 L CA 1.530 56.364 54.840 -0.010 0.000 0.747 336 L CB -0.753 41.303 42.059 -0.005 0.000 0.896 336 L HN 0.505 nan 8.230 nan 0.000 0.432 337 T N -3.972 110.582 114.554 -0.001 0.000 3.227 337 T HA -0.010 4.339 4.350 -0.001 0.000 0.257 337 T C 0.817 175.518 174.700 0.001 0.000 1.162 337 T CA 0.015 62.117 62.100 0.003 0.000 1.051 337 T CB -0.100 68.770 68.868 0.004 0.000 0.953 337 T HN 0.117 nan 8.240 nan 0.000 0.535 338 S N 1.597 117.295 115.700 -0.003 0.000 2.616 338 S HA 0.600 5.069 4.470 -0.001 0.000 0.277 338 S C 0.235 174.837 174.600 0.003 0.000 1.234 338 S CA -0.572 57.624 58.200 -0.006 0.000 1.028 338 S CB 1.067 64.257 63.200 -0.016 0.000 0.988 338 S HN 0.715 nan 8.310 nan 0.000 0.522 339 T N 0.048 114.603 114.554 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 70.228 68.868 0.023 0.000 1.167 339 T HN 0.562 nan 8.240 nan 0.000 0.526 340 V N 0.188 120.125 119.914 0.039 0.000 3.040 340 V HA 0.593 4.713 4.120 -0.001 0.000 0.312 340 V C -1.649 174.469 176.094 0.039 0.000 1.115 340 V CA -0.828 61.488 62.300 0.027 0.000 0.998 340 V CB 2.267 34.136 31.823 0.076 0.000 1.042 340 V HN 1.059 nan 8.190 nan 0.000 0.433 341 Q N 3.230 123.038 119.800 0.013 0.000 2.330 341 Q HA 0.736 5.076 4.340 -0.001 0.000 0.269 341 Q C -1.567 174.567 176.000 0.223 0.000 1.022 341 Q CA -0.644 55.231 55.803 0.119 0.000 0.796 341 Q CB 2.539 31.360 28.738 0.140 0.000 1.271 341 Q HN 0.564 nan 8.270 nan 0.000 0.450 342 V N 2.987 122.996 119.914 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 0.048 0.000 1.072 342 V CA -0.900 61.368 62.300 -0.054 0.000 0.937 342 V CB 1.402 32.866 31.823 -0.598 0.000 1.013 342 V HN 0.778 nan 8.190 nan 0.000 0.430 343 F N 0.307 120.093 119.950 -0.273 0.000 2.703 343 F HA 0.727 5.254 4.527 -0.001 0.000 0.308 343 F C -0.904 174.683 175.800 -0.355 0.000 1.126 343 F CA -0.628 57.232 58.000 -0.233 0.000 0.959 343 F CB 1.850 40.745 39.000 -0.176 0.000 1.297 343 F HN 0.462 nan 8.300 nan 0.000 0.441 344 T N 1.503 115.902 114.554 -0.258 0.000 2.786 344 T HA 0.275 4.625 4.350 -0.001 0.000 0.283 344 T C -1.157 173.337 174.700 -0.342 0.000 0.992 344 T CA -0.383 61.404 62.100 -0.521 0.000 0.954 344 T CB 0.582 69.020 68.868 -0.717 0.000 0.934 344 T HN 0.824 nan 8.240 nan 0.000 0.440 345 D N 3.598 123.711 120.400 -0.478 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 -0.421 0.000 1.257 345 D CA 0.102 53.899 54.000 -0.338 0.000 1.027 345 D CB 0.118 40.675 40.800 -0.405 0.000 1.084 345 D HN 0.449 nan 8.370 nan 0.000 0.514 346 S N 2.297 117.807 115.700 -0.317 0.000 2.503 346 S HA 0.002 4.471 4.470 -0.001 0.000 0.217 346 S C 1.321 175.680 174.600 -0.402 0.000 0.999 346 S CA -0.076 57.886 58.200 -0.397 0.000 0.914 346 S CB 0.209 63.338 63.200 -0.119 0.000 0.782 346 S HN 0.544 nan 8.310 nan 0.000 0.520 347 E N 0.458 120.546 120.200 -0.185 0.000 2.489 347 E HA 0.085 4.434 4.350 -0.001 0.000 0.193 347 E C -0.814 175.837 176.600 0.085 0.000 1.057 347 E CA -0.193 56.196 56.400 -0.019 0.000 0.866 347 E CB -0.124 29.596 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 1.057 176.945 175.900 -0.020 0.000 1.322 348 Y CA 0.323 58.425 58.100 0.003 0.000 1.118 348 Y CB -2.260 36.203 38.460 0.004 0.000 1.343 348 Y HN 0.206 nan 8.280 nan 0.000 0.499 349 Q N -0.248 119.593 119.800 0.069 0.000 2.378 349 Q HA 0.265 4.605 4.340 -0.001 0.000 0.216 349 Q C 0.362 176.244 176.000 -0.196 0.000 0.892 349 Q CA 0.091 55.907 55.803 0.022 0.000 0.931 349 Q CB 0.700 29.527 28.738 0.149 0.000 1.086 349 Q HN 0.510 nan 8.270 nan 0.000 0.528 350 L N 2.408 123.481 121.223 -0.251 0.000 2.312 350 L HA 0.354 4.694 4.340 -0.001 0.000 0.281 350 L C -2.208 174.519 176.870 -0.238 0.000 1.070 350 L CA -2.318 52.245 54.840 -0.462 0.000 0.805 350 L CB 0.890 42.614 42.059 -0.559 0.000 1.174 350 L HN -0.168 nan 8.230 nan 0.000 0.434 351 P HA -0.142 nan 4.420 nan 0.000 0.258 351 P C -1.038 176.320 177.300 0.095 0.000 1.172 351 P CA 0.232 63.335 63.100 0.006 0.000 0.762 351 P CB -0.022 31.717 31.700 0.065 0.000 0.764 352 Y N 3.961 124.271 120.300 0.016 0.000 2.531 352 Y HA 0.114 4.663 4.550 -0.001 0.000 0.347 352 Y C 1.292 177.196 175.900 0.007 0.000 1.024 352 Y CA 0.409 58.521 58.100 0.020 0.000 1.306 352 Y CB 0.449 38.942 38.460 0.055 0.000 1.149 352 Y HN 0.155 nan 8.280 nan 0.000 0.527 353 V N 6.995 126.744 119.914 -0.275 0.000 3.621 353 V HA 0.157 4.277 4.120 -0.001 0.000 0.285 353 V C 0.459 176.363 176.094 -0.316 0.000 1.346 353 V CA 0.220 62.365 62.300 -0.259 0.000 1.104 353 V CB -0.470 31.124 31.823 -0.382 0.000 0.913 353 V HN 0.580 nan 8.190 nan 0.000 0.432 354 L N 0.113 121.028 121.223 -0.513 0.000 2.468 354 L HA 0.569 4.908 4.340 -0.001 0.000 0.254 354 L C 1.460 178.284 176.870 -0.075 0.000 1.171 354 L CA 0.512 55.135 54.840 -0.361 0.000 0.809 354 L CB 0.225 41.969 42.059 -0.525 0.000 1.155 354 L HN 0.305 nan 8.230 nan 0.000 0.473 355 G N 0.502 109.235 108.800 -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 0.375 45.434 45.100 -0.068 0.000 0.791 355 G HN 0.537 nan 8.290 nan 0.000 0.502 356 S N -0.547 115.175 115.700 0.038 0.000 2.855 356 S HA 0.587 5.056 4.470 -0.001 0.000 0.249 356 S C 1.454 175.976 174.600 -0.130 0.000 1.033 356 S CA 1.025 59.237 58.200 0.020 0.000 1.038 356 S CB 0.675 63.966 63.200 0.152 0.000 0.960 356 S HN 2.187 nan 8.310 nan 0.000 0.548 357 A N 1.511 124.291 122.820 -0.067 0.000 2.847 357 A HA -0.214 4.105 4.320 -0.001 0.000 0.263 357 A C 0.331 177.862 177.584 -0.089 0.000 1.391 357 A CA 0.884 52.880 52.037 -0.068 0.000 0.866 357 A CB -2.279 16.675 19.000 -0.077 0.000 1.057 357 A HN 0.674 nan 8.150 nan 0.000 0.673 358 H N 0.095 119.160 119.070 -0.008 0.000 2.745 358 H HA 0.297 4.853 4.556 -0.001 0.000 0.373 358 H C 0.945 176.293 175.328 0.034 0.000 1.226 358 H CA 0.855 56.912 56.048 0.014 0.000 1.435 358 H CB 0.364 30.141 29.762 0.024 0.000 1.461 358 H HN 0.741 nan 8.280 nan 0.000 0.616 359 Q N -0.872 119.040 119.800 0.186 0.000 2.180 359 Q HA 0.414 4.754 4.340 -0.001 0.000 0.241 359 Q C 0.583 176.645 176.000 0.103 0.000 0.970 359 Q CA -0.291 55.586 55.803 0.123 0.000 0.919 359 Q CB 1.680 30.479 28.738 0.102 0.000 1.222 359 Q HN 0.971 nan 8.270 nan 0.000 0.482 360 G N -0.496 108.347 108.800 0.072 0.000 2.159 360 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.170 360 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.170 360 G C 0.221 175.097 174.900 -0.040 0.000 1.007 360 G CA -0.372 44.749 45.100 0.035 0.000 0.672 360 G HN 0.608 nan 8.290 nan 0.000 0.507 361 C N 0.267 119.547 119.300 -0.033 0.000 2.827 361 C HA 0.558 5.018 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 -0.346 58.616 59.018 -0.095 0.000 2.161 361 C CB -0.327 27.388 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 -1.239 53.395 54.840 -0.344 0.000 0.832 362 L CB 0.028 41.987 42.059 -0.165 0.000 1.124 362 L HN 0.391 nan 8.230 nan 0.000 0.454 363 P HA 0.038 nan 4.420 nan 0.000 0.265 363 P C -2.062 175.337 177.300 0.166 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 0.257 177.538 177.300 -0.032 0.000 1.157 364 P CA 1.161 64.324 63.100 0.106 0.000 0.868 364 P CB -0.046 31.591 31.700 -0.105 0.000 0.788 365 F N 0.114 119.868 119.950 -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 -0.406 0.000 1.162 365 F CB 0.786 39.477 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 0.218 366 P C 1.025 178.293 177.300 -0.054 0.000 1.148 366 P CA 1.925 64.921 63.100 -0.174 0.000 0.822 366 P CB 0.061 31.652 31.700 -0.182 0.000 0.784 367 A N -1.143 121.487 122.820 -0.318 0.000 2.119 367 A HA -0.058 4.262 4.320 -0.001 0.000 0.217 367 A C 0.760 178.449 177.584 0.175 0.000 1.153 367 A CA 0.772 52.798 52.037 -0.017 0.000 0.692 367 A CB -1.011 18.037 19.000 0.080 0.000 0.799 367 A HN 0.111 nan 8.150 nan 0.000 0.458 368 D N -0.422 120.130 120.400 0.253 0.000 2.345 368 D HA 0.417 5.056 4.640 -0.001 0.000 0.247 368 D C -0.207 176.249 176.300 0.260 0.000 1.108 368 D CA 0.164 54.320 54.000 0.261 0.000 0.894 368 D CB 1.394 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 2.502 122.548 119.914 0.220 0.000 2.612 369 V HA 0.561 4.680 4.120 -0.001 0.000 0.301 369 V C -0.132 176.125 176.094 0.272 0.000 1.046 369 V CA -0.744 61.681 62.300 0.208 0.000 0.946 369 V CB 0.958 32.830 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 5.314 4.527 -0.001 0.000 0.320 370 F C -0.528 175.351 175.800 0.132 0.000 1.060 370 F CA -1.330 56.749 58.000 0.132 0.000 0.940 370 F CB 1.989 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 3.553 123.251 119.600 0.164 0.000 2.209 371 M HA 0.507 4.986 4.480 -0.001 0.000 0.355 371 M C -1.336 175.047 176.300 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 34.103 32.600 0.074 0.000 1.622 371 M HN 0.620 nan 8.290 nan 0.000 0.459 372 V N 8.278 128.192 119.914 0.000 0.000 2.439 372 V HA 0.192 4.312 4.120 -0.001 0.000 0.271 372 V C -1.996 174.025 176.094 -0.122 0.000 1.040 372 V CA -1.157 61.086 62.300 -0.096 0.000 1.002 372 V CB 0.147 31.761 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 -0.567 176.336 177.300 -0.662 0.000 1.238 373 P CA -0.164 62.650 63.100 -0.476 0.000 0.794 373 P CB 0.482 31.712 31.700 -0.783 0.000 0.959 374 Q N 0.226 119.643 119.800 -0.639 0.000 2.266 374 Q HA 0.286 4.625 4.340 -0.001 0.000 0.261 374 Q C -1.407 174.598 176.000 0.009 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 1.367 121.677 120.300 0.018 0.000 2.336 375 Y HA 0.553 5.102 4.550 -0.001 0.000 0.335 375 Y C -0.289 175.652 175.900 0.069 0.000 1.046 375 Y CA 0.257 58.409 58.100 0.086 0.000 1.198 375 Y CB 1.148 39.660 38.460 0.087 0.000 1.182 375 Y HN 0.625 nan 8.280 nan 0.000 0.502 376 G N 5.810 114.309 108.800 -0.502 0.000 2.731 376 G HA2 0.492 4.451 3.960 -0.001 0.000 0.298 376 G HA3 0.492 4.451 3.960 -0.001 0.000 0.298 376 G C -2.243 172.405 174.900 -0.420 0.000 1.424 376 G CA -0.802 44.091 45.100 -0.345 0.000 1.029 376 G HN 0.741 nan 8.290 nan 0.000 0.518 377 Y N -0.110 120.006 120.300 -0.306 0.000 2.605 377 Y HA 0.839 5.389 4.550 -0.001 0.000 0.343 377 Y C -0.926 175.000 175.900 0.043 0.000 1.036 377 Y CA -1.636 56.363 58.100 -0.168 0.000 1.065 377 Y CB 1.591 39.993 38.460 -0.096 0.000 1.288 377 Y HN 0.459 nan 8.280 nan 0.000 0.481 378 L N 1.395 122.736 121.223 0.197 0.000 2.304 378 L HA 0.838 5.178 4.340 -0.001 0.000 0.268 378 L C -0.442 176.622 176.870 0.323 0.000 1.010 378 L CA -0.744 54.208 54.840 0.186 0.000 0.813 378 L CB 2.481 44.644 42.059 0.172 0.000 1.315 378 L HN 0.938 nan 8.230 nan 0.000 0.445 379 T N 0.005 114.743 114.554 0.307 0.000 2.812 379 T HA 0.356 4.706 4.350 -0.001 0.000 0.294 379 T C -1.044 173.822 174.700 0.277 0.000 1.159 379 T CA -0.715 61.590 62.100 0.340 0.000 1.008 379 T CB 1.601 70.722 68.868 0.422 0.000 1.289 379 T HN 0.222 nan 8.240 nan 0.000 0.514 380 L N 3.325 124.685 121.223 0.229 0.000 2.540 380 L HA 0.353 4.692 4.340 -0.001 0.000 0.276 380 L C -0.088 176.865 176.870 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 5.076 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 -0.803 52.273 53.050 0.043 0.000 0.790 381 N CB 0.953 39.510 38.487 0.117 0.000 1.579 381 N HN 0.422 nan 8.380 nan 0.000 0.475 382 N N 0.834 119.495 118.700 -0.065 0.000 3.044 382 N HA 0.392 5.132 4.740 -0.001 0.000 0.254 382 N C 0.553 175.984 175.510 -0.131 0.000 1.253 382 N CA 0.874 53.881 53.050 -0.072 0.000 0.944 382 N CB -0.228 38.212 38.487 -0.078 0.000 1.217 382 N HN 1.025 nan 8.380 nan 0.000 0.498 383 G N 1.832 110.546 108.800 -0.143 0.000 2.527 383 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.262 383 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.262 383 G C 0.828 175.508 174.900 -0.366 0.000 1.153 383 G CA 0.497 45.359 45.100 -0.397 0.000 0.954 383 G HN 0.719 nan 8.290 nan 0.000 0.552 384 S N 0.388 115.837 115.700 -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 -0.128 0.000 0.996 384 S CA 1.462 59.584 58.200 -0.130 0.000 0.927 384 S CB 0.163 63.329 63.200 -0.056 0.000 0.774 384 S HN 0.769 nan 8.310 nan 0.000 0.524 385 Q N 0.490 120.169 119.800 -0.202 0.000 2.185 385 Q HA 0.749 5.089 4.340 -0.001 0.000 0.225 385 Q C -0.462 175.292 176.000 -0.411 0.000 0.983 385 Q CA -0.512 55.117 55.803 -0.290 0.000 0.950 385 Q CB 1.327 29.934 28.738 -0.220 0.000 1.176 385 Q HN 0.473 nan 8.270 nan 0.000 0.510 386 A N 0.305 122.767 122.820 -0.598 0.000 2.350 386 A HA 0.694 5.014 4.320 -0.001 0.000 0.318 386 A C -0.790 176.624 177.584 -0.284 0.000 1.132 386 A CA -0.619 51.078 52.037 -0.567 0.000 0.811 386 A CB 1.073 19.415 19.000 -1.097 0.000 1.313 386 A HN 0.443 nan 8.150 nan 0.000 0.454 387 V N 0.067 