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_J DATA FIRST_RESID 217 DATA SEQUENCE GADGVGNSSG NWHCDSQWLG DRVITTSTRT WALPTYNNHL YKQISSQSGA DATA SEQUENCE SNDNHYFGYS TPWGYFDFNR FHCHFSPRDW QRLINNNWGF RPKKLSFKLF DATA SEQUENCE NIQVKEVTQN DGTTTIANNL TSTVQVFTDS EYQLPYVLGS AHQGCLPPFP DATA SEQUENCE ADVFMVPQYG YLTLNNGSQA VGRSSFYCLE YFPSQMLRTG NNFQFSYTFE DATA SEQUENCE DVPFHSSYAH SQSLDRLMNP LIDQYLYYLN RTQGTTSGTT NQSRLLFSQA DATA SEQUENCE GPQSMSLQAR NWLPGPCYRQ QRLSKTANDN NNSNFPWTAA SKYHLNGRDS DATA SEQUENCE LVNPGPAMAS HKDDEEKFFP MHGNLIFGKE GTTASNAELD NVMITDEEEI DATA SEQUENCE RTTNPVATEQ YGTVANNLQS SNTAPTTRTV NDQGALPGMV WQDRDVYLQG DATA SEQUENCE PIWAKIPHTD GHFHPSPLMG GFGLKHPPPQ IMIKNTPVPA NPPTTFSPAK DATA SEQUENCE FASFITQYST GQVSVEIEWE LQKENSKRWN PEIQYTSNYN KSVNVDFTVD DATA SEQUENCE TNGVYSEPRP IGTRYLTRNL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 217 G HA2 0.000 nan 3.960 nan 0.000 0.244 217 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 217 G C 0.000 174.924 174.900 0.040 0.000 0.946 217 G CA 0.000 45.114 45.100 0.023 0.000 0.502 218 A N 1.707 124.547 122.820 0.033 0.000 2.476 218 A HA 0.808 5.127 4.320 -0.001 0.000 0.280 218 A C -1.073 176.530 177.584 0.032 0.000 1.081 218 A CA -0.540 51.520 52.037 0.038 0.000 0.753 218 A CB 1.564 20.583 19.000 0.032 0.000 1.248 218 A HN 0.515 nan 8.150 nan 0.000 0.424 219 D N 0.549 120.972 120.400 0.038 0.000 2.989 219 D HA 0.694 5.333 4.640 -0.001 0.000 0.284 219 D C 0.673 176.994 176.300 0.034 0.000 1.212 219 D CA 0.279 54.298 54.000 0.033 0.000 1.055 219 D CB 1.317 42.136 40.800 0.033 0.000 1.351 219 D HN 0.676 nan 8.370 nan 0.000 0.611 220 G N -0.707 108.112 108.800 0.031 0.000 2.828 220 G HA2 0.456 4.416 3.960 -0.001 0.000 0.244 220 G HA3 0.456 4.416 3.960 -0.001 0.000 0.244 220 G C 0.811 175.729 174.900 0.030 0.000 1.365 220 G CA -0.217 44.900 45.100 0.028 0.000 1.041 220 G HN 0.203 nan 8.290 nan 0.000 0.560 221 V N 0.471 120.398 119.914 0.023 0.000 2.273 221 V HA 0.110 4.230 4.120 -0.001 0.000 0.242 221 V C 2.374 178.480 176.094 0.020 0.000 1.035 221 V CA 1.854 64.167 62.300 0.021 0.000 1.013 221 V CB -0.661 31.171 31.823 0.014 0.000 0.652 221 V HN 0.731 nan 8.190 nan 0.000 0.452 222 G N 1.187 109.998 108.800 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 -0.122 174.790 174.900 0.020 0.000 1.259 222 G CA 0.010 45.120 45.100 0.015 0.000 1.512 222 G HN 0.426 nan 8.290 nan 0.000 0.625 223 N N 0.149 118.865 118.700 0.027 0.000 2.571 223 N HA 0.215 4.954 4.740 -0.001 0.000 0.286 223 N C -0.037 175.501 175.510 0.047 0.000 1.138 223 N CA -0.525 52.544 53.050 0.031 0.000 0.859 223 N CB 1.335 39.839 38.487 0.027 0.000 1.414 223 N HN 0.067 nan 8.380 nan 0.000 0.529 224 S N 1.656 117.388 115.700 0.053 0.000 2.544 224 S HA 0.033 4.503 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 -0.103 58.147 58.200 0.084 0.000 1.075 224 S CB 0.375 63.628 63.200 0.089 0.000 0.849 224 S HN 0.561 nan 8.310 nan 0.000 0.494 225 S N 1.742 117.523 115.700 0.135 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 1.526 nan 8.310 nan 0.000 0.487 226 G N 0.296 109.102 108.800 0.011 0.000 2.340 226 G HA2 0.342 4.302 3.960 -0.001 0.000 0.298 226 G HA3 0.342 4.302 3.960 -0.001 0.000 0.298 226 G C -1.802 172.965 174.900 -0.221 0.000 1.498 226 G CA -1.089 43.787 45.100 -0.372 0.000 0.847 226 G HN 0.267 nan 8.290 nan 0.000 0.594 227 N N -0.711 117.808 118.700 -0.303 0.000 2.471 227 N HA 0.427 5.166 4.740 -0.001 0.000 0.288 227 N C -0.780 174.729 175.510 -0.002 0.000 1.220 227 N CA -0.851 52.146 53.050 -0.087 0.000 0.893 227 N CB 1.998 40.386 38.487 -0.164 0.000 1.256 227 N HN 0.536 nan 8.380 nan 0.000 0.534 228 W N 2.786 124.023 121.300 -0.105 0.000 2.365 228 W HA 0.141 4.801 4.660 -0.001 0.000 0.371 228 W C -0.953 175.469 176.519 -0.162 0.000 1.006 228 W CA 0.004 57.341 57.345 -0.012 0.000 1.528 228 W CB -0.287 29.173 29.460 -0.000 0.000 1.497 228 W HN 0.458 nan 8.180 nan 0.000 0.367 229 H N 4.860 123.855 119.070 -0.126 0.000 2.787 229 H HA 0.181 4.736 4.556 -0.001 0.000 0.275 229 H C -0.190 175.022 175.328 -0.194 0.000 1.183 229 H CA -0.032 55.953 56.048 -0.106 0.000 1.290 229 H CB 1.087 30.775 29.762 -0.123 0.000 1.438 229 H HN 0.159 nan 8.280 nan 0.000 0.487 230 C N 4.468 123.771 119.300 0.006 0.000 2.547 230 C HA 0.354 4.813 4.460 -0.001 0.000 0.327 230 C C -0.889 174.145 174.990 0.074 0.000 1.076 230 C CA -0.358 58.661 59.018 0.002 0.000 1.390 230 C CB -0.406 27.351 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 5.282 4.640 -0.001 0.000 0.276 231 D C -1.277 175.017 176.300 -0.011 0.000 1.267 231 D CA 0.158 54.180 54.000 0.037 0.000 0.772 231 D CB 2.111 42.946 40.800 0.059 0.000 1.299 231 D HN 0.627 nan 8.370 nan 0.000 0.421 232 S N 0.815 116.506 115.700 -0.016 0.000 2.603 232 S HA 0.725 5.195 4.470 -0.001 0.000 0.274 232 S C -1.460 173.105 174.600 -0.059 0.000 1.168 232 S CA -0.851 57.289 58.200 -0.100 0.000 0.963 232 S CB 1.721 64.806 63.200 -0.190 0.000 1.078 232 S HN 0.461 nan 8.310 nan 0.000 0.477 233 Q N 1.411 121.149 119.800 -0.104 0.000 2.458 233 Q HA 0.808 5.148 4.340 -0.001 0.000 0.282 233 Q C -1.674 174.267 176.000 -0.098 0.000 1.106 233 Q CA -0.592 55.224 55.803 0.022 0.000 0.814 233 Q CB 0.427 29.209 28.738 0.073 0.000 1.425 233 Q HN 0.761 nan 8.270 nan 0.000 0.437 234 W N 0.337 121.657 121.300 0.033 0.000 2.639 234 W HA 0.573 5.232 4.660 -0.001 0.000 0.347 234 W C -0.010 176.530 176.519 0.035 0.000 1.067 234 W CA -0.782 56.587 57.345 0.040 0.000 1.218 234 W CB 1.104 30.582 29.460 0.031 0.000 1.393 234 W HN 0.451 nan 8.180 nan 0.000 0.557 235 L N 2.769 124.149 121.223 0.262 0.000 2.906 235 L HA 0.234 4.574 4.340 -0.001 0.000 0.255 235 L C 1.665 178.630 176.870 0.159 0.000 1.166 235 L CA 0.904 55.842 54.840 0.163 0.000 0.977 235 L CB -0.743 41.379 42.059 0.106 0.000 1.313 235 L HN 1.013 nan 8.230 nan 0.000 0.549 236 G N 1.076 110.006 108.800 0.216 0.000 2.480 236 G HA2 -0.446 3.514 3.960 -0.001 0.000 0.246 236 G HA3 -0.446 3.514 3.960 -0.001 0.000 0.246 236 G C 0.989 175.973 174.900 0.139 0.000 1.073 236 G CA 1.119 46.307 45.100 0.147 0.000 0.643 236 G HN 0.384 nan 8.290 nan 0.000 0.525 237 D N 0.356 120.839 120.400 0.138 0.000 2.388 237 D HA 0.190 4.829 4.640 -0.001 0.000 0.208 237 D C 1.230 177.634 176.300 0.173 0.000 1.035 237 D CA 1.176 55.253 54.000 0.129 0.000 0.875 237 D CB 0.190 41.045 40.800 0.092 0.000 0.984 237 D HN 0.864 nan 8.370 nan 0.000 0.508 238 R N -1.746 118.866 120.500 0.187 0.000 2.741 238 R HA 0.567 4.907 4.340 -0.001 0.000 0.276 238 R C -2.037 174.351 176.300 0.147 0.000 1.028 238 R CA -0.979 55.236 56.100 0.190 0.000 0.865 238 R CB 1.075 31.457 30.300 0.137 0.000 1.268 238 R HN -0.128 nan 8.270 nan 0.000 0.475 239 V N 1.630 121.597 119.914 0.088 0.000 2.686 239 V HA 0.565 4.684 4.120 -0.001 0.000 0.306 239 V C -1.575 174.489 176.094 -0.051 0.000 1.065 239 V CA -0.878 61.323 62.300 -0.166 0.000 0.894 239 V CB 1.954 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 5.597 126.083 120.570 -0.139 0.000 2.339 240 I HA 0.505 4.674 4.170 -0.001 0.000 0.290 240 I C 0.443 176.479 176.117 -0.135 0.000 0.994 240 I CA 0.072 61.333 61.300 -0.065 0.000 1.191 240 I CB 2.054 40.015 38.000 -0.066 0.000 1.343 240 I HN 0.783 nan 8.210 nan 0.000 0.458 241 T N 1.454 115.972 114.554 -0.061 0.000 2.756 241 T HA 0.596 4.946 4.350 -0.001 0.000 0.290 241 T C -0.069 174.601 174.700 -0.049 0.000 0.985 241 T CA -0.680 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 2.895 117.414 114.554 -0.059 0.000 2.794 242 T HA 0.637 4.987 4.350 -0.001 0.000 0.280 242 T C -0.302 174.373 174.700 -0.043 0.000 0.987 242 T CA -0.737 61.335 62.100 -0.045 0.000 0.993 242 T CB 1.450 70.296 68.868 -0.036 0.000 0.939 242 T HN 0.703 nan 8.240 nan 0.000 0.449 243 S N 1.936 117.599 115.700 -0.061 0.000 2.571 243 S HA 0.685 5.154 4.470 -0.001 0.000 0.284 243 S C -0.935 173.546 174.600 -0.199 0.000 1.128 243 S CA -0.536 57.606 58.200 -0.096 0.000 0.970 243 S CB 1.205 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 5.323 119.658 114.554 -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 69.239 68.868 -1.199 0.000 0.997 244 T HN 0.505 nan 8.240 nan 0.000 0.443 245 R N 1.231 121.565 120.500 -0.276 0.000 2.836 245 R HA 0.637 4.977 4.340 -0.001 0.000 0.269 245 R C -0.817 175.617 176.300 0.224 0.000 1.010 245 R CA -0.816 55.352 56.100 0.113 0.000 0.930 245 R CB 1.680 32.190 30.300 0.350 0.000 1.218 245 R HN 0.564 nan 8.270 nan 0.000 0.473 246 T N 2.617 117.360 114.554 0.315 0.000 2.799 246 T HA 0.514 4.864 4.350 -0.001 0.000 0.286 246 T C -0.194 174.462 174.700 -0.074 0.000 0.973 246 T CA -0.623 61.517 62.100 0.067 0.000 1.035 246 T CB 0.659 69.560 68.868 0.055 0.000 0.932 246 T HN 0.455 nan 8.240 nan 0.000 0.469 247 W N 0.669 121.811 121.300 -0.265 0.000 2.799 247 W HA 0.836 5.496 4.660 -0.001 0.000 0.349 247 W C -1.302 174.995 176.519 -0.371 0.000 1.100 247 W CA -1.716 55.195 57.345 -0.723 0.000 1.174 247 W CB 1.390 30.498 29.460 -0.588 0.000 1.427 247 W HN 0.730 nan 8.180 nan 0.000 0.547 248 A N 2.734 125.541 122.820 -0.023 0.000 2.414 248 A HA 0.761 5.081 4.320 -0.001 0.000 0.306 248 A C -2.197 175.508 177.584 0.201 0.000 1.054 248 A CA -0.759 51.341 52.037 0.105 0.000 0.724 248 A CB 1.977 20.961 19.000 -0.027 0.000 1.267 248 A HN 0.675 nan 8.150 nan 0.000 0.418 249 L N 3.680 125.074 121.223 0.286 0.000 2.404 249 L HA 0.690 5.029 4.340 -0.001 0.000 0.272 249 L C -2.683 174.239 176.870 0.086 0.000 0.980 249 L CA -1.586 53.351 54.840 0.162 0.000 0.836 249 L CB 2.124 44.275 42.059 0.153 0.000 1.238 249 L HN 0.443 nan 8.230 nan 0.000 0.408 250 P HA 0.375 nan 4.420 nan 0.000 0.293 250 P C -1.050 176.093 177.300 -0.262 0.000 1.304 250 P CA -0.420 62.539 63.100 -0.233 0.000 0.767 250 P CB 0.542 31.932 31.700 -0.516 0.000 1.247 251 T N 0.612 114.999 114.554 -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 0.081 62.005 62.100 -0.292 0.000 0.961 251 T CB -0.846 67.806 68.868 -0.359 0.000 0.944 251 T HN 0.126 nan 8.240 nan 0.000 0.481 252 Y N 2.084 122.279 120.300 -0.175 0.000 2.301 252 Y HA 0.188 4.738 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 -0.213 57.812 58.100 -0.126 0.000 1.323 252 Y CB 0.410 38.825 38.460 -0.075 0.000 1.266 252 Y HN 0.707 nan 8.280 nan 0.000 0.527 253 N N 1.935 120.691 118.700 0.092 0.000 2.650 253 N HA -0.395 4.345 4.740 -0.001 0.000 0.249 253 N C -0.364 175.139 175.510 -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 0.169 118.806 118.700 -0.104 0.000 2.714 254 N HA -0.208 4.532 4.740 -0.001 0.000 0.253 254 N C -0.558 174.898 175.510 -0.089 0.000 1.024 254 N CA 2.032 55.000 53.050 -0.138 0.000 0.726 254 N CB -1.746 36.752 38.487 0.017 0.000 0.908 254 N HN 0.722 nan 8.380 nan 0.000 0.542 255 H N -2.733 116.292 119.070 -0.076 0.000 2.861 255 H HA -0.202 4.353 4.556 -0.001 0.000 0.289 255 H C -0.159 175.144 175.328 -0.042 0.000 1.176 255 H CA 1.213 57.165 56.048 -0.159 0.000 1.146 255 H CB -1.141 28.386 29.762 -0.392 0.000 1.330 255 H HN 0.352 nan 8.280 nan 0.000 0.379 256 L N 0.131 121.398 121.223 0.072 0.000 2.401 256 L HA 0.452 4.792 4.340 -0.001 0.000 0.266 256 L C -0.243 176.689 176.870 0.102 0.000 0.991 256 L CA -1.028 53.901 54.840 0.149 0.000 0.818 256 L CB 1.407 43.571 42.059 0.174 0.000 1.321 256 L HN 0.021 nan 8.230 nan 0.000 0.413 257 Y N 2.073 122.526 120.300 0.254 0.000 2.336 257 Y HA 0.324 4.873 4.550 -0.001 0.000 0.335 257 Y C 0.029 176.086 175.900 0.262 0.000 1.046 257 Y CA -0.165 58.122 58.100 0.312 0.000 1.198 257 Y CB 1.018 39.732 38.460 0.422 0.000 1.182 257 Y HN 0.284 nan 8.280 nan 0.000 0.502 258 K N 2.875 123.485 120.400 0.350 0.000 2.270 258 K HA 0.225 4.544 4.320 -0.001 0.000 0.255 258 K C -0.818 175.871 176.600 0.149 0.000 0.936 258 K CA -1.059 55.354 56.287 0.210 0.000 0.809 258 K CB 1.965 34.530 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 0.013 0.000 2.307 259 Q HA 0.195 4.534 4.340 -0.001 0.000 0.261 259 Q C -0.526 175.223 176.000 -0.419 0.000 1.051 259 Q CA -0.334 55.226 55.803 -0.405 0.000 0.911 259 Q CB 0.201 28.744 28.738 -0.325 0.000 1.227 259 Q HN 0.581 nan 8.270 nan 0.000 0.418 260 I N 1.029 121.257 120.570 -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 -0.599 0.000 1.001 260 I CA -0.727 60.343 61.300 -0.383 0.000 1.129 260 I CB 2.080 39.986 38.000 -0.156 0.000 1.308 260 I HN 0.693 nan 8.210 nan 0.000 0.466 261 S N 1.865 117.254 115.700 -0.518 0.000 2.661 261 S HA 0.469 4.938 4.470 -0.001 0.000 0.268 261 S C -0.559 173.497 174.600 -0.906 0.000 1.162 261 S CA -0.591 57.148 58.200 -0.769 0.000 0.817 261 S CB 0.875 63.936 63.200 -0.232 0.000 1.141 261 S HN 0.994 nan 8.310 nan 0.000 0.477 262 S N 1.148 116.365 115.700 -0.806 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 -0.032 0.000 1.339 262 S CA -0.552 57.509 58.200 -0.233 0.000 1.039 262 S CB 0.290 63.555 63.200 0.108 0.000 0.902 262 S HN 0.769 nan 8.310 nan 0.000 0.516 263 Q N 1.460 121.281 119.800 0.035 0.000 2.349 263 Q HA 0.055 4.394 4.340 -0.001 0.000 0.287 263 Q C -0.355 175.671 176.000 0.042 0.000 1.044 263 Q CA 0.381 56.198 55.803 0.024 0.000 0.918 263 Q CB 0.549 29.297 28.738 0.018 0.000 1.242 263 Q HN 0.827 nan 8.270 nan 0.000 0.405 264 S N 2.501 118.221 115.700 0.033 0.000 2.711 264 S HA 0.211 4.681 4.470 -0.001 0.000 0.335 264 S C 0.681 175.310 174.600 0.049 0.000 1.175 264 S CA 0.422 58.649 58.200 0.045 0.000 1.372 264 S CB -0.745 62.467 63.200 0.020 0.000 1.337 264 S HN 0.812 nan 8.310 nan 0.000 0.572 265 G N 2.016 110.870 108.800 0.091 0.000 2.353 265 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.294 265 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.294 265 G C 0.465 175.370 174.900 0.007 0.000 1.077 265 G CA -0.022 45.117 45.100 0.064 0.000 1.098 265 G HN 0.958 nan 8.290 nan 0.000 0.511 266 A N -1.075 121.724 122.820 -0.035 0.000 2.127 266 A HA 0.818 5.137 4.320 -0.001 0.000 0.204 266 A C 1.085 178.601 177.584 -0.112 0.000 1.243 266 A CA 1.603 53.604 52.037 -0.060 0.000 0.887 266 A CB 0.834 19.808 19.000 -0.044 0.000 0.933 266 A HN 1.559 nan 8.150 nan 0.000 0.479 267 S N -2.001 113.574 115.700 -0.208 0.000 2.552 267 S HA 0.334 4.804 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 -0.392 57.658 58.200 -0.250 0.000 0.849 267 S CB 1.259 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 0.664 119.240 118.700 -0.207 0.000 2.571 268 N HA 0.034 4.774 4.740 -0.001 0.000 0.195 268 N C 0.017 175.569 175.510 0.069 0.000 1.040 268 N CA 0.202 53.241 53.050 -0.018 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 0.649 121.057 120.400 0.013 0.000 2.363 269 D HA 0.030 4.670 4.640 -0.001 0.000 0.226 269 D C -0.019 176.294 176.300 0.021 0.000 1.020 269 D CA 0.631 54.669 54.000 0.064 0.000 0.892 269 D CB -0.199 40.658 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 -0.049 0.000 2.200 270 N HA 0.006 4.745 4.740 -0.001 0.000 0.224 270 N C 0.040 175.595 175.510 0.074 0.000 1.179 270 N CA -0.354 52.675 53.050 -0.036 0.000 0.877 270 N CB 0.733 39.150 38.487 -0.116 0.000 1.072 270 N HN 0.070 nan 8.380 nan 0.000 0.519 271 H N 1.122 120.276 119.070 0.141 0.000 2.871 271 H HA 0.043 4.599 4.556 -0.001 0.000 0.355 271 H C -0.422 175.081 175.328 0.292 0.000 1.092 271 H CA 0.680 56.836 56.048 0.180 0.000 1.420 271 H CB 0.365 30.182 29.762 0.092 0.000 1.400 271 H HN 0.260 nan 8.280 nan 0.000 0.604 272 Y N 0.547 120.971 120.300 0.206 0.000 2.702 272 Y HA 0.472 5.021 4.550 -0.001 0.000 0.336 272 Y C -2.270 173.746 175.900 0.193 0.000 1.203 272 Y CA -1.376 56.814 58.100 0.151 0.000 1.072 272 Y CB 1.306 39.810 38.460 0.073 0.000 1.327 272 Y HN 0.403 nan 8.280 nan 0.000 0.456 273 F N 1.282 121.201 119.950 -0.051 0.000 2.588 273 F HA 0.833 5.360 4.527 -0.001 0.000 0.314 273 F C -0.346 175.405 175.800 -0.081 0.000 1.134 273 F CA 0.035 57.916 58.000 -0.199 0.000 0.961 273 F CB 1.969 40.876 39.000 -0.155 0.000 1.239 273 F HN 1.087 nan 8.300 nan 0.000 0.448 274 G N 2.932 111.225 108.800 -0.846 0.000 2.588 274 G HA2 0.491 4.451 3.960 -0.001 0.000 0.281 274 G HA3 0.491 4.451 3.960 -0.001 0.000 0.281 274 G C -2.405 171.862 174.900 -1.055 0.000 1.223 274 G CA -0.580 44.137 45.100 -0.638 0.000 0.871 274 G HN 0.516 nan 8.290 nan 0.000 0.492 275 Y N -0.892 119.041 120.300 -0.611 0.000 2.588 275 Y HA 0.728 5.278 4.550 -0.001 0.000 0.343 275 Y C 0.094 175.841 175.900 -0.254 0.000 1.065 275 Y CA -0.797 57.073 58.100 -0.384 0.000 1.038 275 Y CB 2.602 40.945 38.460 -0.195 0.000 1.297 275 Y HN 0.538 nan 8.280 nan 0.000 0.467 276 S N 1.300 117.075 115.700 0.126 0.000 2.456 276 S HA 0.573 5.043 4.470 -0.001 0.000 0.316 276 S C -0.593 174.134 174.600 0.213 0.000 1.089 276 S CA -0.539 57.728 58.200 0.111 0.000 1.101 276 S CB 0.200 63.433 63.200 0.056 0.000 0.995 276 S HN 0.701 nan 8.310 nan 0.000 0.468 277 T N 2.734 117.422 114.554 0.223 0.000 