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_K 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 1.704 124.544 122.820 0.033 0.000 2.476 218 A HA 0.808 5.127 4.320 -0.001 0.000 0.280 218 A C -1.073 176.530 177.584 0.032 0.000 1.081 218 A CA -0.539 51.520 52.037 0.038 0.000 0.753 218 A CB 1.563 20.582 19.000 0.032 0.000 1.248 218 A HN 0.515 nan 8.150 nan 0.000 0.424 219 D N 0.549 120.972 120.400 0.038 0.000 2.989 219 D HA 0.694 5.333 4.640 -0.001 0.000 0.284 219 D C 0.673 176.993 176.300 0.034 0.000 1.212 219 D CA 0.280 54.299 54.000 0.033 0.000 1.055 219 D CB 1.317 42.136 40.800 0.033 0.000 1.351 219 D HN 0.676 nan 8.370 nan 0.000 0.611 220 G N -0.707 108.112 108.800 0.031 0.000 2.828 220 G HA2 0.456 4.416 3.960 -0.001 0.000 0.244 220 G HA3 0.456 4.416 3.960 -0.001 0.000 0.244 220 G C 0.812 175.730 174.900 0.030 0.000 1.365 220 G CA -0.217 44.899 45.100 0.028 0.000 1.041 220 G HN 0.203 nan 8.290 nan 0.000 0.560 221 V N 0.473 120.400 119.914 0.023 0.000 2.273 221 V HA 0.109 4.229 4.120 -0.001 0.000 0.242 221 V C 2.376 178.482 176.094 0.020 0.000 1.035 221 V CA 1.857 64.169 62.300 0.020 0.000 1.013 221 V CB -0.664 31.167 31.823 0.014 0.000 0.652 221 V HN 0.732 nan 8.190 nan 0.000 0.452 222 G N 1.185 109.995 108.800 0.017 0.000 3.709 222 G HA2 0.234 4.193 3.960 -0.001 0.000 0.272 222 G HA3 0.234 4.193 3.960 -0.001 0.000 0.272 222 G C -0.121 174.791 174.900 0.020 0.000 1.259 222 G CA 0.011 45.120 45.100 0.015 0.000 1.512 222 G HN 0.426 nan 8.290 nan 0.000 0.625 223 N N 0.148 118.864 118.700 0.027 0.000 2.571 223 N HA 0.215 4.955 4.740 -0.001 0.000 0.286 223 N C -0.039 175.499 175.510 0.047 0.000 1.138 223 N CA -0.525 52.544 53.050 0.031 0.000 0.859 223 N CB 1.338 39.841 38.487 0.027 0.000 1.414 223 N HN 0.067 nan 8.380 nan 0.000 0.529 224 S N 1.653 117.385 115.700 0.053 0.000 2.544 224 S HA 0.035 4.504 4.470 -0.001 0.000 0.290 224 S C 0.883 175.536 174.600 0.088 0.000 1.276 224 S CA -0.107 58.143 58.200 0.084 0.000 1.075 224 S CB 0.381 63.635 63.200 0.089 0.000 0.849 224 S HN 0.562 nan 8.310 nan 0.000 0.494 225 S N 1.735 117.515 115.700 0.134 0.000 2.743 225 S HA 0.542 5.011 4.470 -0.001 0.000 0.230 225 S C 0.716 175.364 174.600 0.080 0.000 0.950 225 S CA -0.276 57.998 58.200 0.123 0.000 0.976 225 S CB -0.723 62.576 63.200 0.165 0.000 0.779 225 S HN 1.526 nan 8.310 nan 0.000 0.487 226 G N 0.295 109.102 108.800 0.010 0.000 2.340 226 G HA2 0.342 4.302 3.960 -0.001 0.000 0.298 226 G HA3 0.342 4.302 3.960 -0.001 0.000 0.298 226 G C -1.802 172.965 174.900 -0.221 0.000 1.498 226 G CA -1.090 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 -0.709 117.810 118.700 -0.302 0.000 2.471 227 N HA 0.427 5.167 4.740 -0.001 0.000 0.288 227 N C -0.780 174.728 175.510 -0.003 0.000 1.220 227 N CA -0.851 52.146 53.050 -0.087 0.000 0.893 227 N CB 1.999 40.387 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 -0.106 0.000 2.365 228 W HA 0.142 4.801 4.660 -0.001 0.000 0.371 228 W C -0.955 175.467 176.519 -0.162 0.000 1.006 228 W CA 0.002 57.340 57.345 -0.012 0.000 1.528 228 W CB -0.285 29.175 29.460 -0.000 0.000 1.497 228 W HN 0.458 nan 8.180 nan 0.000 0.367 229 H N 4.866 123.861 119.070 -0.125 0.000 2.787 229 H HA 0.181 4.736 4.556 -0.001 0.000 0.275 229 H C -0.190 175.022 175.328 -0.193 0.000 1.183 229 H CA -0.033 55.952 56.048 -0.105 0.000 1.290 229 H CB 1.088 30.776 29.762 -0.123 0.000 1.438 229 H HN 0.159 nan 8.280 nan 0.000 0.487 230 C N 4.468 123.771 119.300 0.006 0.000 2.547 230 C HA 0.354 4.813 4.460 -0.001 0.000 0.327 230 C C -0.887 174.147 174.990 0.073 0.000 1.076 230 C CA -0.358 58.661 59.018 0.002 0.000 1.390 230 C CB -0.411 27.346 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 -1.276 175.017 176.300 -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 0.626 nan 8.370 nan 0.000 0.421 232 S N 0.814 116.505 115.700 -0.015 0.000 2.603 232 S HA 0.725 5.194 4.470 -0.001 0.000 0.274 232 S C -1.460 173.105 174.600 -0.059 0.000 1.168 232 S CA -0.851 57.289 58.200 -0.100 0.000 0.963 232 S CB 1.721 64.807 63.200 -0.190 0.000 1.078 232 S HN 0.462 nan 8.310 nan 0.000 0.477 233 Q N 1.410 121.148 119.800 -0.104 0.000 2.458 233 Q HA 0.808 5.148 4.340 -0.001 0.000 0.282 233 Q C -1.675 174.266 176.000 -0.098 0.000 1.106 233 Q CA -0.592 55.224 55.803 0.023 0.000 0.814 233 Q CB 0.427 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 0.340 121.660 121.300 0.033 0.000 2.639 234 W HA 0.573 5.232 4.660 -0.001 0.000 0.347 234 W C -0.012 176.528 176.519 0.035 0.000 1.067 234 W CA -0.783 56.586 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 2.772 124.152 121.223 0.261 0.000 2.906 235 L HA 0.234 4.573 4.340 -0.001 0.000 0.255 235 L C 1.666 178.631 176.870 0.158 0.000 1.166 235 L CA 0.903 55.840 54.840 0.163 0.000 0.977 235 L CB -0.745 41.377 42.059 0.106 0.000 1.313 235 L HN 1.013 nan 8.230 nan 0.000 0.549 236 G N 1.078 110.007 108.800 0.216 0.000 2.480 236 G HA2 -0.446 3.513 3.960 -0.001 0.000 0.246 236 G HA3 -0.446 3.513 3.960 -0.001 0.000 0.246 236 G C 0.989 175.973 174.900 0.139 0.000 1.073 236 G CA 1.121 46.309 45.100 0.147 0.000 0.643 236 G HN 0.384 nan 8.290 nan 0.000 0.525 237 D N 0.355 120.838 120.400 0.138 0.000 2.388 237 D HA 0.189 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 1.175 55.252 54.000 0.129 0.000 0.875 237 D CB 0.190 41.045 40.800 0.092 0.000 0.984 237 D HN 0.864 nan 8.370 nan 0.000 0.508 238 R N -1.748 118.864 120.500 0.187 0.000 2.741 238 R HA 0.567 4.906 4.340 -0.001 0.000 0.276 238 R C -2.038 174.350 176.300 0.146 0.000 1.028 238 R CA -0.978 55.236 56.100 0.190 0.000 0.865 238 R CB 1.072 31.454 30.300 0.136 0.000 1.268 238 R HN -0.128 nan 8.270 nan 0.000 0.475 239 V N 1.630 121.597 119.914 0.087 0.000 2.686 239 V HA 0.565 4.685 4.120 -0.001 0.000 0.306 239 V C -1.576 174.487 176.094 -0.051 0.000 1.065 239 V CA -0.878 61.323 62.300 -0.166 0.000 0.894 239 V CB 1.956 33.356 31.823 -0.705 0.000 1.004 239 V HN 0.673 nan 8.190 nan 0.000 0.424 240 I N 5.594 126.081 120.570 -0.139 0.000 2.339 240 I HA 0.505 4.674 4.170 -0.001 0.000 0.290 240 I C 0.442 176.478 176.117 -0.135 0.000 0.994 240 I CA 0.070 61.331 61.300 -0.064 0.000 1.191 240 I CB 2.055 40.015 38.000 -0.066 0.000 1.343 240 I HN 0.783 nan 8.210 nan 0.000 0.458 241 T N 1.454 115.971 114.554 -0.061 0.000 2.756 241 T HA 0.596 4.946 4.350 -0.001 0.000 0.290 241 T C -0.069 174.602 174.700 -0.049 0.000 0.985 241 T CA -0.680 61.338 62.100 -0.137 0.000 0.955 241 T CB 0.519 69.237 68.868 -0.250 0.000 0.930 241 T HN 0.474 nan 8.240 nan 0.000 0.451 242 T N 2.899 117.417 114.554 -0.059 0.000 2.794 242 T HA 0.637 4.987 4.350 -0.001 0.000 0.280 242 T C -0.300 174.374 174.700 -0.042 0.000 0.987 242 T CA -0.737 61.336 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 1.932 117.595 115.700 -0.061 0.000 2.571 243 S HA 0.685 5.154 4.470 -0.001 0.000 0.284 243 S C -0.936 173.544 174.600 -0.199 0.000 1.128 243 S CA -0.537 57.606 58.200 -0.096 0.000 0.970 243 S CB 1.208 64.385 63.200 -0.037 0.000 1.039 243 S HN 0.665 nan 8.310 nan 0.000 0.485 244 T N 5.321 119.656 114.554 -0.365 0.000 2.881 244 T HA 0.665 5.015 4.350 -0.001 0.000 0.290 244 T C -0.959 173.361 174.700 -0.633 0.000 1.000 244 T CA -0.840 60.884 62.100 -0.628 0.000 0.978 244 T CB 1.090 69.239 68.868 -1.198 0.000 0.997 244 T HN 0.505 nan 8.240 nan 0.000 0.443 245 R N 1.233 121.568 120.500 -0.276 0.000 2.836 245 R HA 0.637 4.977 4.340 -0.001 0.000 0.269 245 R C -0.816 175.618 176.300 0.224 0.000 1.010 245 R CA -0.816 55.352 56.100 0.113 0.000 0.930 245 R CB 1.681 32.191 30.300 0.350 0.000 1.218 245 R HN 0.564 nan 8.270 nan 0.000 0.473 246 T N 2.616 117.359 114.554 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 -0.624 61.516 62.100 0.067 0.000 1.035 246 T CB 0.660 69.561 68.868 0.054 0.000 0.932 246 T HN 0.455 nan 8.240 nan 0.000 0.469 247 W N 0.669 121.810 121.300 -0.265 0.000 2.799 247 W HA 0.836 5.496 4.660 -0.001 0.000 0.349 247 W C -1.301 174.995 176.519 -0.372 0.000 1.100 247 W CA -1.716 55.196 57.345 -0.723 0.000 1.174 247 W CB 1.390 30.497 29.460 -0.589 0.000 1.427 247 W HN 0.730 nan 8.180 nan 0.000 0.547 248 A N 2.735 125.542 122.820 -0.022 0.000 2.414 248 A HA 0.761 5.081 4.320 -0.001 0.000 0.306 248 A C -2.197 175.508 177.584 0.202 0.000 1.054 248 A CA -0.759 51.341 52.037 0.106 0.000 0.724 248 A CB 1.979 20.963 19.000 -0.027 0.000 1.267 248 A HN 0.675 nan 8.150 nan 0.000 0.418 249 L N 3.675 125.070 121.223 0.286 0.000 2.404 249 L HA 0.689 5.029 4.340 -0.001 0.000 0.272 249 L C -2.682 174.239 176.870 0.086 0.000 0.980 249 L CA -1.585 53.352 54.840 0.162 0.000 0.836 249 L CB 2.124 44.275 42.059 0.152 