119.889 119.914 -0.153 0.000 3.109 387 V HA 0.495 4.614 4.120 -0.001 0.000 0.317 387 V C 1.752 177.813 176.094 -0.054 0.000 1.074 387 V CA 0.299 62.551 62.300 -0.080 0.000 1.033 387 V CB 1.315 33.121 31.823 -0.028 0.000 1.111 387 V HN 1.163 nan 8.190 nan 0.000 0.458 388 G N 0.321 109.102 108.800 -0.033 0.000 2.471 388 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.219 388 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.219 388 G C 1.261 176.168 174.900 0.011 0.000 1.125 388 G CA 0.164 45.255 45.100 -0.014 0.000 0.775 388 G HN 0.653 nan 8.290 nan 0.000 0.548 389 R N 0.512 121.024 120.500 0.020 0.000 2.310 389 R HA 0.188 4.528 4.340 -0.001 0.000 0.202 389 R C 0.592 176.932 176.300 0.066 0.000 0.933 389 R CA -0.178 55.946 56.100 0.041 0.000 1.054 389 R CB 0.165 30.491 30.300 0.043 0.000 0.985 389 R HN 0.181 nan 8.270 nan 0.000 0.489 390 S N 0.390 116.134 115.700 0.074 0.000 2.589 390 S HA 0.149 4.619 4.470 -0.001 0.000 0.265 390 S C 0.174 174.846 174.600 0.119 0.000 1.342 390 S CA -0.041 58.239 58.200 0.134 0.000 1.005 390 S CB 1.289 64.594 63.200 0.175 0.000 0.909 390 S HN 0.048 nan 8.310 nan 0.000 0.555 391 S N 1.207 116.985 115.700 0.129 0.000 2.532 391 S HA 0.538 5.007 4.470 -0.001 0.000 0.299 391 S C -1.179 173.323 174.600 -0.163 0.000 1.105 391 S CA -0.575 57.566 58.200 -0.099 0.000 1.018 391 S CB 0.869 63.929 63.200 -0.232 0.000 1.021 391 S HN 0.526 nan 8.310 nan 0.000 0.483 392 F N 3.886 123.573 119.950 -0.440 0.000 2.427 392 F HA 0.620 5.146 4.527 -0.001 0.000 0.346 392 F C -1.535 173.942 175.800 -0.538 0.000 1.120 392 F CA -1.252 56.462 58.000 -0.477 0.000 1.033 392 F CB 0.449 39.190 39.000 -0.433 0.000 1.126 392 F HN 0.548 nan 8.300 nan 0.000 0.462 393 Y N 5.219 125.180 120.300 -0.564 0.000 2.341 393 Y HA 0.457 5.007 4.550 -0.001 0.000 0.338 393 Y C -0.285 175.140 175.900 -0.792 0.000 0.965 393 Y CA -0.954 56.797 58.100 -0.582 0.000 1.108 393 Y CB 1.673 39.877 38.460 -0.427 0.000 1.180 393 Y HN 0.721 nan 8.280 nan 0.000 0.458 394 C N 5.953 124.952 119.300 -0.503 0.000 2.281 394 C HA 0.406 4.865 4.460 -0.001 0.000 0.323 394 C C 0.823 175.824 174.990 0.017 0.000 1.270 394 C CA -0.731 58.004 59.018 -0.472 0.000 1.559 394 C CB -0.973 26.466 27.740 -0.501 0.000 2.239 394 C HN 0.976 nan 8.230 nan 0.000 0.488 395 L N 4.388 125.689 121.223 0.129 0.000 2.622 395 L HA 0.097 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 1.299 56.099 54.840 -0.068 0.000 0.866 395 L CB -0.467 41.179 42.059 -0.689 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 0.317 0.000 2.371 396 E HA -0.134 4.216 4.350 -0.001 0.000 0.194 396 E C 1.349 178.044 176.600 0.159 0.000 1.012 396 E CA 0.518 57.109 56.400 0.319 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 -0.076 120.216 120.300 -0.014 0.000 2.477 397 Y HA 0.079 4.629 4.550 -0.001 0.000 0.303 397 Y C -0.297 175.391 175.900 -0.353 0.000 1.202 397 Y CA -0.135 57.871 58.100 -0.157 0.000 1.282 397 Y CB -0.031 38.309 38.460 -0.199 0.000 1.071 397 Y HN -0.229 nan 8.280 nan 0.000 0.510 398 F N 1.336 121.031 119.950 -0.425 0.000 2.436 398 F HA 0.413 4.940 4.527 -0.001 0.000 0.340 398 F C -2.057 173.376 175.800 -0.611 0.000 1.113 398 F CA -3.117 54.474 58.000 -0.681 0.000 1.022 398 F CB 0.753 38.958 39.000 -1.325 0.000 1.128 398 F HN -0.070 nan 8.300 nan 0.000 0.466 399 P HA 0.122 nan 4.420 nan 0.000 0.262 399 P C -0.974 176.249 177.300 -0.128 0.000 1.199 399 P CA 0.000 62.991 63.100 -0.182 0.000 0.763 399 P CB 0.534 32.154 31.700 -0.134 0.000 0.790 400 S N 1.837 117.526 115.700 -0.019 0.000 2.548 400 S HA 0.397 4.867 4.470 -0.001 0.000 0.286 400 S C -0.809 173.888 174.600 0.162 0.000 1.098 400 S CA -0.992 57.290 58.200 0.137 0.000 0.930 400 S CB 1.683 65.047 63.200 0.274 0.000 1.070 400 S HN 0.431 nan 8.310 nan 0.000 0.480 401 Q N 1.960 121.886 119.800 0.210 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 -0.266 55.655 55.803 0.197 0.000 0.933 401 Q CB 0.581 29.491 28.738 0.286 0.000 1.189 401 Q HN 0.747 nan 8.270 nan 0.000 0.417 402 M N 4.298 123.978 119.600 0.133 0.000 2.209 402 M HA 0.339 4.819 4.480 -0.001 0.000 0.355 402 M C -1.181 175.184 176.300 0.108 0.000 1.171 402 M CA -0.679 54.685 55.300 0.107 0.000 1.069 402 M CB 0.984 33.629 32.600 0.076 0.000 1.622 402 M HN 0.445 nan 8.290 nan 0.000 0.459 403 L N 2.649 123.935 121.223 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 -0.100 120.447 120.500 0.079 0.000 2.606 404 R HA 0.650 4.990 4.340 -0.001 0.000 0.249 404 R C -0.524 175.817 176.300 0.069 0.000 1.127 404 R CA -0.538 55.598 56.100 0.060 0.000 1.133 404 R CB 1.019 31.346 30.300 0.046 0.000 1.243 404 R HN 0.639 nan 8.270 nan 0.000 0.558 405 T N 0.816 115.400 114.554 0.050 0.000 2.784 405 T HA 0.335 4.685 4.350 -0.001 0.000 0.291 405 T C 0.787 175.522 174.700 0.058 0.000 0.942 405 T CA 0.952 63.083 62.100 0.051 0.000 1.161 405 T CB 0.519 69.403 68.868 0.026 0.000 0.885 405 T HN 0.785 nan 8.240 nan 0.000 0.534 406 G N 3.553 112.401 108.800 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 1.655 120.420 118.700 0.109 0.000 2.508 407 N HA 0.598 5.338 4.740 -0.001 0.000 0.285 407 N C -0.136 175.480 175.510 0.175 0.000 1.144 407 N CA -0.122 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 -0.343 118.469 118.700 0.186 0.000 2.455 408 N HA 0.439 5.179 4.740 -0.001 0.000 0.278 408 N C -1.759 173.922 175.510 0.285 0.000 1.291 408 N CA -0.583 52.614 53.050 0.245 0.000 0.780 408 N CB 1.329 39.942 38.487 0.211 0.000 1.520 408 N HN 0.359 nan 8.380 nan 0.000 0.486 409 F N -0.011 120.032 119.950 0.156 0.000 2.520 409 F HA 0.531 5.058 4.527 -0.000 0.000 0.322 409 F C -0.689 175.211 175.800 0.167 0.000 1.103 409 F CA -0.454 57.640 58.000 0.157 0.000 0.926 409 F CB 2.030 41.136 39.000 0.176 0.000 1.154 409 F HN 0.569 nan 8.300 nan 0.000 0.453 410 Q N 5.113 124.545 119.800 -0.614 0.000 2.375 410 Q HA 0.612 4.952 4.340 -0.001 0.000 0.271 410 Q C -2.096 173.675 176.000 -0.381 0.000 1.074 410 Q CA -0.609 54.993 55.803 -0.335 0.000 0.808 410 Q CB 2.166 30.788 28.738 -0.194 0.000 1.327 410 Q HN 0.679 nan 8.270 nan 0.000 0.441 411 F N 1.051 120.870 119.950 -0.218 0.000 2.622 411 F HA 0.598 5.125 4.527 -0.001 0.000 0.318 411 F C -1.527 174.263 175.800 -0.016 0.000 1.135 411 F CA -0.252 57.679 58.000 -0.116 0.000 1.015 411 F CB 1.680 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 5.181 120.374 115.700 -0.845 0.000 2.500 412 S HA 0.560 5.030 4.470 -0.001 0.000 0.301 412 S C -1.891 172.188 174.600 -0.867 0.000 1.092 412 S CA -0.554 57.245 58.200 -0.667 0.000 1.030 412 S CB 1.663 64.640 63.200 -0.371 0.000 1.031 412 S HN 0.622 nan 8.310 nan 0.000 0.483 413 Y N 1.358 121.230 120.300 -0.713 0.000 2.545 413 Y HA 0.638 5.187 4.550 -0.001 0.000 0.348 413 Y C -0.956 174.677 175.900 -0.447 0.000 1.002 413 Y CA -0.470 57.277 58.100 -0.588 0.000 1.039 413 Y CB 1.801 39.957 38.460 -0.507 0.000 1.271 413 Y HN 0.522 nan 8.280 nan 0.000 0.467 414 T N 6.323 120.103 114.554 -1.291 0.000 2.864 414 T HA 0.380 4.729 4.350 -0.001 0.000 0.299 414 T C -0.875 173.112 174.700 -1.189 0.000 1.011 414 T CA -0.431 61.099 62.100 -0.951 0.000 0.975 414 T CB -0.090 68.469 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 -0.755 0.000 2.595 415 F HA 0.137 4.664 4.527 -0.001 0.000 0.359 415 F C 1.627 177.238 175.800 -0.315 0.000 1.147 415 F CA -0.199 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 0.654 120.864 120.200 0.018 0.000 2.622 416 E HA 0.175 4.525 4.350 -0.001 0.000 0.255 416 E C -1.186 175.395 176.600 -0.031 0.000 1.313 416 E CA -0.980 55.410 56.400 -0.017 0.000 1.011 416 E CB 0.346 30.067 29.700 0.035 0.000 1.173 416 E HN 0.356 nan 8.360 nan 0.000 0.601 417 D N 0.473 120.850 120.400 -0.038 0.000 2.358 417 D HA 0.226 4.866 4.640 -0.001 0.000 0.258 417 D C -1.139 175.132 176.300 -0.049 0.000 1.223 417 D CA 0.121 54.088 54.000 -0.055 0.000 0.886 417 D CB 1.197 41.978 40.800 -0.032 0.000 1.120 417 D HN 0.230 nan 8.370 nan 0.000 0.482 418 V N 4.566 124.421 119.914 -0.099 0.000 2.668 418 V HA 0.397 4.516 4.120 -0.001 0.000 0.304 418 V C -2.560 173.499 176.094 -0.058 0.000 1.071 418 V CA -2.218 60.052 62.300 -0.050 0.000 0.894 418 V CB 2.153 33.959 31.823 -0.028 0.000 1.008 418 V HN 0.342 nan 8.190 nan 0.000 0.425 419 P HA 0.076 nan 4.420 nan 0.000 0.263 419 P C -0.437 176.995 177.300 0.219 0.000 1.175 419 P CA 0.399 63.581 63.100 0.137 0.000 0.761 419 P CB 0.007 31.791 31.700 0.139 0.000 0.794 420 F N 1.343 121.385 119.950 0.154 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 0.192 0.000 1.148 420 F CA 0.653 58.764 58.000 0.184 0.000 1.352 420 F CB -0.092 38.992 39.000 0.139 0.000 1.081 420 F HN 0.430 nan 8.300 nan 0.000 0.605 421 H N 0.654 119.830 119.070 0.176 0.000 2.607 421 H HA 0.259 4.814 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 -0.555 55.442 56.048 -0.085 0.000 1.402 421 H CB 0.759 30.229 29.762 -0.487 0.000 1.474 421 H HN 0.450 nan 8.280 nan 0.000 0.596 422 S N 2.760 117.849 115.700 -1.018 0.000 2.681 422 S HA 0.065 4.535 4.470 -0.001 0.000 0.313 422 S C 0.199 174.381 174.600 -0.698 0.000 1.137 422 S CA -0.368 57.348 58.200 -0.807 0.000 1.045 422 S CB 0.056 62.636 63.200 -1.034 0.000 1.208 422 S HN 0.597 nan 8.310 nan 0.000 0.523 423 S N 2.740 118.377 115.700 -0.106 0.000 2.763 423 S HA 0.203 4.672 4.470 -0.001 0.000 0.237 423 S C -0.067 174.590 174.600 0.096 0.000 0.966 423 S CA -0.446 57.811 58.200 0.094 0.000 1.017 423 S CB -0.590 62.785 63.200 0.293 0.000 0.780 423 S HN 0.803 nan 8.310 nan 0.000 0.476 424 Y N -1.585 118.596 120.300 -0.198 0.000 2.638 424 Y HA 0.886 5.435 4.550 -0.001 0.000 0.339 424 Y C -0.769 174.914 175.900 -0.361 0.000 1.084 424 Y CA -1.944 55.966 58.100 -0.317 0.000 1.068 424 Y CB 0.779 38.834 38.460 -0.675 0.000 1.294 424 Y HN -0.066 nan 8.280 nan 0.000 0.480 425 A N 1.255 123.941 122.820 -0.223 0.000 2.422 425 A HA 0.524 4.843 4.320 -0.001 0.000 0.302 425 A C -1.542 175.928 177.584 -0.190 0.000 1.041 425 A CA -0.909 50.958 52.037 -0.284 0.000 0.708 425 A CB 0.706 19.616 19.000 -0.150 0.000 1.257 425 A HN 0.862 nan 8.150 nan 0.000 0.414 426 H N 1.984 121.051 119.070 -0.005 0.000 2.803 426 H HA 0.127 4.683 4.556 -0.001 0.000 0.330 426 H C 1.251 176.574 175.328 -0.008 0.000 1.057 426 H CA 0.922 56.971 56.048 0.001 0.000 1.458 426 H CB 1.187 30.944 29.762 -0.009 0.000 1.470 426 H HN 0.776 nan 8.280 nan 0.000 0.560 427 S N 2.028 117.790 115.700 0.103 0.000 2.528 427 S HA 0.027 4.497 4.470 -0.001 0.000 0.219 427 S C 0.677 175.313 174.600 0.062 0.000 0.985 427 S CA -0.093 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 0.658 120.499 119.800 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 0.381 4.850 4.470 -0.001 0.000 0.302 429 S C 0.715 175.296 174.600 -0.032 0.000 1.096 429 S CA -0.610 57.578 58.200 -0.021 0.000 0.953 429 S CB 0.893 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 1.451 122.653 121.223 -0.034 0.000 2.017 430 L HA -0.077 4.263 4.340 -0.001 0.000 0.208 430 L C 2.017 178.899 176.870 0.020 0.000 1.073 430 L CA 1.887 56.723 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 -1.170 119.230 120.400 -0.000 0.000 2.289 431 D HA -0.123 4.517 4.640 -0.001 0.000 0.207 431 D C 0.947 177.239 176.300 -0.012 0.000 0.966 431 D CA 0.382 54.377 54.000 -0.009 0.000 0.868 431 D CB -0.065 40.719 40.800 -0.027 0.000 0.943 431 D HN 0.167 nan 8.370 nan 0.000 0.514 432 R N 0.980 121.475 120.500 -0.009 0.000 3.863 432 R HA 0.230 4.569 4.340 -0.001 0.000 0.304 432 R C 0.729 177.029 176.300 -0.001 0.000 1.485 432 R CA -0.258 55.837 56.100 -0.008 0.000 1.355 432 R CB 0.343 30.639 30.300 -0.006 0.000 1.457 432 R HN 0.215 nan 8.270 nan 0.000 0.669 433 L N 0.411 121.637 121.223 0.006 0.000 2.575 433 L HA 0.197 4.536 4.340 -0.001 0.000 0.228 433 L C 0.442 177.321 176.870 0.014 0.000 1.075 433 L CA 0.764 55.614 54.840 0.016 0.000 0.867 433 L CB 0.155 42.241 42.059 0.044 0.000 1.097 433 L HN 0.159 nan 8.230 nan 0.000 0.485 434 M N -0.717 118.884 119.600 0.002 0.000 1.801 434 M HA 0.215 4.695 4.480 -0.001 0.000 0.198 434 M C 0.445 176.739 176.300 -0.010 0.000 1.248 434 M CA -0.054 55.241 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 0.478 119.168 118.700 -0.017 0.000 2.422 435 N HA 0.347 5.087 4.740 -0.001 0.000 0.266 435 N C -2.212 173.288 175.510 -0.015 0.000 1.007 435 N CA -1.679 51.364 53.050 -0.012 0.000 0.941 435 N CB 1.054 39.535 38.487 -0.009 0.000 1.115 435 N HN 0.325 nan 8.380 nan 0.000 0.492 436 P HA -0.011 nan 4.420 nan 0.000 0.225 436 P C 0.902 178.196 177.300 -0.009 0.000 1.148 436 P CA 0.643 63.737 63.100 -0.010 0.000 0.779 436 P CB 0.553 32.249 31.700 -0.006 0.000 0.780 437 L N -2.041 119.178 121.223 -0.007 0.000 2.316 437 L HA 0.127 4.466 4.340 -0.001 0.000 0.207 437 L C 1.083 177.951 176.870 -0.004 0.000 1.070 437 L CA 0.756 55.593 54.840 -0.005 0.000 0.820 437 L CB -0.421 41.636 42.059 -0.002 0.000 0.992 437 L HN -0.139 nan 8.230 nan 0.000 0.466 438 I N -0.410 120.156 120.570 -0.007 0.000 2.577 438 I HA 0.282 4.452 4.170 -0.001 0.000 0.305 438 I C -0.512 175.593 176.117 -0.020 0.000 0.986 438 I CA -0.833 60.463 61.300 -0.006 0.000 1.189 438 I CB 1.010 39.011 38.000 0.001 0.000 1.355 438 I HN -0.019 nan 8.210 nan 0.000 0.476 439 D N 2.946 123.335 120.400 -0.018 0.000 2.253 439 D HA 0.358 4.998 4.640 -0.001 0.000 0.249 439 D C 0.060 176.319 176.300 -0.068 0.000 1.049 439 D CA -0.403 53.574 54.000 -0.039 0.000 0.929 439 D CB 0.769 41.552 40.800 -0.030 0.000 1.176 439 D HN 0.338 nan 8.370 nan 0.000 0.437 440 Q N 0.252 119.980 119.800 -0.120 0.000 2.417 440 Q HA 0.136 4.476 4.340 -0.001 0.000 0.241 440 Q C 0.175 176.066 176.000 -0.181 0.000 1.008 440 Q CA -0.233 55.435 55.803 -0.225 0.000 0.901 440 Q CB 0.634 29.223 28.738 -0.248 0.000 1.259 440 Q HN 0.676 nan 8.270 nan 0.000 0.489 441 Y N -0.844 119.422 120.300 -0.057 0.000 2.457 441 Y HA 0.368 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 0.297 38.763 38.460 0.010 0.000 1.097 441 Y HN 0.249 nan 8.280 nan 0.000 0.523 442 L N 0.908 122.097 121.223 -0.057 0.000 2.399 442 L HA 0.370 4.709 4.340 -0.001 0.000 0.265 442 L C -1.021 175.827 176.870 -0.036 0.000 1.089 442 L CA -0.944 53.933 54.840 0.063 0.000 0.802 442 L CB 0.935 42.984 42.059 -0.017 0.000 1.180 442 L HN 0.095 nan 8.230 nan 0.000 0.454 443 Y N 0.509 120.869 120.300 0.101 0.000 2.429 443 Y HA 0.460 5.010 4.550 -0.001 0.000 0.342 443 Y C -0.411 175.596 175.900 0.178 0.000 1.004 443 Y CA -0.573 57.583 58.100 0.093 0.000 1.075 443 Y CB 1.788 40.235 38.460 -0.021 0.000 1.214 443 Y HN 0.383 nan 8.280 nan 0.000 0.455 444 Y N 0.382 120.830 120.300 0.246 0.000 2.605 444 Y HA 0.734 5.284 4.550 -0.001 0.000 0.343 444 Y C -1.700 174.403 175.900 0.338 0.000 1.036 444 Y CA -1.754 56.480 58.100 0.223 0.000 1.065 444 Y CB 1.161 39.682 38.460 0.103 0.000 1.288 444 Y HN 0.545 nan 8.280 nan 0.000 0.481 445 L N 2.884 124.315 121.223 0.347 0.000 2.276 445 L HA 0.403 4.743 4.340 -0.001 0.000 0.286 445 L C 0.007 176.929 176.870 0.087 0.000 1.061 445 L CA -0.164 54.742 54.840 0.109 0.000 0.807 445 L CB 0.880 42.976 42.059 0.063 0.000 1.177 445 L HN 1.070 nan 8.230 nan 0.000 0.429 446 N N 2.188 120.855 118.700 -0.054 0.000 2.145 446 N HA 0.173 4.913 4.740 -0.001 0.000 0.219 446 N C -0.487 175.009 175.510 -0.025 0.000 1.266 446 N CA -0.648 52.432 53.050 0.048 0.000 0.902 446 N CB 0.641 39.203 38.487 0.124 0.000 1.078 446 N HN 0.312 nan 8.380 nan 0.000 0.513 447 R N 0.965 121.398 120.500 -0.111 0.000 2.502 447 R HA 0.263 4.603 4.340 -0.001 0.000 0.300 447 R C -0.005 176.207 176.300 -0.148 0.000 0.984 447 R CA -0.311 55.725 56.100 -0.107 0.000 0.882 447 R CB 1.480 31.718 30.300 -0.103 0.000 1.180 447 R HN 0.269 nan 8.270 nan 0.000 0.444 448 T N -1.789 112.706 114.554 -0.098 0.000 3.034 448 T HA -0.044 4.306 4.350 -0.001 0.000 0.248 448 T C 1.221 175.875 174.700 -0.076 0.000 1.040 448 T CA 0.483 62.526 62.100 -0.096 0.000 1.107 448 T CB 0.406 69.238 68.868 -0.060 0.000 0.932 448 T HN 0.586 nan 8.240 nan 0.000 0.474 449 Q N 0.971 120.736 119.800 -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 -0.568 28.151 28.738 -0.032 0.000 1.294 449 Q HN 0.293 nan 8.270 nan 0.000 0.553 450 G N 2.266 111.045 108.800 -0.036 0.000 2.198 450 G HA2 0.195 4.154 3.960 -0.001 0.000 0.280 450 G HA3 0.195 4.154 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 0.768 45.851 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 0.308 4.658 4.350 -0.001 0.000 0.272 451 T C 1.024 175.713 174.700 -0.019 0.000 1.046 451 T CA -0.525 61.559 62.100 -0.027 0.000 0.983 451 T CB 0.544 69.395 68.868 -0.027 0.000 1.721 451 T HN 0.165 nan 8.240 nan 0.000 0.594 452 T N 2.726 117.270 114.554 -0.016 0.000 4.216 452 T HA 0.107 4.456 4.350 -0.001 0.000 0.221 452 T C 0.457 175.150 174.700 -0.011 0.000 0.939 452 T CA 0.126 62.219 62.100 -0.011 0.000 1.218 452 T CB -0.784 68.078 68.868 -0.009 0.000 1.266 452 T HN 0.494 nan 8.240 nan 0.000 0.917 453 S N 1.951 117.645 115.700 -0.011 0.000 2.429 453 S HA 0.483 4.952 4.470 -0.001 0.000 0.292 453 S C 1.147 175.743 174.600 -0.008 0.000 1.183 453 S CA 0.179 58.373 58.200 -0.010 0.000 1.088 453 S CB -0.126 63.067 63.200 -0.011 0.000 1.018 453 S HN 0.844 nan 8.310 nan 0.000 0.511 454 G N 3.582 112.378 108.800 -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 -0.293 174.603 174.900 -0.006 0.000 1.261 454 G CA -0.220 44.876 45.100 -0.006 0.000 1.043 454 G HN 0.583 nan 8.290 nan 0.000 0.382 455 T N 2.283 116.834 114.554 -0.006 0.000 2.794 455 T HA 0.498 4.848 4.350 -0.001 0.000 0.280 455 T C 0.348 175.044 174.700 -0.007 0.000 0.987 455 T CA 0.612 62.709 62.100 -0.006 0.000 0.993 455 T CB 1.349 70.214 68.868 -0.005 0.000 0.939 455 T HN 0.611 nan 8.240 nan 0.000 0.449 456 T N 3.639 118.189 114.554 -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 0.546 62.642 62.100 -0.007 0.000 1.887 456 T CB -1.213 67.651 68.868 -0.006 0.000 1.811 456 T HN 0.622 nan 8.240 nan 0.000 0.749 457 N N 1.618 120.312 118.700 -0.010 0.000 2.841 457 N HA 0.117 4.857 4.740 -0.001 0.000 0.257 457 N C 1.412 176.913 175.510 -0.015 0.000 1.396 457 N CA -0.502 52.540 53.050 -0.013 0.000 0.823 457 N CB 1.292 39.771 38.487 -0.014 0.000 1.162 457 N HN 0.530 nan 8.380 nan 0.000 0.503 458 Q N 0.282 120.073 119.800 -0.015 0.000 1.984 458 Q HA 0.032 4.371 4.340 -0.001 0.000 0.196 458 Q C 0.252 176.240 176.000 -0.020 0.000 0.975 458 Q CA 0.920 56.714 55.803 -0.015 0.000 0.827 458 Q CB -0.197 28.534 28.738 -0.013 0.000 0.894 458 Q HN 0.320 nan 8.270 nan 0.000 0.438 459 S N -0.841 114.845 115.700 -0.023 0.000 2.550 459 S HA 0.761 5.230 4.470 -0.001 0.000 0.270 459 S C -1.031 173.546 174.600 -0.037 0.000 1.145 459 S CA -1.038 57.143 58.200 -0.031 0.000 0.852 459 S CB 3.071 66.254 63.200 -0.029 0.000 1.119 459 S HN 0.449 nan 8.310 nan 0.000 0.465 460 R N 1.066 121.533 120.500 -0.054 0.000 2.579 460 R HA 0.394 4.733 4.340 -0.001 0.000 0.260 460 R C -1.966 174.265 176.300 -0.115 0.000 1.103 460 R CA -0.750 55.310 56.100 -0.066 0.000 0.942 460 R CB 1.054 31.321 30.300 -0.055 0.000 1.251 460 R HN 0.806 nan 8.270 nan 0.000 0.450 461 L N 5.684 126.825 121.223 -0.137 0.000 2.325 461 L HA 0.392 4.732 4.340 -0.001 0.000 0.284 461 L C -0.468 176.142 176.870 -0.434 0.000 1.089 461 L CA -0.224 54.446 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 4.124 125.011 121.223 -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 1.917 43.852 42.059 -0.207 0.000 1.279 462 L HN 0.336 nan 8.230 nan 0.000 0.412 463 F N 0.274 120.180 119.950 -0.073 0.000 2.522 463 F HA 0.582 5.109 4.527 -0.001 0.000 0.324 463 F C 0.380 176.123 175.800 -0.095 0.000 1.077 463 F CA -0.585 57.355 58.000 -0.101 0.000 0.944 463 F CB 2.198 41.166 39.000 -0.054 0.000 1.175 463 F HN 0.261 nan 8.300 nan 0.000 0.468 464 S N 0.666 116.272 115.700 -0.157 0.000 2.536 464 S HA 0.321 4.791 4.470 -0.001 0.000 0.298 464 S C -1.024 173.384 174.600 -0.320 0.000 1.083 464 S CA -0.867 57.194 58.200 -0.231 0.000 0.995 464 S CB 1.823 64.788 63.200 -0.391 0.000 1.058 464 S HN 0.638 nan 8.310 nan 0.000 0.488 465 Q N 2.118 121.753 119.800 -0.276 0.000 2.288 465 Q HA 0.544 4.883 4.340 -0.001 0.000 0.258 465 Q C -0.226 175.713 176.000 -0.101 0.000 0.957 465 Q CA -0.712 54.718 55.803 -0.622 0.000 0.919 465 Q CB 0.776 29.082 28.738 -0.720 0.000 1.185 465 Q HN 0.782 nan 8.270 nan 0.000 0.408 466 A N 3.396 126.254 122.820 0.064 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 52.894 52.037 0.135 0.000 0.755 466 A CB 0.090 19.084 19.000 -0.010 0.000 0.980 466 A HN 0.887 nan 8.150 nan 0.000 0.506 467 G N 1.086 109.897 108.800 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 -2.404 172.486 174.900 -0.018 0.000 1.364 467 G CA -1.026 44.070 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 1.512 178.804 177.300 -0.014 0.000 1.147 468 P CA 1.064 64.153 63.100 -0.018 0.000 0.790 468 P CB 0.308 32.001 31.700 -0.012 0.000 0.780 469 Q N -0.335 119.464 119.800 -0.003 0.000 2.096 469 Q HA -0.017 4.323 4.340 -0.001 0.000 0.197 469 Q C 1.081 177.083 176.000 0.002 0.000 0.964 469 Q CA 1.325 57.130 55.803 0.005 0.000 0.838 469 Q CB -0.471 28.277 28.738 0.016 0.000 0.906 469 Q HN 0.285 nan 8.270 nan 0.000 0.444 470 S N -0.022 115.681 115.700 0.005 0.000 3.983 470 S HA 0.218 4.687 4.470 -0.001 0.000 0.194 470 S C 0.838 175.385 174.600 -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 63.367 63.200 0.032 0.000 1.424 470 S HN 0.221 nan 8.310 nan 0.000 0.473 471 M N 2.341 121.902 119.600 -0.065 0.000 2.156 471 M HA -0.060 4.420 4.480 -0.001 0.000 0.264 471 M C 1.819 178.063 176.300 -0.093 0.000 1.067 471 M CA 1.564 56.822 55.300 -0.071 0.000 1.131 471 M CB -0.061 32.512 32.600 -0.044 0.000 1.368 471 M HN 0.676 nan 8.290 nan 0.000 0.416 472 S N -0.735 114.910 115.700 -0.093 0.000 2.679 472 S HA 0.210 4.680 4.470 -0.001 0.000 0.233 472 S C 0.887 175.399 174.600 -0.146 0.000 0.951 472 S CA -0.297 57.844 58.200 -0.099 0.000 0.973 472 S CB -0.386 62.772 63.200 -0.071 0.000 0.778 472 S HN 0.566 nan 8.310 nan 0.000 0.477 473 L N -0.489 120.598 121.223 -0.226 0.000 2.993 473 L HA 0.310 4.650 4.340 -0.001 0.000 0.264 473 L C 0.653 177.222 176.870 -0.503 0.000 1.154 473 L CA -0.234 54.370 54.840 -0.393 0.000 0.972 473 L CB 0.174 41.902 42.059 -0.552 0.000 1.373 473 L HN 0.254 nan 8.230 nan 0.000 0.564 474 Q N 1.194 120.793 119.800 -0.335 0.000 2.432 474 Q HA 0.337 4.677 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 0.975 29.612 28.738 -0.169 0.000 1.280 474 Q HN 0.273 nan 8.270 nan 0.000 0.455 475 A N 1.925 124.654 122.820 -0.151 0.000 2.520 475 A HA 0.195 4.514 4.320 -0.001 0.000 0.235 475 A C -0.041 177.474 177.584 -0.117 0.000 1.065 475 A CA 0.259 52.228 52.037 -0.114 0.000 0.764 475 A CB 0.305 19.246 19.000 -0.098 0.000 1.002 475 A HN 0.578 nan 8.150 nan 0.000 0.502 476 R N 0.335 120.769 120.500 -0.111 0.000 2.807 476 R HA 0.449 4.789 4.340 -0.001 0.000 0.276 476 R C 0.228 176.410 176.300 -0.197 0.000 0.979 476 R CA -0.617 55.415 56.100 -0.113 0.000 0.928 476 R CB 1.149 31.407 30.300 -0.069 0.000 1.191 476 R HN 0.735 nan 8.270 nan 0.000 0.471 477 N N 0.236 118.748 118.700 -0.312 0.000 2.250 477 N HA 0.163 4.903 4.740 -0.001 0.000 0.190 477 N C -1.022 173.878 175.510 -1.016 0.000 1.116 477 N CA 0.338 52.935 53.050 -0.756 0.000 0.881 477 N CB 0.456 38.333 38.487 -1.017 0.000 1.006 477 N HN 0.369 nan 8.380 nan 0.000 0.491 478 W N 0.079 121.378 121.300 -0.002 0.000 3.083 478 W HA 0.546 5.205 4.660 -0.001 0.000 0.333 478 W C -0.696 175.835 176.519 0.019 0.000 1.217 478 W CA -0.766 56.586 57.345 0.012 0.000 1.170 478 W CB 0.811 30.270 29.460 -0.001 0.000 1.437 478 W HN -0.371 nan 8.180 nan 0.000 0.557 479 L N 2.022 123.427 121.223 0.304 0.000 2.303 479 L HA 0.652 4.991 4.340 -0.001 0.000 0.266 479 L C -2.141 174.854 176.870 0.208 0.000 1.011 479 L CA -2.725 52.238 54.840 0.204 0.000 0.818 479 L CB 0.535 42.714 42.059 0.200 0.000 1.326 479 L HN 0.068 nan 8.230 nan 0.000 0.435 480 P HA 0.243 nan 4.420 nan 0.000 0.274 480 P C -0.116 177.342 177.300 0.264 0.000 1.256 480 P CA -0.373 62.828 63.100 0.168 0.000 0.795 480 P CB 0.442 32.192 31.700 0.082 0.000 1.038 481 G N 0.680 109.641 108.800 0.268 0.000 2.667 481 G HA2 0.306 4.266 3.960 -0.001 0.000 0.250 481 G HA3 0.306 4.266 3.960 -0.001 0.000 0.250 481 G C -2.280 172.685 174.900 0.108 0.000 1.212 481 G CA -0.930 44.318 45.100 0.246 0.000 0.874 481 G HN 0.363 nan 8.290 nan 0.000 0.561 482 P HA 0.209 nan 4.420 nan 0.000 0.273 482 P C 0.106 177.333 177.300 -0.123 0.000 1.258 482 P CA -0.030 62.943 63.100 -0.213 0.000 0.802 482 P CB 0.600 32.063 31.700 -0.395 0.000 1.040 483 C N -1.862 117.345 119.300 -0.154 0.000 3.285 483 C HA 0.706 5.165 4.460 -0.001 0.000 0.325 483 C C -1.717 173.297 174.990 0.040 0.000 1.304 483 C CA -0.721 58.277 59.018 -0.033 0.000 1.319 483 C CB 0.697 28.459 27.740 0.037 0.000 1.640 483 C HN 0.603 nan 8.230 nan 0.000 0.477 484 Y N 1.717 121.975 120.300 -0.070 0.000 2.379 484 Y HA 0.491 5.041 4.550 -0.001 0.000 0.342 484 Y C 0.341 176.227 175.900 -0.023 0.000 1.126 484 Y CA -0.327 57.740 58.100 -0.054 0.000 1.310 484 Y CB 0.510 38.945 38.460 -0.042 0.000 1.115 484 Y HN 1.054 