2.902 277 T HA 0.563 4.913 4.350 -0.001 0.000 0.283 277 T C -2.424 172.289 174.700 0.021 0.000 1.009 277 T CA -2.080 60.095 62.100 0.125 0.000 1.051 277 T CB 1.376 70.555 68.868 0.518 0.000 0.999 277 T HN 0.297 nan 8.240 nan 0.000 0.474 278 P HA 0.145 nan 4.420 nan 0.000 0.242 278 P C -0.690 176.570 177.300 -0.068 0.000 1.197 278 P CA 0.042 63.072 63.100 -0.116 0.000 0.765 278 P CB -0.084 31.463 31.700 -0.255 0.000 0.936 279 W N 0.320 121.605 121.300 -0.026 0.000 2.375 279 W HA 0.560 5.220 4.660 -0.001 0.000 0.336 279 W C 1.072 177.570 176.519 -0.035 0.000 1.160 279 W CA -0.045 57.297 57.345 -0.004 0.000 1.266 279 W CB 0.690 30.140 29.460 -0.018 0.000 1.195 279 W HN -0.190 nan 8.180 nan 0.000 0.599 280 G N 0.565 109.460 108.800 0.158 0.000 2.705 280 G HA2 0.738 4.697 3.960 -0.001 0.000 0.299 280 G HA3 0.738 4.697 3.960 -0.001 0.000 0.299 280 G C -1.971 172.929 174.900 -0.001 0.000 1.315 280 G CA -0.711 44.364 45.100 -0.043 0.000 1.045 280 G HN 0.574 nan 8.290 nan 0.000 0.517 281 Y N -2.923 117.229 120.300 -0.247 0.000 2.624 281 Y HA 0.733 5.283 4.550 -0.001 0.000 0.334 281 Y C -1.788 173.918 175.900 -0.322 0.000 1.155 281 Y CA -2.187 55.756 58.100 -0.262 0.000 1.046 281 Y CB 1.065 39.411 38.460 -0.190 0.000 1.316 281 Y HN 0.395 nan 8.280 nan 0.000 0.457 282 F N 1.548 121.550 119.950 0.087 0.000 2.422 282 F HA 0.567 5.093 4.527 -0.001 0.000 0.333 282 F C -0.266 175.635 175.800 0.168 0.000 1.095 282 F CA -0.078 58.011 58.000 0.149 0.000 1.038 282 F CB 1.697 40.863 39.000 0.276 0.000 1.156 282 F HN 0.636 nan 8.300 nan 0.000 0.483 283 D N 1.709 122.302 120.400 0.321 0.000 2.753 283 D HA 0.445 5.085 4.640 -0.001 0.000 0.224 283 D C -0.887 175.495 176.300 0.137 0.000 1.213 283 D CA -0.516 53.524 54.000 0.067 0.000 0.833 283 D CB 1.290 42.141 40.800 0.085 0.000 1.607 283 D HN 0.289 nan 8.370 nan 0.000 0.463 284 F N 0.612 120.662 119.950 0.167 0.000 2.656 284 F HA 0.386 4.913 4.527 -0.001 0.000 0.363 284 F C 0.303 176.152 175.800 0.082 0.000 1.313 284 F CA -0.813 57.248 58.000 0.103 0.000 1.089 284 F CB -0.973 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 1.834 120.367 118.700 -0.279 0.000 2.581 285 N HA 0.133 4.873 4.740 -0.001 0.000 0.230 285 N C -0.382 174.925 175.510 -0.340 0.000 1.310 285 N CA 0.011 52.700 53.050 -0.602 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 -0.414 119.963 120.500 -0.206 0.000 2.628 286 R HA 0.193 4.533 4.340 -0.001 0.000 0.288 286 R C 0.015 176.190 176.300 -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 30.926 30.300 -0.526 0.000 1.188 286 R HN 0.128 nan 8.270 nan 0.000 0.450 287 F N 1.014 120.960 119.950 -0.006 0.000 2.216 287 F HA -0.184 4.343 4.527 -0.001 0.000 0.300 287 F C 2.318 178.157 175.800 0.066 0.000 1.085 287 F CA 1.702 59.790 58.000 0.147 0.000 1.326 287 F CB -0.071 38.837 39.000 -0.153 0.000 1.027 287 F HN 0.721 nan 8.300 nan 0.000 0.497 288 H N -2.782 116.353 119.070 0.109 0.000 2.561 288 H HA -0.039 4.516 4.556 -0.001 0.000 0.278 288 H C 1.752 177.093 175.328 0.022 0.000 1.014 288 H CA 0.579 56.652 56.048 0.042 0.000 1.211 288 H CB -1.413 28.349 29.762 -0.000 0.000 1.365 288 H HN 0.248 nan 8.280 nan 0.000 0.594 289 C N 0.671 119.829 119.300 -0.236 0.000 2.432 289 C HA -0.033 4.426 4.460 -0.001 0.000 0.280 289 C C 1.848 176.605 174.990 -0.388 0.000 1.353 289 C CA 1.013 59.818 59.018 -0.355 0.000 1.766 289 C CB -0.614 26.751 27.740 -0.625 0.000 1.924 289 C HN 0.799 nan 8.230 nan 0.000 0.509 290 H N -2.783 116.406 119.070 0.199 0.000 2.521 290 H HA 0.243 4.799 4.556 -0.001 0.000 0.267 290 H C 0.129 175.417 175.328 -0.065 0.000 0.963 290 H CA 0.192 56.288 56.048 0.080 0.000 1.175 290 H CB -0.202 29.660 29.762 0.166 0.000 1.450 290 H HN 0.311 nan 8.280 nan 0.000 0.472 291 F N 2.896 122.983 119.950 0.229 0.000 2.394 291 F HA 0.261 4.788 4.527 -0.001 0.000 0.340 291 F C 1.142 177.017 175.800 0.125 0.000 1.105 291 F CA -0.856 57.243 58.000 0.165 0.000 1.124 291 F CB 1.206 40.361 39.000 0.260 0.000 1.145 291 F HN -0.037 nan 8.300 nan 0.000 0.505 292 S N 2.732 118.597 115.700 0.274 0.000 2.632 292 S HA 0.370 4.839 4.470 -0.001 0.000 0.267 292 S C -2.024 172.680 174.600 0.173 0.000 1.276 292 S CA -1.169 57.145 58.200 0.189 0.000 0.998 292 S CB 1.510 64.801 63.200 0.152 0.000 0.953 292 S HN 0.344 nan 8.310 nan 0.000 0.547 293 P HA -0.172 nan 4.420 nan 0.000 0.216 293 P C 1.713 179.005 177.300 -0.013 0.000 1.157 293 P CA 1.303 64.307 63.100 -0.160 0.000 0.880 293 P CB -0.032 31.488 31.700 -0.300 0.000 0.791 294 R N 0.345 120.886 120.500 0.069 0.000 2.070 294 R HA -0.143 4.196 4.340 -0.001 0.000 0.233 294 R C 1.834 178.224 176.300 0.149 0.000 1.137 294 R CA 2.057 58.215 56.100 0.097 0.000 0.945 294 R CB -1.664 28.703 30.300 0.111 0.000 0.845 294 R HN 0.096 nan 8.270 nan 0.000 0.430 295 D N -0.350 120.210 120.400 0.268 0.000 2.116 295 D HA -0.257 4.382 4.640 -0.001 0.000 0.193 295 D C 1.689 178.233 176.300 0.406 0.000 0.998 295 D CA 1.324 55.606 54.000 0.470 0.000 0.836 295 D CB -0.652 40.475 40.800 0.544 0.000 0.951 295 D HN 0.409 nan 8.370 nan 0.000 0.449 296 W N 1.945 123.295 121.300 0.084 0.000 2.325 296 W HA -0.234 4.426 4.660 -0.001 0.000 0.299 296 W C 2.220 178.610 176.519 -0.214 0.000 1.215 296 W CA 1.419 58.665 57.345 -0.164 0.000 1.244 296 W CB -0.087 29.226 29.460 -0.245 0.000 1.140 296 W HN 0.119 nan 8.180 nan 0.000 0.523 297 Q N 0.340 120.108 119.800 -0.053 0.000 2.020 297 Q HA -0.234 4.106 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 2.149 57.855 55.803 -0.161 0.000 0.838 297 Q CB -0.277 28.440 28.738 -0.035 0.000 0.899 297 Q HN 0.219 nan 8.270 nan 0.000 0.423 298 R N 0.362 120.753 120.500 -0.181 0.000 2.094 298 R HA -0.191 4.149 4.340 -0.001 0.000 0.239 298 R C 2.529 178.622 176.300 -0.345 0.000 1.137 298 R CA 1.706 57.608 56.100 -0.330 0.000 0.943 298 R CB -0.801 29.155 30.300 -0.574 0.000 0.850 298 R HN 0.354 nan 8.270 nan 0.000 0.433 299 L N 0.811 121.892 121.223 -0.236 0.000 1.971 299 L HA -0.257 4.082 4.340 -0.001 0.000 0.215 299 L C 2.238 178.889 176.870 -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 41.500 42.059 -0.454 0.000 0.889 299 L HN 0.187 nan 8.230 nan 0.000 0.433 300 I N 0.445 120.687 120.570 -0.548 0.000 2.163 300 I HA -0.302 3.868 4.170 -0.001 0.000 0.243 300 I C 1.947 177.938 176.117 -0.211 0.000 1.085 300 I CA 1.523 62.552 61.300 -0.452 0.000 1.347 300 I CB -1.650 35.990 38.000 -0.600 0.000 1.044 300 I HN 0.448 nan 8.210 nan 0.000 0.408 301 N N 1.032 119.599 118.700 -0.221 0.000 2.521 301 N HA -0.057 4.682 4.740 -0.001 0.000 0.188 301 N C 1.071 176.538 175.510 -0.072 0.000 1.146 301 N CA 0.451 53.431 53.050 -0.117 0.000 0.893 301 N CB -0.076 38.332 38.487 -0.132 0.000 0.975 301 N HN 0.468 nan 8.380 nan 0.000 0.451 302 N N -0.280 118.364 118.700 -0.094 0.000 2.266 302 N HA 0.090 4.829 4.740 -0.001 0.000 0.217 302 N C -0.616 174.856 175.510 -0.063 0.000 1.211 302 N CA 0.014 53.002 53.050 -0.104 0.000 0.881 302 N CB 0.783 39.166 38.487 -0.173 0.000 1.153 302 N HN 0.150 nan 8.380 nan 0.000 0.489 303 N N -0.144 118.576 118.700 0.033 0.000 2.342 303 N HA 0.141 4.880 4.740 -0.001 0.000 0.293 303 N C 0.334 176.059 175.510 0.359 0.000 1.026 303 N CA -0.442 52.686 53.050 0.130 0.000 0.857 303 N CB 1.769 40.359 38.487 0.171 0.000 1.256 303 N HN 0.143 nan 8.380 nan 0.000 0.484 304 W N 1.919 123.240 121.300 0.034 0.000 2.321 304 W HA -0.127 4.533 4.660 -0.001 0.000 0.306 304 W C 1.119 177.727 176.519 0.149 0.000 1.217 304 W CA 0.267 57.630 57.345 0.031 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 -1.858 107.198 108.800 0.425 0.000 2.550 305 G HA2 0.468 4.427 3.960 -0.001 0.000 0.293 305 G HA3 0.468 4.427 3.960 -0.001 0.000 0.293 305 G C -1.821 173.535 174.900 0.759 0.000 1.402 305 G CA -0.658 44.732 45.100 0.484 0.000 0.784 305 G HN 0.088 nan 8.290 nan 0.000 0.482 306 F N -1.315 119.077 119.950 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 57.008 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 -0.358 120.344 120.500 0.336 0.000 2.712 307 R HA 0.688 5.028 4.340 -0.001 0.000 0.272 307 R C -3.636 172.588 176.300 -0.127 0.000 1.032 307 R CA -1.933 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 -0.732 176.070 177.300 -0.830 0.000 1.238 308 P CA -0.580 61.759 63.100 -1.268 0.000 0.794 308 P CB 1.155 31.527 31.700 -2.215 0.000 0.955 309 K N 0.999 121.086 120.400 -0.520 0.000 2.537 309 K HA 0.281 4.600 4.320 -0.001 0.000 0.216 309 K C 0.401 177.033 176.600 0.054 0.000 1.349 309 K CA 0.755 56.944 56.287 -0.164 0.000 0.841 309 K CB 0.213 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 0.296 120.682 120.400 -0.023 0.000 2.331 310 K HA 0.552 4.871 4.320 -0.001 0.000 0.238 310 K C -1.223 175.366 176.600 -0.017 0.000 1.058 310 K CA -0.947 55.301 56.287 -0.064 0.000 0.871 310 K CB 1.713 34.138 32.500 -0.125 0.000 1.292 310 K HN -0.086 nan 8.250 nan 0.000 0.470 311 L N -0.354 120.822 121.223 -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 0.046 0.000 1.334 311 L HN 0.513 nan 8.230 nan 0.000 0.407 312 S N 4.375 120.053 115.700 -0.038 0.000 2.779 312 S HA 0.572 5.041 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 63.875 63.200 -0.100 0.000 1.021 312 S HN 0.472 nan 8.310 nan 0.000 0.485 313 F N 3.670 123.632 119.950 0.020 0.000 2.436 313 F HA 0.660 5.187 4.527 -0.001 0.000 0.340 313 F C -0.138 175.724 175.800 0.102 0.000 1.113 313 F CA -0.402 57.656 58.000 0.097 0.000 1.022 313 F CB 0.816 39.990 39.000 0.291 0.000 1.128 313 F HN 0.385 nan 8.300 nan 0.000 0.466 314 K N 7.238 127.365 120.400 -0.454 0.000 2.513 314 K HA 0.556 4.876 4.320 -0.001 0.000 0.251 314 K C -2.114 174.425 176.600 -0.102 0.000 0.939 314 K CA -0.618 55.593 56.287 -0.126 0.000 0.793 314 K CB 1.496 33.975 32.500 -0.035 0.000 1.241 314 K HN 0.763 nan 8.250 nan 0.000 0.431 315 L N 6.056 127.387 121.223 0.181 0.000 2.341 315 L HA 0.682 5.022 4.340 -0.001 0.000 0.278 315 L C -0.759 176.374 176.870 0.439 0.000 1.005 315 L CA -0.825 54.131 54.840 0.193 0.000 0.818 315 L CB 0.940 43.101 42.059 0.170 0.000 1.259 315 L HN 0.706 nan 8.230 nan 0.000 0.418 316 F N -0.514 119.547 119.950 0.185 0.000 2.985 316 F HA 0.398 4.925 4.527 -0.001 0.000 0.322 316 F C 0.058 175.943 175.800 0.142 0.000 1.187 316 F CA -1.440 56.648 58.000 0.148 0.000 0.910 316 F CB 1.083 40.135 39.000 0.087 0.000 1.411 316 F HN 0.459 nan 8.300 nan 0.000 0.492 317 N N 0.346 119.213 118.700 0.278 0.000 2.716 317 N HA -0.210 4.529 4.740 -0.001 0.000 0.250 317 N C -0.967 174.542 175.510 -0.002 0.000 1.033 317 N CA 0.566 53.688 53.050 0.120 0.000 0.727 317 N CB -1.141 37.408 38.487 0.103 0.000 0.950 317 N HN 0.470 nan 8.380 nan 0.000 0.541 318 I N 1.006 121.617 120.570 0.069 0.000 2.588 318 I HA 0.012 4.181 4.170 -0.001 0.000 0.283 318 I C 0.520 176.635 176.117 -0.004 0.000 1.119 318 I CA 0.488 61.823 61.300 0.059 0.000 1.419 318 I CB 0.665 38.778 38.000 0.189 0.000 1.394 318 I HN 0.144 nan 8.210 nan 0.000 0.562 319 Q N 5.440 125.197 119.800 -0.073 0.000 2.305 319 Q HA 0.511 4.851 4.340 -0.001 0.000 0.271 319 Q C -1.374 174.550 176.000 -0.127 0.000 1.046 319 Q CA -0.771 54.975 55.803 -0.094 0.000 0.798 319 Q CB 3.130 31.791 28.738 -0.128 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 -0.391 175.553 176.094 -0.251 0.000 1.022 320 V CA -0.707 61.493 62.300 -0.168 0.000 0.830 320 V CB 0.889 32.663 31.823 -0.082 0.000 1.012 320 V HN 0.545 nan 8.190 nan 0.000 0.452 321 K N 4.269 124.371 120.400 -0.496 0.000 2.183 321 K HA 0.496 4.816 4.320 -0.001 0.000 0.274 321 K C -0.117 176.234 176.600 -0.415 0.000 1.009 321 K CA -0.491 55.489 56.287 -0.510 0.000 0.888 321 K CB 2.198 34.257 32.500 -0.736 0.000 1.078 321 K HN 0.861 nan 8.250 nan 0.000 0.459 322 E N 0.522 120.633 120.200 -0.147 0.000 2.166 322 E HA 0.421 4.770 4.350 -0.001 0.000 0.275 322 E C -0.752 175.879 176.600 0.052 0.000 0.941 322 E CA -0.995 55.393 56.400 -0.020 0.000 0.784 322 E CB 1.872 31.571 29.700 -0.002 0.000 1.115 322 E HN 0.122 nan 8.360 nan 0.000 0.399 323 V N 2.762 122.745 119.914 0.114 0.000 2.630 323 V HA 0.750 4.870 4.120 -0.001 0.000 0.305 323 V C -0.907 175.229 176.094 0.071 0.000 1.046 323 V CA -0.017 62.350 62.300 0.111 0.000 0.934 323 V CB 1.924 33.834 31.823 0.145 0.000 1.003 323 V HN 1.001 nan 8.190 nan 0.000 0.451 324 T N 3.067 117.652 114.554 0.052 0.000 2.879 324 T HA 0.587 4.937 4.350 -0.001 0.000 0.290 324 T C -0.946 173.770 174.700 0.028 0.000 0.993 324 T CA -0.733 61.390 62.100 0.039 0.000 0.975 324 T CB 1.575 70.463 68.868 0.034 0.000 0.981 324 T HN 0.583 nan 8.240 nan 0.000 0.439 325 Q N 3.132 122.946 119.800 0.022 0.000 2.441 325 Q HA 0.405 4.744 4.340 -0.001 0.000 0.234 325 Q C 0.841 176.848 176.000 0.012 0.000 1.078 325 Q CA -0.507 55.304 55.803 0.014 0.000 0.907 325 Q CB 0.620 29.364 28.738 0.009 0.000 1.269 325 Q HN 0.547 nan 8.270 nan 0.000 0.502 326 N N 1.381 120.088 118.700 0.011 0.000 2.124 326 N HA -0.068 4.671 4.740 -0.001 0.000 0.189 326 N C 0.123 175.637 175.510 0.006 0.000 1.050 326 N CA 1.215 54.270 53.050 0.009 0.000 0.848 326 N CB 0.353 38.846 38.487 0.009 0.000 1.027 326 N HN 0.451 nan 8.380 nan 0.000 0.435 327 D N -1.371 119.032 120.400 0.004 0.000 3.013 327 D HA 0.206 4.845 4.640 -0.001 0.000 0.256 327 D C 1.021 177.321 176.300 0.001 0.000 1.573 327 D CA 0.611 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 0.276 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 -0.293 174.606 174.900 -0.002 0.000 1.016 328 G CA 0.058 45.157 45.100 -0.002 0.000 0.819 328 G HN 0.219 nan 8.290 nan 0.000 0.493 329 T N 0.662 115.216 114.554 0.000 0.000 2.881 329 T HA 0.504 4.854 4.350 -0.001 0.000 0.291 329 T C -0.152 174.550 174.700 0.004 0.000 0.990 329 T CA -0.293 61.807 62.100 0.001 0.000 0.976 329 T CB 1.090 69.959 68.868 0.002 0.000 0.970 329 T HN 0.107 nan 8.240 nan 0.000 0.438 330 T N 2.747 117.303 114.554 0.003 0.000 2.729 330 T HA 0.512 4.861 4.350 -0.001 0.000 0.296 330 T C 0.475 175.184 174.700 0.015 0.000 0.928 330 T CA -0.774 61.331 62.100 0.008 0.000 1.045 330 T CB 0.225 69.093 68.868 0.000 0.000 0.902 330 T HN 0.728 nan 8.240 nan 0.000 0.500 331 T N 1.896 116.463 114.554 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 0.578 69.457 68.868 0.020 0.000 0.951 331 T HN 0.636 nan 8.240 nan 0.000 0.460 332 I N 1.986 122.585 120.570 0.048 0.000 2.433 332 I HA 0.731 4.901 4.170 -0.001 0.000 0.292 332 I C 0.218 176.356 176.117 0.034 0.000 1.001 332 I CA -1.044 60.298 61.300 0.071 0.000 1.119 332 I CB 1.677 39.753 38.000 0.126 0.000 1.289 332 I HN 0.955 nan 8.210 nan 0.000 0.438 333 A N 5.123 127.950 122.820 0.012 0.000 2.525 333 A HA 0.665 4.985 4.320 -0.001 0.000 0.291 333 A C -1.221 176.337 177.584 -0.042 0.000 1.268 333 A CA -0.782 51.249 52.037 -0.010 0.000 0.712 333 A CB 1.387 20.385 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 -1.267 174.219 175.510 -0.040 0.000 1.007 334 N CA -0.185 52.834 53.050 -0.052 0.000 0.941 334 N CB 1.246 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 3.801 122.470 118.700 -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 -0.268 52.763 53.050 -0.032 0.000 0.949 335 N CB 0.162 38.631 38.487 -0.031 0.000 1.214 335 N HN 0.486 nan 8.380 nan 0.000 0.504 336 L N 0.540 121.753 121.223 -0.018 0.000 2.046 336 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 336 L C 2.001 178.870 176.870 -0.002 0.000 1.077 336 L CA 1.530 56.364 54.840 -0.010 0.000 0.747 336 L CB -0.754 41.302 42.059 -0.005 0.000 0.896 336 L HN 0.505 nan 8.230 nan 0.000 0.432 337 T N -3.966 110.587 114.554 -0.001 0.000 3.227 337 T HA -0.011 4.339 4.350 -0.001 0.000 0.257 337 T C 0.817 175.518 174.700 0.002 0.000 1.162 337 T CA 0.016 62.118 62.100 0.003 0.000 1.051 337 T CB -0.102 68.768 68.868 0.004 0.000 0.953 337 T HN 0.118 nan 8.240 nan 0.000 0.535 338 S N 1.594 117.292 115.700 -0.003 0.000 2.616 338 S HA 0.600 5.070 4.470 -0.001 0.000 0.277 338 S C 0.235 174.837 174.600 0.003 0.000 1.234 338 S CA -0.572 57.624 58.200 -0.006 0.000 1.028 338 S CB 1.068 64.259 63.200 -0.016 0.000 0.988 338 S HN 0.715 nan 8.310 nan 0.000 0.522 339 T N 0.046 114.602 114.554 0.002 0.000 2.926 339 T HA 0.776 5.126 4.350 -0.001 0.000 0.289 339 T C -0.582 174.127 174.700 0.015 0.000 1.054 339 T CA -0.767 61.344 62.100 0.019 0.000 1.015 339 T CB 1.347 70.228 68.868 0.023 0.000 1.167 339 T HN 0.562 nan 8.240 nan 0.000 0.526 340 V N 0.187 120.124 119.914 0.039 0.000 3.040 340 V HA 0.593 4.713 4.120 -0.001 0.000 0.312 340 V C -1.650 174.467 176.094 0.039 0.000 1.115 340 V CA -0.829 61.487 62.300 0.027 0.000 0.998 340 V CB 2.268 34.137 31.823 0.076 0.000 1.042 340 V HN 1.059 nan 8.190 nan 0.000 0.433 341 Q N 3.224 123.031 119.800 0.013 0.000 2.330 341 Q HA 0.736 5.075 4.340 -0.001 0.000 0.269 341 Q C -1.567 174.567 176.000 0.223 0.000 1.022 341 Q CA -0.643 55.231 55.803 0.120 0.000 0.796 