0.000 1.238 249 L HN 0.443 nan 8.230 nan 0.000 0.408 250 P HA 0.374 nan 4.420 nan 0.000 0.293 250 P C -1.048 176.095 177.300 -0.262 0.000 1.304 250 P CA -0.419 62.541 63.100 -0.233 0.000 0.767 250 P CB 0.540 31.931 31.700 -0.515 0.000 1.247 251 T N 0.613 115.000 114.554 -0.279 0.000 2.762 251 T HA 0.320 4.670 4.350 -0.001 0.000 0.303 251 T C -0.362 174.131 174.700 -0.344 0.000 0.977 251 T CA 0.081 62.006 62.100 -0.292 0.000 0.961 251 T CB -0.847 67.805 68.868 -0.359 0.000 0.944 251 T HN 0.126 nan 8.240 nan 0.000 0.481 252 Y N 2.086 122.281 120.300 -0.175 0.000 2.301 252 Y HA 0.188 4.738 4.550 -0.001 0.000 0.328 252 Y C 1.684 177.498 175.900 -0.143 0.000 1.242 252 Y CA -0.213 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 1.941 120.697 118.700 0.092 0.000 2.650 253 N HA -0.395 4.345 4.740 -0.001 0.000 0.249 253 N C -0.365 175.138 175.510 -0.012 0.000 1.155 253 N CA 0.770 53.845 53.050 0.042 0.000 0.747 253 N CB -0.598 37.919 38.487 0.051 0.000 1.132 253 N HN 0.766 nan 8.380 nan 0.000 0.564 254 N N 0.171 118.809 118.700 -0.104 0.000 2.714 254 N HA -0.208 4.532 4.740 -0.001 0.000 0.253 254 N C -0.559 174.897 175.510 -0.089 0.000 1.024 254 N CA 2.032 55.000 53.050 -0.137 0.000 0.726 254 N CB -1.746 36.752 38.487 0.018 0.000 0.908 254 N HN 0.721 nan 8.380 nan 0.000 0.542 255 H N -2.727 116.297 119.070 -0.076 0.000 2.861 255 H HA -0.202 4.353 4.556 -0.001 0.000 0.289 255 H C -0.160 175.143 175.328 -0.042 0.000 1.176 255 H CA 1.212 57.165 56.048 -0.159 0.000 1.146 255 H CB -1.138 28.389 29.762 -0.392 0.000 1.330 255 H HN 0.352 nan 8.280 nan 0.000 0.379 256 L N 0.134 121.400 121.223 0.072 0.000 2.401 256 L HA 0.451 4.791 4.340 -0.001 0.000 0.266 256 L C -0.242 176.689 176.870 0.102 0.000 0.991 256 L CA -1.028 53.901 54.840 0.149 0.000 0.818 256 L CB 1.406 43.570 42.059 0.174 0.000 1.321 256 L HN 0.021 nan 8.230 nan 0.000 0.413 257 Y N 2.078 122.531 120.300 0.254 0.000 2.336 257 Y HA 0.323 4.873 4.550 -0.001 0.000 0.335 257 Y C 0.031 176.088 175.900 0.262 0.000 1.046 257 Y CA -0.162 58.125 58.100 0.312 0.000 1.198 257 Y CB 1.014 39.728 38.460 0.422 0.000 1.182 257 Y HN 0.284 nan 8.280 nan 0.000 0.502 258 K N 2.872 123.482 120.400 0.350 0.000 2.270 258 K HA 0.225 4.544 4.320 -0.001 0.000 0.255 258 K C -0.818 175.872 176.600 0.150 0.000 0.936 258 K CA -1.060 55.353 56.287 0.210 0.000 0.809 258 K CB 1.965 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 5.109 124.917 119.800 0.014 0.000 2.307 259 Q HA 0.195 4.534 4.340 -0.001 0.000 0.261 259 Q C -0.527 175.222 176.000 -0.418 0.000 1.051 259 Q CA -0.333 55.227 55.803 -0.404 0.000 0.911 259 Q CB 0.200 28.743 28.738 -0.324 0.000 1.227 259 Q HN 0.581 nan 8.270 nan 0.000 0.418 260 I N 1.029 121.259 120.570 -0.568 0.000 2.707 260 I HA 0.793 4.963 4.170 -0.001 0.000 0.309 260 I C -0.510 175.249 176.117 -0.598 0.000 1.001 260 I CA -0.727 60.343 61.300 -0.383 0.000 1.129 260 I CB 2.082 39.988 38.000 -0.156 0.000 1.308 260 I HN 0.693 nan 8.210 nan 0.000 0.466 261 S N 1.869 117.259 115.700 -0.517 0.000 2.661 261 S HA 0.469 4.939 4.470 -0.001 0.000 0.268 261 S C -0.560 173.498 174.600 -0.904 0.000 1.162 261 S CA -0.591 57.148 58.200 -0.767 0.000 0.817 261 S CB 0.876 63.938 63.200 -0.231 0.000 1.141 261 S HN 0.994 nan 8.310 nan 0.000 0.477 262 S N 1.148 116.366 115.700 -0.803 0.000 2.576 262 S HA 0.356 4.826 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 57.508 58.200 -0.233 0.000 1.039 262 S CB 0.292 63.556 63.200 0.108 0.000 0.902 262 S HN 0.769 nan 8.310 nan 0.000 0.516 263 Q N 1.461 121.282 119.800 0.035 0.000 2.349 263 Q HA 0.054 4.394 4.340 -0.001 0.000 0.287 263 Q C -0.355 175.670 176.000 0.042 0.000 1.044 263 Q CA 0.381 56.198 55.803 0.024 0.000 0.918 263 Q CB 0.548 29.297 28.738 0.018 0.000 1.242 263 Q HN 0.827 nan 8.270 nan 0.000 0.405 264 S N 2.502 118.222 115.700 0.033 0.000 2.711 264 S HA 0.211 4.680 4.470 -0.001 0.000 0.335 264 S C 0.681 175.311 174.600 0.049 0.000 1.175 264 S CA 0.422 58.649 58.200 0.045 0.000 1.372 264 S CB -0.743 62.470 63.200 0.020 0.000 1.337 264 S HN 0.812 nan 8.310 nan 0.000 0.572 265 G N 2.018 110.873 108.800 0.091 0.000 2.353 265 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.294 265 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.294 265 G C 0.465 175.370 174.900 0.007 0.000 1.077 265 G CA -0.021 45.117 45.100 0.064 0.000 1.098 265 G HN 0.959 nan 8.290 nan 0.000 0.511 266 A N -1.077 121.722 122.820 -0.035 0.000 2.127 266 A HA 0.818 5.137 4.320 -0.001 0.000 0.204 266 A C 1.084 178.601 177.584 -0.112 0.000 1.243 266 A CA 1.603 53.604 52.037 -0.060 0.000 0.887 266 A CB 0.835 19.808 19.000 -0.044 0.000 0.933 266 A HN 1.557 nan 8.150 nan 0.000 0.479 267 S N -1.999 113.576 115.700 -0.209 0.000 2.552 267 S HA 0.334 4.804 4.470 -0.001 0.000 0.272 267 S C 0.026 174.369 174.600 -0.428 0.000 1.150 267 S CA -0.392 57.658 58.200 -0.250 0.000 0.849 267 S CB 1.261 64.330 63.200 -0.218 0.000 1.113 267 S HN 0.406 nan 8.310 nan 0.000 0.458 268 N N 0.662 119.237 118.700 -0.207 0.000 2.571 268 N HA 0.034 4.774 4.740 -0.001 0.000 0.195 268 N C 0.016 175.567 175.510 0.069 0.000 1.040 268 N CA 0.200 53.239 53.050 -0.019 0.000 0.890 268 N CB 0.130 38.668 38.487 0.085 0.000 1.233 268 N HN 0.510 nan 8.380 nan 0.000 0.435 269 D N 0.650 121.058 120.400 0.013 0.000 2.363 269 D HA 0.030 4.670 4.640 -0.001 0.000 0.226 269 D C -0.018 176.294 176.300 0.021 0.000 1.020 269 D CA 0.631 54.669 54.000 0.064 0.000 0.892 269 D CB -0.198 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 -0.598 118.072 118.700 -0.050 0.000 2.200 270 N HA 0.006 4.745 4.740 -0.001 0.000 0.224 270 N C 0.039 175.594 175.510 0.074 0.000 1.179 270 N CA -0.353 52.675 53.050 -0.036 0.000 0.877 270 N CB 0.732 39.149 38.487 -0.116 0.000 1.072 270 N HN 0.070 nan 8.380 nan 0.000 0.519 271 H N 1.120 120.275 119.070 0.141 0.000 2.871 271 H HA 0.043 4.599 4.556 -0.001 0.000 0.355 271 H C -0.421 175.082 175.328 0.291 0.000 1.092 271 H CA 0.679 56.835 56.048 0.179 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 0.545 120.968 120.300 0.206 0.000 2.702 272 Y HA 0.472 5.022 4.550 -0.001 0.000 0.336 272 Y C -2.270 173.746 175.900 0.193 0.000 1.203 272 Y CA -1.377 56.813 58.100 0.151 0.000 1.072 272 Y CB 1.308 39.812 38.460 0.073 0.000 1.327 272 Y HN 0.403 nan 8.280 nan 0.000 0.456 273 F N 1.281 121.200 119.950 -0.052 0.000 2.588 273 F HA 0.832 5.359 4.527 -0.001 0.000 0.314 273 F C -0.347 175.404 175.800 -0.081 0.000 1.134 273 F CA 0.035 57.916 58.000 -0.199 0.000 0.961 273 F CB 1.966 40.873 39.000 -0.155 0.000 1.239 273 F HN 1.087 nan 8.300 nan 0.000 0.448 274 G N 2.935 111.228 108.800 -0.845 0.000 2.588 274 G HA2 0.492 4.451 3.960 -0.001 0.000 0.281 274 G HA3 0.492 4.451 3.960 -0.001 0.000 0.281 274 G C -2.405 171.863 174.900 -1.054 0.000 1.223 274 G CA -0.579 44.138 45.100 -0.638 0.000 0.871 274 G HN 0.516 nan 8.290 nan 0.000 0.492 275 Y N -0.891 119.042 120.300 -0.611 0.000 2.588 275 Y HA 0.728 5.278 4.550 -0.001 0.000 0.343 275 Y C 0.093 175.841 175.900 -0.253 0.000 1.065 275 Y CA -0.797 57.073 58.100 -0.384 0.000 1.038 275 Y CB 2.604 40.947 38.460 -0.194 0.000 1.297 275 Y HN 0.538 nan 8.280 nan 0.000 0.467 276 S N 1.302 117.078 115.700 0.126 0.000 2.456 276 S HA 0.572 5.042 4.470 -0.001 0.000 0.316 276 S C -0.594 174.134 174.600 0.212 0.000 1.089 276 S CA -0.539 57.727 58.200 0.111 0.000 1.101 276 S CB 0.199 63.432 63.200 0.056 0.000 0.995 276 S HN 0.701 nan 8.310 nan 0.000 0.468 277 T N 2.736 117.423 114.554 0.223 0.000 2.902 277 T HA 0.563 4.913 4.350 -0.001 0.000 0.283 277 T C -2.423 172.289 174.700 0.021 0.000 1.009 277 T CA -2.080 60.095 62.100 0.124 0.000 1.051 277 T CB 1.375 70.553 68.868 0.517 0.000 0.999 277 T HN 0.297 nan 8.240 nan 0.000 0.474 278 P HA 0.145 nan 4.420 nan 0.000 0.242 278 P C -0.689 176.571 177.300 -0.068 0.000 1.197 278 P CA 0.042 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 0.323 121.608 121.300 -0.026 0.000 2.375 279 W HA 0.560 5.219 4.660 -0.001 0.000 0.336 279 W C 1.074 177.572 176.519 -0.035 0.000 1.160 279 W CA -0.045 57.298 57.345 -0.004 0.000 1.266 279 W CB 0.686 30.136 29.460 -0.017 0.000 1.195 279 W HN -0.189 nan 8.180 nan 0.000 0.599 280 G N 0.566 109.462 108.800 0.159 0.000 2.705 280 G HA2 0.738 4.697 3.960 -0.001 0.000 0.299 280 G HA3 0.738 4.697 3.960 -0.001 0.000 0.299 280 G C -1.970 172.930 174.900 -0.000 0.000 1.315 280 G CA -0.711 44.364 45.100 -0.042 0.000 1.045 280 G HN 0.574 nan 8.290 nan 0.000 0.517 281 Y N -2.924 117.228 120.300 -0.247 0.000 2.624 281 Y HA 0.733 5.283 4.550 -0.001 0.000 0.334 281 Y C -1.788 173.919 175.900 -0.322 0.000 1.155 281 Y CA -2.187 