nan 8.280 nan 0.000 0.505 485 R N 3.691 124.074 120.500 -0.195 0.000 2.500 485 R HA 0.017 4.356 4.340 -0.001 0.000 0.281 485 R C -0.475 175.747 176.300 -0.129 0.000 0.953 485 R CA 0.809 56.827 56.100 -0.137 0.000 1.108 485 R CB 0.494 30.701 30.300 -0.155 0.000 0.901 485 R HN 0.608 nan 8.270 nan 0.000 0.410 486 Q N 2.317 122.075 119.800 -0.070 0.000 2.297 486 Q HA 0.141 4.480 4.340 -0.001 0.000 0.268 486 Q C -0.828 175.110 176.000 -0.104 0.000 1.045 486 Q CA -0.939 54.811 55.803 -0.088 0.000 0.861 486 Q CB 1.833 30.516 28.738 -0.093 0.000 1.344 486 Q HN 0.515 nan 8.270 nan 0.000 0.452 487 Q N 1.231 120.964 119.800 -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 0.752 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 3.128 123.569 120.500 -0.098 0.000 2.308 488 R HA 0.419 4.759 4.340 -0.001 0.000 0.305 488 R C -1.216 175.044 176.300 -0.066 0.000 1.053 488 R CA -0.384 55.654 56.100 -0.103 0.000 0.957 488 R CB 0.295 30.512 30.300 -0.139 0.000 1.022 488 R HN 0.531 nan 8.270 nan 0.000 0.461 489 L N 2.080 123.183 121.223 -0.200 0.000 2.354 489 L HA 0.428 4.768 4.340 -0.001 0.000 0.269 489 L C -0.236 176.599 176.870 -0.058 0.000 1.005 489 L CA -0.171 54.534 54.840 -0.225 0.000 0.819 489 L CB 2.040 43.693 42.059 -0.676 0.000 1.311 489 L HN 0.586 nan 8.230 nan 0.000 0.423 490 S N 0.232 115.995 115.700 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 57.638 58.200 0.026 0.000 1.059 490 S CB 1.039 64.210 63.200 -0.049 0.000 1.046 490 S HN 0.644 nan 8.310 nan 0.000 0.506 491 K N 1.323 121.778 120.400 0.092 0.000 2.288 491 K HA 0.027 4.346 4.320 -0.001 0.000 0.201 491 K C 0.224 176.834 176.600 0.017 0.000 1.048 491 K CA 0.692 57.033 56.287 0.091 0.000 0.956 491 K CB -0.224 32.275 32.500 -0.003 0.000 0.746 491 K HN 0.496 nan 8.250 nan 0.000 0.461 492 T N 1.871 116.407 114.554 -0.031 0.000 2.738 492 T HA 0.179 4.529 4.350 -0.001 0.000 0.293 492 T C 0.598 175.308 174.700 0.018 0.000 0.913 492 T CA -0.288 61.799 62.100 -0.022 0.000 1.103 492 T CB 1.234 70.073 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 0.046 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 0.102 52.164 52.037 0.041 0.000 0.985 493 A CB -0.671 18.347 19.000 0.030 0.000 0.858 493 A HN 0.948 nan 8.150 nan 0.000 0.496 494 N N -2.654 116.071 118.700 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 0.100 38.605 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 0.183 176.551 176.300 0.115 0.000 0.962 495 D CA 0.674 54.734 54.000 0.099 0.000 0.865 495 D CB 0.014 40.894 40.800 0.132 0.000 0.939 495 D HN 0.268 nan 8.370 nan 0.000 0.510 496 N N 1.113 119.886 118.700 0.121 0.000 2.445 496 N HA 0.013 4.753 4.740 -0.001 0.000 0.264 496 N C 0.061 175.644 175.510 0.123 0.000 1.227 496 N CA -0.275 52.866 53.050 0.151 0.000 0.963 496 N CB 0.395 39.010 38.487 0.214 0.000 1.188 496 N HN 0.027 nan 8.380 nan 0.000 0.491 497 N N 0.858 119.627 118.700 0.116 0.000 2.492 497 N HA -0.088 4.651 4.740 -0.001 0.000 0.262 497 N C -0.258 175.341 175.510 0.148 0.000 1.202 497 N CA 0.235 53.325 53.050 0.066 0.000 0.926 497 N CB 0.086 38.525 38.487 -0.080 0.000 1.078 497 N HN 0.450 nan 8.380 nan 0.000 0.454 498 N N 1.875 120.630 118.700 0.093 0.000 3.193 498 N HA -0.024 4.715 4.740 -0.001 0.000 0.312 498 N C -1.038 174.538 175.510 0.110 0.000 1.261 498 N CA -0.164 52.943 53.050 0.095 0.000 1.208 498 N CB -0.123 38.399 38.487 0.058 0.000 1.471 498 N HN 0.493 nan 8.380 nan 0.000 0.548 499 S N 0.310 116.123 115.700 0.188 0.000 2.537 499 S HA 0.196 4.665 4.470 -0.001 0.000 0.270 499 S C -0.954 173.834 174.600 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 64.732 63.200 0.174 0.000 1.112 499 S HN 0.244 nan 8.310 nan 0.000 0.466 500 N N 1.336 120.149 118.700 0.188 0.000 2.439 500 N HA 0.430 5.170 4.740 -0.001 0.000 0.243 500 N C -0.397 175.209 175.510 0.161 0.000 1.088 500 N CA -0.846 52.258 53.050 0.091 0.000 0.940 500 N CB -0.315 38.198 38.487 0.044 0.000 1.180 500 N HN 0.677 nan 8.380 nan 0.000 0.505 501 F N 1.791 121.780 119.950 0.065 0.000 2.805 501 F HA 0.550 5.077 4.527 -0.001 0.000 0.317 501 F C -2.021 173.838 175.800 0.099 0.000 1.146 501 F CA -1.600 56.442 58.000 0.070 0.000 1.265 501 F CB 0.671 39.691 39.000 0.032 0.000 0.992 501 F HN 0.242 nan 8.300 nan 0.000 0.511 502 P HA -0.035 nan 4.420 nan 0.000 0.249 502 P C 0.616 178.063 177.300 0.244 0.000 1.241 502 P CA 1.005 64.109 63.100 0.007 0.000 0.781 502 P CB -0.093 31.585 31.700 -0.036 0.000 1.088 503 W N -0.521 120.804 121.300 0.042 0.000 3.900 503 W HA 0.028 4.687 4.660 -0.001 0.000 0.186 503 W C 0.503 177.062 176.519 0.066 0.000 1.082 503 W CA 0.663 58.034 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 -0.680 113.937 114.554 0.106 0.000 3.100 504 T HA 0.346 4.696 4.350 -0.001 0.000 0.253 504 T C 1.165 175.865 174.700 -0.001 0.000 1.118 504 T CA 0.955 63.056 62.100 0.003 0.000 1.058 504 T CB 0.364 69.304 68.868 0.120 0.000 0.953 504 T HN 0.084 nan 8.240 nan 0.000 0.515 505 A N 0.205 123.073 122.820 0.080 0.000 2.600 505 A HA 0.831 5.151 4.320 -0.001 0.000 0.252 505 A C 0.993 178.624 177.584 0.080 0.000 1.200 505 A CA -0.024 52.061 52.037 0.081 0.000 0.981 505 A CB 0.148 19.237 19.000 0.149 0.000 1.207 505 A HN 0.613 nan 8.150 nan 0.000 0.577 506 A N 0.296 123.160 122.820 0.074 0.000 2.302 506 A HA 0.629 4.949 4.320 -0.001 0.000 0.285 506 A C 0.365 177.981 177.584 0.053 0.000 1.105 506 A CA -0.182 51.930 52.037 0.124 0.000 0.816 506 A CB 0.250 19.415 19.000 0.275 0.000 1.067 506 A HN 0.299 nan 8.150 nan 0.000 0.489 507 S N 1.393 117.171 115.700 0.130 0.000 2.510 507 S HA 0.380 4.849 4.470 -0.001 0.000 0.279 507 S C -0.008 174.717 174.600 0.208 0.000 1.284 507 S CA -0.160 58.133 58.200 0.156 0.000 1.059 507 S CB -0.002 63.320 63.200 0.203 0.000 0.901 507 S HN 0.636 nan 8.310 nan 0.000 0.491 508 K N 1.666 122.147 120.400 0.135 0.000 2.509 508 K HA 0.599 4.918 4.320 -0.001 0.000 0.266 508 K C -1.350 175.327 176.600 0.128 0.000 0.987 508 K CA -1.067 55.234 56.287 0.024 0.000 0.868 508 K CB 1.344 33.698 32.500 -0.244 0.000 1.421 508 K HN 0.563 nan 8.250 nan 0.000 0.444 509 Y N -1.514 118.817 120.300 0.053 0.000 2.630 509 Y HA 0.620 5.169 4.550 -0.001 0.000 0.337 509 Y C -0.690 175.285 175.900 0.125 0.000 1.051 509 Y CA -1.021 57.117 58.100 0.065 0.000 1.121 509 Y CB 1.531 39.980 38.460 -0.019 0.000 1.299 509 Y HN 0.750 nan 8.280 nan 0.000 0.498 510 H N 1.745 120.955 119.070 0.234 0.000 2.865 510 H HA 0.628 5.184 4.556 -0.001 0.000 0.362 510 H C -2.392 173.065 175.328 0.216 0.000 1.114 510 H CA -1.184 54.946 56.048 0.137 0.000 1.208 510 H CB 1.618 31.416 29.762 0.059 0.000 1.727 510 H HN 0.885 nan 8.280 nan 0.000 0.534 511 L N 3.494 124.760 121.223 0.072 0.000 2.385 511 L HA 0.236 4.576 4.340 -0.001 0.000 0.273 511 L C 0.543 177.464 176.870 0.085 0.000 0.990 511 L CA -0.850 53.989 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 2.375 121.109 118.700 0.056 0.000 2.741 512 N HA -0.185 4.554 4.740 -0.001 0.000 0.250 512 N C 0.697 176.307 175.510 0.166 0.000 1.115 512 N CA 1.331 54.441 53.050 0.101 0.000 0.724 512 N CB -0.614 37.928 38.487 0.091 0.000 1.090 512 N HN 1.123 nan 8.380 nan 0.000 0.558 513 G N -0.359 108.627 108.800 0.310 0.000 2.176 513 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.252 513 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.252 513 G C -0.145 174.901 174.900 0.244 0.000 1.024 513 G CA 0.525 45.816 45.100 0.319 0.000 0.755 513 G HN 0.722 nan 8.290 nan 0.000 0.507 514 R N 0.495 121.165 120.500 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 31.165 30.300 0.169 0.000 1.174 514 R HN 0.088 nan 8.270 nan 0.000 0.455 515 D N 1.753 122.253 120.400 0.168 0.000 2.425 515 D HA 0.134 4.774 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 0.806 54.869 54.000 0.104 0.000 0.879 515 D CB 1.492 42.377 40.800 0.142 0.000 1.179 515 D HN 0.374 nan 8.370 nan 0.000 0.456 516 S N 1.525 117.062 115.700 -0.272 0.000 2.571 516 S HA 0.285 4.755 4.470 -0.001 0.000 0.284 516 S C -0.614 173.706 174.600 -0.467 0.000 1.128 516 S CA -0.760 57.202 58.200 -0.397 0.000 0.970 516 S CB 1.799 64.573 63.200 -0.711 0.000 1.039 516 S HN 0.292 nan 8.310 nan 0.000 0.485 517 L N 3.923 125.065 121.223 -0.134 0.000 2.418 517 L HA 0.337 4.676 4.340 -0.001 0.000 0.274 517 L C -0.357 176.474 176.870 -0.066 0.000 1.135 517 L CA 0.111 54.891 54.840 -0.100 0.000 0.870 517 L CB 0.532 42.574 42.059 -0.030 0.000 1.154 517 L HN 0.522 nan 8.230 nan 0.000 0.462 518 V N 6.894 126.841 119.914 0.054 0.000 2.242 518 V HA 0.024 4.143 4.120 -0.001 0.000 0.242 518 V C 1.241 177.424 176.094 0.148 0.000 1.240 518 V CA 0.027 62.443 62.300 0.194 0.000 1.211 518 V CB -0.696 31.283 31.823 0.260 0.000 1.338 518 V HN 0.918 nan 8.190 nan 0.000 0.499 519 N N 6.350 125.070 118.700 0.033 0.000 2.054 519 N HA 0.010 4.750 4.740 -0.001 0.000 0.193 519 N C -1.812 173.837 175.510 0.233 0.000 1.066 519 N CA 0.800 53.864 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 -0.241 177.138 177.300 0.131 0.000 1.718 520 P CA -0.377 62.811 63.100 0.147 0.000 1.119 520 P CB 0.810 32.574 31.700 0.108 0.000 1.762 521 G N 4.636 113.528 108.800 0.152 0.000 2.479 521 G HA2 0.234 4.194 3.960 -0.001 0.000 0.275 521 G HA3 0.234 4.194 3.960 -0.001 0.000 0.275 521 G C -2.250 172.690 174.900 0.066 0.000 1.421 521 G CA -1.198 43.962 45.100 0.100 0.000 1.059 521 G HN 0.216 nan 8.290 nan 0.000 0.535 522 P HA 0.205 nan 4.420 nan 0.000 0.269 522 P C -0.183 177.142 177.300 0.042 0.000 1.205 522 P CA 0.273 63.367 63.100 -0.010 0.000 0.780 522 P CB 0.313 31.973 31.700 -0.067 0.000 0.858 523 A N 3.547 126.395 122.820 0.046 0.000 2.473 523 A HA 0.357 4.677 4.320 -0.001 0.000 0.282 523 A C 0.124 177.761 177.584 0.089 0.000 1.163 523 A CA 0.364 52.459 52.037 0.097 0.000 0.827 523 A CB -0.974 18.112 19.000 0.143 0.000 1.098 523 A HN 0.421 nan 8.150 nan 0.000 0.515 524 M N 2.064 121.721 119.600 0.096 0.000 2.644 524 M HA 0.587 5.067 4.480 -0.001 0.000 0.304 524 M C 0.235 176.589 176.300 0.090 0.000 1.215 524 M CA -0.546 54.807 55.300 0.089 0.000 0.871 524 M CB 2.241 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 0.894 123.757 122.820 0.070 0.000 2.425 525 A HA 0.354 4.674 4.320 -0.001 0.000 0.249 525 A C 0.785 178.414 177.584 0.075 0.000 1.084 525 A CA -0.257 51.810 52.037 0.051 0.000 0.781 525 A CB 0.261 19.264 19.000 0.004 0.000 1.019 525 A HN 0.924 nan 8.150 nan 0.000 0.490 526 S N 0.650 116.416 115.700 0.110 0.000 2.371 526 S HA -0.008 4.462 4.470 -0.001 0.000 0.224 526 S C 0.749 175.513 174.600 0.273 0.000 1.029 526 S CA 1.509 59.841 58.200 0.219 0.000 0.978 526 S CB -0.280 63.120 63.200 0.335 0.000 0.833 526 S HN 0.956 nan 8.310 nan 0.000 0.466 527 H N 0.278 119.416 119.070 0.114 0.000 3.016 527 H HA 0.507 5.063 4.556 -0.001 0.000 0.362 527 H C -1.034 174.345 175.328 0.085 0.000 1.233 527 H CA -1.211 54.906 56.048 0.116 0.000 1.124 527 H CB 0.947 30.806 29.762 0.162 0.000 1.850 527 H HN 0.130 nan 8.280 nan 0.000 0.549 528 K N 0.988 121.450 120.400 0.103 0.000 2.117 528 K HA 0.200 4.519 4.320 -0.001 0.000 0.240 528 K C -0.621 176.033 176.600 0.091 0.000 1.031 528 K CA -0.692 55.614 56.287 0.032 0.000 0.909 528 K CB 0.610 33.131 32.500 0.035 0.000 1.097 528 K HN 0.342 nan 8.250 nan 0.000 0.492 529 D N 1.083 121.515 120.400 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 0.907 54.955 54.000 0.081 0.000 0.879 529 D CB 0.225 41.051 40.800 0.043 0.000 1.195 529 D HN 0.602 nan 8.370 nan 0.000 0.443 530 D N 1.365 121.847 120.400 0.136 0.000 2.835 530 D HA -0.155 4.484 4.640 -0.001 0.000 0.230 530 D C 0.585 176.971 176.300 0.142 0.000 1.130 530 D CA 0.859 54.929 54.000 0.117 0.000 0.738 530 D CB -0.652 40.197 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 0.085 4.435 4.350 -0.001 0.000 0.187 531 E C 0.440 177.063 176.600 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 30.244 29.700 0.334 0.000 2.031 531 E HN 0.049 nan 8.360 nan 0.000 0.522 532 E N 0.891 121.003 120.200 -0.145 0.000 2.586 532 E HA -0.257 4.092 4.350 -0.001 0.000 0.259 532 E C 0.263 176.676 176.600 -0.312 0.000 1.107 532 E CA 1.452 57.529 56.400 -0.539 0.000 0.754 532 E CB -1.134 28.459 29.700 -0.179 0.000 1.335 532 E HN 0.391 nan 8.360 nan 0.000 0.411 533 K N -1.825 118.432 120.400 -0.239 0.000 2.585 533 K HA 0.161 4.481 4.320 -0.001 0.000 0.210 533 K C 0.041 176.497 176.600 -0.239 0.000 1.504 533 K CA -0.160 55.970 56.287 -0.263 0.000 1.029 533 K CB 0.206 32.476 32.500 -0.384 0.000 1.332 533 K HN 0.032 nan 8.250 nan 0.000 0.569 534 F N 3.566 123.542 119.950 0.043 0.000 