341 Q CB 2.537 31.358 28.738 0.140 0.000 1.271 341 Q HN 0.564 nan 8.270 nan 0.000 0.450 342 V N 2.987 122.996 119.914 0.160 0.000 2.823 342 V HA 0.757 4.876 4.120 -0.001 0.000 0.312 342 V C -0.770 175.353 176.094 0.048 0.000 1.072 342 V CA -0.900 61.368 62.300 -0.054 0.000 0.937 342 V CB 1.398 32.862 31.823 -0.598 0.000 1.013 342 V HN 0.778 nan 8.190 nan 0.000 0.430 343 F N 0.308 120.094 119.950 -0.273 0.000 2.703 343 F HA 0.728 5.254 4.527 -0.001 0.000 0.308 343 F C -0.904 174.683 175.800 -0.356 0.000 1.126 343 F CA -0.628 57.232 58.000 -0.233 0.000 0.959 343 F CB 1.851 40.745 39.000 -0.176 0.000 1.297 343 F HN 0.462 nan 8.300 nan 0.000 0.441 344 T N 1.501 115.900 114.554 -0.258 0.000 2.786 344 T HA 0.275 4.625 4.350 -0.001 0.000 0.283 344 T C -1.159 173.336 174.700 -0.342 0.000 0.992 344 T CA -0.383 61.404 62.100 -0.522 0.000 0.954 344 T CB 0.585 69.023 68.868 -0.717 0.000 0.934 344 T HN 0.824 nan 8.240 nan 0.000 0.440 345 D N 3.596 123.709 120.400 -0.479 0.000 2.441 345 D HA 0.222 4.861 4.640 -0.001 0.000 0.243 345 D C 0.820 176.866 176.300 -0.422 0.000 1.257 345 D CA 0.104 53.901 54.000 -0.339 0.000 1.027 345 D CB 0.118 40.675 40.800 -0.405 0.000 1.084 345 D HN 0.450 nan 8.370 nan 0.000 0.514 346 S N 2.296 117.805 115.700 -0.317 0.000 2.503 346 S HA 0.002 4.472 4.470 -0.001 0.000 0.215 346 S C 1.322 175.681 174.600 -0.402 0.000 1.003 346 S CA -0.079 57.883 58.200 -0.397 0.000 0.910 346 S CB 0.210 63.339 63.200 -0.119 0.000 0.790 346 S HN 0.544 nan 8.310 nan 0.000 0.514 347 E N 0.460 120.549 120.200 -0.185 0.000 2.489 347 E HA 0.084 4.434 4.350 -0.001 0.000 0.193 347 E C -0.814 175.837 176.600 0.085 0.000 1.057 347 E CA -0.191 56.197 56.400 -0.019 0.000 0.866 347 E CB -0.125 29.595 29.700 0.034 0.000 0.916 347 E HN 0.544 nan 8.360 nan 0.000 0.500 348 Y N 0.388 120.706 120.300 0.029 0.000 3.078 348 Y HA -0.302 4.248 4.550 -0.001 0.000 0.202 348 Y C 1.057 176.945 175.900 -0.020 0.000 1.322 348 Y CA 0.324 58.426 58.100 0.003 0.000 1.118 348 Y CB -2.261 36.201 38.460 0.004 0.000 1.343 348 Y HN 0.206 nan 8.280 nan 0.000 0.499 349 Q N -0.249 119.592 119.800 0.069 0.000 2.378 349 Q HA 0.266 4.605 4.340 -0.001 0.000 0.216 349 Q C 0.361 176.244 176.000 -0.196 0.000 0.892 349 Q CA 0.091 55.907 55.803 0.023 0.000 0.931 349 Q CB 0.700 29.527 28.738 0.148 0.000 1.086 349 Q HN 0.510 nan 8.270 nan 0.000 0.528 350 L N 2.406 123.479 121.223 -0.250 0.000 2.312 350 L HA 0.355 4.695 4.340 -0.001 0.000 0.281 350 L C -2.208 174.520 176.870 -0.238 0.000 1.070 350 L CA -2.318 52.245 54.840 -0.461 0.000 0.805 350 L CB 0.892 42.617 42.059 -0.558 0.000 1.174 350 L HN -0.168 nan 8.230 nan 0.000 0.434 351 P HA -0.142 nan 4.420 nan 0.000 0.258 351 P C -1.038 176.320 177.300 0.095 0.000 1.172 351 P CA 0.233 63.336 63.100 0.006 0.000 0.762 351 P CB -0.023 31.716 31.700 0.065 0.000 0.764 352 Y N 3.963 124.272 120.300 0.016 0.000 2.531 352 Y HA 0.114 4.663 4.550 -0.001 0.000 0.347 352 Y C 1.293 177.197 175.900 0.007 0.000 1.024 352 Y CA 0.410 58.522 58.100 0.020 0.000 1.306 352 Y CB 0.449 38.941 38.460 0.055 0.000 1.149 352 Y HN 0.155 nan 8.280 nan 0.000 0.527 353 V N 6.993 126.741 119.914 -0.276 0.000 3.621 353 V HA 0.157 4.277 4.120 -0.001 0.000 0.285 353 V C 0.459 176.363 176.094 -0.316 0.000 1.346 353 V CA 0.219 62.364 62.300 -0.259 0.000 1.104 353 V CB -0.468 31.125 31.823 -0.383 0.000 0.913 353 V HN 0.580 nan 8.190 nan 0.000 0.432 354 L N 0.117 121.032 121.223 -0.513 0.000 2.468 354 L HA 0.568 4.908 4.340 -0.001 0.000 0.254 354 L C 1.460 178.285 176.870 -0.076 0.000 1.171 354 L CA 0.516 55.139 54.840 -0.361 0.000 0.809 354 L CB 0.221 41.965 42.059 -0.525 0.000 1.155 354 L HN 0.305 nan 8.230 nan 0.000 0.473 355 G N 0.502 109.236 108.800 -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 0.383 175.291 174.900 0.013 0.000 1.042 355 G CA 0.373 45.433 45.100 -0.067 0.000 0.791 355 G HN 0.537 nan 8.290 nan 0.000 0.502 356 S N -0.548 115.174 115.700 0.038 0.000 2.855 356 S HA 0.587 5.056 4.470 -0.001 0.000 0.249 356 S C 1.454 175.976 174.600 -0.130 0.000 1.033 356 S CA 1.027 59.239 58.200 0.020 0.000 1.038 356 S CB 0.674 63.965 63.200 0.152 0.000 0.960 356 S HN 2.187 nan 8.310 nan 0.000 0.548 357 A N 1.510 124.289 122.820 -0.067 0.000 2.861 357 A HA -0.214 4.105 4.320 -0.001 0.000 0.261 357 A C 0.331 177.861 177.584 -0.089 0.000 1.351 357 A CA 0.883 52.879 52.037 -0.068 0.000 0.904 357 A CB -2.280 16.674 19.000 -0.077 0.000 1.076 357 A HN 0.674 nan 8.150 nan 0.000 0.729 358 H N 0.095 119.160 119.070 -0.008 0.000 2.745 358 H HA 0.298 4.853 4.556 -0.001 0.000 0.373 358 H C 0.944 176.293 175.328 0.034 0.000 1.226 358 H CA 0.854 56.911 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 -0.872 119.039 119.800 0.186 0.000 2.180 359 Q HA 0.414 4.754 4.340 -0.001 0.000 0.241 359 Q C 0.582 176.644 176.000 0.103 0.000 0.970 359 Q CA -0.291 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 -0.196 3.764 3.960 -0.001 0.000 0.170 360 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.170 360 G C 0.221 175.097 174.900 -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 0.266 119.547 119.300 -0.033 0.000 2.827 361 C HA 0.557 5.016 4.460 -0.001 0.000 0.287 361 C C 1.610 176.424 174.990 -0.294 0.000 1.497 361 C CA -0.344 58.617 59.018 -0.095 0.000 2.161 361 C CB -0.328 27.387 27.740 -0.042 0.000 2.120 361 C HN 0.493 nan 8.230 nan 0.000 0.676 362 L N 2.151 123.223 121.223 -0.252 0.000 2.380 362 L HA 0.260 4.599 4.340 -0.001 0.000 0.273 362 L C -2.115 174.721 176.870 -0.057 0.000 1.138 362 L CA -1.238 53.395 54.840 -0.344 0.000 0.832 362 L CB 0.027 41.987 42.059 -0.165 0.000 1.124 362 L HN 0.391 nan 8.230 nan 0.000 0.454 363 P HA 0.038 nan 4.420 nan 0.000 0.265 363 P C -2.062 175.337 177.300 0.165 0.000 1.193 363 P CA -0.903 62.284 63.100 0.145 0.000 0.765 363 P CB 0.208 32.027 31.700 0.198 0.000 0.823 364 P HA -0.140 nan 4.420 nan 0.000 0.215 364 P C 0.256 177.537 177.300 -0.032 0.000 1.157 364 P CA 1.161 64.324 63.100 0.105 0.000 0.868 364 P CB -0.046 31.591 31.700 -0.106 0.000 0.788 365 F N 0.110 119.863 119.950 -0.327 0.000 2.420 365 F HA 0.246 4.773 4.527 -0.001 0.000 0.352 365 F C -1.629 174.124 175.800 -0.078 0.000 1.108 365 F CA -2.865 54.891 58.000 -0.406 0.000 1.162 365 F CB 0.791 39.482 39.000 -0.515 0.000 1.118 365 F HN -0.092 nan 8.300 nan 0.000 0.510 366 P HA -0.157 nan 4.420 nan 0.000 0.218 366 P C 1.024 178.291 177.300 -0.054 0.000 1.148 366 P CA 1.922 64.918 63.100 -0.174 0.000 0.822 366 P CB 0.062 31.652 31.700 -0.182 0.000 0.784 367 A N -1.141 121.488 122.820 -0.318 0.000 2.119 367 A HA -0.057 4.262 4.320 -0.001 0.000 0.217 367 A C 0.758 178.447 177.584 0.176 0.000 1.153 367 A CA 0.770 52.797 52.037 -0.017 0.000 0.692 367 A CB -1.011 18.038 19.000 0.081 0.000 0.799 367 A HN 0.111 nan 8.150 nan 0.000 0.458 368 D N -0.417 120.135 120.400 0.254 0.000 2.345 368 D HA 0.416 5.056 4.640 -0.001 0.000 0.247 368 D C -0.206 176.250 176.300 0.260 0.000 1.108 368 D CA 0.163 54.320 54.000 0.262 0.000 0.894 368 D CB 1.395 42.365 40.800 0.283 0.000 1.203 368 D HN -0.015 nan 8.370 nan 0.000 0.430 369 V N 2.508 122.554 119.914 0.220 0.000 2.612 369 V HA 0.560 4.680 4.120 -0.001 0.000 0.301 369 V C -0.130 176.127 176.094 0.272 0.000 1.046 369 V CA -0.743 61.681 62.300 0.208 0.000 0.946 369 V CB 0.955 32.827 31.823 0.082 0.000 1.003 369 V HN 0.446 nan 8.190 nan 0.000 0.459 370 F N 1.929 121.964 119.950 0.141 0.000 2.593 370 F HA 0.787 5.314 4.527 -0.001 0.000 0.320 370 F C -0.529 175.350 175.800 0.132 0.000 1.060 370 F CA -1.331 56.748 58.000 0.133 0.000 0.940 370 F CB 1.989 41.079 39.000 0.149 0.000 1.268 370 F HN 0.475 nan 8.300 nan 0.000 0.475 371 M N 3.555 123.253 119.600 0.164 0.000 2.209 371 M HA 0.507 4.986 4.480 -0.001 0.000 0.355 371 M C -1.337 175.046 176.300 0.139 0.000 1.171 371 M CA -0.849 54.483 55.300 0.054 0.000 1.069 371 M CB 1.458 34.102 32.600 0.074 0.000 1.622 371 M HN 0.620 nan 8.290 nan 0.000 0.459 372 V N 8.282 128.197 119.914 0.001 0.000 2.439 372 V HA 0.192 4.312 4.120 -0.001 0.000 0.271 372 V C -1.995 174.026 176.094 -0.122 0.000 1.040 372 V CA -1.158 61.085 62.300 -0.095 0.000 1.002 372 V CB 0.151 31.766 31.823 -0.347 0.000 1.000 372 V HN 0.762 nan 8.190 nan 0.000 0.477 373 P HA 0.066 nan 4.420 nan 0.000 0.271 373 P C -0.567 176.335 177.300 -0.662 0.000 1.238 373 P CA -0.165 62.650 63.100 -0.476 0.000 0.794 373 P CB 0.482 31.713 31.700 -0.783 0.000 0.959 374 Q N 0.221 119.637 119.800 -0.640 0.000 2.266 374 Q HA 0.286 4.625 4.340 -0.001 0.000 0.261 374 Q C -1.408 174.598 176.000 0.009 0.000 0.985 374 Q CA -0.827 54.551 55.803 -0.707 0.000 0.873 374 Q CB 0.680 28.701 28.738 -1.195 0.000 1.306 374 Q HN 0.361 nan 8.270 nan 0.000 0.447 375 Y N 1.363 121.673 120.300 0.017 0.000 2.336 375 Y HA 0.553 5.103 4.550 -0.001 0.000 0.335 375 Y C -0.290 175.651 175.900 0.069 0.000 1.046 375 Y CA 0.255 58.406 58.100 0.086 0.000 1.198 375 Y CB 1.150 39.662 38.460 0.087 0.000 1.182 375 Y HN 0.625 nan 8.280 nan 0.000 0.502 376 G N 5.809 114.309 108.800 -0.501 0.000 2.731 376 G HA2 0.491 4.451 3.960 -0.001 0.000 0.298 376 G HA3 0.491 4.451 3.960 -0.001 0.000 0.298 376 G C -2.243 172.405 174.900 -0.419 0.000 1.424 376 G CA -0.802 44.091 45.100 -0.344 0.000 1.029 376 G HN 0.741 nan 8.290 nan 0.000 0.518 377 Y N -0.110 120.007 120.300 -0.306 0.000 2.605 377 Y HA 0.839 5.388 4.550 -0.001 0.000 0.343 377 Y C -0.925 175.001 175.900 0.043 0.000 1.036 377 Y CA -1.636 56.363 58.100 -0.169 0.000 1.065 377 Y CB 1.589 39.991 38.460 -0.097 0.000 1.288 377 Y HN 0.459 nan 8.280 nan 0.000 0.481 378 L N 1.395 122.736 121.223 0.197 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 0.187 0.000 0.813 378 L CB 2.479 44.642 42.059 0.173 0.000 1.315 378 L HN 0.938 nan 8.230 nan 0.000 0.445 379 T N 0.006 114.744 114.554 0.307 0.000 2.812 379 T HA 0.356 4.706 4.350 -0.001 0.000 0.294 379 T C -1.043 173.823 174.700 0.277 0.000 1.159 379 T CA -0.715 61.590 62.100 0.341 0.000 1.008 379 T CB 1.603 70.725 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 4.693 4.340 -0.001 0.000 0.276 380 L C -0.088 176.864 176.870 0.138 0.000 1.212 380 L CA 0.388 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 1.699 120.462 118.700 0.105 0.000 2.329 381 N HA 0.336 5.076 4.740 -0.001 0.000 0.282 381 N C -1.272 174.241 175.510 0.005 0.000 1.198 381 N CA -0.803 52.273 53.050 0.043 0.000 0.790 381 N CB 0.952 39.510 38.487 0.117 0.000 1.579 381 N HN 0.422 nan 8.380 nan 0.000 0.475 382 N N 0.829 119.491 118.700 -0.065 0.000 3.044 382 N HA 0.392 5.132 4.740 -0.001 0.000 0.254 382 N C 0.552 175.983 175.510 -0.131 0.000 1.253 382 N CA 0.875 53.882 53.050 -0.072 0.000 0.944 382 N CB -0.226 38.214 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 0.827 175.507 174.900 -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 4.757 4.470 -0.001 0.000 0.224 384 S C 1.106 175.630 174.600 -0.128 0.000 0.996 384 S CA 1.459 59.581 58.200 -0.130 0.000 0.927 384 S CB 0.163 63.330 63.200 -0.056 0.000 0.774 384 S HN 0.769 nan 8.310 nan 0.000 0.524 385 Q N 0.493 120.171 119.800 -0.202 0.000 2.185 385 Q HA 0.749 5.088 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 -0.511 55.118 55.803 -0.290 0.000 0.950 385 Q CB 1.323 29.929 28.738 -0.220 0.000 1.176 385 Q HN 0.473 nan 8.270 nan 0.000 0.510 386 A N 0.306 122.766 122.820 -0.599 0.000 2.350 386 A HA 0.693 5.013 4.320 -0.001 0.000 0.318 386 A C -0.788 176.625 177.584 -0.284 0.000 1.132 386 A CA -0.619 51.077 52.037 -0.568 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 0.072 119.894 119.914 -0.154 0.000 3.109 387 V HA 0.494 4.614 4.120 -0.001 0.000 0.317 387 V C 1.752 177.814 176.094 -0.055 0.000 1.074 387 V CA 0.300 62.552 62.300 -0.080 0.000 1.033 387 V CB 1.313 33.120 31.823 -0.028 0.000 1.111 387 V HN 1.163 nan 8.190 nan 0.000 0.458 388 G N 0.320 109.101 108.800 -0.033 0.000 2.471 388 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.219 388 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.219 388 G C 1.262 176.168 174.900 0.011 0.000 1.125 388 G CA 0.164 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 0.512 121.025 120.500 0.020 0.000 2.310 389 R HA 0.188 4.528 4.340 -0.001 0.000 0.202 389 R C 0.594 176.934 176.300 0.066 0.000 0.933 389 R CA -0.178 55.947 56.100 0.041 0.000 1.054 389 R CB 0.164 30.490 30.300 0.044 0.000 0.985 389 R HN 0.182 nan 8.270 nan 0.000 0.489 390 S N 0.388 116.132 115.700 0.074 0.000 2.589 390 S HA 0.149 4.619 4.470 -0.001 0.000 0.265 390 S C 0.174 174.846 174.600 0.120 0.000 1.342 390 S CA -0.042 58.238 58.200 0.134 0.000 1.005 390 S CB 1.289 64.594 63.200 0.175 0.000 0.909 390 S HN 0.048 nan 8.310 nan 0.000 0.555 391 S N 1.202 116.980 115.700 0.129 0.000 2.532 391 S HA 0.538 5.008 4.470 -0.001 0.000 0.299 391 S C -1.181 173.322 174.600 -0.163 0.000 1.105 391 S CA -0.575 57.566 58.200 -0.098 0.000 1.018 391 S CB 0.872 63.934 63.200 -0.231 0.000 1.021 391 S HN 0.526 nan 8.310 nan 0.000 0.483 392 F N 3.879 123.565 119.950 -0.440 0.000 2.427 392 F HA 0.620 5.146 4.527 -0.001 0.000 0.346 392 F C -1.536 173.940 175.800 -0.538 0.000 1.120 392 F CA -1.253 56.461 58.000 -0.477 0.000 1.033 392 F CB 0.450 39.190 39.000 -0.432 0.000 1.126 392 F HN 0.548 nan 8.300 nan 0.000 0.462 393 Y N 5.221 125.184 120.300 -0.561 0.000 2.341 393 Y HA 0.457 5.007 4.550 -0.001 0.000 0.338 393 Y C -0.284 175.142 175.900 -0.790 0.000 0.965 393 Y CA -0.953 56.799 58.100 -0.580 0.000 1.108 393 Y CB 1.672 39.877 38.460 -0.425 0.000 1.180 393 Y HN 0.721 nan 8.280 nan 0.000 0.458 394 C N 5.956 124.955 119.300 -0.503 0.000 2.281 394 C HA 0.406 4.866 4.460 -0.001 0.000 0.323 394 C C 0.825 175.825 174.990 0.018 0.000 1.270 394 C CA -0.731 58.005 59.018 -0.471 0.000 1.559 394 C CB -0.973 26.466 27.740 -0.500 0.000 2.239 394 C HN 0.976 nan 8.230 nan 0.000 0.488 395 L N 4.386 125.687 121.223 0.130 0.000 2.622 395 L HA 0.096 4.436 4.340 -0.001 0.000 0.233 395 L C 2.231 179.139 176.870 0.062 0.000 1.156 395 L CA 1.301 56.100 54.840 -0.068 0.000 0.866 395 L CB -0.466 41.179 42.059 -0.690 0.000 0.980 395 L HN 0.688 nan 8.230 nan 0.000 0.448 396 E N -1.640 118.750 120.200 0.317 0.000 2.371 396 E HA -0.134 4.215 4.350 -0.001 0.000 0.194 396 E C 1.348 178.043 176.600 0.159 0.000 1.012 396 E CA 0.518 57.110 56.400 0.319 0.000 0.860 396 E CB -0.090 29.827 29.700 0.362 0.000 0.811 396 E HN 0.548 nan 8.360 nan 0.000 0.502 397 Y N -0.074 120.218 120.300 -0.013 0.000 2.477 397 Y HA 0.079 4.629 4.550 -0.001 0.000 0.303 397 Y C -0.299 175.389 175.900 -0.353 0.000 1.202 397 Y CA -0.137 57.869 58.100 -0.157 0.000 1.282 397 Y CB -0.032 38.308 38.460 -0.199 0.000 1.071 397 Y HN -0.229 nan 8.280 nan 0.000 0.510 398 F N 1.336 121.031 119.950 -0.426 0.000 2.436 398 F HA 0.413 4.940 4.527 -0.001 0.000 0.340 398 F C -2.058 173.375 175.800 -0.612 0.000 1.113 398 F CA -3.118 54.473 58.000 -0.682 0.000 1.022 398 F CB 0.753 38.958 39.000 -1.326 0.000 1.128 398 F HN -0.070 nan 8.300 nan 0.000 0.466 399 P HA 0.122 nan 4.420 nan 0.000 0.262 399 P C -0.974 176.249 177.300 -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 1.837 117.525 115.700 -0.019 0.000 2.548 400 S HA 0.397 4.867 4.470 -0.001 0.000 0.286 400 S C -0.810 173.887 174.600 0.162 0.000 1.098 400 S CA -0.992 57.290 58.200 0.137 0.000 0.930 400 S CB 1.682 65.046 63.200 0.274 0.000 1.070 400 S HN 0.431 nan 8.310 nan 0.000 0.480 401 Q N 1.965 121.891 119.800 0.210 0.000 2.294 401 Q HA 0.412 4.752 4.340 -0.001 0.000 0.257 401 Q C -1.003 175.101 176.000 0.172 0.000 0.955 401 Q CA -0.266 55.655 55.803 0.197 0.000 0.936 401 Q CB 0.580 29.489 28.738 0.286 0.000 1.188 401 Q HN 0.747 nan 8.270 nan 0.000 0.420 402 M N 4.303 123.983 119.600 0.133 0.000 2.209 402 M HA 0.339 4.818 4.480 -0.001 0.000 0.355 402 M C -1.180 175.185 176.300 0.108 0.000 1.171 402 M CA -0.676 54.688 55.300 0.107 0.000 1.069 402 M CB 0.979 33.624 32.600 0.076 0.000 1.622 402 M HN 0.445 nan 8.290 nan 0.000 0.459 403 L N 2.656 123.942 121.223 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 1.760 43.911 42.059 0.154 0.000 1.270 403 L HN 0.596 nan 8.230 nan 0.000 0.415 404 R N -0.098 120.449 120.500 0.079 0.000 2.606 404 R HA 0.650 4.990 4.340 -0.001 0.000 0.249 404 R C -0.524 175.817 176.300 0.069 0.000 1.127 404 R CA -0.537 55.599 56.100 0.060 0.000 1.133 404 R CB 1.019 31.347 30.300 0.046 0.000 1.243 404 R HN 0.639 nan 8.270 nan 0.000 0.558 405 T N 0.815 115.399 114.554 0.050 0.000 2.784 405 T HA 0.336 4.685 4.350 -0.001 0.000 0.291 405 T C 0.787 175.522 174.700 0.058 0.000 0.942 405 T CA 0.952 63.082 62.100 0.051 0.000 1.161 405 T CB 0.524 69.407 68.868 0.026 0.000 0.885 405 T HN 0.785 nan 8.240 nan 0.000 0.534 406 G N 3.554 112.401 108.800 0.079 0.000 2.211 406 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.201 406 