55.756 58.100 -0.261 0.000 1.046 281 Y CB 1.066 39.412 38.460 -0.189 0.000 1.316 281 Y HN 0.395 nan 8.280 nan 0.000 0.457 282 F N 1.546 121.548 119.950 0.087 0.000 2.422 282 F HA 0.566 5.093 4.527 -0.001 0.000 0.333 282 F C -0.266 175.635 175.800 0.168 0.000 1.095 282 F CA -0.079 58.010 58.000 0.149 0.000 1.038 282 F CB 1.697 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 1.708 122.301 120.400 0.321 0.000 2.753 283 D HA 0.446 5.086 4.640 -0.001 0.000 0.224 283 D C -0.886 175.497 176.300 0.137 0.000 1.213 283 D CA -0.516 53.525 54.000 0.068 0.000 0.833 283 D CB 1.291 42.143 40.800 0.086 0.000 1.607 283 D HN 0.289 nan 8.370 nan 0.000 0.463 284 F N 0.609 120.659 119.950 0.168 0.000 2.656 284 F HA 0.386 4.912 4.527 -0.001 0.000 0.363 284 F C 0.302 176.151 175.800 0.083 0.000 1.313 284 F CA -0.813 57.249 58.000 0.103 0.000 1.089 284 F CB -0.974 38.178 39.000 0.254 0.000 1.247 284 F HN 0.279 nan 8.300 nan 0.000 0.509 285 N N 1.835 120.367 118.700 -0.279 0.000 2.581 285 N HA 0.133 4.873 4.740 -0.001 0.000 0.230 285 N C -0.381 174.925 175.510 -0.339 0.000 1.310 285 N CA 0.011 52.700 53.050 -0.601 0.000 0.886 285 N CB 0.184 38.122 38.487 -0.914 0.000 1.205 285 N HN 0.370 nan 8.380 nan 0.000 0.488 286 R N -0.413 119.964 120.500 -0.205 0.000 2.628 286 R HA 0.193 4.532 4.340 -0.001 0.000 0.288 286 R C 0.016 176.191 176.300 -0.210 0.000 0.980 286 R CA -0.655 55.272 56.100 -0.288 0.000 0.891 286 R CB 0.941 30.925 30.300 -0.527 0.000 1.188 286 R HN 0.129 nan 8.270 nan 0.000 0.450 287 F N 1.015 120.961 119.950 -0.006 0.000 2.216 287 F HA -0.184 4.343 4.527 -0.001 0.000 0.300 287 F C 2.316 178.155 175.800 0.065 0.000 1.085 287 F CA 1.700 59.787 58.000 0.145 0.000 1.326 287 F CB -0.072 38.836 39.000 -0.154 0.000 1.027 287 F HN 0.721 nan 8.300 nan 0.000 0.497 288 H N -2.790 116.345 119.070 0.109 0.000 2.561 288 H HA -0.039 4.517 4.556 -0.001 0.000 0.278 288 H C 1.753 177.094 175.328 0.021 0.000 1.014 288 H CA 0.577 56.650 56.048 0.041 0.000 1.211 288 H CB -1.414 28.348 29.762 -0.001 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 -0.034 4.426 4.460 -0.001 0.000 0.280 289 C C 1.849 176.607 174.990 -0.387 0.000 1.353 289 C CA 1.014 59.819 59.018 -0.355 0.000 1.766 289 C CB -0.613 26.753 27.740 -0.624 0.000 1.924 289 C HN 0.799 nan 8.230 nan 0.000 0.509 290 H N -2.786 116.404 119.070 0.199 0.000 2.521 290 H HA 0.243 4.799 4.556 -0.001 0.000 0.267 290 H C 0.128 175.416 175.328 -0.066 0.000 0.963 290 H CA 0.193 56.289 56.048 0.080 0.000 1.175 290 H CB -0.201 29.661 29.762 0.166 0.000 1.450 290 H HN 0.311 nan 8.280 nan 0.000 0.472 291 F N 2.896 122.983 119.950 0.229 0.000 2.394 291 F HA 0.261 4.788 4.527 -0.001 0.000 0.340 291 F C 1.142 177.016 175.800 0.124 0.000 1.105 291 F CA -0.856 57.243 58.000 0.165 0.000 1.124 291 F CB 1.206 40.362 39.000 0.260 0.000 1.145 291 F HN -0.037 nan 8.300 nan 0.000 0.505 292 S N 2.739 118.603 115.700 0.274 0.000 2.632 292 S HA 0.369 4.838 4.470 -0.001 0.000 0.267 292 S C -2.023 172.681 174.600 0.173 0.000 1.276 292 S CA -1.167 57.146 58.200 0.189 0.000 0.998 292 S CB 1.506 64.797 63.200 0.152 0.000 0.953 292 S HN 0.344 nan 8.310 nan 0.000 0.547 293 P HA -0.173 nan 4.420 nan 0.000 0.216 293 P C 1.713 179.006 177.300 -0.013 0.000 1.157 293 P CA 1.305 64.309 63.100 -0.160 0.000 0.880 293 P CB -0.032 31.488 31.700 -0.300 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 1.835 178.225 176.300 0.149 0.000 1.137 294 R CA 2.058 58.217 56.100 0.097 0.000 0.945 294 R CB -1.664 28.703 30.300 0.112 0.000 0.845 294 R HN 0.096 nan 8.270 nan 0.000 0.430 295 D N -0.353 120.208 120.400 0.268 0.000 2.116 295 D HA -0.257 4.383 4.640 -0.001 0.000 0.193 295 D C 1.690 178.233 176.300 0.406 0.000 0.998 295 D CA 1.322 55.604 54.000 0.470 0.000 0.836 295 D CB -0.651 40.476 40.800 0.544 0.000 0.951 295 D HN 0.409 nan 8.370 nan 0.000 0.449 296 W N 1.945 123.296 121.300 0.084 0.000 2.325 296 W HA -0.234 4.426 4.660 -0.001 0.000 0.299 296 W C 2.219 178.610 176.519 -0.214 0.000 1.215 296 W CA 1.416 58.663 57.345 -0.164 0.000 1.244 296 W CB -0.086 29.227 29.460 -0.244 0.000 1.140 296 W HN 0.119 nan 8.180 nan 0.000 0.523 297 Q N 0.340 120.108 119.800 -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 2.148 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 0.361 120.753 120.500 -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 1.705 57.607 56.100 -0.330 0.000 0.943 298 R CB -0.799 29.157 30.300 -0.574 0.000 0.850 298 R HN 0.355 nan 8.270 nan 0.000 0.433 299 L N 0.810 121.891 121.223 -0.236 0.000 1.971 299 L HA -0.257 4.083 4.340 -0.001 0.000 0.215 299 L C 2.237 178.888 176.870 -0.365 0.000 1.072 299 L CA 1.532 56.231 54.840 -0.235 0.000 0.758 299 L CB -0.286 41.500 42.059 -0.454 0.000 0.889 299 L HN 0.186 nan 8.230 nan 0.000 0.433 300 I N 0.450 120.691 120.570 -0.548 0.000 2.163 300 I HA -0.303 3.867 4.170 -0.001 0.000 0.243 300 I C 1.949 177.939 176.117 -0.211 0.000 1.085 300 I CA 1.525 62.554 61.300 -0.452 0.000 1.347 300 I CB -1.652 35.988 38.000 -0.600 0.000 1.044 300 I HN 0.448 nan 8.210 nan 0.000 0.408 301 N N 1.031 119.598 118.700 -0.221 0.000 2.521 301 N HA -0.058 4.682 4.740 -0.001 0.000 0.188 301 N C 1.071 176.538 175.510 -0.072 0.000 1.146 301 N CA 0.452 53.432 53.050 -0.117 0.000 0.893 301 N CB -0.077 38.331 38.487 -0.132 0.000 0.975 301 N HN 0.469 nan 8.380 nan 0.000 0.451 302 N N -0.281 118.363 118.700 -0.094 0.000 2.266 302 N HA 0.090 4.829 4.740 -0.001 0.000 0.217 302 N C -0.617 174.855 175.510 -0.063 0.000 1.211 302 N CA 0.014 53.001 53.050 -0.105 0.000 0.881 302 N CB 0.785 39.168 38.487 -0.174 0.000 1.153 302 N HN 0.150 nan 8.380 nan 0.000 0.489 303 N N -0.145 118.574 118.700 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 0.358 0.000 1.026 303 N CA -0.442 52.686 53.050 0.130 0.000 0.857 303 N CB 1.769 40.359 38.487 0.171 0.000 1.256 303 N HN 0.143 nan 8.380 nan 0.000 0.484 304 W N 1.920 123.241 121.300 0.034 0.000 2.321 304 W HA -0.127 4.532 4.660 -0.001 0.000 0.306 304 W C 1.119 177.728 176.519 0.149 0.000 1.217 304 W CA 0.268 57.631 57.345 0.030 0.000 1.257 304 W CB 0.343 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 -1.858 107.197 108.800 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 -1.821 173.534 174.900 0.759 0.000 1.402 305 G CA -0.658 44.732 45.100 0.483 0.000 0.784 305 G HN 0.088 nan 8.290 nan 0.000 0.482 306 F N -1.314 119.079 119.950 0.737 0.000 2.779 306 F HA 0.945 5.472 4.527 -0.001 0.000 0.316 306 F C -0.759 175.288 175.800 0.412 0.000 1.164 306 F CA -1.367 57.009 58.000 0.626 0.000 0.924 306 F CB 1.650 40.880 39.000 0.383 0.000 1.348 306 F HN 0.928 nan 8.300 nan 0.000 0.467 307 R N -0.352 120.349 120.500 0.336 0.000 2.712 307 R HA 0.690 5.030 4.340 -0.001 0.000 0.272 307 R C -3.635 172.588 176.300 -0.127 0.000 1.032 307 R CA -1.934 54.019 56.100 -0.244 0.000 0.874 307 R CB 1.604 31.423 30.300 -0.802 0.000 1.256 307 R HN 0.374 nan 8.270 nan 0.000 0.468 308 P HA 0.315 nan 4.420 nan 0.000 0.278 308 P C -0.732 176.070 177.300 -0.831 0.000 1.238 308 P CA -0.580 61.758 63.100 -1.269 0.000 0.794 308 P CB 1.156 31.528 31.700 -2.213 0.000 0.955 309 K N 0.999 121.086 120.400 -0.521 0.000 2.537 309 K HA 0.281 4.600 4.320 -0.001 0.000 0.216 309 K C 0.401 177.034 176.600 0.054 0.000 1.349 309 K CA 0.755 56.943 56.287 -0.164 0.000 0.841 309 K CB 0.212 32.618 32.500 -0.157 0.000 1.659 309 K HN 0.349 nan 8.250 nan 0.000 0.435 310 K N 0.296 120.682 120.400 -0.022 0.000 2.331 310 K HA 0.552 4.872 4.320 -0.001 0.000 0.238 310 K C -1.223 175.367 176.600 -0.017 0.000 1.058 310 K CA -0.947 55.301 56.287 -0.064 0.000 0.871 310 K CB 1.711 34.136 32.500 -0.125 0.000 1.292 310 K HN -0.086 nan 8.250 nan 0.000 0.470 311 L N -0.353 120.822 121.223 -0.079 0.000 2.513 311 L HA 0.406 4.746 4.340 -0.001 0.000 0.261 311 L C -1.791 175.035 176.870 -0.073 0.000 0.945 311 L CA 0.007 54.829 54.840 -0.030 0.000 0.848 311 L CB 2.480 44.567 42.059 0.046 0.000 1.334 311 L HN 0.514 nan 8.230 nan 0.000 0.407 312 S N 4.371 120.048 115.700 -0.038 0.000 2.779 312 S HA 0.573 5.042 4.470 -0.001 0.000 0.293 312 S C -1.285 173.351 174.600 0.060 0.000 1.150 312 S CA -0.260 57.919 58.200 -0.037 0.000 1.057 312 S CB 0.738 63.879 63.200 -0.100 0.000 1.021 312 S HN 0.472 nan 8.310 nan 0.000 0.485 313 F N 3.668 123.630 119.950 0.020 0.000 2.436 313 F HA 0.661 5.187 4.527 -0.001 0.000 0.340 313 F C -0.139 175.722 175.800 0.102 0.000 1.113 313 F CA -0.403 57.655 58.000 0.097 0.000 1.022 313 F CB 0.818 39.992 39.000 0.291 0.000 1.128 313 F HN 0.386 nan 8.300 nan 0.000 0.466 314 K N 7.228 127.355 120.400 -0.454 0.000 2.513 314 K HA 0.557 4.877 