2.390 534 F HA 0.360 4.887 4.527 -0.001 0.000 0.361 534 F C -0.049 175.834 175.800 0.138 0.000 1.124 534 F CA -1.310 56.733 58.000 0.072 0.000 1.149 534 F CB 0.589 39.607 39.000 0.031 0.000 1.160 534 F HN 0.014 nan 8.300 nan 0.000 0.501 535 F N 3.163 123.207 119.950 0.157 0.000 2.470 535 F HA 0.826 5.353 4.527 -0.001 0.000 0.329 535 F C -3.008 172.862 175.800 0.115 0.000 1.072 535 F CA -3.622 54.452 58.000 0.123 0.000 0.989 535 F CB 0.498 39.536 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 62.613 63.100 -0.100 0.000 0.780 536 P CB 0.738 32.444 31.700 0.011 0.000 0.901 537 M N 4.982 124.402 119.600 -0.300 0.000 2.734 537 M HA -0.049 4.430 4.480 -0.001 0.000 0.356 537 M C 0.923 176.890 176.300 -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 1.166 120.340 119.070 0.174 0.000 2.690 538 H HA -0.188 4.368 4.556 -0.001 0.000 0.309 538 H C 0.427 175.838 175.328 0.137 0.000 1.138 538 H CA 0.471 56.612 56.048 0.156 0.000 1.142 538 H CB -2.194 27.633 29.762 0.108 0.000 1.410 538 H HN 0.916 nan 8.280 nan 0.000 0.409 539 G N 0.915 109.780 108.800 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 0.916 nan 8.290 nan 0.000 0.531 540 N N -1.196 117.602 118.700 0.164 0.000 3.322 540 N HA 0.113 4.852 4.740 -0.001 0.000 0.233 540 N C -1.730 173.796 175.510 0.027 0.000 1.399 540 N CA -0.843 52.276 53.050 0.115 0.000 0.894 540 N CB 0.830 39.390 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 0.442 4.782 4.340 -0.001 0.000 0.275 541 L C 0.059 176.663 176.870 -0.444 0.000 1.129 541 L CA 0.129 54.809 54.840 -0.267 0.000 0.839 541 L CB 0.146 42.002 42.059 -0.340 0.000 1.133 541 L HN 0.473 nan 8.230 nan 0.000 0.453 542 I N 3.742 124.044 120.570 -0.447 0.000 2.389 542 I HA 0.343 4.513 4.170 -0.001 0.000 0.288 542 I C -0.661 175.189 176.117 -0.444 0.000 0.999 542 I CA -0.407 60.672 61.300 -0.368 0.000 1.129 542 I CB 1.010 38.898 38.000 -0.186 0.000 1.288 542 I HN 0.308 nan 8.210 nan 0.000 0.444 543 F N 3.085 122.990 119.950 -0.074 0.000 2.422 543 F HA 0.579 5.106 4.527 -0.001 0.000 0.333 543 F C 1.071 176.839 175.800 -0.054 0.000 1.095 543 F CA -0.641 57.328 58.000 -0.052 0.000 1.038 543 F CB 1.653 40.624 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 0.149 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 -0.565 174.361 174.900 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 0.788 121.189 120.400 0.001 0.000 2.286 545 K HA 0.063 4.383 4.320 -0.001 0.000 0.256 545 K C 0.314 176.893 176.600 -0.034 0.000 0.999 545 K CA -0.177 56.089 56.287 -0.035 0.000 0.908 545 K CB 0.651 33.118 32.500 -0.054 0.000 0.981 545 K HN 0.517 nan 8.250 nan 0.000 0.500 546 E N 0.342 120.506 120.200 -0.061 0.000 2.415 546 E HA 0.082 4.432 4.350 -0.001 0.000 0.263 546 E C -0.188 176.389 176.600 -0.038 0.000 0.995 546 E CA 1.084 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 -0.171 3.789 3.960 -0.001 0.000 0.260 547 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.260 547 G C -0.452 174.437 174.900 -0.019 0.000 0.993 547 G CA 0.255 45.345 45.100 -0.017 0.000 1.327 547 G HN 0.612 nan 8.290 nan 0.000 0.485 548 T N 1.209 115.756 114.554 -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 61.987 62.100 -0.014 0.000 1.071 548 T CB 1.196 70.054 68.868 -0.016 0.000 1.124 548 T HN 0.637 nan 8.240 nan 0.000 0.467 549 T N 2.385 116.932 114.554 -0.011 0.000 2.906 549 T HA 0.211 4.560 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 1.963 124.777 122.820 -0.011 0.000 2.206 550 A HA 0.231 4.551 4.320 -0.001 0.000 0.211 550 A C 1.396 178.967 177.584 -0.022 0.000 1.158 550 A CA 0.237 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 0.356 116.043 115.700 -0.022 0.000 2.498 551 S HA 0.410 4.879 4.470 -0.001 0.000 0.324 551 S C -0.443 174.142 174.600 -0.025 0.000 1.071 551 S CA -0.671 57.513 58.200 -0.026 0.000 1.113 551 S CB -0.435 62.749 63.200 -0.026 0.000 0.976 551 S HN 0.557 nan 8.310 nan 0.000 0.462 552 N N 2.242 120.926 118.700 -0.027 0.000 2.586 552 N HA -0.201 4.539 4.740 -0.001 0.000 0.282 552 N C -0.333 175.164 175.510 -0.022 0.000 1.171 552 N CA 0.535 53.571 53.050 -0.024 0.000 0.733 552 N CB -0.541 37.931 38.487 -0.024 0.000 0.910 552 N HN 0.657 nan 8.380 nan 0.000 0.548 553 A N 0.787 123.594 122.820 -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 0.463 nan 8.150 nan 0.000 0.499 554 E N -0.715 119.470 120.200 -0.025 0.000 2.374 554 E HA 0.244 4.594 4.350 -0.001 0.000 0.260 554 E C 0.842 177.422 176.600 -0.034 0.000 1.101 554 E CA -0.268 56.117 56.400 -0.026 0.000 0.907 554 E CB 0.699 30.384 29.700 -0.025 0.000 1.014 554 E HN 0.513 nan 8.360 nan 0.000 0.427 555 L N 2.073 123.276 121.223 -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 1.807 56.617 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 -0.701 119.670 120.400 -0.048 0.000 2.328 556 D HA -0.003 4.637 4.640 -0.001 0.000 0.226 556 D C 0.814 177.085 176.300 -0.048 0.000 1.066 556 D CA 0.274 54.245 54.000 -0.049 0.000 0.861 556 D CB -0.018 40.757 40.800 -0.041 0.000 0.912 556 D HN 0.374 nan 8.370 nan 0.000 0.521 557 N N 0.043 118.715 118.700 -0.047 0.000 2.184 557 N HA 0.037 4.777 4.740 -0.001 0.000 0.206 557 N C -0.017 175.468 175.510 -0.041 0.000 1.151 557 N CA 0.056 53.081 53.050 -0.042 0.000 0.878 557 N CB 1.669 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 -2.180 117.703 119.914 -0.051 0.000 3.074 558 V HA 0.660 4.780 4.120 -0.001 0.000 0.314 558 V C -0.412 175.648 176.094 -0.057 0.000 1.117 558 V CA -0.985 61.286 62.300 -0.049 0.000 1.014 558 V CB 2.513 34.296 31.823 -0.066 0.000 1.057 558 V HN -0.181 nan 8.190 nan 0.000 0.438 559 M N 3.285 122.868 119.600 -0.028 0.000 2.043 559 M HA 0.583 5.063 4.480 -0.001 0.000 0.322 559 M C -0.999 175.271 176.300 -0.050 0.000 0.962 559 M CA -0.145 55.144 55.300 -0.017 0.000 0.927 559 M CB 1.532 34.163 32.600 0.051 0.000 1.466 559 M HN 0.561 nan 8.290 nan 0.000 0.412 560 I N 2.603 123.100 120.570 -0.122 0.000 2.365 560 I HA 0.325 4.494 4.170 -0.001 0.000 0.291 560 I C 0.632 176.691 176.117 -0.097 0.000 1.004 560 I CA -0.662 60.534 61.300 -0.174 0.000 1.311 560 I CB 1.455 39.248 38.000 -0.345 0.000 1.401 560 I HN 0.596 nan 8.210 nan 0.000 0.491 561 T N 0.520 115.018 114.554 -0.094 0.000 2.806 561 T HA 0.278 4.628 4.350 -0.001 0.000 0.290 561 T C -0.488 174.255 174.700 0.071 0.000 0.966 561 T CA -0.838 61.223 62.100 -0.064 0.000 1.060 561 T CB 1.606 70.308 68.868 -0.276 0.000 0.927 561 T HN 0.409 nan 8.240 nan 0.000 0.485 562 D N 1.947 122.436 120.400 0.149 0.000 2.329 562 D HA 0.183 4.823 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 -0.509 53.621 54.000 0.216 0.000 0.835 562 D CB 0.914 41.850 40.800 0.227 0.000 1.078 562 D HN 0.447 nan 8.370 nan 0.000 0.495 563 E N 3.334 123.670 120.200 0.226 0.000 2.360 563 E HA 0.059 4.408 4.350 -0.001 0.000 0.253 563 E C 0.054 176.713 176.600 0.100 0.000 1.189 563 E CA -0.056 56.453 56.400 0.182 0.000 1.252 563 E CB 0.240 30.047 29.700 0.178 0.000 1.408 563 E HN 0.656 nan 8.360 nan 0.000 0.464 564 E N -0.248 119.997 120.200 0.075 0.000 2.569 564 E HA 0.128 4.477 4.350 -0.001 0.000 0.205 564 E C 0.193 176.778 176.600 -0.025 0.000 1.006 564 E CA -0.004 56.375 56.400 -0.036 0.000 0.985 564 E CB 0.303 29.961 29.700 -0.071 0.000 1.060 564 E HN -0.036 nan 8.360 nan 0.000 0.460 565 E N 0.739 120.937 120.200 -0.004 0.000 2.431 565 E HA 0.136 4.485 4.350 -0.001 0.000 0.200 565 E C 1.480 178.070 176.600 -0.016 0.000 0.995 565 E CA 0.237 56.619 56.400 -0.029 0.000 0.915 565 E CB 0.311 29.975 29.700 -0.060 0.000 0.930 565 E HN 0.555 nan 8.360 nan 0.000 0.496 566 I N -1.979 118.595 120.570 0.006 0.000 3.858 566 I HA 0.290 4.460 4.170 -0.001 0.000 0.325 566 I C 1.029 177.169 176.117 0.039 0.000 1.403 566 I CA -0.184 61.138 61.300 0.036 0.000 1.169 566 I CB 0.184 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 1.411 121.918 120.500 0.012 0.000 2.152 567 R HA -0.088 4.251 4.340 -0.001 0.000 0.232 567 R C 2.186 178.491 176.300 0.009 0.000 1.117 567 R CA 1.987 58.085 56.100 -0.004 0.000 0.981 567 R CB -0.369 29.911 30.300 -0.033 0.000 0.870 567 R HN 0.649 nan 8.270 nan 0.000 0.451 568 T N -3.208 111.360 114.554 0.024 0.000 3.067 568 T HA -0.010 4.340 4.350 -0.001 0.000 0.257 568 T C 1.710 176.401 174.700 -0.016 0.000 1.105 568 T CA 1.139 63.242 62.100 0.006 0.000 1.104 568 T CB 0.215 69.093 68.868 0.017 0.000 0.925 568 T HN 0.304 nan 8.240 nan 0.000 0.498 569 T N -1.901 112.661 114.554 0.014 0.000 2.955 569 T HA 0.317 4.667 4.350 -0.001 0.000 0.251 569 T C 0.359 175.112 174.700 0.089 0.000 1.002 569 T CA -0.539 61.573 62.100 0.019 0.000 0.970 569 T CB -0.270 68.600 68.868 0.003 0.000 1.091 569 T HN 0.384 nan 8.240 nan 0.000 0.495 570 N N 2.197 120.949 118.700 0.085 0.000 2.319 570 N HA 0.573 5.313 4.740 -0.001 0.000 0.305 570 N C -3.132 172.422 175.510 0.074 0.000 1.103 570 N CA -2.017 51.096 53.050 0.105 0.000 0.815 570 N CB 2.022 40.576 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 1.966 121.902 119.914 0.037 0.000 2.572 572 V HA 0.115 4.234 4.120 -0.001 0.000 0.291 572 V C 1.719 177.838 176.094 0.042 0.000 1.039 572 V CA 0.532 62.852 62.300 0.033 0.000 1.055 572 V CB -0.037 31.794 31.823 0.014 0.000 0.969 572 V HN 0.721 nan 8.190 nan 0.000 0.482 573 A N 4.255 127.105 122.820 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 54.464 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 -2.697 111.856 114.554 -0.002 0.000 3.009 574 T HA 0.073 4.422 4.350 -0.001 0.000 0.258 574 T C 0.815 175.484 174.700 -0.051 0.000 1.063 574 T CA 0.393 62.468 62.100 -0.041 0.000 1.139 574 T CB -0.204 68.632 68.868 -0.053 0.000 0.890 574 T HN 0.392 nan 8.240 nan 0.000 0.471 575 E N 2.372 122.553 120.200 -0.032 0.000 2.397 575 E HA 0.174 4.524 4.350 -0.001 0.000 0.254 575 E C 0.603 177.193 176.600 -0.017 0.000 1.231 575 E CA -0.209 56.170 56.400 -0.036 0.000 0.954 575 E CB 0.475 30.158 29.700 -0.028 0.000 1.024 575 E HN 0.769 nan 8.360 nan 0.000 0.481 576 Q N -0.351 119.440 119.800 -0.016 0.000 2.492 576 Q HA 0.016 4.356 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 -0.039 55.773 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 2.609 577 Y HA 0.429 4.979 4.550 -0.001 0.000 0.281 577 Y C 0.536 176.424 175.900 -0.020 0.000 1.132 577 Y CA 1.082 59.166 58.100 -0.026 0.000 1.264 577 Y CB 1.218 39.662 38.460 -0.027 0.000 1.325 577 Y HN 0.865 nan 8.280 nan 0.000 0.514 578 G N -0.983 107.827 108.800 0.018 0.000 2.399 578 G HA2 0.306 4.266 3.960 -0.001 0.000 0.256 578 G HA3 0.306 4.266 3.960 -0.001 0.000 0.256 578 G C -1.432 173.477 174.900 0.015 0.000 1.236 578 G CA -0.380 44.686 45.100 -0.057 0.000 0.914 578 G HN -0.065 nan 8.290 nan 0.000 0.482 579 T N 0.090 114.647 114.554 0.004 0.000 2.829 579 T HA 0.678 5.027 4.350 -0.001 0.000 0.280 579 T C -0.661 174.056 174.700 0.029 0.000 0.999 579 T CA -0.320 61.787 62.100 0.012 0.000 0.983 579 T CB 1.716 70.581 68.868 -0.005 0.000 0.968 579 T HN 0.831 nan 8.240 nan 0.000 0.446 580 V N 1.676 121.607 119.914 0.028 0.000 2.789 580 V HA 0.805 4.924 4.120 -0.001 0.000 0.311 580 V C 0.111 176.215 176.094 0.017 0.000 1.073 580 V CA -1.305 61.012 62.300 0.029 0.000 0.921 580 V CB 1.826 33.670 31.823 0.035 0.000 1.009 580 V HN 1.089 nan 8.190 nan 0.000 0.426 581 A N 3.050 125.880 122.820 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 19.183 19.000 0.014 0.000 1.047 581 A HN 1.094 nan 8.150 nan 0.000 0.487 582 N N 1.192 119.896 118.700 0.006 0.000 2.604 582 N HA 0.125 4.865 4.740 -0.001 0.000 0.284 582 N C -1.237 174.275 175.510 0.003 0.000 1.716 582 N CA -0.404 52.649 53.050 0.004 0.000 0.859 582 N CB 0.112 38.600 38.487 0.002 0.000 1.403 582 N HN 0.743 nan 8.380 nan 0.000 0.501 583 N N -0.250 118.453 118.700 0.004 0.000 3.322 583 N HA 0.146 4.886 4.740 -0.001 0.000 0.233 583 N C -1.741 173.772 175.510 0.005 0.000 1.399 583 N CA -0.580 52.472 53.050 0.004 0.000 0.894 583 N CB 0.601 39.089 38.487 0.002 0.000 1.440 583 N HN 0.049 nan 8.380 nan 0.000 0.503 584 L N 1.555 122.781 121.223 0.005 0.000 2.353 584 L HA 0.247 4.587 4.340 -0.001 0.000 0.269 584 L C 0.403 177.276 176.870 0.005 0.000 1.085 584 L CA -0.846 53.997 54.840 0.006 0.000 0.938 584 L CB 0.231 42.293 42.059 0.006 0.000 1.312 584 L HN 0.623 nan 8.230 nan 0.000 0.429 585 Q N 2.566 122.369 119.800 0.005 0.000 2.386 585 Q HA 0.417 4.757 4.340 -0.001 0.000 0.282 585 Q C -0.001 176.001 176.000 0.003 0.000 1.050 585 Q CA -0.043 55.762 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 0.130 115.830 115.700 0.000 0.000 2.694 586 S HA 0.339 4.809 4.470 -0.001 0.000 