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.201 406 G C 0.018 174.975 174.900 0.094 0.000 0.997 406 G CA -0.793 44.354 45.100 0.079 0.000 0.652 406 G HN 0.601 nan 8.290 nan 0.000 0.500 407 N N 1.654 120.419 118.700 0.109 0.000 2.508 407 N HA 0.598 5.338 4.740 -0.001 0.000 0.285 407 N C -0.135 175.480 175.510 0.175 0.000 1.144 407 N CA -0.122 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 -0.344 118.467 118.700 0.186 0.000 2.455 408 N HA 0.439 5.179 4.740 -0.001 0.000 0.278 408 N C -1.759 173.922 175.510 0.285 0.000 1.291 408 N CA -0.583 52.614 53.050 0.245 0.000 0.780 408 N CB 1.328 39.941 38.487 0.211 0.000 1.520 408 N HN 0.359 nan 8.380 nan 0.000 0.486 409 F N -0.012 120.031 119.950 0.156 0.000 2.520 409 F HA 0.532 5.058 4.527 -0.000 0.000 0.322 409 F C -0.689 175.212 175.800 0.167 0.000 1.103 409 F CA -0.455 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 5.111 124.543 119.800 -0.613 0.000 2.375 410 Q HA 0.613 4.952 4.340 -0.001 0.000 0.271 410 Q C -2.097 173.674 176.000 -0.381 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 0.680 nan 8.270 nan 0.000 0.441 411 F N 1.049 120.868 119.950 -0.218 0.000 2.622 411 F HA 0.599 5.126 4.527 -0.001 0.000 0.318 411 F C -1.528 174.263 175.800 -0.016 0.000 1.135 411 F CA -0.252 57.678 58.000 -0.116 0.000 1.015 411 F CB 1.681 40.685 39.000 0.005 0.000 1.275 411 F HN 0.484 nan 8.300 nan 0.000 0.457 412 S N 5.175 120.368 115.700 -0.845 0.000 2.500 412 S HA 0.561 5.030 4.470 -0.001 0.000 0.301 412 S C -1.892 172.187 174.600 -0.869 0.000 1.092 412 S CA -0.555 57.245 58.200 -0.668 0.000 1.030 412 S CB 1.666 64.643 63.200 -0.371 0.000 1.031 412 S HN 0.623 nan 8.310 nan 0.000 0.483 413 Y N 1.351 121.223 120.300 -0.714 0.000 2.545 413 Y HA 0.638 5.188 4.550 -0.001 0.000 0.348 413 Y C -0.958 174.674 175.900 -0.447 0.000 1.002 413 Y CA -0.470 57.277 58.100 -0.589 0.000 1.039 413 Y CB 1.801 39.957 38.460 -0.508 0.000 1.271 413 Y HN 0.522 nan 8.280 nan 0.000 0.467 414 T N 6.307 120.085 114.554 -1.292 0.000 2.864 414 T HA 0.380 4.730 4.350 -0.001 0.000 0.299 414 T C -0.877 173.108 174.700 -1.192 0.000 1.011 414 T CA -0.432 61.097 62.100 -0.952 0.000 0.975 414 T CB -0.086 68.473 68.868 -0.516 0.000 0.962 414 T HN 0.453 nan 8.240 nan 0.000 0.448 415 F N 2.973 122.470 119.950 -0.756 0.000 2.595 415 F HA 0.137 4.664 4.527 -0.001 0.000 0.359 415 F C 1.627 177.238 175.800 -0.315 0.000 1.147 415 F CA -0.198 57.544 58.000 -0.429 0.000 1.341 415 F CB 0.603 39.436 39.000 -0.278 0.000 1.104 415 F HN 0.563 nan 8.300 nan 0.000 0.603 416 E N 0.656 120.867 120.200 0.017 0.000 2.622 416 E HA 0.175 4.525 4.350 -0.001 0.000 0.255 416 E C -1.186 175.396 176.600 -0.031 0.000 1.313 416 E CA -0.980 55.410 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 0.476 120.853 120.400 -0.038 0.000 2.358 417 D HA 0.226 4.865 4.640 -0.001 0.000 0.258 417 D C -1.136 175.134 176.300 -0.049 0.000 1.223 417 D CA 0.123 54.090 54.000 -0.055 0.000 0.886 417 D CB 1.194 41.975 40.800 -0.032 0.000 1.120 417 D HN 0.230 nan 8.370 nan 0.000 0.482 418 V N 4.565 124.420 119.914 -0.099 0.000 2.668 418 V HA 0.396 4.516 4.120 -0.001 0.000 0.304 418 V C -2.560 173.500 176.094 -0.058 0.000 1.071 418 V CA -2.217 60.053 62.300 -0.050 0.000 0.894 418 V CB 2.154 33.960 31.823 -0.028 0.000 1.008 418 V HN 0.341 nan 8.190 nan 0.000 0.425 419 P HA 0.076 nan 4.420 nan 0.000 0.263 419 P C -0.437 176.995 177.300 0.219 0.000 1.175 419 P CA 0.397 63.580 63.100 0.137 0.000 0.761 419 P CB 0.008 31.791 31.700 0.138 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 1.751 177.665 175.800 0.191 0.000 1.148 420 F CA 0.655 58.766 58.000 0.184 0.000 1.352 420 F CB -0.094 38.990 39.000 0.139 0.000 1.081 420 F HN 0.430 nan 8.300 nan 0.000 0.605 421 H N 0.649 119.824 119.070 0.175 0.000 2.607 421 H HA 0.259 4.814 4.556 -0.001 0.000 0.367 421 H C -0.380 174.953 175.328 0.008 0.000 1.181 421 H CA -0.555 55.442 56.048 -0.086 0.000 1.402 421 H CB 0.760 30.230 29.762 -0.487 0.000 1.474 421 H HN 0.450 nan 8.280 nan 0.000 0.596 422 S N 2.757 117.845 115.700 -1.019 0.000 2.701 422 S HA 0.065 4.534 4.470 -0.001 0.000 0.317 422 S C 0.201 174.383 174.600 -0.697 0.000 1.149 422 S CA -0.365 57.350 58.200 -0.808 0.000 1.052 422 S CB 0.051 62.630 63.200 -1.034 0.000 1.257 422 S HN 0.596 nan 8.310 nan 0.000 0.532 423 S N 2.735 118.372 115.700 -0.105 0.000 2.763 423 S HA 0.202 4.672 4.470 -0.001 0.000 0.237 423 S C -0.065 174.593 174.600 0.097 0.000 0.966 423 S CA -0.445 57.812 58.200 0.095 0.000 1.017 423 S CB -0.591 62.785 63.200 0.294 0.000 0.780 423 S HN 0.803 nan 8.310 nan 0.000 0.476 424 Y N -1.583 118.599 120.300 -0.198 0.000 2.638 424 Y HA 0.886 5.435 4.550 -0.001 0.000 0.339 424 Y C -0.768 174.916 175.900 -0.361 0.000 1.084 424 Y CA -1.944 55.966 58.100 -0.317 0.000 1.068 424 Y CB 0.780 38.836 38.460 -0.675 0.000 1.294 424 Y HN -0.066 nan 8.280 nan 0.000 0.480 425 A N 1.250 123.936 122.820 -0.223 0.000 2.422 425 A HA 0.523 4.843 4.320 -0.001 0.000 0.302 425 A C -1.543 175.927 177.584 -0.190 0.000 1.041 425 A CA -0.909 50.958 52.037 -0.284 0.000 0.708 425 A CB 0.707 19.617 19.000 -0.150 0.000 1.257 425 A HN 0.862 nan 8.150 nan 0.000 0.414 426 H N 1.987 121.054 119.070 -0.005 0.000 2.803 426 H HA 0.126 4.682 4.556 -0.001 0.000 0.330 426 H C 1.253 176.576 175.328 -0.008 0.000 1.057 426 H CA 0.923 56.972 56.048 0.002 0.000 1.458 426 H CB 1.184 30.941 29.762 -0.009 0.000 1.470 426 H HN 0.776 nan 8.280 nan 0.000 0.560 427 S N 2.032 117.794 115.700 0.103 0.000 2.528 427 S HA 0.027 4.496 4.470 -0.001 0.000 0.219 427 S C 0.677 175.314 174.600 0.062 0.000 0.985 427 S CA -0.091 58.150 58.200 0.069 0.000 0.914 427 S CB 0.558 63.794 63.200 0.060 0.000 0.776 427 S HN 0.571 nan 8.310 nan 0.000 0.526 428 Q N 0.656 120.497 119.800 0.068 0.000 2.252 428 Q HA 0.657 4.996 4.340 -0.001 0.000 0.256 428 Q C -0.857 175.151 176.000 0.014 0.000 1.020 428 Q CA -0.628 55.193 55.803 0.031 0.000 0.913 428 Q CB 1.856 30.600 28.738 0.011 0.000 1.286 428 Q HN 0.305 nan 8.270 nan 0.000 0.480 429 S N -0.464 115.232 115.700 -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 0.894 64.088 63.200 -0.009 0.000 1.107 429 S HN 0.695 nan 8.310 nan 0.000 0.503 430 L N 1.452 122.654 121.223 -0.034 0.000 2.017 430 L HA -0.077 4.263 4.340 -0.001 0.000 0.208 430 L C 2.019 178.901 176.870 0.020 0.000 1.073 430 L CA 1.888 56.724 54.840 -0.006 0.000 0.745 430 L CB -0.343 41.721 42.059 0.007 0.000 0.894 430 L HN 0.827 nan 8.230 nan 0.000 0.432 431 D N -1.167 119.233 120.400 -0.000 0.000 2.289 431 D HA -0.123 4.517 4.640 -0.001 0.000 0.207 431 D C 0.948 177.241 176.300 -0.012 0.000 0.966 431 D CA 0.385 54.379 54.000 -0.009 0.000 0.868 431 D CB -0.066 40.718 40.800 -0.027 0.000 0.943 431 D HN 0.167 nan 8.370 nan 0.000 0.514 432 R N 0.979 121.474 120.500 -0.009 0.000 3.863 432 R HA 0.229 4.569 4.340 -0.001 0.000 0.304 432 R C 0.728 177.027 176.300 -0.001 0.000 1.485 432 R CA -0.258 55.838 56.100 -0.008 0.000 1.355 432 R CB 0.342 30.638 30.300 -0.006 0.000 1.457 432 R HN 0.215 nan 8.270 nan 0.000 0.669 433 L N 0.412 121.638 121.223 0.006 0.000 2.575 433 L HA 0.197 4.537 4.340 -0.001 0.000 0.228 433 L C 0.437 177.316 176.870 0.015 0.000 1.075 433 L CA 0.760 55.609 54.840 0.016 0.000 0.867 433 L CB 0.157 42.242 42.059 0.044 0.000 1.097 433 L HN 0.158 nan 8.230 nan 0.000 0.485 434 M N -0.719 118.882 119.600 0.002 0.000 1.801 434 M HA 0.216 4.696 4.480 -0.001 0.000 0.198 434 M C 0.444 176.738 176.300 -0.010 0.000 1.248 434 M CA -0.058 55.237 55.300 -0.009 0.000 0.893 434 M CB -0.817 31.764 32.600 -0.032 0.000 1.199 434 M HN -0.135 nan 8.290 nan 0.000 0.482 435 N N 0.479 119.169 118.700 -0.017 0.000 2.422 435 N HA 0.347 5.087 4.740 -0.001 0.000 0.266 435 N C -2.212 173.289 175.510 -0.015 0.000 1.007 435 N CA -1.678 51.365 53.050 -0.012 0.000 0.941 435 N CB 1.053 39.534 38.487 -0.009 0.000 1.115 435 N HN 0.325 nan 8.380 nan 0.000 0.492 436 P HA -0.011 nan 4.420 nan 0.000 0.225 436 P C 0.901 178.196 177.300 -0.009 0.000 1.148 436 P CA 0.644 63.737 63.100 -0.010 0.000 0.779 436 P CB 0.552 32.249 31.700 -0.006 0.000 0.780 437 L N -2.040 119.178 121.223 -0.007 0.000 2.316 437 L HA 0.126 4.466 4.340 -0.001 0.000 0.207 437 L C 1.084 177.952 176.870 -0.004 0.000 1.070 437 L CA 0.756 55.594 54.840 -0.005 0.000 0.820 437 L CB -0.422 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 -0.832 60.465 61.300 -0.006 0.000 1.189 438 I CB 1.007 39.008 38.000 0.001 0.000 1.355 438 I HN -0.019 nan 8.210 nan 0.000 0.476 439 D N 2.942 123.331 120.400 -0.018 0.000 2.253 439 D HA 0.359 4.999 4.640 -0.001 0.000 0.249 439 D C 0.059 176.318 176.300 -0.068 0.000 1.049 439 D CA -0.403 53.573 54.000 -0.039 0.000 0.929 439 D CB 0.771 41.553 40.800 -0.030 0.000 1.176 439 D HN 0.338 nan 8.370 nan 0.000 0.437 440 Q N 0.250 119.978 119.800 -0.120 0.000 2.417 440 Q HA 0.137 4.477 4.340 -0.001 0.000 0.241 440 Q C 0.175 176.066 176.000 -0.181 0.000 1.008 440 Q CA -0.237 55.431 55.803 -0.225 0.000 0.901 440 Q CB 0.638 29.227 28.738 -0.248 0.000 1.259 440 Q HN 0.676 nan 8.270 nan 0.000 0.489 441 Y N -0.840 119.426 120.300 -0.057 0.000 2.457 441 Y HA 0.367 4.917 4.550 -0.001 0.000 0.263 441 Y C -0.062 175.820 175.900 -0.031 0.000 1.164 441 Y CA -0.494 57.580 58.100 -0.044 0.000 1.274 441 Y CB 0.296 38.761 38.460 0.010 0.000 1.097 441 Y HN 0.249 nan 8.280 nan 0.000 0.523 442 L N 0.909 122.098 121.223 -0.056 0.000 2.399 442 L HA 0.369 4.709 4.340 -0.001 0.000 0.265 442 L C -1.020 175.828 176.870 -0.036 0.000 1.089 442 L CA -0.943 53.935 54.840 0.063 0.000 0.802 442 L CB 0.933 42.982 42.059 -0.017 0.000 1.180 442 L HN 0.095 nan 8.230 nan 0.000 0.454 443 Y N 0.508 120.869 120.300 0.101 0.000 2.429 443 Y HA 0.460 5.010 4.550 -0.001 0.000 0.342 443 Y C -0.410 175.597 175.900 0.178 0.000 1.004 443 Y CA -0.572 57.584 58.100 0.093 0.000 1.075 443 Y CB 1.789 40.237 38.460 -0.021 0.000 1.214 443 Y HN 0.383 nan 8.280 nan 0.000 0.455 444 Y N 0.381 120.828 120.300 0.246 0.000 2.605 444 Y HA 0.735 5.285 4.550 -0.001 0.000 0.343 444 Y C -1.702 174.402 175.900 0.339 0.000 1.036 444 Y CA -1.753 56.481 58.100 0.224 0.000 1.065 444 Y CB 1.162 39.684 38.460 0.103 0.000 1.288 444 Y HN 0.545 nan 8.280 nan 0.000 0.481 445 L N 2.884 124.315 121.223 0.347 0.000 2.276 445 L HA 0.404 4.744 4.340 -0.001 0.000 0.286 445 L C 0.006 176.928 176.870 0.087 0.000 1.061 445 L CA -0.166 54.740 54.840 0.109 0.000 0.807 445 L CB 0.882 42.979 42.059 0.063 0.000 1.177 445 L HN 1.070 nan 8.230 nan 0.000 0.429 446 N N 2.185 120.852 118.700 -0.054 0.000 2.145 446 N HA 0.174 4.913 4.740 -0.001 0.000 0.219 446 N C -0.488 175.008 175.510 -0.025 0.000 1.266 446 N CA -0.648 52.431 53.050 0.048 0.000 0.902 446 N CB 0.642 39.203 38.487 0.124 0.000 1.078 446 N HN 0.312 nan 8.380 nan 0.000 0.513 447 R N 0.966 121.399 120.500 -0.111 0.000 2.502 447 R HA 0.263 4.602 4.340 -0.001 0.000 0.300 447 R C -0.004 176.207 176.300 -0.148 0.000 0.984 447 R CA -0.311 55.725 56.100 -0.107 0.000 0.882 447 R CB 1.479 31.717 30.300 -0.103 0.000 1.180 447 R HN 0.269 nan 8.270 nan 0.000 0.444 448 T N -1.787 112.708 114.554 -0.098 0.000 3.034 448 T HA -0.044 4.305 4.350 -0.001 0.000 0.248 448 T C 1.221 175.875 174.700 -0.076 0.000 1.040 448 T CA 0.486 62.528 62.100 -0.096 0.000 1.107 448 T CB 0.406 69.237 68.868 -0.060 0.000 0.932 448 T HN 0.586 nan 8.240 nan 0.000 0.474 449 Q N 0.969 120.734 119.800 -0.059 0.000 2.534 449 Q HA 0.371 4.711 4.340 -0.001 0.000 0.207 449 Q C 1.598 177.573 176.000 -0.041 0.000 0.735 449 Q CA -0.013 55.763 55.803 -0.045 0.000 0.904 449 Q CB -0.567 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 2.268 111.046 108.800 -0.036 0.000 2.198 450 G HA2 0.195 4.155 3.960 -0.001 0.000 0.280 450 G HA3 0.195 4.155 3.960 -0.001 0.000 0.280 450 G C -0.308 174.573 174.900 -0.032 0.000 0.954 450 G CA 0.767 45.850 45.100 -0.029 0.000 1.281 450 G HN 0.363 nan 8.290 nan 0.000 0.373 451 T N 0.952 115.489 114.554 -0.028 0.000 2.849 451 T HA 0.307 4.657 4.350 -0.001 0.000 0.272 451 T C 1.027 175.716 174.700 -0.019 0.000 1.046 451 T CA -0.525 61.559 62.100 -0.027 0.000 0.983 451 T CB 0.542 69.394 68.868 -0.028 0.000 1.721 451 T HN 0.164 nan 8.240 nan 0.000 0.594 452 T N 2.729 117.273 114.554 -0.016 0.000 4.216 452 T HA 0.105 4.455 4.350 -0.001 0.000 0.221 452 T C 0.458 175.152 174.700 -0.011 0.000 0.939 452 T CA 0.129 62.222 62.100 -0.011 0.000 1.218 452 T CB -0.790 68.073 68.868 -0.009 0.000 1.266 452 T HN 0.495 nan 8.240 nan 0.000 0.917 453 S N 1.944 117.638 115.700 -0.011 0.000 2.429 453 S HA 0.482 4.952 4.470 -0.001 0.000 0.292 453 S C 1.147 175.742 174.600 -0.008 0.000 1.183 453 S CA 0.180 58.374 58.200 -0.010 0.000 1.088 453 S CB -0.125 63.068 63.200 -0.011 0.000 1.018 453 S HN 0.843 nan 8.310 nan 0.000 0.511 454 G N 3.582 112.377 108.800 -0.008 0.000 4.170 454 G HA2 0.161 4.120 3.960 -0.001 0.000 0.143 454 G HA3 0.161 4.120 3.960 -0.001 0.000 0.143 454 G C -0.295 174.601 174.900 -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 2.285 116.835 114.554 -0.006 0.000 2.794 455 T HA 0.498 4.848 4.350 -0.001 0.000 0.280 455 T C 0.347 175.043 174.700 -0.007 0.000 0.987 455 T CA 0.612 62.708 62.100 -0.006 0.000 0.993 455 T CB 1.347 70.212 68.868 -0.005 0.000 0.939 455 T HN 0.609 nan 8.240 nan 0.000 0.449 456 T N 3.653 118.203 114.554 -0.007 0.000 3.760 456 T HA -0.171 4.179 4.350 -0.001 0.000 0.366 456 T C 0.148 174.842 174.700 -0.009 0.000 0.761 456 T CA 0.547 62.643 62.100 -0.007 0.000 1.887 456 T CB -1.211 67.653 68.868 -0.006 0.000 1.811 456 T HN 0.621 nan 8.240 nan 0.000 0.749 457 N N 1.619 120.313 118.700 -0.010 0.000 2.841 457 N HA 0.117 4.857 4.740 -0.001 0.000 0.257 457 N C 1.413 176.914 175.510 -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 0.284 120.075 119.800 -0.015 0.000 1.984 458 Q HA 0.031 4.370 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 0.923 56.717 55.803 -0.015 0.000 0.827 458 Q CB -0.199 28.531 28.738 -0.013 0.000 0.894 458 Q HN 0.320 nan 8.270 nan 0.000 0.438 459 S N -0.843 114.843 115.700 -0.023 0.000 2.550 459 S HA 0.761 5.230 4.470 -0.001 0.000 0.270 459 S C -1.031 173.546 174.600 -0.037 0.000 1.145 459 S CA -1.039 57.142 58.200 -0.031 0.000 0.852 459 S CB 3.071 66.254 63.200 -0.029 0.000 1.119 459 S HN 0.450 nan 8.310 nan 0.000 0.465 460 R N 1.066 121.534 120.500 -0.054 0.000 2.579 460 R HA 0.394 4.733 4.340 -0.001 0.000 0.260 460 R C -1.965 174.266 176.300 -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 5.687 126.828 121.223 -0.137 0.000 2.325 461 L HA 0.392 4.732 4.340 -0.001 0.000 0.284 461 L C -0.467 176.143 176.870 -0.434 0.000 1.089 461 L CA -0.223 54.447 54.840 -0.284 0.000 0.836 461 L CB 0.587 42.524 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 -0.561 0.000 2.385 462 L HA 0.573 4.913 4.340 -0.001 0.000 0.273 462 L C -0.828 175.667 176.870 -0.624 0.000 0.990 462 L CA -0.421 54.145 54.840 -0.457 0.000 0.821 462 L CB 1.918 43.853 42.059 -0.207 0.000 1.279 462 L HN 0.336 nan 8.230 nan 0.000 0.412 463 F N 0.275 120.181 119.950 -0.073 0.000 2.522 463 F HA 0.582 5.109 4.527 -0.001 0.000 0.324 463 F C 0.380 176.122 175.800 -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 41.165 39.000 -0.054 0.000 1.175 463 F HN 0.260 nan 8.300 nan 0.000 0.468 464 S N 0.667 116.274 115.700 -0.156 0.000 2.536 464 S HA 0.321 4.790 4.470 -0.001 0.000 0.298 464 S C -1.024 173.385 174.600 -0.319 0.000 1.083 464 S CA -0.867 57.194 58.200 -0.230 0.000 0.995 464 S CB 1.822 64.787 63.200 -0.391 0.000 1.058 464 S HN 0.638 nan 8.310 nan 0.000 0.488 465 Q N 2.121 121.756 119.800 -0.275 0.000 2.288 465 Q HA 0.543 4.882 4.340 -0.001 0.000 0.258 465 Q C -0.225 175.715 176.000 -0.100 0.000 0.957 465 Q CA -0.711 54.720 55.803 -0.621 0.000 0.919 465 Q CB 0.774 29.081 28.738 -0.718 0.000 1.185 465 Q HN 0.782 nan 8.270 nan 0.000 0.408 466 A N 3.399 126.257 122.820 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 0.777 52.894 52.037 0.134 0.000 0.755 466 A CB 0.090 19.084 19.000 -0.011 0.000 0.980 466 A HN 0.888 nan 8.150 nan 0.000 0.506 467 G N 1.087 109.897 108.800 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 -2.404 172.485 174.900 -0.018 0.000 1.364 467 G CA -1.024 44.072 45.100 -0.007 0.000 0.938 467 G HN 0.302 nan 8.290 nan 0.000 0.490 468 P HA -0.053 nan 4.420 nan 0.000 0.222 468 P C 1.513 178.805 177.300 -0.013 0.000 1.147 468 P CA 1.065 64.154 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 -0.336 119.463 119.800 -0.003 0.000 2.096 469 Q HA -0.017 4.323 4.340 -0.001 0.000 0.197 469 Q C 1.081 177.082 176.000 0.002 0.000 0.964 469 Q CA 1.324 57.129 55.803 0.005 0.000 0.838 469 Q CB -0.470 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 -0.020 115.684 115.700 0.006 0.000 3.983 470 S HA 0.217 4.687 4.470 -0.001 0.000 0.194 470 S C 0.839 