4.320 -0.001 0.000 0.251 314 K C -2.116 174.423 176.600 -0.102 0.000 0.939 314 K CA -0.619 55.593 56.287 -0.125 0.000 0.793 314 K CB 1.500 33.979 32.500 -0.035 0.000 1.241 314 K HN 0.763 nan 8.250 nan 0.000 0.431 315 L N 6.052 127.384 121.223 0.182 0.000 2.341 315 L HA 0.682 5.021 4.340 -0.001 0.000 0.278 315 L C -0.762 176.371 176.870 0.438 0.000 1.005 315 L CA -0.824 54.132 54.840 0.194 0.000 0.818 315 L CB 0.942 43.103 42.059 0.171 0.000 1.259 315 L HN 0.706 nan 8.230 nan 0.000 0.418 316 F N -0.512 119.549 119.950 0.185 0.000 2.985 316 F HA 0.399 4.925 4.527 -0.001 0.000 0.322 316 F C 0.059 175.944 175.800 0.142 0.000 1.187 316 F CA -1.440 56.649 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 0.458 nan 8.300 nan 0.000 0.492 317 N N 0.344 119.212 118.700 0.279 0.000 2.716 317 N HA -0.210 4.529 4.740 -0.001 0.000 0.250 317 N C -0.967 174.542 175.510 -0.002 0.000 1.033 317 N CA 0.566 53.688 53.050 0.120 0.000 0.727 317 N CB -1.142 37.407 38.487 0.103 0.000 0.950 317 N HN 0.470 nan 8.380 nan 0.000 0.541 318 I N 1.004 121.615 120.570 0.069 0.000 2.588 318 I HA 0.012 4.182 4.170 -0.001 0.000 0.283 318 I C 0.520 176.635 176.117 -0.004 0.000 1.119 318 I CA 0.488 61.824 61.300 0.059 0.000 1.419 318 I CB 0.665 38.779 38.000 0.189 0.000 1.394 318 I HN 0.144 nan 8.210 nan 0.000 0.562 319 Q N 5.435 125.191 119.800 -0.073 0.000 2.305 319 Q HA 0.511 4.851 4.340 -0.001 0.000 0.271 319 Q C -1.376 174.548 176.000 -0.127 0.000 1.046 319 Q CA -0.771 54.976 55.803 -0.094 0.000 0.798 319 Q CB 3.131 31.792 28.738 -0.128 0.000 1.286 319 Q HN 0.384 nan 8.270 nan 0.000 0.435 320 V N 3.363 123.206 119.914 -0.118 0.000 2.311 320 V HA 0.293 4.412 4.120 -0.001 0.000 0.275 320 V C -0.392 175.552 176.094 -0.250 0.000 1.022 320 V CA -0.707 61.492 62.300 -0.167 0.000 0.830 320 V CB 0.892 32.665 31.823 -0.082 0.000 1.012 320 V HN 0.545 nan 8.190 nan 0.000 0.452 321 K N 4.269 124.372 120.400 -0.496 0.000 2.183 321 K HA 0.496 4.816 4.320 -0.001 0.000 0.274 321 K C -0.118 176.234 176.600 -0.414 0.000 1.009 321 K CA -0.491 55.490 56.287 -0.510 0.000 0.888 321 K CB 2.198 34.257 32.500 -0.734 0.000 1.078 321 K HN 0.861 nan 8.250 nan 0.000 0.459 322 E N 0.520 120.632 120.200 -0.147 0.000 2.166 322 E HA 0.421 4.771 4.350 -0.001 0.000 0.275 322 E C -0.755 175.877 176.600 0.052 0.000 0.941 322 E CA -0.995 55.392 56.400 -0.020 0.000 0.784 322 E CB 1.874 31.573 29.700 -0.002 0.000 1.115 322 E HN 0.122 nan 8.360 nan 0.000 0.399 323 V N 2.758 122.740 119.914 0.114 0.000 2.630 323 V HA 0.751 4.870 4.120 -0.001 0.000 0.305 323 V C -0.909 175.227 176.094 0.071 0.000 1.046 323 V CA -0.017 62.350 62.300 0.111 0.000 0.934 323 V CB 1.927 33.837 31.823 0.145 0.000 1.003 323 V HN 1.001 nan 8.190 nan 0.000 0.451 324 T N 3.065 117.650 114.554 0.052 0.000 2.879 324 T HA 0.588 4.937 4.350 -0.001 0.000 0.290 324 T C -0.946 173.771 174.700 0.028 0.000 0.993 324 T CA -0.732 61.391 62.100 0.039 0.000 0.975 324 T CB 1.574 70.462 68.868 0.034 0.000 0.981 324 T HN 0.583 nan 8.240 nan 0.000 0.439 325 Q N 3.134 122.947 119.800 0.022 0.000 2.441 325 Q HA 0.405 4.744 4.340 -0.001 0.000 0.234 325 Q C 0.842 176.850 176.000 0.012 0.000 1.078 325 Q CA -0.507 55.304 55.803 0.014 0.000 0.907 325 Q CB 0.622 29.365 28.738 0.009 0.000 1.269 325 Q HN 0.547 nan 8.270 nan 0.000 0.502 326 N N 1.384 120.090 118.700 0.011 0.000 2.124 326 N HA -0.069 4.671 4.740 -0.001 0.000 0.189 326 N C 0.123 175.637 175.510 0.006 0.000 1.050 326 N CA 1.216 54.272 53.050 0.009 0.000 0.848 326 N CB 0.352 38.845 38.487 0.009 0.000 1.027 326 N HN 0.451 nan 8.380 nan 0.000 0.435 327 D N -1.368 119.034 120.400 0.004 0.000 3.013 327 D HA 0.206 4.845 4.640 -0.001 0.000 0.256 327 D C 1.021 177.321 176.300 0.001 0.000 1.573 327 D CA 0.612 54.613 54.000 0.002 0.000 1.197 327 D CB -0.374 40.427 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 4.206 3.960 -0.001 0.000 0.291 328 G HA3 0.246 4.206 3.960 -0.001 0.000 0.291 328 G C -0.294 174.605 174.900 -0.002 0.000 1.016 328 G CA 0.058 45.157 45.100 -0.002 0.000 0.819 328 G HN 0.219 nan 8.290 nan 0.000 0.493 329 T N 0.661 115.215 114.554 0.000 0.000 2.881 329 T HA 0.504 4.854 4.350 -0.001 0.000 0.291 329 T C -0.152 174.550 174.700 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 2.745 117.301 114.554 0.003 0.000 2.723 330 T HA 0.512 4.861 4.350 -0.001 0.000 0.297 330 T C 0.475 175.184 174.700 0.015 0.000 0.925 330 T CA -0.774 61.330 62.100 0.008 0.000 1.030 330 T CB 0.225 69.093 68.868 0.000 0.000 0.905 330 T HN 0.728 nan 8.240 nan 0.000 0.502 331 T N 1.900 116.467 114.554 0.022 0.000 2.829 331 T HA 0.692 5.041 4.350 -0.001 0.000 0.282 331 T C -0.063 174.662 174.700 0.042 0.000 0.990 331 T CA -0.957 61.158 62.100 0.026 0.000 1.028 331 T CB 0.575 69.455 68.868 0.020 0.000 0.951 331 T HN 0.636 nan 8.240 nan 0.000 0.460 332 I N 1.984 122.583 120.570 0.048 0.000 2.433 332 I HA 0.732 4.902 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 -1.046 60.297 61.300 0.071 0.000 1.119 332 I CB 1.679 39.755 38.000 0.126 0.000 1.289 332 I HN 0.955 nan 8.210 nan 0.000 0.438 333 A N 5.117 127.945 122.820 0.012 0.000 2.525 333 A HA 0.665 4.985 4.320 -0.001 0.000 0.291 333 A C -1.223 176.336 177.584 -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 4.994 4.740 -0.001 0.000 0.266 334 N C -1.267 174.219 175.510 -0.040 0.000 1.007 334 N CA -0.186 52.833 53.050 -0.052 0.000 0.941 334 N CB 1.247 39.711 38.487 -0.039 0.000 1.115 334 N HN 0.564 nan 8.380 nan 0.000 0.492 335 N N 3.801 122.470 118.700 -0.052 0.000 2.955 335 N HA 0.200 4.940 4.740 -0.001 0.000 0.242 335 N C 1.050 176.543 175.510 -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 38.630 38.487 -0.031 0.000 1.214 335 N HN 0.486 nan 8.380 nan 0.000 0.504 336 L N 0.539 121.751 121.223 -0.018 0.000 2.046 336 L HA -0.140 4.200 4.340 -0.001 0.000 0.208 336 L C 2.001 178.869 176.870 -0.002 0.000 1.077 336 L CA 1.533 56.367 54.840 -0.010 0.000 0.747 336 L CB -0.755 41.301 42.059 -0.004 0.000 0.896 336 L HN 0.505 nan 8.230 nan 0.000 0.432 337 T N -3.970 110.584 114.554 -0.001 0.000 3.227 337 T HA -0.010 4.340 4.350 -0.001 0.000 0.257 337 T C 0.816 175.517 174.700 0.002 0.000 1.162 337 T CA 0.014 62.116 62.100 0.003 0.000 1.051 337 T CB -0.101 68.769 68.868 0.004 0.000 0.953 337 T HN 0.118 nan 8.240 nan 0.000 0.535 338 S N 1.598 117.296 115.700 -0.003 0.000 2.616 338 S HA 0.600 5.069 4.470 -0.001 0.000 0.277 338 S C 0.236 174.838 174.600 0.003 0.000 1.234 338 S CA -0.572 57.624 58.200 -0.006 0.000 1.028 338 S CB 1.066 64.257 63.200 -0.016 0.000 0.988 338 S HN 0.715 nan 8.310 nan 0.000 0.522 339 T N 0.048 114.604 114.554 0.002 0.000 2.926 339 T HA 0.776 5.125 4.350 -0.001 0.000 0.289 339 T C -0.582 174.127 174.700 0.014 0.000 1.054 339 T CA -0.767 61.344 62.100 0.019 0.000 1.015 339 T CB 1.347 70.229 68.868 0.023 0.000 1.167 339 T HN 0.561 nan 8.240 nan 0.000 0.526 340 V N 0.190 120.127 119.914 0.039 0.000 3.040 340 V HA 0.593 4.713 4.120 -0.001 0.000 0.312 340 V C -1.648 174.469 176.094 0.039 0.000 1.115 340 V CA -0.829 61.488 62.300 0.027 0.000 0.998 340 V CB 2.267 34.136 31.823 0.077 0.000 1.042 340 V HN 1.059 nan 8.190 nan 0.000 0.433 341 Q N 3.229 123.037 119.800 0.013 0.000 2.330 341 Q HA 0.736 5.075 4.340 -0.001 0.000 0.269 341 Q C -1.568 174.566 176.000 0.223 0.000 1.022 341 Q CA -0.643 55.231 55.803 0.119 0.000 0.796 341 Q CB 2.538 31.359 28.738 0.139 0.000 1.271 341 Q HN 0.564 nan 8.270 nan 0.000 0.450 342 V N 2.991 123.000 119.914 0.160 0.000 2.823 342 V HA 0.756 4.876 4.120 -0.001 0.000 0.312 342 V C -0.771 175.351 176.094 0.048 0.000 1.072 342 V CA -0.899 61.368 62.300 -0.054 0.000 0.937 342 V CB 1.399 32.864 31.823 -0.598 0.000 1.013 342 V HN 0.778 nan 8.190 nan 0.000 0.430 343 F N 0.311 120.098 119.950 -0.273 0.000 2.703 343 F HA 0.728 5.255 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 -0.629 57.232 58.000 -0.233 0.000 0.959 343 F CB 1.853 40.747 39.000 -0.176 0.000 1.297 343 F HN 0.462 nan 8.300 nan 0.000 0.441 344 T N 1.500 115.898 114.554 -0.260 0.000 2.786 344 T HA 0.275 4.625 4.350 -0.001 0.000 0.283 344 T C -1.159 173.335 174.700 -0.343 0.000 0.992 344 T CA -0.383 61.403 62.100 -0.523 0.000 0.954 344 T CB 0.583 69.020 68.868 -0.718 0.000 0.934 344 T HN 0.824 nan 8.240 nan 0.000 0.440 345 D N 3.598 123.710 120.400 -0.479 0.000 2.441 345 D HA 0.221 4.861 4.640 -0.001 0.000 0.243 345 D C 0.820 176.867 176.300 -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 0.449 nan 8.370 nan 0.000 0.514 346 S N 2.294 117.804 115.700 -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 -0.078 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 