0.273 586 S C 0.407 175.006 174.600 -0.002 0.000 1.180 586 S CA -0.336 57.864 58.200 -0.000 0.000 0.864 586 S CB 0.069 63.269 63.200 0.001 0.000 1.198 586 S HN 0.959 nan 8.310 nan 0.000 0.499 587 S N 1.172 116.870 115.700 -0.003 0.000 2.419 587 S HA -0.105 4.365 4.470 -0.001 0.000 0.233 587 S C 1.189 175.787 174.600 -0.004 0.000 1.016 587 S CA 1.291 59.489 58.200 -0.004 0.000 0.974 587 S CB -0.870 62.328 63.200 -0.004 0.000 0.786 587 S HN 0.639 nan 8.310 nan 0.000 0.492 588 N N 1.220 119.919 118.700 -0.002 0.000 2.395 588 N HA 0.091 4.831 4.740 -0.001 0.000 0.175 588 N C -0.114 175.395 175.510 -0.003 0.000 1.029 588 N CA 0.758 53.807 53.050 -0.002 0.000 0.897 588 N CB 0.040 38.526 38.487 -0.002 0.000 0.991 588 N HN 0.386 nan 8.380 nan 0.000 0.441 589 T N 0.391 114.943 114.554 -0.002 0.000 2.841 589 T HA 0.620 4.969 4.350 -0.001 0.000 0.283 589 T C -0.466 174.233 174.700 -0.003 0.000 1.000 589 T CA -0.746 61.352 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 4.728 127.546 122.820 -0.003 0.000 2.331 590 A HA 0.674 4.993 4.320 -0.001 0.000 0.283 590 A C -2.243 175.339 177.584 -0.003 0.000 1.142 590 A CA -1.666 50.369 52.037 -0.004 0.000 0.812 590 A CB -0.181 18.816 19.000 -0.005 0.000 1.074 590 A HN 0.558 nan 8.150 nan 0.000 0.497 591 P HA 0.109 nan 4.420 nan 0.000 0.264 591 P C -0.391 176.908 177.300 -0.002 0.000 1.193 591 P CA 0.496 63.596 63.100 -0.001 0.000 0.763 591 P CB 0.417 32.117 31.700 -0.000 0.000 0.810 592 T N 2.251 116.805 114.554 -0.001 0.000 2.855 592 T HA 0.419 4.769 4.350 -0.001 0.000 0.281 592 T C 0.031 174.730 174.700 -0.001 0.000 1.007 592 T CA -0.279 61.819 62.100 -0.002 0.000 1.009 592 T CB 1.185 70.052 68.868 -0.003 0.000 0.983 592 T HN 0.232 nan 8.240 nan 0.000 0.455 593 T N 3.112 117.664 114.554 -0.003 0.000 2.856 593 T HA 0.558 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 69.955 68.868 -0.004 0.000 0.992 593 T HN 0.266 nan 8.240 nan 0.000 0.454 594 R N 2.129 122.629 120.500 -0.000 0.000 2.480 594 R HA 0.363 4.703 4.340 -0.001 0.000 0.306 594 R C -0.930 175.371 176.300 0.003 0.000 0.958 594 R CA -0.472 55.627 56.100 -0.002 0.000 0.861 594 R CB 1.381 31.680 30.300 -0.000 0.000 1.171 594 R HN 0.616 nan 8.270 nan 0.000 0.445 595 T N 3.675 118.226 114.554 -0.005 0.000 2.738 595 T HA 0.054 4.404 4.350 -0.001 0.000 0.293 595 T C 0.045 174.748 174.700 0.006 0.000 0.913 595 T CA -0.056 62.044 62.100 -0.001 0.000 1.103 595 T CB 0.539 69.397 68.868 -0.016 0.000 0.880 595 T HN 0.351 nan 8.240 nan 0.000 0.526 596 V N 5.472 125.408 119.914 0.038 0.000 2.455 596 V HA 0.221 4.341 4.120 -0.001 0.000 0.273 596 V C 0.569 176.682 176.094 0.032 0.000 1.045 596 V CA -0.156 62.169 62.300 0.043 0.000 0.976 596 V CB 0.440 32.327 31.823 0.106 0.000 0.993 596 V HN 0.804 nan 8.190 nan 0.000 0.475 597 N N 4.343 123.023 118.700 -0.035 0.000 2.294 597 N HA 0.158 4.898 4.740 -0.001 0.000 0.186 597 N C -0.428 175.002 175.510 -0.134 0.000 1.107 597 N CA 0.184 53.189 53.050 -0.076 0.000 0.884 597 N CB 0.601 39.023 38.487 -0.110 0.000 1.030 597 N HN 0.809 nan 8.380 nan 0.000 0.482 598 D N 0.592 120.911 120.400 -0.135 0.000 2.855 598 D HA 0.195 4.834 4.640 -0.001 0.000 0.241 598 D C -1.508 174.677 176.300 -0.191 0.000 1.277 598 D CA -0.363 53.548 54.000 -0.148 0.000 0.918 598 D CB 1.420 42.155 40.800 -0.108 0.000 1.462 598 D HN -0.256 nan 8.370 nan 0.000 0.559 599 Q N 2.739 122.364 119.800 -0.292 0.000 2.309 599 Q HA 0.652 4.992 4.340 -0.001 0.000 0.270 599 Q C 0.101 175.922 176.000 -0.298 0.000 1.023 599 Q CA -0.740 54.815 55.803 -0.413 0.000 0.758 599 Q CB 1.635 29.787 28.738 -0.975 0.000 1.247 599 Q HN 0.525 nan 8.270 nan 0.000 0.455 600 G N 2.073 110.741 108.800 -0.220 0.000 2.479 600 G HA2 0.463 4.422 3.960 -0.001 0.000 0.275 600 G HA3 0.463 4.422 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 44.875 45.100 -0.222 0.000 1.059 600 G HN 0.828 nan 8.290 nan 0.000 0.535 601 A N -1.508 121.158 122.820 -0.257 0.000 2.304 601 A HA 0.715 5.035 4.320 -0.001 0.000 0.271 601 A C -0.405 177.157 177.584 -0.037 0.000 1.091 601 A CA -0.218 51.706 52.037 -0.189 0.000 0.812 601 A CB 0.497 19.333 19.000 -0.274 0.000 1.056 601 A HN 0.574 nan 8.150 nan 0.000 0.489 602 L N 0.897 122.161 121.223 0.068 0.000 2.482 602 L HA 0.361 4.701 4.340 -0.001 0.000 0.263 602 L C -2.586 174.388 176.870 0.173 0.000 0.957 602 L CA -1.848 53.055 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 0.164 nan 4.420 nan 0.000 0.259 603 P C 0.672 178.079 177.300 0.178 0.000 1.211 603 P CA 0.686 63.884 63.100 0.163 0.000 0.810 603 P CB 0.454 32.221 31.700 0.113 0.000 0.815 604 G N 2.365 111.317 108.800 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 1.336 121.145 119.600 0.347 0.000 2.233 605 M HA 0.522 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 -0.212 55.316 55.300 0.380 0.000 1.150 605 M CB 1.543 34.379 32.600 0.395 0.000 1.530 605 M HN 0.481 nan 8.290 nan 0.000 0.459 606 V N 0.859 120.957 119.914 0.307 0.000 2.686 606 V HA 0.834 4.954 4.120 -0.001 0.000 0.306 606 V C -1.609 174.607 176.094 0.203 0.000 1.065 606 V CA -0.679 61.668 62.300 0.078 0.000 0.894 606 V CB 1.205 32.938 31.823 -0.151 0.000 1.004 606 V HN 1.076 nan 8.190 nan 0.000 0.424 607 W N 2.461 123.738 121.300 -0.038 0.000 3.029 607 W HA 0.887 5.546 4.660 -0.001 0.000 0.339 607 W C -1.017 175.482 176.519 -0.034 0.000 1.198 607 W CA -1.064 56.262 57.345 -0.031 0.000 1.148 607 W CB 1.775 31.222 29.460 -0.020 0.000 1.451 607 W HN 0.685 nan 8.180 nan 0.000 0.564 608 Q N 1.967 121.872 119.800 0.176 0.000 2.274 608 Q HA 0.308 4.648 4.340 -0.001 0.000 0.260 608 Q C -0.402 175.717 176.000 0.199 0.000 0.974 608 Q CA -0.265 55.584 55.803 0.076 0.000 0.876 608 Q CB 1.325 30.091 28.738 0.047 0.000 1.297 608 Q HN 0.410 nan 8.270 nan 0.000 0.446 609 D N 1.055 121.540 120.400 0.141 0.000 2.414 609 D HA 0.205 4.844 4.640 -0.001 0.000 0.259 609 D C 0.483 176.873 176.300 0.150 0.000 1.269 609 D CA -0.194 53.933 54.000 0.211 0.000 1.028 609 D CB 0.603 41.539 40.800 0.225 0.000 1.093 609 D HN 0.464 nan 8.370 nan 0.000 0.545 610 R N -0.301 120.304 120.500 0.175 0.000 3.213 610 R HA 0.245 4.585 4.340 -0.001 0.000 0.188 610 R C -0.267 176.142 176.300 0.181 0.000 0.931 610 R CA 0.081 56.285 56.100 0.172 0.000 1.218 610 R CB 0.025 30.440 30.300 0.190 0.000 0.742 610 R HN 0.424 nan 8.270 nan 0.000 0.484 611 D N -0.842 119.655 120.400 0.161 0.000 2.581 611 D HA 0.318 4.957 4.640 -0.001 0.000 0.232 611 D C -1.631 174.555 176.300 -0.189 0.000 1.143 611 D CA -0.557 53.458 54.000 0.025 0.000 0.881 611 D CB 1.982 42.683 40.800 -0.166 0.000 1.500 611 D HN 0.244 nan 8.370 nan 0.000 0.458 612 V N 0.160 119.830 119.914 -0.408 0.000 2.483 612 V HA 0.694 4.813 4.120 -0.001 0.000 0.295 612 V C -1.078 174.841 176.094 -0.292 0.000 1.035 612 V CA -0.491 61.658 62.300 -0.252 0.000 0.896 612 V CB 0.759 32.396 31.823 -0.310 0.000 0.986 612 V HN 0.439 nan 8.190 nan 0.000 0.447 613 Y N 2.721 123.129 120.300 0.180 0.000 2.549 613 Y HA 0.580 5.130 4.550 -0.001 0.000 0.339 613 Y C 0.858 176.588 175.900 -0.284 0.000 1.053 613 Y CA -1.076 57.081 58.100 0.095 0.000 1.105 613 Y CB 1.516 40.063 38.460 0.145 0.000 1.258 613 Y HN 0.587 nan 8.280 nan 0.000 0.478 614 L N 1.412 122.285 121.223 -0.583 0.000 2.151 614 L HA -0.243 4.097 4.340 -0.001 0.000 0.215 614 L C 1.711 178.361 176.870 -0.366 0.000 1.084 614 L CA 2.050 56.191 54.840 -1.166 0.000 0.764 614 L CB -0.438 41.005 42.059 -1.026 0.000 0.891 614 L HN 0.825 nan 8.230 nan 0.000 0.435 615 Q N -1.385 118.303 119.800 -0.187 0.000 2.179 615 Q HA 0.304 4.644 4.340 -0.001 0.000 0.213 615 Q C 0.664 176.684 176.000 0.033 0.000 0.833 615 Q CA 0.376 56.167 55.803 -0.019 0.000 0.990 615 Q CB -0.303 28.282 28.738 -0.254 0.000 1.132 615 Q HN 0.363 nan 8.270 nan 0.000 0.493 616 G N 2.280 111.236 108.800 0.260 0.000 2.547 616 G HA2 0.478 4.437 3.960 -0.001 0.000 0.291 616 G HA3 0.478 4.437 3.960 -0.001 0.000 0.291 616 G C -2.717 172.376 174.900 0.320 0.000 1.211 616 G CA -1.252 44.139 45.100 0.486 0.000 0.950 616 G HN 0.059 nan 8.290 nan 0.000 0.504 617 P HA 0.184 nan 4.420 nan 0.000 0.270 617 P C 0.434 177.701 177.300 -0.056 0.000 1.223 617 P CA -0.153 62.949 63.100 0.003 0.000 0.785 617 P CB 1.011 32.723 31.700 0.019 0.000 0.923 618 I N -1.049 119.349 120.570 -0.287 0.000 2.900 618 I HA 0.181 4.351 4.170 -0.001 0.000 0.251 618 I C 0.679 176.983 176.117 0.312 0.000 1.102 618 I CA 0.555 61.748 61.300 -0.179 0.000 1.457 618 I CB -0.298 37.643 38.000 -0.099 0.000 1.285 618 I HN 0.445 nan 8.210 nan 0.000 0.459 619 W N 1.053 122.471 121.300 0.197 0.000 3.207 619 W HA 0.827 5.487 4.660 -0.000 0.000 0.326 619 W C -1.200 175.431 176.519 0.187 0.000 1.190 619 W CA -1.217 56.281 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 1.327 124.428 122.820 0.467 0.000 2.555 620 A HA 0.450 4.770 4.320 -0.001 0.000 0.297 620 A C -1.555 176.175 177.584 0.243 0.000 1.060 620 A CA -1.091 51.119 52.037 0.288 0.000 0.710 620 A CB 1.471 20.566 19.000 0.159 0.000 1.282 620 A HN 0.699 nan 8.150 nan 0.000 0.399 621 K N 3.538 124.029 120.400 0.152 0.000 2.315 621 K HA 0.365 4.685 4.320 -0.001 0.000 0.291 621 K C -0.483 176.066 176.600 -0.084 0.000 1.074 621 K CA -0.274 55.942 56.287 -0.118 0.000 0.936 621 K CB -0.235 31.976 32.500 -0.481 0.000 1.049 621 K HN 0.616 nan 8.250 nan 0.000 0.471 622 I N 7.583 128.078 120.570 -0.125 0.000 2.742 622 I HA -0.043 4.127 4.170 -0.001 0.000 0.287 622 I C -1.780 174.249 176.117 -0.147 0.000 1.186 622 I CA -1.577 59.627 61.300 -0.160 0.000 1.417 622 I CB 0.097 37.922 38.000 -0.290 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 -0.539 176.823 177.300 0.103 0.000 1.187 623 P CA 0.166 63.294 63.100 0.046 0.000 0.766 623 P CB 0.282 32.036 31.700 0.090 0.000 0.820 624 H N 1.784 120.873 119.070 0.032 0.000 2.982 624 H HA 0.270 4.825 4.556 -0.001 0.000 0.261 624 H C 0.251 175.634 175.328 0.092 0.000 1.603 624 H CA 0.011 56.095 56.048 0.060 0.000 1.398 624 H CB -0.544 29.218 29.762 0.001 0.000 1.693 624 H HN 0.322 nan 8.280 nan 0.000 0.535 625 T N -0.674 113.891 114.554 0.018 0.000 2.870 625 T HA 0.148 4.497 4.350 -0.001 0.000 0.277 625 T C 1.004 175.560 174.700 -0.240 0.000 1.000 625 T CA -0.900 61.161 62.100 -0.066 0.000 0.982 625 T CB 1.173 70.018 68.868 -0.037 0.000 1.249 625 T HN 0.232 nan 8.240 nan 0.000 0.589 626 D N 0.418 120.705 120.400 -0.188 0.000 2.224 626 D HA 0.199 4.839 4.640 -0.001 0.000 0.205 626 D C 0.879 176.994 176.300 -0.309 0.000 0.965 626 D CA 1.097 54.980 54.000 -0.195 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 -0.643 107.892 108.800 -0.443 0.000 2.746 627 G HA2 0.496 4.456 3.960 -0.001 0.000 0.297 627 G HA3 0.496 4.456 3.960 -0.001 0.000 0.297 627 G C -1.339 173.206 174.900 -0.592 0.000 1.426 627 G CA -0.687 44.126 45.100 -0.478 0.000 0.989 627 G HN 0.027 nan 8.290 nan 0.000 0.520 628 H N 1.323 120.406 119.070 0.021 0.000 2.928 628 H HA 0.511 5.067 4.556 -0.001 0.000 0.371 628 H C -0.428 174.979 175.328 0.133 0.000 1.186 628 H CA -0.684 55.398 56.048 0.057 0.000 1.134 628 H CB 2.525 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 0.850 120.892 119.950 0.154 0.000 2.324 629 F HA 0.092 4.619 4.527 -0.001 0.000 0.260 629 F C 0.831 176.768 175.800 0.228 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 1.955 121.037 119.070 0.020 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 -2.148 53.891 56.048 -0.014 0.000 1.373 630 H CB 0.238 30.112 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 -0.007 0.000 1.670 631 P CA 0.323 63.415 63.100 -0.013 0.000 1.017 631 P CB -0.336 31.288 31.700 -0.127 0.000 1.945 632 S N 1.901 117.666 115.700 0.108 0.000 2.437 632 S HA 0.503 4.972 4.470 -0.001 0.000 0.305 632 S C -2.499 172.192 174.600 0.152 0.000 1.109 632 S CA -2.108 56.179 58.200 0.146 0.000 1.099 632 S CB 0.271 63.631 63.200 0.267 0.000 1.004 632 S HN -0.026 nan 8.310 nan 0.000 0.475 633 P HA 0.033 nan 4.420 nan 0.000 0.258 633 P C 0.721 178.093 177.300 0.120 0.000 1.172 633 P CA 0.205 63.373 63.100 0.113 0.000 0.762 633 P CB 0.281 32.048 31.700 0.112 0.000 0.764 634 L N 2.441 123.728 121.223 0.107 0.000 2.127 634 L HA -0.167 4.173 4.340 -0.001 0.000 0.211 634 L C 2.066 179.003 176.870 0.112 0.000 1.089 634 L CA 1.570 56.474 54.840 0.107 0.000 0.757 634 L CB -0.416 41.693 42.059 0.082 0.000 0.899 634 L HN 0.489 nan 8.230 nan 0.000 0.434 635 M N -0.862 118.799 119.600 0.103 0.000 2.619 635 M HA 0.140 4.620 4.480 -0.001 0.000 0.251 635 M C 0.727 177.113 176.300 0.144 0.000 1.106 635 M CA 0.503 55.868 55.300 0.109 0.000 1.086 635 M CB -0.018 32.630 32.600 0.080 0.000 1.465 635 M HN 0.336 nan 8.290 nan 0.000 0.506 636 G N -0.139 108.739 108.800 0.131 0.000 2.674 636 G HA2 0.291 4.250 3.960 -0.001 0.000 0.686 636 G HA3 0.291 4.250 3.960 -0.001 0.000 0.686 636 G C -0.366 174.579 174.900 0.074 0.000 1.195 636 G CA -0.628 44.544 45.100 0.119 0.000 0.776 636 G HN 0.733 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 -0.648 174.080 174.900 -0.287 0.000 1.267 637 G CA -0.080 44.905 45.100 -0.191 0.000 1.127 637 G HN 1.626 nan 8.290 nan 0.000 0.498 638 F N 1.968 122.059 119.950 0.234 0.000 2.388 638 F HA 0.568 5.095 4.527 -0.001 0.000 0.358 638 F C 1.131 177.044 175.800 0.188 0.000 1.122 638 F CA 0.069 58.180 58.000 0.185 0.000 1.056 638 F CB 2.013 41.113 39.000 0.166 0.000 1.155 638 F HN 0.712 nan 8.300 nan 0.000 0.461 639 G N 5.180 114.135 108.800 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 -0.820 174.150 174.900 0.117 0.000 1.189 639 G CA -0.416 44.775 45.100 0.151 0.000 0.941 639 G HN 0.580 nan 8.290 nan 0.000 0.445 640 L N 3.119 124.402 121.223 0.101 0.000 2.356 640 L HA 0.360 4.699 4.340 -0.001 0.000 0.277 640 L C 1.156 177.947 176.870 -0.133 0.000 0.996 640 L CA -1.114 53.749 54.840 0.038 0.000 0.822 640 L CB 2.217 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 1.038 121.313 120.400 -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 -0.760 0.000 1.048 641 K CA 1.351 57.357 56.287 -0.468 0.000 0.929 641 K CB 0.044 32.267 32.500 -0.461 0.000 0.713 641 K HN 0.540 nan 8.250 nan 0.000 0.439 642 H N 0.583 119.529 119.070 -0.208 0.000 2.645 642 H HA 0.312 4.867 4.556 -0.001 0.000 0.257 642 H C -2.413 172.916 175.328 0.002 0.000 1.269 642 H CA -2.229 53.668 56.048 -0.252 0.000 1.409 642 H CB 1.148 30.908 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 -0.342 0.000 1.264 643 P CA -2.155 60.843 63.100 -0.170 0.000 0.824 643 P CB 0.267 31.893 31.700 -0.123 0.000 1.092 644 P HA -0.031 nan 4.420 nan 0.000 0.251 644 P C -2.007 175.097 177.300 -0.327 0.000 1.154 644 P CA -0.083 62.318 63.100 -1.166 0.000 0.805 644 P CB -1.278 29.734 31.700 -1.146 0.000 0.759 645 P HA -0.073 nan 4.420 nan 0.000 0.270 645 P C -0.307 176.862 177.300 -0.217 0.000 1.221 645 P CA 0.291 63.286 63.100 -0.175 0.000 0.788 645 P CB 0.655 32.128 31.700 -0.379 0.000 0.904 646 Q N 0.503 120.146 119.800 -0.261 0.000 2.286 646 Q HA 0.343 4.683 4.340 -0.001 0.000 0.257 646 Q C -0.457 175.203 176.000 -0.567 0.000 0.941 646 Q CA -0.385 55.176 55.803 -0.404 0.000 0.912 646 Q CB 0.289 28.740 28.738 -0.479 0.000 1.192 646 Q HN 0.314 nan 8.270 nan 0.000 0.410 647 I N 3.113 123.383 120.570 -0.500 0.000 2.307 647 I HA 0.198 4.368 4.170 -0.001 0.000 0.289 647 I C -0.418 175.453 176.117 -0.409 0.000 1.021 647 I CA -0.148 60.811 61.300 -0.569 0.000 1.224 647 I CB 0.803 38.401 38.000 -0.670 0.000 1.376 647 I HN 0.499 nan 8.210 nan 0.000 0.470 648 M N 6.647 125.840 119.600 -0.680 0.000 2.359 648 M HA 0.609 5.089 4.480 -0.001 0.000 0.322 648 M C -0.739 175.527 176.300 -0.057 0.000 1.166 648 M CA -0.355 54.663 55.300 -0.471 0.000 1.067 648 M CB 1.439 33.411 32.600 -1.048 0.000 1.523 648 M HN 0.494 nan 8.290 nan 0.000 0.467 649 I N 2.263 122.967 120.570 0.223 0.000 2.775 649 I HA 0.684 4.854 4.170 -0.001 0.000 0.295 649 I C -1.843 174.303 176.117 0.049 0.000 1.287 649 I CA -0.235 61.148 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 3.459 123.737 120.400 -0.204 0.000 2.598 650 K HA 0.548 4.868 4.320 -0.001 0.000 0.271 650 K C -2.010 174.413 176.600 -0.295 0.000 0.947 650 K CA -0.698 55.337 56.287 -0.419 0.000 0.854 650 K CB 0.609 32.427 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 4.916 4.740 -0.001 0.000 0.265 651 N C -0.869 174.564 175.510 -0.128 0.000 1.138 651 N CA -0.316 52.681 53.050 -0.090 0.000 0.956 651 N CB 1.085 39.567 38.487 -0.009 0.000 1.067 651 N HN 0.655 nan 8.380 nan 0.000 0.474 652 T N 4.071 118.551 114.554 -0.122 0.000 2.829 652 T HA 0.100 4.450 4.350 -0.001 0.000 0.293 652 T C -2.187 172.391 174.700 -0.203 0.000 0.970 652 T CA -0.596 61.414 62.100 -0.151 0.000 1.168 652 T CB 0.076 68.890 68.868 -0.090 0.000 0.911 652 T HN 0.284 nan 8.240 nan 0.000 0.535 653 P HA 0.138 nan 4.420 nan 0.000 0.263 653 P C -0.821 176.259 177.300 -0.367 0.000 1.195 653 P CA -0.143 62.494 63.100 -0.772 0.000 0.762 653 P CB 0.381 31.421 31.700 -1.099 0.000 0.799 654 V N 7.244 127.042 119.914 -0.194 0.000 2.334 654 V HA 0.266 4.386 4.120 -0.001 0.000 0.281 654 V C -2.111 174.113 176.094 0.216 0.000 1.016 654 V CA -2.158 60.148 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 0.455 nan 8.190 nan 0.000 0.439 655 P HA 0.139 nan 4.420 nan 0.000 0.263 655 P C 0.238 177.629 177.300 0.151 0.000 1.195 655 P CA 0.458 63.626 63.100 0.114 0.000 0.762 655 P CB 0.687 32.200 31.700 -0.310 0.000 0.799 656 A N 4.369 127.320 122.820 0.218 0.000 2.404 656 A HA 0.034 4.354 4.320 -0.001 0.000 0.258 656 A C 0.725 178.402 177.584 0.155 0.000 1.644 656 A CA -0.053 52.077 52.037 0.155 0.000 0.847 656 A CB -0.350 18.718 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 -2.604 172.975 175.510 0.115 0.000 1.136 657 N CA -0.882 52.222 53.050 0.091 0.000 0.961 657 N CB 0.308 38.824 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 61.950 63.100 0.169 0.000 0.844 658 P CB 0.289 32.122 31.700 0.221 0.000 1.068 659 P HA 0.230 nan 4.420 nan 0.000 0.277 659 P C 0.530 177.861 177.300 0.052 0.000 1.240 659 P CA -0.205 62.909 63.100 0.023 0.000 0.798 659 P CB 0.336 32.027 31.700 -0.015 0.000 0.979 660 T N -1.232 113.347 114.554 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 1.243 63.374 62.100 0.052 0.000 1.119 660 T CB -0.204 68.687 68.868 0.037 0.000 0.900 660 T HN 0.477 nan 8.240 nan 0.000 0.503 661 T N 1.027 115.619 114.554 0.063 0.000 2.867 661 T HA 0.486 4.835 4.350 -0.001 0.000 0.282 661 T C -0.740 174.033 174.700 0.123 0.000 1.000 661 T CA -0.972 61.180 62.100 0.087 0.000 1.042 661 T CB 0.257 69.156 68.868 0.051 0.000 0.973 661 T HN 0.131 nan 8.240 nan 0.000 0.465 662 F N 4.248 124.210 119.950 0.021 0.000 2.484 662 F HA 0.495 5.021 4.527 -0.001 0.000 0.360 662 F C 0.330 176.144 175.800 0.023 0.000 1.101 662 F CA -0.048 57.969 58.000 0.029 0.000 1.251 662 F CB 0.644 39.662 39.000 0.029 0.000 1.132 662 F HN 0.448 nan 8.300 nan 0.000 0.570 663 S N 6.922 122.116 115.700 -0.842 0.000 2.605 663 S HA 0.510 4.979 4.470 -0.001 0.000 0.308 663 S C -1.906 172.140 174.600 -0.923 0.000 1.113 663 S CA -1.281 56.500 58.200 -0.698 0.000 1.049 663 S CB 1.409 64.407 63.200 -0.337 0.000 1.001 663 S HN 0.531 nan 8.310 nan 0.000 0.480 664 P HA 0.225 nan 4.420 nan 0.000 0.236 664 P C 0.165 177.373 177.300 -0.154 0.000 1.177 664 P CA 0.148 63.048 63.100 -0.332 0.000 0.773 664 P CB -0.041 31.592 31.700 -0.113 0.000 0.878 665 A N 0.909 123.627 122.820 -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 -0.303 18.620 19.000 -0.127 0.000 0.995 665 A HN 0.065 nan 8.150 nan 0.000 0.501 666 K N 1.664 122.066 120.400 0.003 0.000 2.524 666 K HA 0.016 4.336 4.320 -0.001 0.000 0.279 666 K C -0.824 175.810 176.600 0.057 0.000 0.993 666 K CA 0.235 56.567 56.287 0.075 0.000 1.030 666 K CB 0.057 32.612 32.500 0.093 0.000 0.891 666 K HN 0.497 nan 8.250 nan 0.000 0.488 667 F N 2.988 122.940 119.950 0.003 0.000 2.456 667 F HA 0.244 4.771 4.527 -0.001 0.000 0.358 667 F C 0.707 176.422 175.800 -0.141 0.000 1.095 667 F CA 0.765 58.706 58.000 -0.099 0.000 1.216 667 F CB 1.212 40.166 39.000 -0.077 0.000 1.125 667 F HN 0.681 nan 8.300 nan 0.000 0.549 668 A N 3.071 125.686 122.820 -0.342 0.000 2.704 668 A HA 0.181 4.501 4.320 -0.001 0.000 0.260 668 A C 0.127 177.473 177.584 -0.397 0.000 1.144 668 A CA 0.025 51.943 52.037 -0.199 0.000 0.985 668 A CB -0.124 18.861 19.000 -0.024 0.000 1.256 668 A HN 0.481 nan 8.150 nan 0.000 0.598 669 S N 0.713 116.008 115.700 -0.675 0.000 2.466 669 S HA 0.713 5.183 4.470 -0.001 0.000 0.313 669 S C -0.952 173.453 174.600 -0.325 0.000 1.078 669 S CA -0.338 57.626 58.200 -0.394 0.000 1.115 669 S CB -0.540 62.449 63.200 -0.351 0.000 1.006 669 S HN 0.202 nan 8.310 nan 0.000 0.487 670 F N 3.055 123.133 119.950 0.213 0.000 2.556 670 F HA 0.571 5.098 4.527 -0.001 0.000 0.327 670 F C 0.440 176.327 175.800 0.146 0.000 1.059 670 F CA -1.276 56.841 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 1.503 122.266 120.570 0.322 0.000 2.471 671 I HA 0.113 4.282 4.170 -0.001 0.000 0.286 671 I C 0.349 176.590 176.117 0.207 0.000 1.079 671 I CA -0.359 61.061 61.300 0.200 0.000 1.398 671 I CB 0.911 38.992 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 0.396 4.745 4.350 -0.001 0.000 0.297 672 T C -0.381 174.390 174.700 0.118 0.000 0.956 672 T CA -0.640 61.539 62.100 0.132 0.000 1.123 672 T CB 0.769 69.693 68.868 0.094 0.000 0.902 672 T HN 0.731 nan 8.240 nan 0.000 0.528 673 Q N 2.306 122.177 119.800 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 54.506 55.803 0.096 0.000 0.828 673 Q CB 1.494 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 -0.846 175.059 175.900 0.008 0.000 1.002 674 Y CA -0.826 57.261 58.100 -0.022 0.000 1.039 674 Y CB 2.036 40.466 38.460 -0.050 0.000 1.271 674 Y HN 0.819 nan 8.280 nan 0.000 0.467 675 S N 1.071 116.830 115.700 0.099 0.000 2.621 675 S HA 0.849 5.318 4.470 -0.001 0.000 0.302 675 S C -0.650 174.036 174.600 0.143 0.000 1.093 675 S CA -0.461 57.789 58.200 0.084 0.000 1.017 675 S CB 1.939 65.279 63.200 0.234 0.000 1.077 675 S HN 1.073 nan 8.310 nan 0.000 0.517 676 T N -0.452 114.007 114.554 -0.158 0.000 2.853 676 T HA 0.760 5.109 4.350 -0.001 0.000 0.311 676 T C -0.346 173.658 174.700 -1.159 0.000 1.307 676 T CA 0.269 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 1.735 nan 8.240 nan 0.000 0.497 677 G N 1.802 109.454 108.800 -1.913 0.000 2.325 677 G HA2 0.494 4.453 3.960 -0.001 0.000 0.295 677 G HA3 0.494 4.453 3.960 -0.001 0.000 0.295 677 G C -2.091 172.012 174.900 -1.329 0.000 1.274 677 G CA -0.666 43.695 45.100 -1.233 0.000 0.857 677 G HN 0.768 nan 8.290 nan 0.000 0.499 678 Q N -1.349 118.047 119.800 -0.673 0.000 2.248 678 Q HA 0.757 5.097 4.340 -0.001 0.000 0.263 678 Q C -0.570 175.211 176.000 -0.366 0.000 1.007 678 Q CA -0.729 54.720 55.803 -0.590 0.000 0.877 678 Q CB 2.539 30.788 28.738 -0.814 0.000 1.315 678 Q HN 0.972 nan 8.270 nan 0.000 0.454 679 V N 0.208 120.034 119.914 -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 -0.182 0.000 0.930 679 V CB 2.344 34.116 31.823 -0.085 0.000 1.014 679 V HN 0.692 nan 8.190 nan 0.000 0.425 680 S N 4.311 119.897 115.700 -0.189 0.000 2.557 680 S HA 0.817 5.287 4.470 -0.001 0.000 0.291 680 S C -1.477 172.954 174.600 -0.282 0.000 1.116 680 S CA -0.453 57.665 58.200 -0.137 0.000 0.992 680 S CB 1.595 64.834 63.200 0.064 0.000 1.028 680 S HN 0.878 nan 8.310 nan 0.000 0.484 681 V N 4.956 124.735 119.914 -0.225 0.000 2.443 681 V HA 0.498 4.618 4.120 -0.001 0.000 0.293 681 V C -0.233 175.783 176.094 -0.129 0.000 1.021 681 V CA -0.650 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 5.478 125.614 120.200 -0.107 0.000 2.151 682 E HA 0.651 5.000 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 1.422 31.057 29.700 -0.109 0.000 1.108 682 E HN 0.647 nan 8.360 nan 0.000 0.401 683 I N 3.531 124.056 120.570 -0.075 0.000 2.498 683 I HA 0.270 4.439 4.170 -0.001 0.000 0.290 683 I C -0.217 175.768 176.117 -0.219 0.000 1.032 683 I CA -0.801 60.398 61.300 -0.168 0.000 1.073 683 I CB 2.062 39.911 38.000 -0.252 0.000 1.251 683 I HN 0.554 nan 8.210 nan 0.000 0.426 684 E N 5.217 125.236 120.200 -0.302 0.000 2.231 684 E HA 0.373 4.723 4.350 -0.001 0.000 0.277 684 E C -1.935 174.425 176.600 -0.399 0.000 0.999 684 E CA -0.584 55.692 56.400 -0.207 0.000 0.827 684 E CB 1.305 30.933 29.700 -0.120 0.000 1.101 684 E HN 0.405 nan 8.360 nan 0.000 0.393 685 W N 2.728 124.018 121.300 -0.017 0.000 2.683 685 W HA 0.287 4.947 4.660 -0.001 0.000 0.329 685 W C -0.204 176.360 176.519 0.076 0.000 1.037 685 W CA -0.701 56.675 57.345 0.052 0.000 1.232 685 W CB 1.253 30.807 29.460 0.157 0.000 1.390 685 W HN 0.459 nan 8.180 nan 0.000 0.465 686 E N 3.254 123.603 120.200 0.248 0.000 2.331 686 E HA 0.473 4.822 4.350 -0.001 0.000 0.272 686 E C -0.901 175.978 176.600 0.464 0.000 1.036 686 E CA -0.284 56.270 56.400 0.258 0.000 0.864 686 E CB 0.823 30.599 29.700 0.126 0.000 1.035 686 E HN 0.461 nan 8.360 nan 0.000 0.408 687 L N 3.303 124.804 121.223 0.463 0.000 2.342 687 L HA 0.362 4.701 4.340 -0.001 0.000 0.271 687 L C -0.297 176.812 176.870 0.398 0.000 1.008 687 L CA -0.764 54.377 54.840 0.501 0.000 0.818 687 L CB 1.921 44.199 42.059 0.365 0.000 1.296 687 