175.386 174.600 -0.088 0.000 1.464 470 S CA -0.313 57.874 58.200 -0.023 0.000 1.021 470 S CB 0.146 63.365 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 4.419 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 1.565 56.822 55.300 -0.071 0.000 1.131 471 M CB -0.062 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 -0.734 114.911 115.700 -0.092 0.000 2.679 472 S HA 0.210 4.679 4.470 -0.001 0.000 0.233 472 S C 0.888 175.401 174.600 -0.146 0.000 0.951 472 S CA -0.296 57.845 58.200 -0.099 0.000 0.973 472 S CB -0.386 62.772 63.200 -0.071 0.000 0.778 472 S HN 0.566 nan 8.310 nan 0.000 0.477 473 L N -0.491 120.596 121.223 -0.226 0.000 2.993 473 L HA 0.310 4.650 4.340 -0.001 0.000 0.264 473 L C 0.657 177.225 176.870 -0.502 0.000 1.154 473 L CA -0.233 54.371 54.840 -0.393 0.000 0.972 473 L CB 0.172 41.900 42.059 -0.551 0.000 1.373 473 L HN 0.254 nan 8.230 nan 0.000 0.564 474 Q N 1.194 120.793 119.800 -0.335 0.000 2.432 474 Q HA 0.336 4.676 4.340 -0.001 0.000 0.264 474 Q C 0.507 176.391 176.000 -0.193 0.000 1.035 474 Q CA -0.099 55.547 55.803 -0.262 0.000 0.908 474 Q CB 0.971 29.608 28.738 -0.169 0.000 1.280 474 Q HN 0.273 nan 8.270 nan 0.000 0.455 475 A N 1.922 124.651 122.820 -0.151 0.000 2.520 475 A HA 0.195 4.514 4.320 -0.001 0.000 0.235 475 A C -0.040 177.474 177.584 -0.117 0.000 1.065 475 A CA 0.260 52.229 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 0.333 120.766 120.500 -0.111 0.000 2.807 476 R HA 0.449 4.789 4.340 -0.001 0.000 0.276 476 R C 0.229 176.411 176.300 -0.197 0.000 0.979 476 R CA -0.618 55.414 56.100 -0.113 0.000 0.928 476 R CB 1.149 31.408 30.300 -0.069 0.000 1.191 476 R HN 0.735 nan 8.270 nan 0.000 0.471 477 N N 0.230 118.743 118.700 -0.312 0.000 2.250 477 N HA 0.163 4.903 4.740 -0.001 0.000 0.190 477 N C -1.021 173.879 175.510 -1.016 0.000 1.116 477 N CA 0.340 52.936 53.050 -0.757 0.000 0.881 477 N CB 0.456 38.332 38.487 -1.018 0.000 1.006 477 N HN 0.369 nan 8.380 nan 0.000 0.491 478 W N 0.080 121.379 121.300 -0.001 0.000 3.083 478 W HA 0.546 5.205 4.660 -0.001 0.000 0.333 478 W C -0.697 175.833 176.519 0.019 0.000 1.217 478 W CA -0.766 56.586 57.345 0.013 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 2.022 123.428 121.223 0.305 0.000 2.303 479 L HA 0.652 4.991 4.340 -0.001 0.000 0.266 479 L C -2.141 174.854 176.870 0.208 0.000 1.011 479 L CA -2.725 52.238 54.840 0.204 0.000 0.818 479 L CB 0.534 42.713 42.059 0.200 0.000 1.326 479 L HN 0.068 nan 8.230 nan 0.000 0.435 480 P HA 0.243 nan 4.420 nan 0.000 0.274 480 P C -0.115 177.343 177.300 0.264 0.000 1.256 480 P CA -0.372 62.828 63.100 0.168 0.000 0.795 480 P CB 0.442 32.192 31.700 0.083 0.000 1.038 481 G N 0.682 109.643 108.800 0.268 0.000 2.667 481 G HA2 0.307 4.266 3.960 -0.001 0.000 0.250 481 G HA3 0.307 4.266 3.960 -0.001 0.000 0.250 481 G C -2.280 172.684 174.900 0.108 0.000 1.212 481 G CA -0.931 44.317 45.100 0.246 0.000 0.874 481 G HN 0.363 nan 8.290 nan 0.000 0.561 482 P HA 0.208 nan 4.420 nan 0.000 0.273 482 P C 0.108 177.334 177.300 -0.123 0.000 1.258 482 P CA -0.028 62.944 63.100 -0.213 0.000 0.802 482 P CB 0.596 32.059 31.700 -0.395 0.000 1.040 483 C N -1.869 117.338 119.300 -0.154 0.000 3.285 483 C HA 0.706 5.166 4.460 -0.001 0.000 0.325 483 C C -1.719 173.295 174.990 0.041 0.000 1.304 483 C CA -0.721 58.277 59.018 -0.033 0.000 1.319 483 C CB 0.696 28.457 27.740 0.036 0.000 1.640 483 C HN 0.604 nan 8.230 nan 0.000 0.477 484 Y N 1.720 121.977 120.300 -0.070 0.000 2.379 484 Y HA 0.491 5.041 4.550 -0.001 0.000 0.342 484 Y C 0.339 176.225 175.900 -0.023 0.000 1.126 484 Y CA -0.327 57.740 58.100 -0.054 0.000 1.310 484 Y CB 0.511 38.946 38.460 -0.042 0.000 1.115 484 Y HN 1.055 nan 8.280 nan 0.000 0.505 485 R N 3.693 124.076 120.500 -0.195 0.000 2.500 485 R HA 0.017 4.356 4.340 -0.001 0.000 0.281 485 R C -0.476 175.746 176.300 -0.130 0.000 0.953 485 R CA 0.810 56.827 56.100 -0.138 0.000 1.108 485 R CB 0.494 30.701 30.300 -0.155 0.000 0.901 485 R HN 0.609 nan 8.270 nan 0.000 0.410 486 Q N 2.317 122.075 119.800 -0.071 0.000 2.297 486 Q HA 0.141 4.480 4.340 -0.001 0.000 0.268 486 Q C -0.829 175.109 176.000 -0.104 0.000 1.045 486 Q CA -0.940 54.810 55.803 -0.088 0.000 0.861 486 Q CB 1.834 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 1.232 120.965 119.800 -0.111 0.000 2.327 487 Q HA 0.139 4.478 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 0.150 55.903 55.803 -0.083 0.000 0.884 487 Q CB 0.751 29.485 28.738 -0.005 0.000 1.224 487 Q HN 0.386 nan 8.270 nan 0.000 0.422 488 R N 3.129 123.570 120.500 -0.098 0.000 2.308 488 R HA 0.419 4.759 4.340 -0.001 0.000 0.305 488 R C -1.216 175.044 176.300 -0.066 0.000 1.053 488 R CA -0.383 55.654 56.100 -0.104 0.000 0.957 488 R CB 0.296 30.512 30.300 -0.140 0.000 1.022 488 R HN 0.531 nan 8.270 nan 0.000 0.461 489 L N 2.078 123.181 121.223 -0.200 0.000 2.354 489 L HA 0.428 4.768 4.340 -0.001 0.000 0.269 489 L C -0.238 176.598 176.870 -0.058 0.000 1.005 489 L CA -0.172 54.533 54.840 -0.224 0.000 0.819 489 L CB 2.041 43.694 42.059 -0.677 0.000 1.311 489 L HN 0.586 nan 8.230 nan 0.000 0.423 490 S N 0.229 115.992 115.700 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 0.138 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 0.026 4.346 4.320 -0.001 0.000 0.201 491 K C 0.225 176.835 176.600 0.017 0.000 1.048 491 K CA 0.693 57.034 56.287 0.091 0.000 0.956 491 K CB -0.225 32.274 32.500 -0.002 0.000 0.746 491 K HN 0.496 nan 8.250 nan 0.000 0.461 492 T N 1.871 116.406 114.554 -0.032 0.000 2.738 492 T HA 0.179 4.529 4.350 -0.001 0.000 0.293 492 T C 0.596 175.307 174.700 0.018 0.000 0.913 492 T CA -0.289 61.798 62.100 -0.022 0.000 1.103 492 T CB 1.235 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 52.163 52.037 0.041 0.000 0.985 493 A CB -0.672 18.346 19.000 0.030 0.000 0.858 493 A HN 0.949 nan 8.150 nan 0.000 0.496 494 N N -2.655 116.070 118.700 0.043 0.000 2.067 494 N HA -0.029 4.711 4.740 -0.001 0.000 0.227 494 N C -0.329 175.215 175.510 0.057 0.000 1.348 494 N CA 0.250 53.327 53.050 0.045 0.000 0.879 494 N CB 0.098 38.603 38.487 0.030 0.000 1.109 494 N HN 0.113 nan 8.380 nan 0.000 0.501 495 D N 1.027 121.468 120.400 0.068 0.000 2.277 495 D HA 0.068 4.708 4.640 -0.001 0.000 0.208 495 D C 0.182 176.551 176.300 0.115 0.000 0.962 495 D CA 0.674 54.733 54.000 0.099 0.000 0.865 495 D CB 0.014 40.893 40.800 0.133 0.000 0.939 495 D HN 0.268 nan 8.370 nan 0.000 0.510 496 N N 1.113 119.885 118.700 0.121 0.000 2.445 496 N HA 0.013 4.752 4.740 -0.001 0.000 0.264 496 N C 0.062 175.645 175.510 0.123 0.000 1.227 496 N CA -0.275 52.866 53.050 0.151 0.000 0.963 496 N CB 0.394 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 0.859 119.628 118.700 0.116 0.000 2.492 497 N HA -0.089 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 0.236 53.326 53.050 0.066 0.000 0.926 497 N CB 0.086 38.525 38.487 -0.079 0.000 1.078 497 N HN 0.450 nan 8.380 nan 0.000 0.454 498 N N 1.877 120.632 118.700 0.093 0.000 3.193 498 N HA -0.024 4.715 4.740 -0.001 0.000 0.312 498 N C -1.039 174.537 175.510 0.110 0.000 1.261 498 N CA -0.165 52.942 53.050 0.095 0.000 1.208 498 N CB -0.123 38.399 38.487 0.058 0.000 1.471 498 N HN 0.493 nan 8.380 nan 0.000 0.548 499 S N 0.315 116.128 115.700 0.188 0.000 2.537 499 S HA 0.196 4.665 4.470 -0.001 0.000 0.270 499 S C -0.954 173.834 174.600 0.313 0.000 1.142 499 S CA -1.124 57.202 58.200 0.209 0.000 0.870 499 S CB 1.428 64.733 63.200 0.174 0.000 1.112 499 S HN 0.245 nan 8.310 nan 0.000 0.466 500 N N 1.336 120.148 118.700 0.187 0.000 2.439 500 N HA 0.431 5.171 4.740 -0.001 0.000 0.243 500 N C -0.398 175.209 175.510 0.161 0.000 1.088 500 N CA -0.846 52.258 53.050 0.091 0.000 0.940 500 N CB -0.313 38.200 38.487 0.044 0.000 1.180 500 N HN 0.677 nan 8.380 nan 0.000 0.505 501 F N 1.791 121.781 119.950 0.066 0.000 2.805 501 F HA 0.550 5.077 4.527 -0.001 0.000 0.317 501 F C -2.022 173.838 175.800 0.099 0.000 1.146 501 F CA -1.598 56.444 58.000 0.070 0.000 1.265 501 F CB 0.671 39.690 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 0.616 178.062 177.300 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 -0.035 0.000 1.088 503 W N -0.521 120.804 121.300 0.042 0.000 3.900 503 W HA 0.027 4.687 4.660 -0.001 0.000 0.186 503 W C 0.508 177.066 176.519 0.066 0.000 1.082 503 W CA 0.664 58.034 57.345 0.042 0.000 1.537 503 W CB 0.016 29.481 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 0.345 4.695 4.350 -0.001 0.000 0.253 504 T C 1.167 175.866 174.700 -0.001 0.000 1.118 504 T CA 0.957 63.059 62.100 0.003 0.000 1.058 504 T CB 0.362 69.302 68.868 0.120 0.000 0.953 504 T HN 0.084 nan 8.240 nan 0.000 0.515 505 A N 0.205 123.073 122.820 0.080 0.000 2.600 505 A HA 0.831 5.151 4.320 -0.001 0.000 0.252 505 A C 0.992 178.624 177.584 0.080 0.000 1.200 505 A CA -0.025 52.060 52.037 0.081 0.000 0.981 505 A CB 0.148 19.237 19.000 0.149 0.000 1.207 505 A HN 0.613 nan 8.150 nan 0.000 0.577 506 A N 0.295 123.159 122.820 0.074 0.000 2.302 506 A HA 0.630 4.949 4.320 -0.001 0.000 0.285 506 A C 0.365 177.981 177.584 0.053 0.000 1.105 506 A CA -0.182 51.929 52.037 0.124 0.000 0.816 506 A CB 0.251 19.416 19.000 0.275 0.000 1.067 506 A HN 0.298 nan 8.150 nan 0.000 0.489 507 S N 1.392 117.170 115.700 0.130 0.000 2.510 507 S HA 0.380 4.850 4.470 -0.001 0.000 0.279 507 S C -0.008 174.716 174.600 0.208 0.000 1.284 507 S CA -0.160 58.133 58.200 0.156 0.000 1.059 507 S CB -0.001 63.321 63.200 0.202 0.000 0.901 507 S HN 0.636 nan 8.310 nan 0.000 0.491 508 K N 1.666 122.147 120.400 0.135 0.000 2.509 508 K HA 0.598 4.918 4.320 -0.001 0.000 0.266 508 K C -1.352 175.325 176.600 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 -1.514 118.818 120.300 0.053 0.000 2.630 509 Y HA 0.620 5.170 4.550 -0.001 0.000 0.337 509 Y C -0.689 175.285 175.900 0.125 0.000 1.051 509 Y CA -1.021 57.118 58.100 0.065 0.000 1.121 509 Y CB 1.533 39.981 38.460 -0.019 0.000 1.299 509 Y HN 0.751 nan 8.280 nan 0.000 0.498 510 H N 1.741 120.951 119.070 0.234 0.000 2.865 510 H HA 0.628 5.183 4.556 -0.001 0.000 0.362 510 H C -2.394 173.064 175.328 0.216 0.000 1.114 510 H CA -1.183 54.947 56.048 0.137 0.000 1.208 510 H CB 1.616 31.414 29.762 0.059 0.000 1.727 510 H HN 0.886 nan 8.280 nan 0.000 0.534 511 L N 3.495 124.761 121.223 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 1.547 43.673 42.059 0.111 0.000 1.279 511 L HN 0.840 nan 8.230 nan 0.000 0.412 512 N N 2.373 121.107 118.700 0.056 0.000 2.741 512 N HA -0.185 4.555 4.740 -0.001 0.000 0.250 512 N C 0.697 176.306 175.510 0.166 0.000 1.115 512 N CA 1.331 54.442 53.050 0.101 0.000 0.724 512 N CB -0.613 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 -0.355 108.631 108.800 0.310 0.000 2.176 513 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.252 513 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.252 513 G C -0.146 174.901 174.900 0.244 0.000 1.024 513 G CA 0.525 45.817 45.100 0.320 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 0.285 0.000 2.451 514 R HA 0.370 4.709 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 -0.842 55.379 56.100 0.202 0.000 0.865 514 R CB 0.763 31.165 30.300 0.169 0.000 1.174 514 R HN 0.088 nan 8.270 nan 0.000 0.455 515 D N 1.753 122.254 120.400 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 1.493 42.378 40.800 0.142 0.000 1.179 515 D HN 0.374 nan 8.370 nan 0.000 0.456 516 S N 1.526 117.062 115.700 -0.272 0.000 2.571 516 S HA 0.285 4.755 4.470 -0.001 0.000 0.284 516 S C -0.613 173.707 174.600 -0.467 0.000 1.128 516 S CA -0.760 57.202 58.200 -0.396 0.000 0.970 516 S CB 1.800 64.574 63.200 -0.710 0.000 1.039 516 S HN 0.292 nan 8.310 nan 0.000 0.485 517 L N 3.923 125.066 121.223 -0.134 0.000 2.418 517 L HA 0.338 4.677 4.340 -0.001 0.000 0.274 517 L C -0.358 176.472 176.870 -0.066 0.000 1.135 517 L CA 0.110 54.890 54.840 -0.100 0.000 0.870 517 L CB 0.535 42.576 42.059 -0.030 0.000 1.154 517 L HN 0.522 nan 8.230 nan 0.000 0.462 518 V N 6.895 126.842 119.914 0.055 0.000 2.242 518 V HA 0.024 4.144 4.120 -0.001 0.000 0.242 518 V C 1.239 177.422 176.094 0.148 0.000 1.240 518 V CA 0.026 62.442 62.300 0.195 0.000 1.211 518 V CB -0.693 31.286 31.823 0.260 0.000 1.338 518 V HN 0.918 nan 8.190 nan 0.000 0.499 519 N N 6.357 125.077 118.700 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 0.798 53.862 53.050 0.023 0.000 0.853 519 N CB -0.426 38.033 38.487 -0.047 0.000 1.048 519 N HN 0.366 nan 8.380 nan 0.000 0.431 520 P HA 0.277 nan 4.420 nan 0.000 0.251 520 P C -0.242 177.137 177.300 0.131 0.000 1.718 520 P CA -0.377 62.811 63.100 0.147 0.000 1.119 520 P CB 0.809 32.574 31.700 0.108 0.000 1.762 521 G N 4.633 113.525 108.800 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 43.963 45.100 0.100 0.000 1.059 521 G HN 0.216 nan 8.290 nan 0.000 0.535 522 P HA 0.204 nan 4.420 nan 0.000 0.269 522 P C -0.181 177.144 177.300 0.042 0.000 1.205 522 P CA 0.274 63.367 63.100 -0.010 0.000 0.780 522 P CB 0.312 31.971 31.700 -0.067 0.000 0.858 523 A N 3.538 126.386 122.820 0.046 0.000 2.473 523 A HA 0.357 4.677 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 52.460 52.037 0.097 0.000 0.827 523 A CB -0.974 18.112 19.000 0.143 0.000 1.098 523 A HN 0.421 nan 8.150 nan 0.000 0.515 524 M N 2.065 121.722 119.600 0.096 0.000 2.644 524 M HA 0.588 5.067 4.480 -0.001 0.000 0.304 524 M C 0.235 176.589 176.300 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 34.890 32.600 0.083 0.000 1.740 524 M HN 0.636 nan 8.290 nan 0.000 0.464 525 A N 0.894 123.756 122.820 0.070 0.000 2.425 525 A HA 0.354 4.674 4.320 -0.001 0.000 0.249 525 A C 0.784 178.413 177.584 0.075 0.000 1.084 525 A CA -0.257 51.810 52.037 0.051 0.000 0.781 525 A CB 0.261 19.263 19.000 0.004 0.000 1.019 525 A HN 0.924 nan 8.150 nan 0.000 0.490 526 S N 0.648 116.414 115.700 0.110 0.000 2.371 526 S HA -0.008 4.462 4.470 -0.001 0.000 0.224 526 S C 0.748 175.512 174.600 0.273 0.000 1.029 526 S CA 1.507 59.839 58.200 0.219 0.000 0.978 526 S CB -0.280 63.120 63.200 0.335 0.000 0.833 526 S HN 0.956 nan 8.310 nan 0.000 0.466 527 H N 0.282 119.420 119.070 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 54.907 56.048 0.116 0.000 1.124 527 H CB 0.949 30.808 29.762 0.162 0.000 1.850 527 H HN 0.130 nan 8.280 nan 0.000 0.549 528 K N 0.990 121.452 120.400 0.103 0.000 2.117 528 K HA 0.200 4.519 4.320 -0.001 0.000 0.240 528 K C -0.621 176.034 176.600 0.091 0.000 1.031 528 K CA -0.692 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 1.078 121.510 120.400 0.054 0.000 2.443 529 D HA 0.008 4.648 4.640 -0.001 0.000 0.239 529 D C -0.409 175.963 176.300 0.120 0.000 1.136 529 D CA 0.905 54.953 54.000 0.081 0.000 0.879 529 D CB 0.226 41.052 40.800 0.043 0.000 1.195 529 D HN 0.602 nan 8.370 nan 0.000 0.443 530 D N 1.360 121.842 120.400 0.136 0.000 2.835 530 D HA -0.155 4.484 4.640 -0.001 0.000 0.230 530 D C 0.585 176.970 176.300 0.142 0.000 1.130 530 D CA 0.859 54.929 54.000 0.117 0.000 0.738 530 D CB -0.651 40.198 40.800 0.082 0.000 1.090 530 D HN 0.599 nan 8.370 nan 0.000 0.433 531 E N -0.548 119.771 120.200 0.198 0.000 3.555 531 E HA 0.086 4.435 4.350 -0.001 0.000 0.187 531 E C 0.439 177.062 176.600 0.039 0.000 1.267 531 E CA -0.144 56.371 56.400 0.192 0.000 1.353 531 E CB 0.343 30.243 29.700 0.333 0.000 2.031 531 E HN 0.049 nan 8.360 nan 0.000 0.522 532 E N 0.892 121.004 120.200 -0.146 0.000 2.586 532 E HA -0.257 4.093 4.350 -0.001 0.000 0.259 532 E C 0.261 176.674 176.600 -0.312 0.000 1.107 532 E CA 1.451 57.528 56.400 -0.540 0.000 0.754 532 E CB -1.136 28.457 29.700 -0.179 0.000 1.335 532 E HN 0.391 nan 8.360 nan 0.000 0.411 533 K N -1.822 118.435 120.400 -0.239 0.000 2.574 533 K HA 0.161 4.481 4.320 -0.001 0.000 0.215 533 K C 0.040 176.496 176.600 -0.240 0.000 1.485 533 K CA -0.160 55.969 56.287 -0.263 0.000 1.006 533 K CB 0.207 32.476 32.500 -0.384 0.000 1.254 533 K HN 0.032 nan 8.250 nan 0.000 0.580 534 F N 3.566 123.541 119.950 0.043 0.000 2.390 534 F HA 0.361 4.887 4.527 -0.001 0.000 0.361 534 F C -0.049 175.833 175.800 0.137 0.000 1.124 534 F CA -1.311 56.732 58.000 0.072 0.000 1.149 534 F CB 0.589 39.607 39.000 0.030 0.000 1.160 534 F HN 0.014 nan 8.300 nan 0.000 0.501 535 F N 3.161 123.205 119.950 0.158 0.000 2.470 535 F HA 0.826 5.353 4.527 -0.001 0.000 0.329 535 F C -3.007 172.863 175.800 0.115 0.000 1.072 535 F CA -3.623 54.451 58.000 0.123 0.000 0.989 535 F CB 0.495 39.533 39.000 0.064 0.000 1.193 535 F HN 0.110 nan 8.300 nan 0.000 0.481 536 P HA 0.108 nan 4.420 nan 0.000 0.271 536 P C -0.453 176.722 177.300 -0.209 0.000 1.218 536 P CA -0.426 62.615 63.100 -0.100 0.000 0.780 536 P CB 0.737 32.444 31.700 0.011 0.000 0.901 537 M N 4.989 124.409 119.600 -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 -0.555 0.000 1.790 537 M CA 0.720 55.830 55.300 -0.316 