0.458 120.547 120.200 -0.185 0.000 2.489 347 E HA 0.084 4.434 4.350 -0.001 0.000 0.193 347 E C -0.813 175.839 176.600 0.085 0.000 1.057 347 E CA -0.191 56.197 56.400 -0.019 0.000 0.866 347 E CB -0.124 29.596 29.700 0.034 0.000 0.916 347 E HN 0.544 nan 8.360 nan 0.000 0.500 348 Y N 0.387 120.705 120.300 0.029 0.000 3.078 348 Y HA -0.302 4.248 4.550 -0.001 0.000 0.202 348 Y C 1.058 176.946 175.900 -0.020 0.000 1.322 348 Y CA 0.325 58.426 58.100 0.003 0.000 1.118 348 Y CB -2.262 36.200 38.460 0.004 0.000 1.343 348 Y HN 0.206 nan 8.280 nan 0.000 0.499 349 Q N -0.249 119.592 119.800 0.069 0.000 2.378 349 Q HA 0.265 4.605 4.340 -0.001 0.000 0.216 349 Q C 0.363 176.245 176.000 -0.196 0.000 0.892 349 Q CA 0.091 55.908 55.803 0.023 0.000 0.931 349 Q CB 0.698 29.525 28.738 0.149 0.000 1.086 349 Q HN 0.510 nan 8.270 nan 0.000 0.528 350 L N 2.409 123.482 121.223 -0.251 0.000 2.312 350 L HA 0.354 4.694 4.340 -0.001 0.000 0.281 350 L C -2.207 174.520 176.870 -0.238 0.000 1.070 350 L CA -2.318 52.245 54.840 -0.462 0.000 0.805 350 L CB 0.887 42.611 42.059 -0.559 0.000 1.174 350 L HN -0.167 nan 8.230 nan 0.000 0.434 351 P HA -0.142 nan 4.420 nan 0.000 0.258 351 P C -1.038 176.319 177.300 0.095 0.000 1.172 351 P CA 0.232 63.336 63.100 0.006 0.000 0.762 351 P CB -0.022 31.717 31.700 0.065 0.000 0.764 352 Y N 3.960 124.270 120.300 0.016 0.000 2.531 352 Y HA 0.114 4.664 4.550 -0.001 0.000 0.347 352 Y C 1.292 177.196 175.900 0.007 0.000 1.024 352 Y CA 0.408 58.520 58.100 0.021 0.000 1.306 352 Y CB 0.451 38.944 38.460 0.055 0.000 1.149 352 Y HN 0.155 nan 8.280 nan 0.000 0.527 353 V N 6.995 126.744 119.914 -0.275 0.000 3.621 353 V HA 0.157 4.277 4.120 -0.001 0.000 0.285 353 V C 0.459 176.363 176.094 -0.316 0.000 1.346 353 V CA 0.221 62.365 62.300 -0.259 0.000 1.104 353 V CB -0.470 31.123 31.823 -0.382 0.000 0.913 353 V HN 0.580 nan 8.190 nan 0.000 0.432 354 L N 0.116 121.031 121.223 -0.513 0.000 2.468 354 L HA 0.568 4.908 4.340 -0.001 0.000 0.254 354 L C 1.459 178.284 176.870 -0.075 0.000 1.171 354 L CA 0.514 55.138 54.840 -0.361 0.000 0.809 354 L CB 0.224 41.969 42.059 -0.524 0.000 1.155 354 L HN 0.305 nan 8.230 nan 0.000 0.473 355 G N 0.505 109.239 108.800 -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 -0.547 115.176 115.700 0.038 0.000 2.855 356 S HA 0.587 5.056 4.470 -0.001 0.000 0.249 356 S C 1.454 175.976 174.600 -0.130 0.000 1.033 356 S CA 1.026 59.238 58.200 0.020 0.000 1.038 356 S CB 0.674 63.965 63.200 0.152 0.000 0.960 356 S HN 2.187 nan 8.310 nan 0.000 0.548 357 A N 1.510 124.290 122.820 -0.067 0.000 2.847 357 A HA -0.214 4.105 4.320 -0.001 0.000 0.263 357 A C 0.331 177.861 177.584 -0.089 0.000 1.391 357 A CA 0.882 52.878 52.037 -0.068 0.000 0.866 357 A CB -2.280 16.674 19.000 -0.077 0.000 1.057 357 A HN 0.674 nan 8.150 nan 0.000 0.673 358 H N 0.095 119.160 119.070 -0.008 0.000 2.745 358 H HA 0.297 4.853 4.556 -0.001 0.000 0.373 358 H C 0.945 176.293 175.328 0.034 0.000 1.226 358 H CA 0.855 56.911 56.048 0.014 0.000 1.435 358 H CB 0.365 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 -0.292 55.585 55.803 0.123 0.000 0.919 359 Q CB 1.681 30.480 28.738 0.102 0.000 1.222 359 Q HN 0.971 nan 8.270 nan 0.000 0.482 360 G N -0.497 108.346 108.800 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 -0.371 44.750 45.100 0.035 0.000 0.672 360 G HN 0.608 nan 8.290 nan 0.000 0.507 361 C N 0.266 119.546 119.300 -0.033 0.000 2.827 361 C HA 0.557 5.017 4.460 -0.001 0.000 0.287 361 C C 1.610 176.424 174.990 -0.293 0.000 1.497 361 C CA -0.345 58.616 59.018 -0.095 0.000 2.161 361 C CB -0.328 27.387 27.740 -0.041 0.000 2.120 361 C HN 0.493 nan 8.230 nan 0.000 0.676 362 L N 2.149 123.221 121.223 -0.252 0.000 2.380 362 L HA 0.260 4.599 4.340 -0.001 0.000 0.273 362 L C -2.116 174.720 176.870 -0.058 0.000 1.138 362 L CA -1.238 53.396 54.840 -0.344 0.000 0.832 362 L CB 0.027 41.987 42.059 -0.166 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 0.209 32.028 31.700 0.197 0.000 0.823 364 P HA -0.140 nan 4.420 nan 0.000 0.215 364 P C 0.257 177.537 177.300 -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 -1.628 174.125 175.800 -0.078 0.000 1.108 365 F CA -2.865 54.891 58.000 -0.406 0.000 1.162 365 F CB 0.787 39.478 39.000 -0.515 0.000 1.118 365 F HN -0.092 nan 8.300 nan 0.000 0.510 366 P HA -0.158 nan 4.420 nan 0.000 0.218 366 P C 1.024 178.291 177.300 -0.055 0.000 1.148 366 P CA 1.925 64.921 63.100 -0.174 0.000 0.822 366 P CB 0.061 31.652 31.700 -0.182 0.000 0.784 367 A N -1.142 121.487 122.820 -0.317 0.000 2.119 367 A HA -0.057 4.262 4.320 -0.001 0.000 0.217 367 A C 0.759 178.448 177.584 0.175 0.000 1.153 367 A CA 0.771 52.798 52.037 -0.017 0.000 0.692 367 A CB -1.010 18.038 19.000 0.080 0.000 0.799 367 A HN 0.111 nan 8.150 nan 0.000 0.458 368 D N -0.417 120.135 120.400 0.253 0.000 2.345 368 D HA 0.416 5.056 4.640 -0.001 0.000 0.247 368 D C -0.207 176.249 176.300 0.260 0.000 1.108 368 D CA 0.164 54.321 54.000 0.261 0.000 0.894 368 D CB 1.395 42.364 40.800 0.283 0.000 1.203 368 D HN -0.015 nan 8.370 nan 0.000 0.430 369 V N 2.509 122.554 119.914 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 -0.745 61.680 62.300 0.208 0.000 0.946 369 V CB 0.957 32.830 31.823 0.083 0.000 1.003 369 V HN 0.446 nan 8.190 nan 0.000 0.459 370 F N 1.923 121.958 119.950 0.142 0.000 2.593 370 F HA 0.787 5.313 4.527 -0.001 0.000 0.320 370 F C -0.527 175.352 175.800 0.132 0.000 1.060 370 F CA -1.331 56.749 58.000 0.133 0.000 0.940 370 F CB 1.988 41.078 39.000 0.149 0.000 1.268 370 F HN 0.475 nan 8.300 nan 0.000 0.475 371 M N 3.557 123.254 119.600 0.163 0.000 2.209 371 M HA 0.506 4.985 4.480 -0.001 0.000 0.355 371 M C -1.336 175.048 176.300 0.139 0.000 1.171 371 M CA -0.848 54.484 55.300 0.054 0.000 1.069 371 M CB 1.455 34.100 32.600 0.074 0.000 1.622 371 M HN 0.620 nan 8.290 nan 0.000 0.459 372 V N 8.288 128.203 119.914 0.001 0.000 2.439 372 V HA 0.191 4.311 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 -1.157 61.086 62.300 -0.095 0.000 1.002 372 V CB 0.145 31.759 31.823 -0.348 0.000 1.000 372 V HN 0.762 nan 8.190 nan 0.000 0.477 373 P HA 0.065 nan 4.420 nan 0.000 0.271 373 P C -0.565 176.338 177.300 -0.662 0.000 1.238 373 P CA -0.162 62.653 63.100 -0.476 0.000 0.794 373 P CB 0.482 31.712 31.700 -0.783 0.000 0.959 374 Q N 0.226 119.643 119.800 -0.639 0.000 2.266 374 Q HA 0.286 4.625 4.340 -0.001 0.000 0.261 374 Q C -1.407 174.598 176.000 0.008 0.000 0.985 374 Q CA -0.828 54.551 55.803 -0.707 0.000 0.873 374 Q CB 0.680 28.701 28.738 -1.195 0.000 1.306 374 Q HN 0.361 nan 8.270 nan 0.000 0.447 375 Y N 1.362 121.673 120.300 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 58.407 58.100 0.086 0.000 1.198 375 Y CB 1.149 39.661 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 0.492 4.451 3.960 -0.001 0.000 0.298 376 G HA3 0.492 4.451 3.960 -0.001 0.000 0.298 376 G C -2.243 172.406 174.900 -0.419 0.000 1.424 376 G CA -0.802 44.091 45.100 -0.345 0.000 1.029 376 G HN 0.741 nan 8.290 nan 0.000 0.518 377 Y N -0.112 120.005 120.300 -0.306 0.000 2.605 377 Y HA 0.839 5.389 4.550 -0.001 0.000 0.343 377 Y C -0.926 174.999 175.900 0.043 0.000 1.036 377 Y CA -1.636 56.363 58.100 -0.168 0.000 1.065 377 Y CB 1.591 39.993 38.460 -0.096 0.000 1.288 377 Y HN 0.459 nan 8.280 nan 0.000 0.481 378 L N 1.391 122.733 121.223 0.197 0.000 2.304 378 L HA 0.838 5.178 4.340 -0.001 0.000 0.268 378 L C -0.443 176.621 176.870 0.323 0.000 1.010 378 L CA -0.744 54.208 54.840 0.186 0.000 0.813 378 L CB 2.482 44.645 42.059 0.172 0.000 1.315 378 L HN 0.938 nan 8.230 nan 0.000 0.445 379 T N 0.006 114.744 114.554 0.307 0.000 2.812 379 T HA 0.356 4.706 4.350 -0.001 0.000 0.294 379 T C -1.044 173.822 174.700 0.277 0.000 1.159 379 T CA -0.714 61.590 62.100 0.340 0.000 1.008 379 T CB 1.602 70.723 68.868 0.422 0.000 1.289 379 T HN 0.222 nan 8.240 nan 0.000 0.514 380 L N 3.324 124.685 121.223 0.229 0.000 2.540 380 L HA 0.353 4.693 4.340 -0.001 0.000 0.276 380 L C -0.088 176.865 176.870 0.138 0.000 1.212 380 L CA 0.388 55.326 54.840 0.163 0.000 0.893 380 L CB -0.691 41.443 42.059 0.125 0.000 1.138 380 L HN 0.900 nan 8.230 nan 0.000 0.491 381 N N 1.697 120.460 118.700 0.105 0.000 2.329 381 N HA 0.336 5.076 4.740 -0.001 0.000 0.282 381 N C -1.273 174.240 175.510 0.005 0.000 1.198 381 N CA -0.803 52.273 53.050 0.043 0.000 0.790 381 N CB 0.952 39.509 38.487 0.117 0.000 1.579 381 N HN 0.422 nan 8.380 nan 0.000 0.475 382 N N 0.831 119.493 118.700 -0.065 0.000 3.044 382 N HA 0.392 5.132 4.740 -0.001 0.000 0.254 382 N C 0.554 175.985 175.510 -0.132 0.000 1.253 382 N CA 0.876 53.883 53.050 -0.072 0.000 0.944 382 N CB -0.225 38.215 38.487 -0.078 0.000 1.217 382 N HN 1.025 nan 8.380 nan 0.000 0.498 383 G N 1.836 110.550 108.800 -0.144 0.000 2.527 383 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.262 383 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.262 383 G C 0.828 175.508 174.900 -0.367 0.000 1.153 383 G CA 0.498 45.360 45.100 -0.397 0.000 0.954 383 G HN 0.719 nan 8.290 nan 0.000 0.552 384 S N 0.386 115.836 115.700 -0.418 0.000 2.496 384 S HA 0.287 4.756 4.470 -0.001 0.000 0.224 384 S C 1.107 175.630 174.600 -0.128 0.000 0.996 384 S CA 1.463 59.584 58.200 -0.130 0.000 0.927 384 S CB 0.163 63.330 63.200 -0.055 0.000 0.774 384 S HN 0.769 nan 8.310 nan 0.000 0.524 385 Q N 0.489 120.168 119.800 -0.202 0.000 2.185 385 Q HA 0.749 5.089 4.340 -0.001 0.000 0.225 385 Q C -0.464 175.290 176.000 -0.411 0.000 0.983 385 Q CA -0.513 55.115 55.803 -0.290 0.000 0.950 385 Q CB 1.327 29.933 28.738 -0.220 0.000 1.176 385 Q HN 0.472 nan 8.270 nan 0.000 0.510 386 A N 0.304 122.765 122.820 -0.598 0.000 2.350 386 A HA 0.694 5.013 4.320 -0.001 0.000 0.318 386 A C -0.789 176.625 177.584 -0.283 0.000 1.132 386 A CA -0.619 51.078 52.037 -0.567 0.000 0.811 386 A CB 1.073 19.416 19.000 -1.096 0.000 1.313 386 A HN 0.443 nan 8.150 nan 0.000 0.454 387 V N 0.071 119.893 119.914 -0.153 0.000 3.109 387 V HA 0.495 4.614 4.120 -0.001 0.000 0.317 387 V C 1.752 177.813 176.094 -0.054 0.000 1.074 387 V CA 0.300 62.552 62.300 -0.080 0.000 1.033 387 V CB 1.315 33.122 31.823 -0.028 0.000 1.111 387 V HN 1.163 nan 8.190 nan 0.000 0.458 388 G N 0.315 109.095 108.800 -0.033 0.000 2.471 388 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.219 388 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.219 388 G C 1.261 176.168 174.900 0.011 0.000 1.125 388 G CA 0.162 45.254 45.100 -0.014 0.000 0.775 388 G HN 0.652 nan 8.290 nan 0.000 0.548 389 R N 0.514 121.026 120.500 0.020 0.000 2.310 389 R HA 0.188 4.528 4.340 -0.001 0.000 0.202 389 R C 0.592 176.931 176.300 0.066 0.000 0.933 389 R CA -0.178 55.946 56.100 0.041 0.000 1.054 389 R CB 0.165 30.491 30.300 0.044 0.000 0.985 389 R HN 0.181 nan 8.270 nan 0.000 0.489 390 S N 0.388 116.133 115.700 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 58.239 58.200 0.134 0.000 1.005 390 S CB 1.289 64.594 63.200 0.175 0.000 0.909 390 S HN 0.048 nan 8.310 nan 0.000 0.555 391 S N 1.204 116.982 115.700 0.129 0.000 2.532 391 S HA 0.538 5.008 4.470 -0.001 0.000 0.299 391 S C -1.180 173.323 174.600 -0.163 0.000 1.105 391 S CA -0.575 57.566 58.200 -0.098 0.000 1.018 391 S CB 0.871 63.932 63.200 -0.231 0.000 1.021 391 S HN 0.527 nan 8.310 nan 0.000 0.483 392 F N 3.882 123.568 119.950 -0.440 0.000 2.427 392 F HA 0.620 5.146 4.527 -0.001 0.000 0.346 392 F C -1.537 173.940 175.800 -0.538 0.000 1.120 392 F CA -1.251 56.463 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 5.223 125.186 120.300 -0.563 0.000 2.341 393 Y HA 0.457 5.006 4.550 -0.001 0.000 0.338 393 Y C -0.284 175.141 175.900 -0.791 0.000 0.965 393 Y CA -0.954 56.797 58.100 -0.581 0.000 1.108 393 Y CB 1.672 39.876 38.460 -0.426 0.000 1.180 393 Y HN 0.721 nan 8.280 nan 0.000 0.458 394 C N 5.958 124.956 119.300 -0.504 0.000 2.281 394 C HA 0.405 4.865 4.460 -0.001 0.000 0.323 394 C C 0.827 175.827 174.990 0.017 0.000 1.270 394 C CA -0.731 58.004 59.018 -0.472 0.000 1.559 394 C CB -0.975 26.464 27.740 -0.501 0.000 2.239 394 C HN 0.976 nan 8.230 nan 0.000 0.488 395 L N 4.386 125.687 121.223 0.129 0.000 2.622 395 L HA 0.096 4.435 4.340 -0.001 0.000 0.233 395 L C 2.230 179.138 176.870 0.062 0.000 1.156 395 L CA 1.302 56.101 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 -1.644 118.746 120.200 0.317 0.000 2.371 396 E HA -0.134 4.216 4.350 -0.001 0.000 0.194 396 E C 1.346 178.041 176.600 0.159 0.000 1.012 396 E CA 0.516 57.107 56.400 0.319 0.000 0.860 396 E CB -0.089 29.828 29.700 0.362 0.000 0.811 396 E HN 0.548 nan 8.360 nan 0.000 0.502 397 Y N -0.072 120.220 120.300 -0.014 0.000 2.477 397 Y HA 0.079 4.629 4.550 -0.001 0.000 0.303 397 Y C -0.300 175.388 175.900 -0.354 0.000 1.202 397 Y CA -0.136 57.870 58.100 -0.157 0.000 1.282 397 Y CB -0.035 38.306 38.460 -0.199 0.000 1.071 397 Y HN -0.229 nan 8.280 nan 0.000 0.510 398 F N 1.336 121.030 119.950 -0.425 0.000 2.436 398 F HA 0.413 4.940 4.527 -0.001 0.000 0.340 398 F C -2.057 173.376 175.800 -0.612 0.000 1.113 398 F CA -3.116 54.475 58.000 -0.682 0.000 1.022 398 F CB 0.754 38.958 39.000 -1.327 0.000 1.128 398 F HN -0.069 nan 8.300 nan 0.000 0.466 399 P HA 0.123 nan 4.420 nan 0.000 0.262 399 P C -0.975 176.248 177.300 -0.128 0.000 1.199 399 P CA -0.001 62.990 63.100 -0.182 0.000 0.763 399 P CB 0.538 32.157 31.700 -0.134 0.000 0.790 400 S N 1.834 117.522 115.700 -0.018 0.000 2.548 400 S HA 0.397 4.867 4.470 -0.001 0.000 0.286 400 S C -0.813 173.884 174.600 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 65.047 63.200 0.274 0.000 1.070 400 S HN 0.431 nan 8.310 nan 0.000 0.480 401 Q N 1.960 121.886 119.800 0.210 0.000 2.279 401 Q HA 0.413 4.753 4.340 -0.001 0.000 0.256 401 Q C -1.004 175.099 176.000 0.172 0.000 0.937 401 Q CA -0.268 55.654 55.803 0.197 0.000 0.933 401 Q CB 0.582 29.491 28.738 0.286 0.000 1.189 401 Q HN 0.747 nan 8.270 nan 0.000 0.417 402 M N 4.300 123.979 119.600 0.133 0.000 2.209 402 M HA 0.339 4.819 4.480 -0.001 0.000 0.355 402 M C -1.180 175.184 176.300 0.108 0.000 1.171 402 M CA -0.678 54.686 55.300 0.107 0.000 1.069 402 M CB 0.983 33.628 32.600 0.076 0.000 1.622 402 M HN 0.445 nan 8.290 nan 0.000 0.459 403 L N 2.651 123.937 121.223 0.106 0.000 2.362 403 L HA 0.604 4.943 4.340 -0.001 0.000 0.275 403 L C -0.176 176.748 176.870 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 -0.097 120.450 120.500 0.079 0.000 2.606 404 R HA 0.650 4.989 4.340 -0.001 0.000 0.249 404 R C -0.523 175.818 176.300 0.069 0.000 1.127 404 R CA -0.537 55.599 56.100 0.060 0.000 1.133 404 R CB 1.016 31.343 30.300 0.046 0.000 1.243 404 R HN 0.639 nan 8.270 nan 0.000 0.558 405 T N 0.813 115.397 114.554 0.050 0.000 2.784 405 T HA 0.336 4.685 4.350 -0.001 0.000 0.291 405 T C 0.786 175.521 174.700 0.058 0.000 0.942 405 T CA 0.951 63.081 62.100 0.050 0.000 1.161 405 T CB 0.523 69.406 68.868 0.026 0.000 0.885 405 T HN 0.784 nan 8.240 nan 0.000 0.534 406 G N 3.555 112.402 108.800 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 1.655 120.420 118.700 0.109 0.000 2.508 407 N HA 0.598 5.338 4.740 -0.001 0.000 0.285 407 N C -0.135 175.480 175.510 0.175 0.000 1.144 407 N CA -0.121 53.006 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 -0.345 118.467 118.700 0.186 0.000 2.455 408 N HA 0.439 5.179 4.740 -0.001 0.000 0.278 408 N C -1.760 173.921 175.510 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 0.210 0.000 1.520 408 N HN 0.359 nan 8.380 nan 0.000 0.486 409 F N -0.013 120.030 119.950 0.156 0.000 2.520 409 F HA 0.532 5.059 4.527 -0.000 0.000 0.322 409 F C -0.692 175.209 175.800 0.167 0.000 1.103 409 F CA -0.454 57.640 58.000 0.157 0.000 0.926 409 F CB 2.031 41.137 39.000 0.176 0.000 1.154 409 F HN 0.569 nan 8.300 nan 0.000 0.453 410 Q N 5.112 124.544 119.800 -0.613 0.000 2.375 410 Q HA 0.612 4.952 4.340 -0.001 0.000 0.271 410 Q C -2.097 173.675 176.000 -0.381 0.000 1.074 410 Q CA -0.609 54.993 55.803 -0.335 0.000 0.808 410 Q CB 2.167 30.789 28.738 -0.193 0.000 1.327 410 Q HN 0.679 nan 8.270 nan 0.000 0.441 411 F N 1.051 120.870 119.950 -0.218 0.000 2.622 411 F HA 0.599 5.126 4.527 -0.001 0.000 0.318 411 F C -1.527 174.263 175.800 -0.016 0.000 1.135 411 F CA -0.251 57.679 58.000 -0.116 0.000 1.015 411 F CB 1.681 40.684 39.000 0.005 0.000 1.275 411 F HN 0.484 nan 8.300 nan 0.000 0.457 412 S N 5.175 120.367 115.700 -0.846 0.000 2.500 412 S HA 0.561 5.031 4.470 -0.001 0.000 0.301 412 S C -1.893 172.186 174.600 -0.868 0.000 1.092 412 S CA -0.555 57.244 58.200 -0.668 0.000 1.030 412 S CB 1.667 64.644 63.200 -0.371 0.000 1.031 412 S HN 0.623 nan 8.310 nan 0.000 0.483 413 Y N 1.352 121.224 120.300 -0.713 0.000 2.545 413 Y HA 0.638 5.188 4.550 -0.001 0.000 0.348 413 Y C -0.958 174.674 175.900 -0.447 0.000 1.002 413 Y CA -0.470 57.277 58.100 -0.589 0.000 1.039 413 Y CB 1.802 39.957 38.460 -0.507 0.000 1.271 413 Y HN 0.522 nan 8.280 nan 0.000 0.467 414 T N 6.311 120.089 114.554 -1.292 0.000 2.864 414 T HA 0.380 4.730 4.350 -0.001 0.000 0.299 414 T C -0.877 173.109 174.700 -1.190 0.000 1.011 414 T CA -0.432 61.097 62.100 -0.952 0.000 0.975 414 T CB -0.087 68.472 68.868 -0.515 0.000 0.962 414 T HN 0.452 nan 8.240 nan 0.000 0.448 415 F N 2.972 122.469 119.950 -0.755 0.000 2.595 415 F HA 0.137 4.664 4.527 -0.001 0.000 0.359 415 F C 1.626 177.238 175.800 -0.314 0.000 1.147 415 F CA -0.199 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 0.653 120.863 120.200 0.018 0.000 2.622 416 E HA 0.175 4.525 4.350 -0.001 0.000 0.255 416 E C -1.186 175.396 176.600 -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 0.225 4.865 4.640 -0.001 0.000 0.258 417 D C -1.136 175.135 176.300 -0.049 0.000 1.223 417 D CA 0.124 54.092 54.000 -0.055 0.000 0.886 417 D CB 1.192 41.973 40.800 -0.032 0.000 1.120 417 D HN 0.230 nan 8.370 nan 0.000 0.482 418 V N 4.565 124.419 119.914 -0.099 0.000 2.668 418 V HA 0.397 4.516 4.120 -0.001 0.000 0.304 418 V C -2.560 173.499 176.094 -0.058 0.000 1.071 418 V CA -2.218 60.052 62.300 -0.050 0.000 0.894 418 V CB 2.154 33.960 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 -0.438 176.993 177.300 0.219 0.000 1.175 419 P CA 0.398 63.580 63.100 0.137 0.000 0.761 419 P CB 0.008 31.791 31.700 0.139 0.000 0.794 420 F N 1.341 121.384 119.950 0.154 0.000 2.628 420 F HA -0.015 4.512 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 0.654 58.764 58.000 0.184 0.000 1.352 420 F CB -0.093 38.990 39.000 0.139 0.000 1.081 420 F HN 0.430 nan 8.300 nan 0.000 0.605 421 H N 0.652 119.828 119.070 0.176 0.000 2.607 421 H HA 0.259 4.814 4.556 -0.001 0.000 0.367 421 H C -0.381 174.952 175.328 0.008 0.000 1.181 421 H CA -0.556 55.440 56.048 -0.086 0.000 1.402 421 H CB 0.760 30.230 29.762 -0.487 0.000 1.474 421 H HN 0.450 nan 8.280 nan 0.000 0.596 422 S N 2.757 117.846 115.700 -1.018 0.000 2.701 422 S HA 0.065 4.535 4.470 -0.001 0.000 0.317 422 S C 0.201 174.382 174.600 -0.697 0.000 1.149 422 S CA -0.366 57.350 58.200 -0.807 0.000 1.052 422 S CB 0.052 62.632 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 -0.066 174.592 174.600 0.097 0.000 0.966 423 S CA -0.445 57.812 58.200 0.095 0.000 1.017 423 S CB -0.590 62.786 63.200 0.294 0.000 0.780 423 S HN 0.803 nan 8.310 nan 0.000 0.476 424 Y N -1.583 118.599 120.300 -0.198 0.000 2.638 424 Y HA 0.886 5.435 4.550 -0.001 0.000 0.339 424 Y C -0.768 174.915 175.900 -0.361 0.000 1.084 424 Y CA -1.944 55.966 58.100 -0.317 0.000 1.068 424 Y CB 0.780 38.835 38.460 -0.674 0.000 1.294 424 Y HN -0.066 nan 8.280 nan 0.000 0.480 425 A N 1.253 123.940 122.820 -0.223 0.000 2.422 425 A HA 0.524 4.843 4.320 -0.001 0.000 0.302 425 A C -1.542 175.928 177.584 -0.190 0.000 1.041 425 A CA -0.909 50.957 52.037 -0.284 0.000 0.708 425 A CB 0.706 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 1.986 121.053 119.070 -0.005 0.000 2.803 426 H HA 0.127 4.683 4.556 -0.001 0.000 0.330 426 H C 1.250 176.573 175.328 -0.008 0.000 1.057 426 H CA 0.921 56.969 56.048 0.001 0.000 1.458 426 H CB 1.185 30.942 29.762 -0.010 0.000 1.470 426 H HN 0.776 nan 8.280 nan 0.000 0.560 427 S N 2.029 117.791 115.700 0.103 0.000 2.528 427 S HA 0.027 4.496 4.470 -0.001 0.000 0.219 427 S C 0.677 175.314 174.600 0.061 0.000 0.985 427 S CA -0.092 58.149 58.200 0.068 0.000 0.914 427 S CB 0.558 63.794 63.200 0.060 0.000 0.776 427 S HN 0.571 nan 8.310 nan 0.000 0.526 428 Q N 0.657 120.498 119.800 0.068 0.000 2.252 428 Q HA 0.656 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 -0.629 55.193 55.803 0.031 0.000 0.913 428 Q CB 1.854 30.599 28.738 0.011 0.000 1.286 428 Q HN 0.305 nan 8.270 nan 0.000 0.480 429 S N -0.465 115.231 115.700 -0.007 0.000 2.638 429 S HA 0.380 4.850 4.470 -0.001 0.000 0.302 429 S C 0.715 175.295 174.600 -0.032 0.000 1.096 429 S CA -0.610 57.578 58.200 -0.021 0.000 0.953 429 S CB 0.894 64.089 63.200 -0.009 0.000 1.107 429 S HN 0.695 nan 8.310 nan 0.000 0.503 430 L N 1.455 122.658 121.223 -0.035 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 1.889 56.725 54.840 -0.007 0.000 0.745 430 L CB -0.342 41.722 42.059 0.007 0.000 0.894 430 L HN 0.827 nan 8.230 nan 0.000 0.432 431 D N -1.169 119.231 120.400 -0.000 0.000 2.289 431 D HA -0.123 4.517 4.640 -0.001 0.000 0.207 431 D C 0.949 177.241 176.300 -0.012 0.000 0.966 431 D CA 0.383 54.378 54.000 -0.009 0.000 0.868 431 D CB -0.066 40.718 40.800 -0.027 0.000 0.943 431 D HN 0.167 nan 8.370 nan 0.000 0.514 432 R N 0.979 121.474 120.500 -0.009 0.000 3.863 432 R HA 0.229 4.569 4.340 -0.001 0.000 0.304 432 R C 0.730 177.029 176.300 -0.001 0.000 1.485 432 R CA -0.258 55.838 56.100 -0.008 0.000 1.355 432 R CB 0.341 30.637 30.300 -0.006 0.000 1.457 432 R HN 0.215 nan 8.270 nan 0.000 0.669 433 L N 0.410 121.636 121.223 0.006 0.000 2.575 433 L HA 0.197 4.537 4.340 -0.001 0.000 0.228 433 L C 0.439 177.318 176.870 0.015 0.000 1.075 433 L CA 0.762 55.612 54.840 0.016 0.000 0.867 433 L CB 0.156 42.242 42.059 0.044 0.000 1.097 433 L HN 0.158 nan 8.230 nan 0.000 0.485 434 M N -0.720 118.881 119.600 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 55.236 55.300 -0.009 0.000 0.893 434 M CB -0.817 31.764 32.600 -0.032 0.000 1.199 434 M HN -0.135 nan 8.290 nan 0.000 0.482 435 N N 0.478 119.168 118.700 -0.017 0.000 2.422 435 N HA 0.347 5.087 4.740 -0.001 0.000 0.266 435 N C -2.213 173.288 175.510 -0.015 0.000 1.007 435 N CA -1.678 51.364 53.050 -0.012 0.000 0.941 435 N CB 1.054 39.535 38.487 -0.009 0.000 1.115 435 N HN 0.325 nan 8.380 nan 0.000 0.492 436 P HA -0.011 nan 4.420 nan 0.000 0.225 436 P C 0.901 178.196 177.300 -0.009 0.000 1.148 436 P CA 0.643 63.736 63.100 -0.010 0.000 0.779 436 P CB 0.552 32.248 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 1.083 177.951 176.870 -0.004 0.000 1.070 437 L CA 0.757 55.594 54.840 -0.005 0.000 0.820 437 L CB -0.421 41.637 42.059 -0.002 0.000 0.992 437 L HN -0.139 nan 8.230 nan 0.000 0.466 438 I N -0.412 120.153 120.570 -0.007 0.000 2.577 438 I HA 0.283 4.452 4.170 -0.001 0.000 0.305 438 I C -0.513 175.593 176.117 -0.019 0.000 0.986 438 I CA -0.833 60.463 61.300 -0.006 0.000 1.189 438 I CB 1.012 39.012 38.000 0.001 0.000 1.355 438 I HN -0.020 nan 8.210 nan 0.000 0.476 439 D N 2.945 123.334 120.400 -0.018 0.000 2.253 439 D HA 0.359 4.999 4.640 -0.001 0.000 0.249 439 D C 0.059 176.319 176.300 -0.068 0.000 1.049 439 D CA -0.403 53.574 54.000 -0.039 0.000 0.929 439 D CB 0.771 41.553 40.800 -0.030 0.000 1.176 439 D HN 0.338 nan 8.370 nan 0.000 0.437 440 Q N 0.248 119.976 119.800 -0.120 0.000 2.417 440 Q HA 0.138 4.477 4.340 -0.001 0.000 0.241 440 Q C 0.173 176.064 176.000 -0.181 0.000 1.008 440 Q CA -0.238 55.430 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 -0.845 119.421 120.300 -0.057 0.000 2.457 441 Y HA 0.368 4.917 4.550 -0.001 0.000 0.263 441 Y C -0.063 175.819 175.900 -0.031 0.000 1.164 441 Y CA -0.494 57.580 58.100 -0.043 0.000 1.274 441 Y CB 0.297 38.763 38.460 0.010 0.000 1.097 441 Y HN 0.248 nan 8.280 nan 0.000 0.523 442 L N 0.905 122.094 121.223 -0.057 0.000 2.399 442 L HA 0.371 4.710 4.340 -0.001 0.000 0.265 442 L C -1.021 175.827 176.870 -0.036 0.000 1.089 442 L CA -0.946 53.932 54.840 0.063 0.000 0.802 442 L CB 0.937 42.986 42.059 -0.017 0.000 1.180 442 L HN 0.095 nan 8.230 nan 0.000 0.454 443 Y N 0.501 120.862 120.300 0.101 0.000 2.429 443 Y HA 0.461 5.011 4.550 -0.001 0.000 0.342 443 Y C -0.413 175.594 175.900 0.178 0.000 1.004 443 Y CA -0.573 57.583 58.100 0.093 0.000 1.075 443 Y CB 1.792 40.239 38.460 -0.021 0.000 1.214 443 Y HN 0.383 nan 8.280 nan 0.000 0.455 444 Y N 0.373 120.821 120.300 0.246 0.000 2.605 444 Y HA 0.735 5.284 4.550 -0.001 0.000 0.343 444 Y C -1.703 174.400 175.900 0.338 0.000 1.036 444 Y CA -1.752 56.482 58.100 0.223 0.000 1.065 444 Y CB 1.163 39.685 38.460 0.103 0.000 1.288 444 Y HN 0.545 nan 8.280 nan 0.000 0.481 445 L N 2.882 124.313 121.223 0.347 0.000 2.276 445 L HA 0.404 4.744 4.340 -0.001 0.000 0.286 445 L C 0.006 176.927 176.870 0.086 0.000 1.061 445 L CA -0.166 54.739 54.840 0.108 0.000 0.807 445 L CB 0.883 42.979 42.059 0.062 0.000 1.177 445 L HN 1.070 nan 8.230 nan 0.000 0.429 446 N N 2.187 120.854 118.700 -0.054 0.000 2.145 446 N HA 0.173 4.913 4.740 -0.001 0.000 0.219 446 N C -0.488 175.007 175.510 -0.025 0.000 1.266 446 N CA -0.648 52.431 53.050 0.048 0.000 0.902 446 N CB 0.642 39.203 38.487 0.123 0.000 1.078 446 N HN 0.312 nan 8.380 nan 0.000 0.513 447 R N 0.966 121.399 120.500 -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 -0.147 0.000 0.984 447 R CA -0.311 55.725 56.100 -0.107 0.000 0.882 447 R CB 1.479 31.718 30.300 -0.103 0.000 1.180 447 R HN 0.269 nan 8.270 nan 0.000 0.444 448 T N -1.788 112.707 114.554 -0.098 0.000 3.034 448 T HA -0.044 4.305 4.350 -0.001 0.000 0.248 448 T C 1.222 175.876 174.700 -0.076 0.000 1.040 448 T CA 0.485 62.528 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 0.587 nan 8.240 nan 0.000 0.474 449 Q N 0.970 120.735 119.800 -0.059 0.000 2.534 449 Q HA 0.371 4.711 4.340 -0.001 0.000 0.207 449 Q C 1.597 