L HN 0.545 nan 8.230 nan 0.000 0.427 688 Q N 3.103 123.067 119.800 0.274 0.000 2.394 688 Q HA 0.251 4.591 4.340 -0.001 0.000 0.259 688 Q C -0.823 175.183 176.000 0.010 0.000 1.021 688 Q CA -0.786 54.981 55.803 -0.060 0.000 0.805 688 Q CB 1.165 29.620 28.738 -0.470 0.000 1.226 688 Q HN 0.343 nan 8.270 nan 0.000 0.476 689 K N 1.835 122.198 120.400 -0.062 0.000 2.230 689 K HA 0.050 4.370 4.320 -0.001 0.000 0.253 689 K C -0.099 176.243 176.600 -0.429 0.000 1.008 689 K CA -0.004 56.187 56.287 -0.159 0.000 0.910 689 K CB 0.658 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 4.385 4.350 -0.001 0.000 0.283 690 E C -1.019 175.004 176.600 -0.962 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 -1.050 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 -1.056 0.000 2.762 691 N HA 0.116 4.855 4.740 -0.001 0.000 0.252 691 N C -1.840 173.568 175.510 -0.169 0.000 1.269 691 N CA -0.222 52.576 53.050 -0.419 0.000 0.799 691 N CB 0.968 39.319 38.487 -0.228 0.000 1.173 691 N HN 0.232 nan 8.380 nan 0.000 0.516 692 S N 1.103 116.712 115.700 -0.151 0.000 2.513 692 S HA 0.444 4.914 4.470 -0.001 0.000 0.299 692 S C 0.063 174.684 174.600 0.036 0.000 1.087 692 S CA -0.617 57.626 58.200 0.071 0.000 1.012 692 S CB 0.670 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 2.366 122.813 120.400 0.079 0.000 2.493 693 K HA 0.156 4.475 4.320 -0.001 0.000 0.207 693 K C 0.268 176.943 176.600 0.125 0.000 1.033 693 K CA -0.264 56.074 56.287 0.084 0.000 1.161 693 K CB -0.133 32.418 32.500 0.085 0.000 0.873 693 K HN 0.555 nan 8.250 nan 0.000 0.491 694 R N 0.967 121.539 120.500 0.119 0.000 2.502 694 R HA -0.108 4.232 4.340 -0.001 0.000 0.292 694 R C 1.083 177.474 176.300 0.152 0.000 0.998 694 R CA 0.235 56.419 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 0.296 nan 8.270 nan 0.000 0.411 695 W N 5.835 127.149 121.300 0.024 0.000 2.452 695 W HA -0.092 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 1.128 58.482 57.345 0.015 0.000 1.350 695 W CB -0.231 29.237 29.460 0.013 0.000 1.148 695 W HN 0.755 nan 8.180 nan 0.000 0.498 696 N N 2.066 120.888 118.700 0.204 0.000 2.444 696 N HA 0.089 4.829 4.740 -0.001 0.000 0.255 696 N C -2.700 172.813 175.510 0.006 0.000 1.255 696 N CA -1.049 52.053 53.050 0.086 0.000 0.933 696 N CB -0.612 37.974 38.487 0.164 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 -0.198 177.120 177.300 0.029 0.000 1.200 697 P CA 0.270 63.360 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 1.347 121.572 120.200 0.042 0.000 2.292 698 E HA 0.367 4.716 4.350 -0.001 0.000 0.258 698 E C 0.288 176.941 176.600 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 -1.201 119.439 120.570 0.116 0.000 2.519 699 I HA 0.197 4.367 4.170 -0.001 0.000 0.287 699 I C -0.351 175.926 176.117 0.267 0.000 1.047 699 I CA -0.484 60.907 61.300 0.151 0.000 1.381 699 I CB 0.650 38.721 38.000 0.117 0.000 1.417 699 I HN 0.169 nan 8.210 nan 0.000 0.540 700 Q N 4.686 124.637 119.800 0.251 0.000 2.394 700 Q HA 0.303 4.643 4.340 -0.001 0.000 0.273 700 Q C -1.405 174.732 176.000 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 0.998 121.189 120.300 -0.182 0.000 2.346 701 Y HA 0.294 4.844 4.550 -0.001 0.000 0.330 701 Y C -0.116 175.763 175.900 -0.035 0.000 1.178 701 Y CA 0.865 58.872 58.100 -0.155 0.000 1.331 701 Y CB 0.988 39.123 38.460 -0.541 0.000 1.253 701 Y HN 0.616 nan 8.280 nan 0.000 0.529 702 T N 3.636 117.786 114.554 -0.673 0.000 2.840 702 T HA 0.433 4.783 4.350 -0.001 0.000 0.317 702 T C -1.239 173.225 174.700 -0.393 0.000 1.401 702 T CA -0.752 61.152 62.100 -0.327 0.000 1.028 702 T CB 0.871 69.666 68.868 -0.121 0.000 1.317 702 T HN 0.613 nan 8.240 nan 0.000 0.495 703 S N 2.049 117.696 115.700 -0.089 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 -0.630 57.575 58.200 0.009 0.000 1.035 703 S CB 0.184 63.448 63.200 0.106 0.000 0.962 703 S HN 0.713 nan 8.310 nan 0.000 0.512 704 N N 1.931 120.660 118.700 0.048 0.000 2.427 704 N HA 0.054 4.794 4.740 -0.001 0.000 0.269 704 N C 0.650 176.206 175.510 0.077 0.000 1.235 704 N CA -0.126 52.965 53.050 0.068 0.000 0.934 704 N CB 0.171 38.660 38.487 0.003 0.000 1.121 704 N HN 0.755 nan 8.380 nan 0.000 0.480 705 Y N 1.096 121.394 120.300 -0.004 0.000 2.639 705 Y HA 0.079 4.628 4.550 -0.001 0.000 0.297 705 Y C 0.062 175.965 175.900 0.004 0.000 1.151 705 Y CA -0.512 57.589 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 2.535 120.873 118.700 -0.603 0.000 2.415 706 N HA -0.032 4.708 4.740 -0.001 0.000 0.248 706 N C -0.496 174.876 175.510 -0.229 0.000 1.271 706 N CA -0.201 52.526 53.050 -0.539 0.000 0.913 706 N CB 0.514 38.746 38.487 -0.425 0.000 1.129 706 N HN 0.317 nan 8.380 nan 0.000 0.444 707 K N 0.557 120.852 120.400 -0.174 0.000 2.453 707 K HA 0.002 4.322 4.320 -0.001 0.000 0.280 707 K C -0.303 176.251 176.600 -0.077 0.000 1.045 707 K CA 0.363 56.595 56.287 -0.092 0.000 1.059 707 K CB 0.215 32.673 32.500 -0.071 0.000 0.901 707 K HN 0.453 nan 8.250 nan 0.000 0.475 708 S N 2.787 118.455 115.700 -0.052 0.000 2.599 708 S HA 0.328 4.798 4.470 -0.001 0.000 0.294 708 S C 0.843 175.424 174.600 -0.032 0.000 1.094 708 S CA -1.053 57.121 58.200 -0.043 0.000 0.931 708 S CB 1.581 64.760 63.200 -0.035 0.000 1.093 708 S HN 0.366 nan 8.310 nan 0.000 0.488 709 V N 3.233 123.127 119.914 -0.034 0.000 2.238 709 V HA -0.009 4.111 4.120 -0.001 0.000 0.235 709 V C 0.796 176.873 176.094 -0.029 0.000 1.037 709 V CA 1.485 63.766 62.300 -0.032 0.000 0.991 709 V CB -0.865 30.936 31.823 -0.037 0.000 0.638 709 V HN 0.837 nan 8.190 nan 0.000 0.457 710 N N -0.900 117.778 118.700 -0.036 0.000 2.472 710 N HA 0.477 5.217 4.740 -0.001 0.000 0.289 710 N C -1.031 174.463 175.510 -0.026 0.000 1.156 710 N CA -0.601 52.427 53.050 -0.036 0.000 0.940 710 N CB 1.972 40.424 38.487 -0.058 0.000 1.200 710 N HN 0.084 nan 8.380 nan 0.000 0.511 711 V N 1.379 121.287 119.914 -0.009 0.000 2.530 711 V HA 0.044 4.164 4.120 -0.001 0.000 0.282 711 V C -0.065 176.042 176.094 0.020 0.000 1.048 711 V CA -0.435 61.880 62.300 0.024 0.000 0.997 711 V CB 0.765 32.621 31.823 0.056 0.000 0.987 711 V HN 0.615 nan 8.190 nan 0.000 0.477 712 D N 4.646 125.081 120.400 0.058 0.000 2.487 712 D HA 0.105 4.745 4.640 -0.001 0.000 0.243 712 D C 0.110 176.534 176.300 0.206 0.000 1.154 712 D CA 0.679 54.714 54.000 0.058 0.000 0.876 712 D CB 0.015 40.940 40.800 0.209 0.000 1.161 712 D HN 0.483 nan 8.370 nan 0.000 0.478 713 F N 0.021 119.922 119.950 -0.082 0.000 2.563 713 F HA -0.266 4.261 4.527 -0.001 0.000 0.351 713 F C 0.315 176.095 175.800 -0.032 0.000 1.086 713 F CA 0.352 58.266 58.000 -0.143 0.000 1.174 713 F CB -1.737 37.303 39.000 0.066 0.000 1.590 713 F HN 0.166 nan 8.300 nan 0.000 0.808 714 T N -0.765 113.719 114.554 -0.116 0.000 2.786 714 T HA 0.607 4.957 4.350 -0.001 0.000 0.316 714 T C -0.175 174.456 174.700 -0.115 0.000 1.503 714 T CA -0.464 61.650 62.100 0.024 0.000 1.019 714 T CB 1.927 70.823 68.868 0.046 0.000 1.415 714 T HN 0.495 nan 8.240 nan 0.000 0.496 715 V N 0.358 120.211 119.914 -0.101 0.000 3.185 715 V HA 0.637 4.757 4.120 -0.001 0.000 0.305 715 V C 0.235 176.275 176.094 -0.091 0.000 1.090 715 V CA -0.375 61.841 62.300 -0.141 0.000 1.107 715 V CB 0.396 32.110 31.823 -0.181 0.000 1.061 715 V HN 0.996 nan 8.190 nan 0.000 0.480 716 D N 1.079 121.430 120.400 -0.082 0.000 2.509 716 D HA 0.243 4.883 4.640 -0.001 0.000 0.275 716 D C 1.393 177.670 176.300 -0.040 0.000 1.189 716 D CA 0.360 54.323 54.000 -0.061 0.000 1.098 716 D CB -0.254 40.506 40.800 -0.067 0.000 1.177 716 D HN 0.688 nan 8.370 nan 0.000 0.599 717 T N -2.971 111.563 114.554 -0.033 0.000 2.915 717 T HA -0.121 4.229 4.350 -0.001 0.000 0.269 717 T C 0.683 175.372 174.700 -0.018 0.000 1.071 717 T CA 1.274 63.361 62.100 -0.022 0.000 1.132 717 T CB -0.770 68.085 68.868 -0.021 0.000 0.878 717 T HN 0.543 nan 8.240 nan 0.000 0.479 718 N N 0.253 118.940 118.700 -0.021 0.000 2.291 718 N HA 0.413 5.153 4.740 -0.001 0.000 0.244 718 N C 0.714 176.216 175.510 -0.013 0.000 1.216 718 N CA -0.166 52.875 53.050 -0.014 0.000 0.879 718 N CB 0.293 38.772 38.487 -0.013 0.000 1.167 718 N HN 0.498 nan 8.380 nan 0.000 0.515 719 G N -0.126 108.661 108.800 -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 -0.937 173.946 174.900 -0.027 0.000 1.115 719 G CA -0.003 45.083 45.100 -0.023 0.000 1.122 719 G HN 0.343 nan 8.290 nan 0.000 0.522 720 V N 1.903 121.785 119.914 -0.053 0.000 2.488 720 V HA 0.411 4.531 4.120 -0.001 0.000 0.293 720 V C 0.020 176.069 176.094 -0.074 0.000 1.027 720 V CA -1.343 60.932 62.300 -0.042 0.000 0.862 720 V CB 1.514 33.316 31.823 -0.035 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 0.460 5.010 4.550 -0.001 0.000 0.332 721 Y C 0.719 176.534 175.900 -0.142 0.000 1.177 721 Y CA 0.266 58.213 58.100 -0.254 0.000 1.422 721 Y CB 1.014 39.299 38.460 -0.291 0.000 1.271 721 Y HN 0.729 nan 8.280 nan 0.000 0.550 722 S N 4.375 119.637 115.700 -0.729 0.000 2.619 722 S HA 0.413 4.883 4.470 -0.001 0.000 0.280 722 S C -1.506 172.641 174.600 -0.756 0.000 1.150 722 S CA -1.196 56.672 58.200 -0.553 0.000 0.978 722 S CB 1.402 64.395 63.200 -0.345 0.000 1.041 722 S HN 0.676 nan 8.310 nan 0.000 0.485 723 E N 3.100 122.965 120.200 -0.558 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 -0.594 0.000 1.045 723 E CA -2.002 54.037 56.400 -0.603 0.000 0.833 723 E CB 0.461 30.046 29.700 -0.191 0.000 1.077 723 E HN 0.355 nan 8.360 nan 0.000 0.397 724 P HA -0.216 nan 4.420 nan 0.000 0.208 724 P C 0.202 177.339 177.300 -0.273 0.000 1.180 724 P CA 1.518 64.321 63.100 -0.496 0.000 0.935 724 P CB 0.181 31.559 31.700 -0.538 0.000 0.785 725 R N -1.609 118.781 120.500 -0.184 0.000 2.892 725 R HA 0.616 4.955 4.340 -0.001 0.000 0.265 725 R C -2.949 173.406 176.300 0.092 0.000 1.025 725 R CA -2.323 53.786 56.100 0.014 0.000 0.982 725 R CB 0.099 30.473 30.300 0.123 0.000 1.185 725 R HN -0.138 nan 8.270 nan 0.000 0.484 726 P HA 0.197 nan 4.420 nan 0.000 0.274 726 P C -0.697 176.764 177.300 0.268 0.000 1.231 726 P CA -0.367 62.793 63.100 0.100 0.000 0.790 726 P CB 0.523 32.250 31.700 0.045 0.000 0.951 727 I N 1.881 122.646 120.570 0.325 0.000 2.382 727 I HA 0.302 4.471 4.170 -0.001 0.000 0.286 727 I C 1.168 177.645 176.117 0.600 0.000 1.002 727 I CA -0.313 61.215 61.300 0.380 0.000 1.135 727 I CB 0.752 38.849 38.000 0.163 0.000 1.288 727 I HN 0.418 nan 8.210 nan 0.000 0.448 728 G N 3.530 112.682 108.800 0.586 0.000 2.631 728 G HA2 0.223 4.182 3.960 -0.001 0.000 0.271 728 G HA3 0.223 4.182 3.960 -0.001 0.000 0.271 728 G C 0.545 175.616 174.900 0.284 0.000 1.302 728 G CA 0.145 45.461 45.100 0.360 0.000 1.002 728 G HN 0.577 nan 8.290 nan 0.000 0.519 729 T N -1.401 113.243 114.554 0.150 0.000 2.986 729 T HA 0.176 4.526 4.350 -0.001 0.000 0.264 729 T C 0.913 175.722 174.700 0.183 0.000 0.964 729 T CA -0.221 61.944 62.100 0.108 0.000 0.895 729 T CB 0.022 68.960 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 0.159 0.000 2.391 730 R HA 0.344 4.684 4.340 -0.001 0.000 0.310 730 R C -0.590 175.745 176.300 0.059 0.000 1.174 730 R CA -0.167 55.964 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 0.597 120.921 120.300 0.040 0.000 2.452 731 Y HA 0.237 4.787 4.550 -0.001 0.000 0.262 731 Y C 0.464 176.420 175.900 0.092 0.000 1.089 731 Y CA -0.069 58.075 58.100 0.073 0.000 1.262 731 Y CB 0.880 39.391 38.460 0.086 0.000 1.236 731 Y HN 0.244 nan 8.280 nan 0.000 0.512 732 L N 0.739 122.122 121.223 0.267 0.000 2.334 732 L HA 0.467 4.807 4.340 -0.001 0.000 0.275 732 L C 0.170 177.137 176.870 0.163 0.000 1.036 732 L CA -0.763 54.262 54.840 0.309 0.000 0.807 732 L CB 1.561 43.966 42.059 0.576 0.000 1.231 732 L HN 0.007 nan 8.230 nan 0.000 0.438 733 T N -0.224 114.430 114.554 0.166 0.000 2.794 733 T HA 0.573 4.923 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 2.029 70.939 68.868 0.069 0.000 0.939 733 T HN 0.592 nan 8.240 nan 0.000 0.449 734 R N 2.088 122.400 120.500 -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 1.449 31.115 30.300 -1.055 0.000 1.191 734 R HN 0.713 nan 8.270 nan 0.000 0.471 735 N N 0.954 119.622 118.700 -0.052 0.000 2.374 735 N HA 0.344 5.084 4.740 -0.001 0.000 0.284 735 N C -0.219 175.322 175.510 0.052 0.000 1.280 735 N CA -0.269 52.796 53.050 0.025 0.000 0.963 735 N CB 0.326 38.821 38.487 0.013 0.000 1.141 735 N HN 0.361 nan 8.380 nan 0.000 0.565 736 L N 0.000 121.219 121.223 -0.006 0.000 2.949 736 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 736 L CA 0.000 54.781 54.840 -0.098 0.000 0.813 736 L CB 0.000 41.952 42.059 -0.178 0.000 0.961 736 L HN 0.000 nan 8.230 nan 0.000 0.502