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 1.163 120.338 119.070 0.174 0.000 2.690 538 H HA -0.188 4.368 4.556 -0.001 0.000 0.309 538 H C 0.428 175.838 175.328 0.137 0.000 1.138 538 H CA 0.471 56.613 56.048 0.156 0.000 1.142 538 H CB -2.194 27.633 29.762 0.108 0.000 1.410 538 H HN 0.916 nan 8.280 nan 0.000 0.409 539 G N 0.917 109.782 108.800 0.108 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 0.326 45.498 45.100 0.121 0.000 0.819 539 G HN 0.917 nan 8.290 nan 0.000 0.531 540 N N -1.199 117.599 118.700 0.163 0.000 3.322 540 N HA 0.112 4.851 4.740 -0.001 0.000 0.233 540 N C -1.729 173.797 175.510 0.027 0.000 1.399 540 N CA -0.843 52.276 53.050 0.114 0.000 0.894 540 N CB 0.827 39.388 38.487 0.123 0.000 1.440 540 N HN -0.188 nan 8.380 nan 0.000 0.503 541 L N 0.797 121.984 121.223 -0.061 0.000 2.367 541 L HA 0.443 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 0.131 54.810 54.840 -0.267 0.000 0.839 541 L CB 0.146 42.001 42.059 -0.340 0.000 1.133 541 L HN 0.473 nan 8.230 nan 0.000 0.453 542 I N 3.738 124.039 120.570 -0.448 0.000 2.389 542 I HA 0.344 4.513 4.170 -0.001 0.000 0.288 542 I C -0.665 175.186 176.117 -0.445 0.000 0.999 542 I CA -0.408 60.671 61.300 -0.369 0.000 1.129 542 I CB 1.016 38.904 38.000 -0.187 0.000 1.288 542 I HN 0.308 nan 8.210 nan 0.000 0.444 543 F N 3.083 122.988 119.950 -0.074 0.000 2.422 543 F HA 0.580 5.107 4.527 -0.001 0.000 0.333 543 F C 1.069 176.837 175.800 -0.054 0.000 1.095 543 F CA -0.644 57.325 58.000 -0.052 0.000 1.038 543 F CB 1.657 40.627 39.000 -0.049 0.000 1.156 543 F HN 0.420 nan 8.300 nan 0.000 0.483 544 G N 2.736 111.625 108.800 0.149 0.000 2.353 544 G HA2 0.338 4.297 3.960 -0.001 0.000 0.284 544 G HA3 0.338 4.297 3.960 -0.001 0.000 0.284 544 G C -0.566 174.360 174.900 0.043 0.000 1.172 544 G CA -0.744 44.392 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 0.313 176.893 176.600 -0.034 0.000 0.999 545 K CA -0.176 56.090 56.287 -0.035 0.000 0.908 545 K CB 0.652 33.119 32.500 -0.054 0.000 0.981 545 K HN 0.517 nan 8.250 nan 0.000 0.500 546 E N 0.344 120.508 120.200 -0.060 0.000 2.415 546 E HA 0.082 4.432 4.350 -0.001 0.000 0.263 546 E C -0.187 176.390 176.600 -0.038 0.000 0.995 546 E CA 1.085 57.456 56.400 -0.048 0.000 0.915 546 E CB 0.309 29.964 29.700 -0.075 0.000 0.951 546 E HN 0.636 nan 8.360 nan 0.000 0.449 547 G N 3.569 112.357 108.800 -0.019 0.000 2.540 547 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.260 547 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.260 547 G C -0.451 174.437 174.900 -0.019 0.000 0.993 547 G CA 0.254 45.344 45.100 -0.017 0.000 1.327 547 G HN 0.612 nan 8.290 nan 0.000 0.485 548 T N 1.205 115.752 114.554 -0.012 0.000 3.705 548 T HA 0.433 4.783 4.350 -0.001 0.000 0.342 548 T C 0.375 175.070 174.700 -0.009 0.000 1.043 548 T CA -0.105 61.987 62.100 -0.014 0.000 1.071 548 T CB 1.199 70.057 68.868 -0.016 0.000 1.124 548 T HN 0.636 nan 8.240 nan 0.000 0.467 549 T N 2.384 116.931 114.554 -0.011 0.000 2.906 549 T HA 0.212 4.561 4.350 -0.001 0.000 0.329 549 T C 1.632 176.325 174.700 -0.011 0.000 1.091 549 T CA 0.325 62.419 62.100 -0.010 0.000 1.127 549 T CB 0.459 69.319 68.868 -0.013 0.000 1.035 549 T HN 0.758 nan 8.240 nan 0.000 0.547 550 A N 1.963 124.777 122.820 -0.011 0.000 2.206 550 A HA 0.231 4.551 4.320 -0.001 0.000 0.211 550 A C 1.396 178.966 177.584 -0.022 0.000 1.158 550 A CA 0.236 52.264 52.037 -0.014 0.000 0.761 550 A CB 0.186 19.179 19.000 -0.012 0.000 0.801 550 A HN 0.563 nan 8.150 nan 0.000 0.473 551 S N 0.357 116.044 115.700 -0.022 0.000 2.498 551 S HA 0.410 4.879 4.470 -0.001 0.000 0.324 551 S C -0.444 174.142 174.600 -0.025 0.000 1.071 551 S CA -0.672 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 2.244 120.928 118.700 -0.027 0.000 2.607 552 N HA -0.201 4.538 4.740 -0.001 0.000 0.285 552 N C -0.332 175.165 175.510 -0.022 0.000 1.151 552 N CA 0.536 53.571 53.050 -0.024 0.000 0.749 552 N CB -0.538 37.934 38.487 -0.024 0.000 0.923 552 N HN 0.657 nan 8.380 nan 0.000 0.552 553 A N 0.794 123.601 122.820 -0.022 0.000 2.252 553 A HA 0.579 4.898 4.320 -0.001 0.000 0.305 553 A C 0.465 178.035 177.584 -0.024 0.000 1.097 553 A CA -0.391 51.632 52.037 -0.022 0.000 0.849 553 A CB 0.769 19.755 19.000 -0.023 0.000 1.142 553 A HN 0.464 nan 8.150 nan 0.000 0.499 554 E N -0.717 119.468 120.200 -0.025 0.000 2.374 554 E HA 0.245 4.594 4.350 -0.001 0.000 0.260 554 E C 0.842 177.422 176.600 -0.034 0.000 1.101 554 E CA -0.268 56.116 56.400 -0.026 0.000 0.907 554 E CB 0.700 30.385 29.700 -0.025 0.000 1.014 554 E HN 0.513 nan 8.360 nan 0.000 0.427 555 L N 2.079 123.282 121.223 -0.034 0.000 2.191 555 L HA -0.067 4.273 4.340 -0.001 0.000 0.212 555 L C 0.689 177.523 176.870 -0.060 0.000 1.103 555 L CA 1.808 56.618 54.840 -0.050 0.000 0.769 555 L CB -0.097 41.939 42.059 -0.040 0.000 0.908 555 L HN 0.522 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 -0.004 4.636 4.640 -0.001 0.000 0.226 556 D C 0.816 177.087 176.300 -0.048 0.000 1.066 556 D CA 0.275 54.246 54.000 -0.049 0.000 0.861 556 D CB -0.019 40.756 40.800 -0.041 0.000 0.912 556 D HN 0.374 nan 8.370 nan 0.000 0.521 557 N N 0.042 118.714 118.700 -0.047 0.000 2.184 557 N HA 0.037 4.776 4.740 -0.001 0.000 0.206 557 N C -0.016 175.469 175.510 -0.041 0.000 1.151 557 N CA 0.057 53.081 53.050 -0.042 0.000 0.878 557 N CB 1.669 40.135 38.487 -0.035 0.000 1.014 557 N HN 0.072 nan 8.380 nan 0.000 0.512 558 V N -2.179 117.704 119.914 -0.051 0.000 3.074 558 V HA 0.660 4.780 4.120 -0.001 0.000 0.314 558 V C -0.411 175.649 176.094 -0.057 0.000 1.117 558 V CA -0.985 61.285 62.300 -0.049 0.000 1.014 558 V CB 2.512 34.295 31.823 -0.066 0.000 1.057 558 V HN -0.181 nan 8.190 nan 0.000 0.438 559 M N 3.282 122.865 119.600 -0.028 0.000 2.043 559 M HA 0.583 5.063 4.480 -0.001 0.000 0.322 559 M C -0.998 175.272 176.300 -0.050 0.000 0.962 559 M CA -0.145 55.145 55.300 -0.017 0.000 0.927 559 M CB 1.530 34.161 32.600 0.051 0.000 1.466 559 M HN 0.561 nan 8.290 nan 0.000 0.412 560 I N 2.602 123.099 120.570 -0.122 0.000 2.365 560 I HA 0.325 4.494 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 -0.661 60.535 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 0.518 115.016 114.554 -0.094 0.000 2.806 561 T HA 0.279 4.628 4.350 -0.001 0.000 0.290 561 T C -0.489 174.254 174.700 0.071 0.000 0.966 561 T CA -0.838 61.223 62.100 -0.063 0.000 1.060 561 T CB 1.609 70.312 68.868 -0.276 0.000 0.927 561 T HN 0.409 nan 8.240 nan 0.000 0.485 562 D N 1.941 122.431 120.400 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 3.334 123.669 120.200 0.226 0.000 2.360 563 E HA 0.058 4.408 4.350 -0.001 0.000 0.253 563 E C 0.054 176.714 176.600 0.100 0.000 1.189 563 E CA -0.056 56.453 56.400 0.182 0.000 1.252 563 E CB 0.239 30.046 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 0.192 176.777 176.600 -0.025 0.000 1.006 564 E CA -0.004 56.374 56.400 -0.036 0.000 0.985 564 E CB 0.303 29.960 29.700 -0.071 0.000 1.060 564 E HN -0.036 nan 8.360 nan 0.000 0.460 565 E N 0.738 120.936 120.200 -0.004 0.000 2.431 565 E HA 0.136 4.485 4.350 -0.001 0.000 0.200 565 E C 1.479 178.069 176.600 -0.016 0.000 0.995 565 E CA 0.236 56.619 56.400 -0.029 0.000 0.915 565 E CB 0.312 29.976 29.700 -0.060 0.000 0.930 565 E HN 0.555 nan 8.360 nan 0.000 0.496 566 I N -1.982 118.591 120.570 0.006 0.000 3.858 566 I HA 0.291 4.461 4.170 -0.001 0.000 0.325 566 I C 1.028 177.168 176.117 0.039 0.000 1.403 566 I CA -0.185 61.136 61.300 0.036 0.000 1.169 566 I CB 0.184 38.214 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 2.185 178.490 176.300 0.009 0.000 1.117 567 R CA 1.988 58.086 56.100 -0.004 0.000 0.981 567 R CB -0.369 29.912 30.300 -0.033 0.000 0.870 567 R HN 0.649 nan 8.270 nan 0.000 0.451 568 T N -3.214 111.354 114.554 0.024 0.000 3.067 568 T HA -0.010 4.340 4.350 -0.001 0.000 0.257 568 T C 1.709 176.400 174.700 -0.015 0.000 1.105 568 T CA 1.137 63.241 62.100 0.006 0.000 1.104 568 T CB 0.216 69.094 68.868 0.017 0.000 0.925 568 T HN 0.304 nan 8.240 nan 0.000 0.498 569 T N -1.902 112.660 114.554 0.014 0.000 2.955 569 T HA 0.317 4.667 4.350 -0.001 0.000 0.251 569 T C 0.358 175.112 174.700 0.089 0.000 1.002 569 T CA -0.539 61.573 62.100 0.020 0.000 0.970 569 T CB -0.269 68.601 68.868 0.003 0.000 1.091 569 T HN 0.383 nan 8.240 nan 0.000 0.495 570 N N 2.197 120.948 118.700 0.085 0.000 2.319 570 N HA 0.573 5.313 4.740 -0.001 0.000 0.305 570 N C -3.132 172.422 175.510 0.074 0.000 1.103 570 N CA -2.017 51.096 53.050 0.105 0.000 0.815 570 N CB 2.022 40.577 38.487 0.112 0.000 1.288 570 N HN 0.058 nan 8.380 nan 0.000 0.493 571 P HA 0.054 nan 4.420 nan 0.000 0.272 571 P C -0.673 176.664 177.300 0.063 0.000 1.223 571 P CA -0.377 62.769 63.100 0.077 0.000 0.784 571 P CB 0.617 32.421 31.700 0.174 0.000 0.923 572 V N 1.972 121.908 119.914 0.037 0.000 2.572 572 V HA 0.114 4.234 4.120 -0.001 0.000 0.291 572 V C 1.719 177.839 176.094 0.042 0.000 1.039 572 V CA 0.533 62.853 62.300 0.033 0.000 1.055 572 V CB -0.038 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 4.256 127.106 122.820 0.051 0.000 1.908 573 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 573 A C 2.255 179.845 177.584 0.009 0.000 1.181 573 A CA 2.401 54.465 52.037 0.045 0.000 0.627 573 A CB -0.695 18.341 19.000 0.060 0.000 0.818 573 A HN 1.016 nan 8.150 nan 0.000 0.445 574 T N -2.693 111.860 114.554 -0.002 0.000 3.009 574 T HA 0.072 4.422 4.350 -0.001 0.000 0.258 574 T C 0.815 175.485 174.700 -0.051 0.000 1.063 574 T CA 0.395 62.471 62.100 -0.041 0.000 1.139 574 T CB -0.206 68.630 68.868 -0.053 0.000 0.890 574 T HN 0.392 nan 8.240 nan 0.000 0.471 575 E N 2.373 122.554 120.200 -0.032 0.000 2.397 575 E HA 0.174 4.523 4.350 -0.001 0.000 0.254 575 E C 0.603 177.193 176.600 -0.017 0.000 1.231 575 E CA -0.208 56.170 56.400 -0.036 0.000 0.954 575 E CB 0.474 30.157 29.700 -0.028 0.000 1.024 575 E HN 0.769 nan 8.360 nan 0.000 0.481 576 Q N -0.351 119.439 119.800 -0.016 0.000 2.492 576 Q HA 0.016 4.355 4.340 -0.001 0.000 0.184 576 Q C 0.679 176.724 176.000 0.075 0.000 1.126 576 Q CA -0.037 55.775 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 -1.537 118.740 120.300 -0.038 0.000 2.609 577 Y HA 0.429 4.979 4.550 -0.001 0.000 0.281 577 Y C 0.537 176.425 175.900 -0.020 0.000 1.132 577 Y CA 1.083 59.167 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 -0.984 107.827 108.800 0.018 0.000 2.399 578 G HA2 0.307 4.266 3.960 -0.001 0.000 0.256 578 G HA3 0.307 4.266 3.960 -0.001 0.000 0.256 578 G C -1.432 173.477 174.900 0.015 0.000 1.236 578 G CA -0.380 44.686 45.100 -0.057 0.000 0.914 578 G HN -0.065 nan 8.290 nan 0.000 0.482 579 T N 0.087 114.643 114.554 0.004 0.000 2.829 579 T HA 0.678 5.028 4.350 -0.001 0.000 0.280 579 T C -0.662 174.055 174.700 0.029 0.000 0.999 579 T CA -0.320 61.787 62.100 0.012 0.000 0.983 579 T CB 1.717 70.582 68.868 -0.005 0.000 0.968 579 T HN 0.830 nan 8.240 nan 0.000 0.446 580 V N 1.674 121.604 119.914 0.028 0.000 2.789 580 V HA 0.805 4.924 4.120 -0.001 0.000 0.311 580 V C 0.109 176.213 176.094 0.017 0.000 1.073 580 V CA -1.305 61.012 62.300 0.029 0.000 0.921 580 V CB 1.827 33.671 31.823 0.035 0.000 1.009 580 V HN 1.089 nan 8.190 nan 0.000 0.426 581 A N 3.049 125.879 122.820 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 -0.304 51.740 52.037 0.012 0.000 0.807 581 A CB 0.174 19.182 19.000 0.014 0.000 1.047 581 A HN 1.094 nan 8.150 nan 0.000 0.487 582 N N 1.194 119.897 118.700 0.006 0.000 2.604 582 N HA 0.125 4.865 4.740 -0.001 0.000 0.284 582 N C -1.238 174.274 175.510 0.003 0.000 1.716 582 N CA -0.404 52.648 53.050 0.004 0.000 0.859 582 N CB 0.112 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 -1.740 173.773 175.510 0.005 0.000 1.399 583 N CA -0.580 52.472 53.050 0.004 0.000 0.894 583 N CB 0.601 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 2.352 584 L HA 0.247 4.587 4.340 -0.001 0.000 0.272 584 L C 0.403 177.276 176.870 0.005 0.000 1.109 584 L CA -0.846 53.998 54.840 0.006 0.000 0.952 584 L CB 0.225 42.288 42.059 0.006 0.000 1.314 584 L HN 0.622 nan 8.230 nan 0.000 0.427 585 Q N 2.561 122.364 119.800 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 55.761 55.803 0.003 0.000 0.918 585 Q CB 1.176 29.916 28.738 0.003 0.000 1.266 585 Q HN 0.586 nan 8.270 nan 0.000 0.423 586 S N 0.133 115.833 115.700 0.000 0.000 2.694 586 S HA 0.339 4.809 4.470 -0.001 0.000 0.273 586 S C 0.408 175.007 174.600 -0.002 0.000 1.180 586 S CA -0.337 57.863 58.200 -0.000 0.000 0.864 586 S CB 0.070 63.270 63.200 0.001 0.000 1.198 586 S HN 0.958 nan 8.310 nan 0.000 0.499 587 S N 1.173 116.872 115.700 -0.003 0.000 2.419 587 S HA -0.105 4.364 4.470 -0.001 0.000 0.233 587 S C 1.188 175.786 174.600 -0.004 0.000 1.016 587 S CA 1.292 59.490 58.200 -0.004 0.000 0.974 587 S CB -0.869 62.328 63.200 -0.004 0.000 0.786 587 S HN 0.639 nan 8.310 nan 0.000 0.492 588 N N 1.217 119.916 118.700 -0.002 0.000 2.395 588 N HA 0.092 4.831 4.740 -0.001 0.000 0.175 588 N C -0.116 175.393 175.510 -0.003 0.000 1.029 588 N CA 0.756 53.805 53.050 -0.002 0.000 0.897 588 N CB 0.043 38.529 38.487 -0.002 0.000 0.991 588 N HN 0.385 nan 8.380 nan 0.000 0.441 589 T N 0.390 114.943 114.554 -0.002 0.000 2.841 589 T HA 0.619 4.969 4.350 -0.001 0.000 0.283 589 T C -0.466 174.232 174.700 -0.003 0.000 1.000 589 T CA -0.746 61.353 62.100 -0.002 0.000 0.977 589 T CB 2.463 71.330 68.868 -0.001 0.000 0.979 589 T HN 0.090 nan 8.240 nan 0.000 0.446 590 A N 4.734 127.552 122.820 -0.003 0.000 2.331 590 A HA 0.673 4.992 4.320 -0.001 0.000 0.283 590 A C -2.241 175.341 177.584 -0.003 0.000 1.142 590 A CA -1.663 50.372 52.037 -0.004 0.000 0.812 590 A CB -0.183 18.814 19.000 -0.005 0.000 1.074 590 A HN 0.558 nan 8.150 nan 0.000 0.497 591 P HA 0.109 nan 4.420 nan 0.000 0.264 591 P C -0.390 176.909 177.300 -0.002 0.000 1.193 591 P CA 0.496 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 2.249 116.802 114.554 -0.001 0.000 2.855 592 T HA 0.419 4.769 4.350 -0.001 0.000 0.281 592 T C 0.030 174.729 174.700 -0.001 0.000 1.007 592 T CA -0.280 61.819 62.100 -0.002 0.000 1.009 592 T CB 1.186 70.053 68.868 -0.003 0.000 0.983 592 T HN 0.232 nan 8.240 nan 0.000 0.455 593 T N 3.111 117.663 114.554 -0.003 0.000 2.856 593 T HA 0.557 4.907 4.350 -0.001 0.000 0.283 593 T C -0.480 174.218 174.700 -0.004 0.000 1.008 593 T CA -0.767 61.332 62.100 -0.002 0.000 0.997 593 T CB 1.090 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 2.135 122.635 120.500 -0.000 0.000 2.480 594 R HA 0.363 4.703 4.340 -0.001 0.000 0.306 594 R C -0.929 175.372 176.300 0.003 0.000 0.958 594 R CA -0.472 55.627 56.100 -0.002 0.000 0.861 594 R CB 1.379 31.679 30.300 -0.000 0.000 1.171 594 R HN 0.616 nan 8.270 nan 0.000 0.445 595 T N 3.677 118.228 114.554 -0.005 0.000 2.738 595 T HA 0.054 4.404 4.350 -0.001 0.000 0.293 595 T C 0.044 174.748 174.700 0.006 0.000 0.913 595 T CA -0.055 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 0.352 nan 8.240 nan 0.000 0.526 596 V N 5.473 125.410 119.914 0.038 0.000 2.455 596 V HA 0.221 4.341 4.120 -0.001 0.000 0.273 596 V C 0.570 176.683 176.094 0.032 0.000 1.045 596 V CA -0.157 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 4.345 123.024 118.700 -0.035 0.000 2.294 597 N HA 0.158 4.897 4.740 -0.001 0.000 0.186 597 N C -0.427 175.003 175.510 -0.133 0.000 1.107 597 N CA 0.186 53.190 53.050 -0.076 0.000 0.884 597 N CB 0.599 39.020 38.487 -0.110 0.000 1.030 597 N HN 0.809 nan 8.380 nan 0.000 0.482 598 D N 0.590 120.909 120.400 -0.135 0.000 2.855 598 D HA 0.195 4.834 4.640 -0.001 0.000 0.241 598 D C -1.509 174.676 176.300 -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 2.737 122.363 119.800 -0.292 0.000 2.309 599 Q HA 0.653 4.993 4.340 -0.001 0.000 0.270 599 Q C 0.098 175.919 176.000 -0.298 0.000 1.023 599 Q CA -0.740 54.815 55.803 -0.413 0.000 0.758 599 Q CB 1.636 29.788 28.738 -0.975 0.000 1.247 599 Q HN 0.525 nan 8.270 nan 0.000 0.455 600 G N 2.070 110.739 108.800 -0.219 0.000 2.479 600 G HA2 0.465 4.425 3.960 -0.001 0.000 0.275 600 G HA3 0.465 4.425 3.960 -0.001 0.000 0.275 600 G C -0.479 174.274 174.900 -0.244 0.000 1.421 600 G CA -0.092 44.875 45.100 -0.222 0.000 1.059 600 G HN 0.828 nan 8.290 nan 0.000 0.535 601 A N -1.508 121.157 122.820 -0.257 0.000 2.304 601 A HA 0.716 5.035 4.320 -0.001 0.000 0.271 601 A C -0.407 177.155 177.584 -0.037 0.000 1.091 601 A CA -0.218 51.705 52.037 -0.189 0.000 0.812 601 A CB 0.498 19.334 19.000 -0.274 0.000 1.056 601 A HN 0.574 nan 8.150 nan 0.000 0.489 602 L N 0.890 122.153 121.223 0.068 0.000 2.482 602 L HA 0.361 4.701 4.340 -0.001 0.000 0.263 602 L C -2.588 174.386 176.870 0.173 0.000 0.957 602 L CA -1.846 53.057 54.840 0.105 0.000 0.836 602 L CB 2.645 44.763 42.059 0.098 0.000 1.324 602 L HN 0.429 nan 8.230 nan 0.000 0.406 603 P HA 0.164 nan 4.420 nan 0.000 0.259 603 P C 0.672 178.079 177.300 0.179 0.000 1.211 603 P CA 0.685 63.883 63.100 0.163 0.000 0.810 603 P CB 0.455 32.222 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 0.391 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 1.336 121.144 119.600 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 0.387 0.000 1.176 605 M CA -0.212 55.316 55.300 0.380 0.000 1.150 605 M CB 1.542 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 0.855 120.953 119.914 0.308 0.000 2.686 606 V HA 0.834 4.954 4.120 -0.001 0.000 0.306 606 V C -1.609 174.607 176.094 0.203 0.000 1.065 606 V CA -0.680 61.667 62.300 0.078 0.000 0.894 606 V CB 1.206 32.938 31.823 -0.150 0.000 1.004 606 V HN 1.076 nan 8.190 nan 0.000 0.424 607 W N 2.457 123.734 121.300 -0.038 0.000 3.029 607 W HA 0.886 5.546 4.660 -0.001 0.000 0.339 607 W C -1.016 175.482 176.519 -0.034 0.000 1.198 607 W CA -1.065 56.262 57.345 -0.031 0.000 1.148 607 W CB 1.775 31.223 29.460 -0.020 0.000 1.451 607 W HN 0.685 nan 8.180 nan 0.000 0.564 608 Q N 1.968 121.874 119.800 0.176 0.000 2.274 608 Q HA 0.308 4.648 4.340 -0.001 0.000 0.260 608 Q C -0.401 175.717 176.000 0.198 0.000 0.974 608 Q CA -0.263 55.585 55.803 0.076 0.000 0.876 608 Q CB 1.323 30.089 28.738 0.046 0.000 1.297 608 Q HN 0.410 nan 8.270 nan 0.000 0.446 609 D N 1.055 121.540 120.400 0.141 0.000 2.414 609 D HA 0.205 4.845 4.640 -0.001 0.000 0.259 609 D C 0.483 176.873 176.300 0.149 0.000 1.269 609 D CA -0.194 53.933 54.000 0.211 0.000 1.028 609 D CB 0.604 41.539 40.800 0.225 0.000 1.093 609 D HN 0.464 nan 8.370 nan 0.000 0.545 610 R N -0.302 120.303 120.500 0.175 0.000 3.213 610 R HA 0.246 4.586 4.340 -0.001 0.000 0.188 610 R C -0.269 176.140 176.300 0.181 0.000 0.931 610 R CA 0.078 56.281 56.100 0.173 0.000 1.218 610 R CB 0.026 30.440 30.300 0.191 0.000 0.742 610 R HN 0.423 nan 8.270 nan 0.000 0.484 611 D N -0.840 119.658 120.400 0.162 0.000 2.581 611 D HA 0.317 4.957 4.640 -0.001 0.000 0.232 611 D C -1.631 174.556 176.300 -0.188 0.000 1.143 611 D CA -0.556 53.459 54.000 0.026 0.000 0.881 611 D CB 1.983 42.684 40.800 -0.165 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 -0.407 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 -0.490 61.660 62.300 -0.251 0.000 0.896 612 V CB 0.759 32.397 31.823 -0.309 0.000 0.986 612 V HN 0.439 nan 8.190 nan 0.000 0.447 613 Y N 2.720 123.127 120.300 0.179 0.000 2.549 613 Y HA 0.580 5.130 4.550 -0.001 0.000 0.339 613 Y C 0.857 176.587 175.900 -0.284 0.000 1.053 613 Y CA -1.076 57.080 58.100 0.094 0.000 1.105 613 Y CB 1.516 40.062 38.460 0.144 0.000 1.258 613 Y HN 0.587 nan 8.280 nan 0.000 0.478 614 L N 1.412 122.284 121.223 -0.584 0.000 2.211 614 L HA -0.243 4.097 4.340 -0.001 0.000 0.216 614 L C 1.710 178.360 176.870 -0.366 0.000 1.092 614 L CA 2.050 56.191 54.840 -1.166 0.000 0.767 614 L CB -0.438 41.005 42.059 -1.026 0.000 0.894 614 L HN 0.825 nan 8.230 nan 0.000 0.437 615 Q N -1.386 118.302 119.800 -0.186 0.000 2.179 615 Q HA 0.304 4.644 4.340 -0.001 0.000 0.213 615 Q C 0.664 176.683 176.000 0.033 0.000 0.833 615 Q CA 0.375 56.167 55.803 -0.018 0.000 0.990 615 Q CB -0.304 28.282 28.738 -0.253 0.000 1.132 615 Q HN 0.363 nan 8.270 nan 0.000 0.493 616 G N 2.282 111.237 108.800 0.259 0.000 2.547 616 G HA2 0.477 4.437 3.960 -0.001 0.000 0.291 616 G HA3 0.477 4.437 3.960 -0.001 0.000 0.291 616 G C -2.716 172.376 174.900 0.320 0.000 1.211 616 G CA -1.251 44.141 45.100 0.486 0.000 0.950 616 G HN 0.059 nan 8.290 nan 0.000 0.504 617 P HA 0.184 nan 4.420 nan 0.000 0.270 617 P C 0.433 177.700 177.300 -0.056 0.000 1.223 617 P CA -0.152 62.950 63.100 0.003 0.000 0.785 617 P CB 1.011 32.722 31.700 0.019 0.000 0.923 618 I N -1.052 119.346 120.570 -0.287 0.000 2.900 618 I HA 0.182 4.352 4.170 -0.001 0.000 0.251 618 I C 0.677 176.982 176.117 0.313 0.000 1.102 618 I CA 0.554 61.747 61.300 -0.179 0.000 1.457 618 I CB -0.296 37.644 38.000 -0.100 0.000 1.285 618 I HN 0.445 nan 8.210 nan 0.000 0.459 619 W N 1.051 122.469 121.300 0.197 0.000 3.207 619 W HA 0.827 5.487 4.660 -0.000 0.000 0.326 619 W C -1.202 175.429 176.519 0.187 0.000 1.190 619 W CA -1.217 56.280 57.345 0.254 0.000 1.011 619 W CB 0.823 30.473 29.460 0.317 0.000 1.511 619 W HN -0.069 nan 8.180 nan 0.000 0.606 620 A N 1.327 124.428 122.820 0.468 0.000 2.555 620 A HA 0.450 4.770 4.320 -0.001 0.000 0.297 620 A C -1.554 176.175 177.584 0.243 0.000 1.060 620 A CA -1.091 51.119 52.037 0.289 0.000 0.710 620 A CB 1.471 20.567 19.000 0.159 0.000 1.282 620 A HN 0.698 nan 8.150 nan 0.000 0.399 621 K N 3.538 124.029 120.400 0.151 0.000 2.315 621 K HA 0.365 4.685 4.320 -0.001 0.000 0.291 621 K C -0.482 176.067 176.600 -0.085 0.000 1.074 621 K CA -0.273 55.943 56.287 -0.119 0.000 0.936 621 K CB -0.237 31.975 32.500 -0.480 0.000 1.049 621 K HN 0.615 nan 8.250 nan 0.000 0.471 622 I N 7.582 128.077 120.570 -0.125 0.000 2.742 622 I HA -0.043 4.127 4.170 -0.001 0.000 0.287 622 I C -1.780 174.248 176.117 -0.147 0.000 1.186 622 I CA -1.577 59.627 61.300 -0.160 0.000 1.417 622 I CB 0.098 37.923 38.000 -0.291 0.000 1.377 622 I HN 0.473 nan 8.210 nan 0.000 0.556 623 P HA -0.094 nan 4.420 nan 0.000 0.265 623 P C -0.540 176.822 177.300 0.103 0.000 1.187 623 P CA 0.165 63.293 63.100 0.046 0.000 0.766 623 P CB 0.282 32.036 31.700 0.090 0.000 0.820 624 H N 1.786 120.875 119.070 0.032 0.000 2.982 624 H HA 0.269 4.825 4.556 -0.001 0.000 0.261 624 H C 0.253 175.637 175.328 0.092 0.000 1.603 624 H CA 0.013 56.097 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 -0.676 113.889 114.554 0.018 0.000 2.870 625 T HA 0.148 4.497 4.350 -0.001 0.000 0.277 625 T C 1.004 175.561 174.700 -0.239 0.000 1.000 625 T CA -0.900 61.161 62.100 -0.065 0.000 0.982 625 T CB 1.171 70.017 68.868 -0.037 0.000 1.249 625 T HN 0.232 nan 8.240 nan 0.000 0.589 626 D N 0.418 120.705 120.400 -0.188 0.000 2.224 626 D HA 0.199 4.839 4.640 -0.001 0.000 0.205 626 D C 0.879 176.994 176.300 -0.309 0.000 0.965 626 D CA 1.098 54.981 54.000 -0.194 0.000 0.852 626 D CB -0.166 40.572 40.800 -0.102 0.000 0.947 626 D HN 0.826 nan 8.370 nan 0.000 0.494 627 G N -0.642 107.893 108.800 -0.443 0.000 2.746 627 G HA2 0.496 4.455 3.960 -0.001 0.000 0.297 627 G HA3 0.496 4.455 3.960 -0.001 0.000 0.297 627 G C -1.340 173.204 174.900 -0.594 0.000 1.426 627 G CA -0.688 44.125 45.100 -0.479 0.000 0.989 627 G HN 0.027 nan 8.290 nan 0.000 0.520 628 H N 1.324 120.406 119.070 0.021 0.000 2.928 628 H HA 0.512 5.067 4.556 -0.001 0.000 0.371 628 H C -0.428 174.979 175.328 0.133 0.000 1.186 628 H CA -0.685 55.397 56.048 0.057 0.000 1.134 628 H CB 2.525 32.294 29.762 0.013 0.000 1.824 628 H HN 0.409 nan 8.280 nan 0.000 0.554 629 F N 0.851 120.893 119.950 0.154 0.000 2.324 629 F HA 0.092 4.618 4.527 -0.001 0.000 0.260 629 F C 0.833 176.770 175.800 0.227 0.000 1.073 629 F CA 0.694 58.784 58.000 0.150 0.000 1.073 629 F CB 0.343 39.406 39.000 0.106 0.000 1.114 629 F HN 0.514 nan 8.300 nan 0.000 0.588 630 H N 1.958 121.041 119.070 0.021 0.000 2.439 630 H HA 0.345 4.901 4.556 -0.001 0.000 0.239 630 H C -2.385 173.026 175.328 0.138 0.000 1.432 630 H CA -2.149 53.891 56.048 -0.014 0.000 1.373 630 H CB 0.234 30.109 29.762 0.187 0.000 1.463 630 H HN 0.068 nan 8.280 nan 0.000 0.530 631 P HA -0.009 nan 4.420 nan 0.000 0.235 631 P C -0.380 176.915 177.300 -0.008 0.000 1.670 631 P CA 0.323 63.415 63.100 -0.013 0.000 1.017 631 P CB -0.336 31.288 31.700 -0.127 0.000 1.945 632 S N 1.902 117.666 115.700 0.107 0.000 2.437 632 S HA 0.503 4.973 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 0.145 0.000 1.099 632 S CB 0.271 63.631 63.200 0.266 0.000 1.004 632 S HN -0.025 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 4.172 4.340 -0.001 0.000 0.211 634 L C 2.067 179.004 176.870 0.112 0.000 1.089 634 L CA 1.571 56.475 54.840 0.107 0.000 0.757 634 L CB -0.417 41.691 42.059 0.082 0.000 0.899 634 L HN 0.489 nan 8.230 nan 0.000 0.434 635 M N -0.862 118.800 119.600 0.103 0.000 2.619 635 M HA 0.140 4.620 4.480 -0.001 0.000 0.251 635 M C 0.727 177.114 176.300 0.144 0.000 1.106 635 M CA 0.505 55.870 55.300 0.109 0.000 1.086 635 M CB -0.019 32.629 32.600 0.080 0.000 1.465 635 M HN 0.336 nan 8.290 nan 0.000 0.506 636 G N -0.141 108.738 108.800 0.132 0.000 2.674 636 G HA2 0.291 4.251 3.960 -0.001 0.000 0.686 636 G HA3 0.291 4.251 3.960 -0.001 0.000 0.686 636 G C -0.366 174.578 174.900 0.075 0.000 1.195 636 G CA -0.628 44.543 45.100 0.119 0.000 0.776 636 G HN 0.733 nan 8.290 nan 0.000 0.654 637 G N -0.547 108.227 108.800 -0.042 0.000 2.297 637 G HA2 0.452 4.411 3.960 -0.001 0.000 0.209 637 G HA3 0.452 4.411 3.960 -0.001 0.000 0.209 637 G C -0.649 174.079 174.900 -0.286 0.000 1.267 637 G CA -0.081 44.905 45.100 -0.191 0.000 1.127 637 G HN 1.624 nan 8.290 nan 0.000 0.498 638 F N 1.965 122.055 119.950 0.235 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 0.070 58.181 58.000 0.185 0.000 1.056 638 F CB 2.014 41.114 39.000 0.166 0.000 1.155 638 F HN 0.712 nan 8.300 nan 0.000 0.461 639 G N 5.182 114.137 108.800 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 -0.417 44.774 45.100 0.151 0.000 0.941 639 G HN 0.579 nan 8.290 nan 0.000 0.445 640 L N 3.118 124.402 121.223 0.101 0.000 2.356 640 L HA 0.360 4.699 4.340 -0.001 0.000 0.277 640 L C 1.157 177.947 176.870 -0.133 0.000 0.996 640 L CA -1.114 53.749 54.840 0.038 0.000 0.822 640 L CB 2.217 44.350 42.059 0.125 0.000 1.256 640 L HN 0.424 nan 8.230 nan 0.000 0.413 641 K N 1.038 121.313 120.400 -0.208 0.000 2.026 641 K HA -0.034 4.285 4.320 -0.001 0.000 0.208 641 K C 0.324 176.467 176.600 -0.761 0.000 1.048 641 K CA 1.351 57.356 56.287 -0.469 0.000 0.929 641 K CB 0.044 32.267 32.500 -0.462 0.000 0.713 641 K HN 0.540 nan 8.250 nan 0.000 0.439 642 H N 0.581 119.526 119.070 -0.208 0.000 2.645 642 H HA 0.312 4.867 4.556 -0.001 0.000 0.257 642 H C -2.414 172.915 175.328 0.001 0.000 1.269 642 H CA -2.230 53.667 56.048 -0.253 0.000 1.409 642 H CB 1.150 30.910 29.762 -0.003 0.000 1.434 642 H HN 0.058 nan 8.280 nan 0.000 0.505 643 P HA 0.195 nan 4.420 nan 0.000 0.281 643 P C -2.647 174.447 177.300 -0.343 0.000 1.264 643 P CA -2.154 60.843 63.100 -0.171 0.000 0.824 643 P CB 0.269 31.895 31.700 -0.124 0.000 1.092 644 P HA -0.031 nan 4.420 nan 0.000 0.251 644 P C -2.007 175.097 177.300 -0.327 0.000 1.154 644 P CA -0.082 62.318 63.100 -1.166 0.000 0.805 644 P CB -1.277 29.737 31.700 -1.144 0.000 0.759 645 P HA -0.072 nan 4.420 nan 0.000 0.270 645 P C -0.307 176.862 177.300 -0.218 0.000 1.221 645 P CA 0.288 63.283 63.100 -0.176 0.000 0.788 645 P CB 0.656 32.129 31.700 -0.379 0.000 0.904 646 Q N 0.501 120.144 119.800 -0.262 0.000 2.286 646 Q HA 0.343 4.683 4.340 -0.001 0.000 0.257 646 Q C -0.458 175.202 176.000 -0.568 0.000 0.941 646 Q CA -0.386 55.175 55.803 -0.404 0.000 0.912 646 Q CB 0.290 28.741 28.738 -0.479 0.000 1.192 646 Q HN 0.314 nan 8.270 nan 0.000 0.410 647 I N 3.114 123.384 120.570 -0.500 0.000 2.307 647 I HA 0.198 4.368 4.170 -0.001 0.000 0.289 647 I C -0.418 175.454 176.117 -0.410 0.000 1.021 647 I CA -0.147 60.812 61.300 -0.569 0.000 1.224 647 I CB 0.801 38.399 38.000 -0.670 0.000 1.376 647 I HN 0.499 nan 8.210 nan 0.000 0.470 648 M N 6.648 125.840 119.600 -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 -0.058 0.000 1.166 648 M CA -0.355 54.662 55.300 -0.472 0.000 1.067 648 M CB 1.440 33.410 32.600 -1.050 0.000 1.523 648 M HN 0.494 nan 8.290 nan 0.000 0.467 649 I N 2.265 122.968 120.570 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 0.048 0.000 1.287 649 I CA -0.234 61.148 61.300 0.138 0.000 1.029 649 I CB 1.694 39.656 38.000 -0.063 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 -0.203 0.000 2.598 650 K HA 0.548 4.868 4.320 -0.001 0.000 0.271 650 K C -2.010 174.413 176.600 -0.295 0.000 0.947 650 K CA -0.698 55.337 56.287 -0.419 0.000 0.854 650 K CB 0.610 32.427 32.500 -1.137 0.000 1.401 650 K HN 0.326 nan 8.250 nan 0.000 0.415 651 N N 1.189 119.782 118.700 -0.179 0.000 2.442 651 N HA 0.177 4.917 4.740 -0.001 0.000 0.265 651 N C -0.870 174.564 175.510 -0.127 0.000 1.138 651 N CA -0.317 52.680 53.050 -0.089 0.000 0.956 651 N CB 1.086 39.568 38.487 -0.008 0.000 1.067 651 N HN 0.655 nan 8.380 nan 0.000 0.474 652 T N 4.070 118.551 114.554 -0.122 0.000 2.829 652 T HA 0.100 4.450 4.350 -0.001 0.000 0.293 652 T C -2.188 172.391 174.700 -0.202 0.000 0.970 652 T CA -0.595 61.414 62.100 -0.151 0.000 1.168 652 T CB 0.074 68.888 68.868 -0.090 0.000 0.911 652 T HN 0.285 nan 8.240 nan 0.000 0.535 653 P HA 0.137 nan 4.420 nan 0.000 0.263 653 P C -0.819 176.260 177.300 -0.367 0.000 1.195 653 P CA -0.141 62.495 63.100 -0.773 0.000 0.762 653 P CB 0.378 31.418 31.700 -1.101 0.000 0.799 654 V N 7.252 127.050 119.914 -0.194 0.000 2.334 654 V HA 0.266 4.386 4.120 -0.001 0.000 0.281 654 V C -2.110 174.115 176.094 0.217 0.000 1.016 654 V CA -2.158 60.149 62.300 0.011 0.000 0.832 654 V CB 1.458 33.298 31.823 0.027 0.000 0.999 654 V HN 0.454 nan 8.190 nan 0.000 0.439 655 P HA 0.139 nan 4.420 nan 0.000 0.263 655 P C 0.237 177.628 177.300 0.152 0.000 1.195 655 P CA 0.457 63.626 63.100 0.114 0.000 0.762 655 P CB 0.687 32.202 31.700 -0.310 0.000 0.799 656 A N 4.368 127.319 122.820 0.218 0.000 2.404 656 A HA 0.035 4.355 4.320 -0.001 0.000 0.258 656 A C 0.724 178.401 177.584 0.155 0.000 1.644 656 A CA -0.053 52.077 52.037 0.155 0.000 0.847 656 A CB -0.349 18.719 19.000 0.114 0.000 1.473 656 A HN 0.596 nan 8.150 nan 0.000 0.602 657 N N 0.804 119.567 118.700 0.105 0.000 2.470 657 N HA 0.300 5.040 4.740 -0.001 0.000 0.268 657 N C -2.606 172.973 175.510 0.115 0.000 1.136 657 N CA -0.884 52.221 53.050 0.091 0.000 0.961 657 N CB 0.311 38.827 38.487 0.048 0.000 1.067 657 N HN 0.235 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 0.170 0.000 0.844 658 P CB 0.290 32.123 31.700 0.221 0.000 1.068 659 P HA 0.230 nan 4.420 nan 0.000 0.277 659 P C 0.531 177.862 177.300 0.052 0.000 1.240 659 P CA -0.204 62.910 63.100 0.023 0.000 0.798 659 P CB 0.335 32.026 31.700 -0.015 0.000 0.979 660 T N -1.234 113.345 114.554 0.042 0.000 3.035 660 T HA -0.028 4.322 4.350 -0.001 0.000 0.268 660 T C 0.911 175.652 174.700 0.068 0.000 1.109 660 T CA 1.242 63.373 62.100 0.052 0.000 1.119 660 T CB -0.203 68.687 68.868 0.037 0.000 0.900 660 T HN 0.477 nan 8.240 nan 0.000 0.503 661 T N 1.032 115.624 114.554 0.063 0.000 2.867 661 T HA 0.486 4.835 4.350 -0.001 0.000 0.282 661 T C -0.739 174.035 174.700 0.123 0.000 1.000 661 T CA -0.972 61.181 62.100 0.087 0.000 1.042 661 T CB 0.255 69.154 68.868 0.051 0.000 0.973 661 T HN 0.132 nan 8.240 nan 0.000 0.465 662 F N 4.254 124.216 119.950 0.021 0.000 2.484 662 F HA 0.494 5.021 4.527 -0.001 0.000 0.360 662 F C 0.331 176.145 175.800 0.023 0.000 1.101 662 F CA -0.047 57.970 58.000 0.029 0.000 1.251 662 F CB 0.643 39.661 39.000 0.029 0.000 1.132 662 F HN 0.448 nan 8.300 nan 0.000 0.570 663 S N 6.923 122.117 115.700 -0.843 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 -1.282 56.499 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 0.224 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 63.049 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 0.908 123.626 122.820 -0.170 0.000 2.531 665 A HA 0.029 4.348 4.320 -0.001 0.000 0.236 665 A C 0.578 178.131 177.584 -0.053 0.000 1.062 665 A CA -0.212 51.765 52.037 -0.100 0.000 0.760 665 A CB -0.303 18.621 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 -0.825 175.809 176.600 0.057 0.000 0.993 666 K CA 0.236 56.568 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 2.989 122.941 119.950 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 0.764 58.704 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 3.071 125.685 122.820 -0.343 0.000 2.704 668 A HA 0.181 4.500 4.320 -0.001 0.000 0.260 668 A C 0.130 177.475 177.584 -0.397 0.000 1.144 668 A CA 0.025 51.943 52.037 -0.199 0.000 0.985 668 A CB -0.123 18.863 19.000 -0.025 0.000 1.256 668 A HN 0.480 nan 8.150 nan 0.000 0.598 669 S N 0.715 116.010 115.700 -0.676 0.000 2.466 669 S HA 0.712 5.182 4.470 -0.001 0.000 0.313 669 S C -0.951 173.453 174.600 -0.326 0.000 1.078 669 S CA -0.338 57.625 58.200 -0.394 0.000 1.115 669 S CB -0.543 62.446 63.200 -0.351 0.000 1.006 669 S HN 0.202 nan 8.310 nan 0.000 0.487 670 F N 3.053 123.131 119.950 0.213 0.000 2.556 670 F HA 0.571 5.098 4.527 -0.001 0.000 0.327 670 F C 0.440 176.328 175.800 0.146 0.000 1.059 670 F CA -1.277 56.841 58.000 0.195 0.000 0.953 670 F CB 1.194 40.319 39.000 0.208 0.000 1.227 670 F HN 0.283 nan 8.300 nan 0.000 0.478 671 I N 1.501 122.264 120.570 0.322 0.000 2.471 671 I HA 0.113 4.282 4.170 -0.001 0.000 0.286 671 I C 0.349 176.590 176.117 0.207 0.000 1.079 671 I CA -0.360 61.060 61.300 0.200 0.000 1.398 671 I CB 0.912 38.993 38.000 0.135 0.000 1.403 671 I HN 0.604 nan 8.210 nan 0.000 0.530 672 T N 4.491 119.139 114.554 0.157 0.000 2.814 672 T HA 0.395 4.745 4.350 -0.001 0.000 0.297 672 T C -0.381 174.390 174.700 0.119 0.000 0.956 672 T CA -0.639 61.540 62.100 0.133 0.000 1.123 672 T CB 0.767 69.692 68.868 0.094 0.000 0.902 672 T HN 0.732 nan 8.240 nan 0.000 0.528 673 Q N 2.306 122.178 119.800 0.120 0.000 2.472 673 Q HA 0.563 4.902 4.340 -0.001 0.000 0.281 673 Q C -1.774 174.305 176.000 0.132 0.000 0.997 673 Q CA -1.355 54.506 55.803 0.097 0.000 0.828 673 Q CB 1.492 30.248 28.738 0.030 0.000 1.443 673 Q HN 0.863 nan 8.270 nan 0.000 0.390 674 Y N -1.142 119.149 120.300 -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 1.071 116.831 115.700 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 0.142 0.000 1.093 675 S CA -0.460 57.790 58.200 0.083 0.000 1.017 675 S CB 1.940 65.279 63.200 0.233 0.000 1.077 675 S HN 1.073 nan 8.310 nan 0.000 0.517 676 T N -0.448 114.010 114.554 -0.159 0.000 2.853 676 T HA 0.760 5.110 4.350 -0.001 0.000 0.311 676 T C -0.346 173.659 174.700 -1.158 0.000 1.307 676 T CA 0.269 61.950 62.100 -0.699 0.000 1.019 676 T CB 1.059 69.721 68.868 -0.344 0.000 1.264 676 T HN 1.736 nan 8.240 nan 0.000 0.497 677 G N 1.797 109.450 108.800 -1.912 0.000 2.325 677 G HA2 0.493 4.453 3.960 -0.001 0.000 0.295 677 G HA3 0.493 4.453 3.960 -0.001 0.000 0.295 677 G C -2.091 172.012 174.900 -1.328 0.000 1.274 677 G CA -0.666 43.695 45.100 -1.232 0.000 0.857 677 G HN 0.768 nan 8.290 nan 0.000 0.499 678 Q N -1.350 118.046 119.800 -0.672 0.000 2.248 678 Q HA 0.757 5.097 4.340 -0.001 0.000 0.263 678 Q C -0.570 175.211 176.000 -0.366 0.000 1.007 678 Q CA -0.729 54.720 55.803 -0.590 0.000 0.877 678 Q CB 2.538 30.788 28.738 -0.815 0.000 1.315 678 Q HN 0.973 nan 8.270 nan 0.000 0.454 679 V N 0.206 120.032 119.914 -0.147 0.000 2.841 679 V HA 0.830 4.950 4.120 -0.001 0.000 0.310 679 V C -1.594 174.398 176.094 -0.170 0.000 1.090 679 V CA -0.317 61.874 62.300 -0.182 0.000 0.930 679 V CB 2.343 34.115 31.823 -0.085 0.000 1.014 679 V HN 0.692 nan 8.190 nan 0.000 0.425 680 S N 4.309 119.896 115.700 -0.188 0.000 2.557 680 S HA 0.817 5.287 4.470 -0.001 0.000 0.291 680 S C -1.476 172.955 174.600 -0.281 0.000 1.116 680 S CA -0.453 57.665 58.200 -0.136 0.000 0.992 680 S CB 1.595 64.834 63.200 0.064 0.000 1.028 680 S HN 0.877 nan 8.310 nan 0.000 0.484 681 V N 4.955 124.734 119.914 -0.224 0.000 2.443 681 V HA 0.498 4.618 4.120 -0.001 0.000 0.293 681 V C -0.233 175.783 176.094 -0.129 0.000 1.021 681 V CA -0.651 61.513 62.300 -0.227 0.000 0.848 681 V CB 1.480 33.023 31.823 -0.467 0.000 0.998 681 V HN 0.902 nan 8.190 nan 0.000 0.424 682 E N 5.477 125.613 120.200 -0.107 0.000 2.151 682 E HA 0.651 5.001 4.350 -0.001 0.000 0.275 682 E C -1.425 175.126 176.600 -0.082 0.000 0.936 682 E CA -0.520 55.829 56.400 -0.086 0.000 0.777 682 E CB 1.424 31.059 29.700 -0.109 0.000 1.108 682 E HN 0.647 nan 8.360 nan 0.000 0.401 683 I N 3.533 124.058 120.570 -0.075 0.000 2.498 683 I HA 0.269 4.439 4.170 -0.001 0.000 0.290 683 I C -0.219 175.767 176.117 -0.219 0.000 1.032 683 I CA -0.801 60.398 61.300 -0.167 0.000 1.073 683 I CB 2.063 39.912 38.000 -0.251 0.000 1.251 683 I HN 0.555 nan 8.210 nan 0.000 0.426 684 E N 5.221 125.241 120.200 -0.301 0.000 2.231 684 E HA 0.372 4.722 4.350 -0.001 0.000 0.277 684 E C -1.934 174.427 176.600 -0.399 0.000 0.999 684 E CA -0.583 55.693 56.400 -0.207 0.000 0.827 684 E CB 1.301 30.929 29.700 -0.120 0.000 1.101 684 E HN 0.405 nan 8.360 nan 0.000 0.393 685 W N 2.735 124.025 121.300 -0.017 0.000 2.683 685 W HA 0.287 4.947 4.660 -0.001 0.000 0.329 685 W C -0.201 176.364 176.519 0.076 0.000 1.037 685 W CA -0.701 56.675 57.345 0.052 0.000 1.232 685 W CB 1.250 30.804 29.460 0.157 0.000 1.390 685 W HN 0.459 nan 8.180 nan 0.000 0.465 686 E N 3.252 123.601 120.200 0.248 0.000 2.331 686 E HA 0.474 4.823 4.350 -0.001 0.000 0.272 686 E C -0.902 175.977 176.600 0.464 0.000 1.036 686 E CA -0.285 56.269 56.400 0.258 0.000 0.864 686 E CB 0.824 30.599 29.700 0.126 0.000 1.035 686 E HN 0.461 nan 8.360 nan 0.000 0.408 687 L N 3.297 124.798 121.223 0.463 0.000 2.342 687 L HA 0.362 4.701 4.340 -0.001 0.000 0.271 687 L C -0.298 176.811 176.870 0.399 0.000 1.008 687 L CA -0.764 54.376 54.840 0.501 0.000 0.818 687 L CB 1.922 44.200 42.059 0.365 0.000 1.296 687 L HN 0.546 nan 8.230 nan 0.000 0.427 688 Q N 3.100 123.065 119.800 0.275 0.000 2.394 688 Q HA 0.251 4.591 4.340 -0.001 0.000 0.259 688 Q C -0.824 175.182 176.000 0.010 0.000 1.021 688 Q CA -0.786 54.981 55.803 -0.060 0.000 0.805 688 Q CB 1.164 29.619 28.738 -0.471 0.000 1.226 688 Q HN 0.342 nan 8.270 nan 0.000 0.476 689 K N 1.837 122.200 120.400 -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 -0.005 56.187 56.287 -0.159 0.000 0.910 689 K CB 0.659 33.076 32.500 -0.139 0.000 0.994 689 K HN 0.656 nan 8.250 nan 0.000 0.495 690 E N 1.985 121.818 120.200 -0.612 0.000 2.200 690 E HA 0.035 4.384 4.350 -0.001 0.000 0.283 690 E C -1.018 175.004 176.600 -0.963 0.000 1.015 690 E CA -0.206 55.413 56.400 -1.302 0.000 0.819 690 E CB 0.556 29.625 29.700 -1.051 0.000 1.081 690 E HN 0.356 nan 8.360 nan 0.000 0.397 691 N N 2.949 121.014 118.700 -1.057 0.000 2.762 691 N HA 0.116 4.855 4.740 -0.001 0.000 0.252 691 N C -1.841 173.568 175.510 -0.169 0.000 1.269 691 N CA -0.222 52.576 53.050 -0.419 0.000 0.799 691 N CB 0.969 39.320 38.487 -0.228 0.000 1.173 691 N HN 0.232 nan 8.380 nan 0.000 0.516 692 S N 1.101 116.711 115.700 -0.151 0.000 2.513 692 S HA 0.444 4.914 4.470 -0.001 0.000 0.299 692 S C 0.062 174.683 174.600 0.036 0.000 1.087 692 S CA -0.616 57.626 58.200 0.070 0.000 1.012 692 S CB 0.670 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 2.365 122.812 120.400 0.079 0.000 2.493 693 K HA 0.156 4.476 4.320 -0.001 0.000 0.207 693 K C 0.267 176.943 176.600 0.125 0.000 1.033 693 K CA -0.264 56.073 56.287 0.084 0.000 1.161 693 K CB -0.132 32.419 32.500 0.085 0.000 0.873 693 K HN 0.555 nan 8.250 nan 0.000 0.491 694 R N 0.964 121.536 120.500 0.119 0.000 2.502 694 R HA -0.108 4.232 4.340 -0.001 0.000 0.292 694 R C 1.082 177.473 176.300 0.152 0.000 0.998 694 R CA 0.235 56.419 56.100 0.140 0.000 1.056 694 R CB 0.068 30.440 30.300 0.121 0.000 0.939 694 R HN 0.296 nan 8.270 nan 0.000 0.411 695 W N 5.831 127.145 121.300 0.024 0.000 2.452 695 W HA -0.091 4.568 4.660 -0.001 0.000 0.313 695 W C -0.102 176.426 176.519 0.015 0.000 1.176 695 W CA 1.127 58.480 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 2.064 120.886 118.700 0.204 0.000 2.444 696 N HA 0.090 4.829 4.740 -0.001 0.000 0.255 696 N C -2.700 172.814 175.510 0.006 0.000 1.255 696 N CA -1.051 52.051 53.050 0.086 0.000 0.933 696 N CB -0.613 37.973 38.487 0.165 0.000 1.143 696 N HN -0.103 nan 8.380 nan 0.000 0.453 697 P HA 0.077 nan 4.420 nan 0.000 0.267 697 P C -0.197 177.121 177.300 0.029 0.000 1.200 697 P CA 0.270 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 1.346 121.571 120.200 0.042 0.000 2.292 698 E HA 0.366 4.716 4.350 -0.001 0.000 0.258 698 E C 0.289 176.942 176.600 0.088 0.000 1.115 698 E CA -0.995 55.452 56.400 0.078 0.000 0.929 698 E CB 0.810 30.576 29.700 0.110 0.000 1.161 698 E HN 0.439 nan 8.360 nan 0.000 0.453 699 I N -1.203 119.437 120.570 0.117 0.000 2.519 699 I HA 0.197 4.367 4.170 -0.001 0.000 0.287 699 I C -0.350 175.927 176.117 0.267 0.000 1.047 699 I CA -0.485 60.906 61.300 0.151 0.000 1.381 699 I CB 0.651 38.721 38.000 0.117 0.000 1.417 699 I HN 0.169 nan 8.210 nan 0.000 0.540 700 Q N 4.684 124.635 119.800 0.251 0.000 2.394 700 Q HA 0.303 4.643 4.340 -0.001 0.000 0.273 700 Q C -1.405 174.732 176.000 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 1.000 121.191 120.300 -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 0.864 58.871 58.100 -0.155 0.000 1.331 701 Y CB 0.989 39.124 38.460 -0.542 0.000 1.253 701 Y HN 0.616 nan 8.280 nan 0.000 0.529 702 T N 3.633 117.782 114.554 -0.675 0.000 2.840 702 T HA 0.433 4.782 4.350 -0.001 0.000 0.317 702 T C -1.240 173.224 174.700 -0.394 0.000 1.401 702 T CA -0.753 61.151 62.100 -0.328 0.000 1.028 702 T CB 0.869 69.663 68.868 -0.122 0.000 1.317 702 T HN 0.613 nan 8.240 nan 0.000 0.495 703 S N 2.052 117.698 115.700 -0.090 0.000 2.586 703 S HA 0.377 4.847 4.470 -0.001 0.000 0.274 703 S C 0.104 174.730 174.600 0.043 0.000 1.281 703 S CA -0.630 57.576 58.200 0.009 0.000 1.035 703 S CB 0.183 63.446 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 0.649 176.205 175.510 0.077 0.000 1.235 704 N CA -0.126 52.965 53.050 0.068 0.000 0.934 704 N CB 0.171 38.660 38.487 0.002 0.000 1.121 704 N HN 0.755 nan 8.380 nan 0.000 0.480 705 Y N 1.094 121.392 120.300 -0.004 0.000 2.639 705 Y HA 0.080 4.629 4.550 -0.001 0.000 0.297 705 Y C 0.062 175.964 175.900 0.004 0.000 1.151 705 Y CA -0.515 57.587 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 -0.604 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 -0.230 0.000 1.271 706 N CA -0.200 52.526 53.050 -0.540 0.000 0.913 706 N CB 0.514 38.746 38.487 -0.425 0.000 1.129 706 N HN 0.318 nan 8.380 nan 0.000 0.444 707 K N 0.555 120.850 120.400 -0.175 0.000 2.453 707 K HA 0.003 4.323 4.320 -0.001 0.000 0.280 707 K C -0.304 176.250 176.600 -0.077 0.000 1.045 707 K CA 0.362 56.593 56.287 -0.092 0.000 1.059 707 K CB 0.216 32.673 32.500 -0.071 0.000 0.901 707 K HN 0.453 nan 8.250 nan 0.000 0.475 708 S N 2.787 118.455 115.700 -0.052 0.000 2.599 708 S HA 0.328 4.798 4.470 -0.001 0.000 0.294 708 S C 0.843 175.423 174.600 -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 3.236 123.129 119.914 -0.034 0.000 2.238 709 V HA -0.009 4.111 4.120 -0.001 0.000 0.235 709 V C 0.797 176.874 176.094 -0.029 0.000 1.037 709 V CA 1.484 63.765 62.300 -0.032 0.000 0.991 709 V CB -0.865 30.935 31.823 -0.037 0.000 0.638 709 V HN 0.837 nan 8.190 nan 0.000 0.457 710 N N -0.896 117.783 118.700 -0.036 0.000 2.472 710 N HA 0.477 5.216 4.740 -0.001 0.000 0.289 710 N C -1.030 174.465 175.510 -0.026 0.000 1.156 710 N CA -0.601 52.427 53.050 -0.036 0.000 0.940 710 N CB 1.970 40.422 38.487 -0.058 0.000 1.200 710 N HN 0.084 nan 8.380 nan 0.000 0.511 711 V N 1.382 121.291 119.914 -0.009 0.000 2.530 711 V HA 0.043 4.163 4.120 -0.001 0.000 0.282 711 V C -0.064 176.043 176.094 0.020 0.000 1.048 711 V CA -0.432 61.882 62.300 0.024 0.000 0.997 711 V CB 0.760 32.617 31.823 0.056 0.000 0.987 711 V HN 0.615 nan 8.190 nan 0.000 0.477 712 D N 4.656 125.090 120.400 0.058 0.000 2.531 712 D HA 0.105 4.745 4.640 -0.001 0.000 0.239 712 D C 0.110 176.534 176.300 0.206 0.000 1.144 712 D CA 0.681 54.715 54.000 0.057 0.000 0.869 712 D CB 0.013 40.938 40.800 0.208 0.000 1.160 712 D HN 0.484 nan 8.370 nan 0.000 0.484 713 F N 0.021 119.921 119.950 -0.082 0.000 2.563 713 F HA -0.266 4.261 4.527 -0.001 0.000 0.351 713 F C 0.314 176.095 175.800 -0.032 0.000 1.086 713 F CA 0.351 58.265 58.000 -0.143 0.000 1.174 713 F CB -1.737 37.302 39.000 0.066 0.000 1.590 713 F HN 0.165 nan 8.300 nan 0.000 0.808 714 T N -0.761 113.723 114.554 -0.117 0.000 2.786 714 T HA 0.608 4.957 4.350 -0.001 0.000 0.316 714 T C -0.174 174.456 174.700 -0.116 0.000 1.503 714 T CA -0.463 61.651 62.100 0.023 0.000 1.019 714 T CB 1.930 70.826 68.868 0.046 0.000 1.415 714 T HN 0.495 nan 8.240 nan 0.000 0.496 715 V N 0.358 120.211 119.914 -0.101 0.000 3.185 715 V HA 0.637 4.757 4.120 -0.001 0.000 0.305 715 V C 0.234 176.274 176.094 -0.091 0.000 1.090 715 V CA -0.374 61.841 62.300 -0.141 0.000 1.107 715 V CB 0.396 32.111 31.823 -0.181 0.000 1.061 715 V HN 0.996 nan 8.190 nan 0.000 0.480 716 D N 1.081 121.431 120.400 -0.082 0.000 2.509 716 D HA 0.243 4.883 4.640 -0.001 0.000 0.275 716 D C 1.392 177.668 176.300 -0.040 0.000 1.189 716 D CA 0.360 54.323 54.000 -0.061 0.000 1.098 716 D CB -0.252 40.508 40.800 -0.067 0.000 1.177 716 D HN 0.688 nan 8.370 nan 0.000 0.599 717 T N -2.973 111.561 114.554 -0.033 0.000 2.962 717 T HA -0.121 4.229 4.350 -0.001 0.000 0.270 717 T C 0.684 175.373 174.700 -0.018 0.000 1.088 717 T CA 1.273 63.359 62.100 -0.022 0.000 1.127 717 T CB -0.769 68.086 68.868 -0.021 0.000 0.883 717 T HN 0.543 nan 8.240 nan 0.000 0.493 718 N N 0.254 118.941 118.700 -0.021 0.000 2.291 718 N HA 0.413 5.152 4.740 -0.001 0.000 0.244 718 N C 0.715 176.217 175.510 -0.013 0.000 1.216 718 N CA -0.166 52.876 53.050 -0.014 0.000 0.879 718 N CB 0.292 38.771 38.487 -0.013 0.000 1.167 718 N HN 0.498 nan 8.380 nan 0.000 0.515 719 G N -0.127 108.660 108.800 -0.022 0.000 2.470 719 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.286 719 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.286 719 G C -0.938 173.945 174.900 -0.028 0.000 1.115 719 G CA -0.004 45.083 45.100 -0.023 0.000 1.122 719 G HN 0.342 nan 8.290 nan 0.000 0.522 720 V N 1.900 121.782 119.914 -0.053 0.000 2.488 720 V HA 0.412 4.531 4.120 -0.001 0.000 0.293 720 V C 0.020 176.070 176.094 -0.074 0.000 1.027 720 V CA -1.343 60.932 62.300 -0.042 0.000 0.862 720 V CB 1.513 33.315 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 -0.221 0.000 2.511 721 Y HA 0.461 5.011 4.550 -0.001 0.000 0.332 721 Y C 0.718 176.534 175.900 -0.141 0.000 1.177 721 Y CA 0.263 58.211 58.100 -0.254 0.000 1.422 721 Y CB 1.014 39.300 38.460 -0.291 0.000 1.271 721 Y HN 0.729 nan 8.280 nan 0.000 0.550 722 S N 4.370 119.633 115.700 -0.729 0.000 2.619 722 S HA 0.413 4.882 4.470 -0.001 0.000 0.280 722 S C -1.506 172.641 174.600 -0.755 0.000 1.150 722 S CA -1.197 56.672 58.200 -0.552 0.000 0.978 722 S CB 1.404 64.397 63.200 -0.344 0.000 1.041 722 S HN 0.675 nan 8.310 nan 0.000 0.485 723 E N 3.093 122.958 120.200 -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 -0.593 0.000 1.045 723 E CA -2.002 54.037 56.400 -0.602 0.000 0.833 723 E CB 0.457 30.042 29.700 -0.191 0.000 1.077 723 E HN 0.355 nan 8.360 nan 0.000 0.397 724 P HA -0.216 nan 4.420 nan 0.000 0.208 724 P C 0.203 177.340 177.300 -0.273 0.000 1.180 724 P CA 1.520 64.323 63.100 -0.495 0.000 0.935 724 P CB 0.181 31.559 31.700 -0.537 0.000 0.785 725 R N -1.617 118.773 120.500 -0.184 0.000 2.892 725 R HA 0.616 4.956 4.340 -0.001 0.000 0.265 725 R C -2.950 173.405 176.300 0.092 0.000 1.025 725 R CA -2.323 53.786 56.100 0.014 0.000 0.982 725 R CB 0.100 30.474 30.300 0.123 0.000 1.185 725 R HN -0.139 nan 8.270 nan 0.000 0.484 726 P HA 0.198 nan 4.420 nan 0.000 0.274 726 P C -0.698 176.763 177.300 0.268 0.000 1.231 726 P CA -0.369 62.791 63.100 0.100 0.000 0.790 726 P CB 0.524 32.252 31.700 0.045 0.000 0.951 727 I N 1.880 122.645 120.570 0.325 0.000 2.382 727 I HA 0.302 4.471 4.170 -0.001 0.000 0.286 727 I C 1.168 177.644 176.117 0.599 0.000 1.002 727 I CA -0.313 61.215 61.300 0.379 0.000 1.135 727 I CB 0.751 38.848 38.000 0.161 0.000 1.288 727 I HN 0.418 nan 8.210 nan 0.000 0.448 728 G N 3.531 112.682 108.800 0.585 0.000 2.631 728 G HA2 0.223 4.182 3.960 -0.001 0.000 0.271 728 G HA3 0.223 4.182 3.960 -0.001 0.000 0.271 728 G C 0.545 175.615 174.900 0.283 0.000 1.302 728 G CA 0.146 45.461 45.100 0.358 0.000 1.002 728 G HN 0.577 nan 8.290 nan 0.000 0.519 729 T N -1.403 113.241 114.554 0.150 0.000 2.986 729 T HA 0.176 4.526 4.350 -0.001 0.000 0.264 729 T C 0.911 175.721 174.700 0.183 0.000 0.964 729 T CA -0.221 61.944 62.100 0.108 0.000 0.895 729 T CB 0.022 68.960 68.868 0.116 0.000 1.163 729 T HN 0.362 nan 8.240 nan 0.000 0.517 730 R N 1.205 121.801 120.500 0.160 0.000 2.391 730 R HA 0.344 4.684 4.340 -0.001 0.000 0.310 730 R C -0.592 175.744 176.300 0.059 0.000 1.174 730 R CA -0.168 55.963 56.100 0.051 0.000 1.118 730 R CB 0.376 30.613 30.300 -0.105 0.000 1.134 730 R HN 0.327 nan 8.270 nan 0.000 0.524 731 Y N 0.598 120.923 120.300 0.040 0.000 2.452 731 Y HA 0.238 4.787 4.550 -0.001 0.000 0.262 731 Y C 0.463 176.418 175.900 0.092 0.000 1.089 731 Y CA -0.068 58.076 58.100 0.073 0.000 1.262 731 Y CB 0.881 39.393 38.460 0.086 0.000 1.236 731 Y HN 0.245 nan 8.280 nan 0.000 0.512 732 L N 0.733 122.116 121.223 0.268 0.000 2.334 732 L HA 0.468 4.808 4.340 -0.001 0.000 0.275 732 L C 0.168 177.136 176.870 0.163 0.000 1.036 732 L CA -0.764 54.262 54.840 0.309 0.000 0.807 732 L CB 1.564 43.969 42.059 0.576 0.000 1.231 732 L HN 0.007 nan 8.230 nan 0.000 0.438 733 T N -0.234 114.420 114.554 0.167 0.000 2.794 733 T HA 0.573 4.922 4.350 -0.001 0.000 0.280 733 T C -0.414 174.219 174.700 -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 2.089 122.401 120.500 -0.312 0.000 2.807 734 R HA 0.477 4.816 4.340 -0.001 0.000 0.276 734 R C -0.728 175.502 176.300 -0.118 0.000 0.979 734 R CA -0.677 55.188 56.100 -0.392 0.000 0.928 734 R CB 1.446 31.113 30.300 -1.056 0.000 1.191 734 R HN 0.712 nan 8.270 nan 0.000 0.471 735 N N 0.954 119.623 118.700 -0.052 0.000 2.374 735 N HA 0.344 5.084 4.740 -0.001 0.000 0.284 735 N C -0.218 175.323 175.510 0.052 0.000 1.280 735 N CA -0.269 52.796 53.050 0.025 0.000 0.963 735 N CB 0.325 38.820 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