177.572 176.000 -0.041 0.000 0.735 449 Q CA -0.013 55.763 55.803 -0.045 0.000 0.904 449 Q CB -0.566 28.152 28.738 -0.032 0.000 1.294 449 Q HN 0.294 nan 8.270 nan 0.000 0.553 450 G N 2.265 111.044 108.800 -0.035 0.000 2.230 450 G HA2 0.196 4.156 3.960 -0.001 0.000 0.282 450 G HA3 0.196 4.156 3.960 -0.001 0.000 0.282 450 G C -0.308 174.573 174.900 -0.032 0.000 0.999 450 G CA 0.767 45.850 45.100 -0.029 0.000 1.326 450 G HN 0.364 nan 8.290 nan 0.000 0.397 451 T N 0.952 115.489 114.554 -0.028 0.000 2.849 451 T HA 0.307 4.657 4.350 -0.001 0.000 0.272 451 T C 1.025 175.714 174.700 -0.019 0.000 1.046 451 T CA -0.525 61.559 62.100 -0.027 0.000 0.983 451 T CB 0.543 69.394 68.868 -0.027 0.000 1.721 451 T HN 0.164 nan 8.240 nan 0.000 0.594 452 T N 2.730 117.274 114.554 -0.016 0.000 4.216 452 T HA 0.106 4.456 4.350 -0.001 0.000 0.221 452 T C 0.456 175.149 174.700 -0.011 0.000 0.939 452 T CA 0.129 62.222 62.100 -0.011 0.000 1.218 452 T CB -0.788 68.075 68.868 -0.009 0.000 1.266 452 T HN 0.494 nan 8.240 nan 0.000 0.917 453 S N 1.948 117.642 115.700 -0.011 0.000 2.429 453 S HA 0.483 4.953 4.470 -0.001 0.000 0.292 453 S C 1.146 175.741 174.600 -0.008 0.000 1.183 453 S CA 0.178 58.372 58.200 -0.010 0.000 1.088 453 S CB -0.122 63.071 63.200 -0.011 0.000 1.018 453 S HN 0.843 nan 8.310 nan 0.000 0.511 454 G N 3.583 112.379 108.800 -0.008 0.000 4.170 454 G HA2 0.161 4.121 3.960 -0.001 0.000 0.143 454 G HA3 0.161 4.121 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 2.282 116.833 114.554 -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 0.611 62.707 62.100 -0.006 0.000 0.993 455 T CB 1.348 70.213 68.868 -0.005 0.000 0.939 455 T HN 0.608 nan 8.240 nan 0.000 0.449 456 T N 3.657 118.207 114.554 -0.007 0.000 3.760 456 T HA -0.171 4.179 4.350 -0.001 0.000 0.366 456 T C 0.148 174.842 174.700 -0.009 0.000 0.761 456 T CA 0.548 62.644 62.100 -0.007 0.000 1.887 456 T CB -1.210 67.654 68.868 -0.006 0.000 1.811 456 T HN 0.621 nan 8.240 nan 0.000 0.749 457 N N 1.618 120.312 118.700 -0.010 0.000 2.841 457 N HA 0.117 4.857 4.740 -0.001 0.000 0.257 457 N C 1.412 176.914 175.510 -0.015 0.000 1.396 457 N CA -0.503 52.539 53.050 -0.013 0.000 0.823 457 N CB 1.293 39.771 38.487 -0.014 0.000 1.162 457 N HN 0.530 nan 8.380 nan 0.000 0.503 458 Q N 0.282 120.074 119.800 -0.015 0.000 1.984 458 Q HA 0.031 4.371 4.340 -0.001 0.000 0.196 458 Q C 0.252 176.240 176.000 -0.020 0.000 0.975 458 Q CA 0.922 56.716 55.803 -0.015 0.000 0.827 458 Q CB -0.198 28.532 28.738 -0.013 0.000 0.894 458 Q HN 0.320 nan 8.270 nan 0.000 0.438 459 S N -0.842 114.844 115.700 -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 1.068 121.536 120.500 -0.054 0.000 2.579 460 R HA 0.394 4.733 4.340 -0.001 0.000 0.260 460 R C -1.966 174.265 176.300 -0.115 0.000 1.103 460 R CA -0.750 55.310 56.100 -0.066 0.000 0.942 460 R CB 1.054 31.322 30.300 -0.055 0.000 1.251 460 R HN 0.806 nan 8.270 nan 0.000 0.450 461 L N 5.686 126.827 121.223 -0.137 0.000 2.325 461 L HA 0.393 4.733 4.340 -0.001 0.000 0.284 461 L C -0.468 176.142 176.870 -0.433 0.000 1.089 461 L CA -0.225 54.445 54.840 -0.283 0.000 0.836 461 L CB 0.591 42.528 42.059 -0.203 0.000 1.184 461 L HN 0.376 nan 8.230 nan 0.000 0.444 462 L N 4.123 125.011 121.223 -0.560 0.000 2.385 462 L HA 0.573 4.913 4.340 -0.001 0.000 0.273 462 L C -0.830 175.666 176.870 -0.623 0.000 0.990 462 L CA -0.421 54.145 54.840 -0.456 0.000 0.821 462 L CB 1.920 43.855 42.059 -0.207 0.000 1.279 462 L HN 0.336 nan 8.230 nan 0.000 0.412 463 F N 0.273 120.179 119.950 -0.073 0.000 2.522 463 F HA 0.582 5.109 4.527 -0.001 0.000 0.324 463 F C 0.379 176.122 175.800 -0.095 0.000 1.077 463 F CA -0.585 57.354 58.000 -0.101 0.000 0.944 463 F CB 2.198 41.166 39.000 -0.053 0.000 1.175 463 F HN 0.260 nan 8.300 nan 0.000 0.468 464 S N 0.671 116.277 115.700 -0.156 0.000 2.536 464 S HA 0.321 4.791 4.470 -0.001 0.000 0.298 464 S C -1.023 173.385 174.600 -0.319 0.000 1.083 464 S CA -0.868 57.194 58.200 -0.231 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 2.118 121.752 119.800 -0.276 0.000 2.288 465 Q HA 0.544 4.883 4.340 -0.001 0.000 0.258 465 Q C -0.227 175.713 176.000 -0.101 0.000 0.957 465 Q CA -0.712 54.717 55.803 -0.623 0.000 0.919 465 Q CB 0.777 29.082 28.738 -0.721 0.000 1.185 465 Q HN 0.782 nan 8.270 nan 0.000 0.408 466 A N 3.395 126.253 122.820 0.063 0.000 2.565 466 A HA 0.460 4.779 4.320 -0.001 0.000 0.237 466 A C 0.330 177.915 177.584 0.002 0.000 1.053 466 A CA 0.776 52.893 52.037 0.134 0.000 0.755 466 A CB 0.090 19.084 19.000 -0.010 0.000 0.980 466 A HN 0.887 nan 8.150 nan 0.000 0.506 467 G N 1.088 109.898 108.800 0.017 0.000 2.818 467 G HA2 0.597 4.557 3.960 -0.001 0.000 0.286 467 G HA3 0.597 4.557 3.960 -0.001 0.000 0.286 467 G C -2.403 172.486 174.900 -0.018 0.000 1.364 467 G CA -1.027 44.069 45.100 -0.007 0.000 0.938 467 G HN 0.303 nan 8.290 nan 0.000 0.490 468 P HA -0.054 nan 4.420 nan 0.000 0.222 468 P C 1.514 178.806 177.300 -0.013 0.000 1.147 468 P CA 1.065 64.154 63.100 -0.018 0.000 0.790 468 P CB 0.307 32.000 31.700 -0.012 0.000 0.780 469 Q N -0.330 119.469 119.800 -0.003 0.000 2.096 469 Q HA -0.018 4.322 4.340 -0.001 0.000 0.197 469 Q C 1.082 177.083 176.000 0.002 0.000 0.964 469 Q CA 1.330 57.136 55.803 0.005 0.000 0.838 469 Q CB -0.475 28.273 28.738 0.016 0.000 0.906 469 Q HN 0.285 nan 8.270 nan 0.000 0.444 470 S N -0.024 115.679 115.700 0.006 0.000 3.983 470 S HA 0.218 4.688 4.470 -0.001 0.000 0.194 470 S C 0.837 175.384 174.600 -0.088 0.000 1.464 470 S CA -0.314 57.873 58.200 -0.023 0.000 1.021 470 S CB 0.149 63.368 63.200 0.032 0.000 1.424 470 S HN 0.221 nan 8.310 nan 0.000 0.473 471 M N 2.342 121.903 119.600 -0.065 0.000 2.156 471 M HA -0.060 4.420 4.480 -0.001 0.000 0.264 471 M C 1.819 178.063 176.300 -0.093 0.000 1.067 471 M CA 1.565 56.823 55.300 -0.071 0.000 1.131 471 M CB -0.061 32.512 32.600 -0.044 0.000 1.368 471 M HN 0.676 nan 8.290 nan 0.000 0.416 472 S N -0.734 114.911 115.700 -0.092 0.000 2.679 472 S HA 0.210 4.680 4.470 -0.001 0.000 0.233 472 S C 0.888 175.400 174.600 -0.146 0.000 0.951 472 S CA -0.296 57.845 58.200 -0.099 0.000 0.973 472 S CB -0.385 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 -0.490 120.597 121.223 -0.226 0.000 2.993 473 L HA 0.310 4.649 4.340 -0.001 0.000 0.264 473 L C 0.654 177.222 176.870 -0.503 0.000 1.154 473 L CA -0.234 54.370 54.840 -0.393 0.000 0.972 473 L CB 0.173 41.901 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 0.335 4.675 4.340 -0.001 0.000 0.264 474 Q C 0.507 176.391 176.000 -0.193 0.000 1.035 474 Q CA -0.098 55.548 55.803 -0.262 0.000 0.908 474 Q CB 0.969 29.605 28.738 -0.169 0.000 1.280 474 Q HN 0.273 nan 8.270 nan 0.000 0.455 475 A N 1.920 124.650 122.820 -0.151 0.000 2.520 475 A HA 0.196 4.515 4.320 -0.001 0.000 0.235 475 A C -0.040 177.474 177.584 -0.117 0.000 1.065 475 A CA 0.259 52.227 52.037 -0.114 0.000 0.764 475 A CB 0.305 19.247 19.000 -0.098 0.000 1.002 475 A HN 0.577 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 0.228 176.410 176.300 -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 0.231 118.743 118.700 -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 0.339 52.935 53.050 -0.757 0.000 0.881 477 N CB 0.456 38.332 38.487 -1.018 0.000 1.006 477 N HN 0.369 nan 8.380 nan 0.000 0.491 478 W N 0.080 121.379 121.300 -0.002 0.000 3.083 478 W HA 0.546 5.206 4.660 -0.001 0.000 0.333 478 W C -0.696 175.834 176.519 0.019 0.000 1.217 478 W CA -0.767 56.586 57.345 0.012 0.000 1.170 478 W CB 0.811 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 2.017 123.423 121.223 0.305 0.000 2.303 479 L HA 0.652 4.992 4.340 -0.001 0.000 0.266 479 L C -2.142 174.853 176.870 0.208 0.000 1.011 479 L CA -2.724 52.239 54.840 0.204 0.000 0.818 479 L CB 0.536 42.715 42.059 0.200 0.000 1.326 479 L HN 0.068 nan 8.230 nan 0.000 0.435 480 P HA 0.244 nan 4.420 nan 0.000 0.274 480 P C -0.117 177.342 177.300 0.264 0.000 1.256 480 P CA -0.372 62.828 63.100 0.168 0.000 0.795 480 P CB 0.443 32.193 31.700 0.082 0.000 1.038 481 G N 0.676 109.637 108.800 0.268 0.000 2.667 481 G HA2 0.307 4.267 3.960 -0.001 0.000 0.250 481 G HA3 0.307 4.267 3.960 -0.001 0.000 0.250 481 G C -2.281 172.684 174.900 0.108 0.000 1.212 481 G CA -0.933 44.315 45.100 0.246 0.000 0.874 481 G HN 0.362 nan 8.290 nan 0.000 0.561 482 P HA 0.209 nan 4.420 nan 0.000 0.273 482 P C 0.105 177.332 177.300 -0.123 0.000 1.258 482 P CA -0.030 62.943 63.100 -0.213 0.000 0.802 482 P CB 0.599 32.062 31.700 -0.394 0.000 1.040 483 C N -1.864 117.344 119.300 -0.154 0.000 3.285 483 C HA 0.706 5.165 4.460 -0.001 0.000 0.325 483 C C -1.717 173.297 174.990 0.040 0.000 1.304 483 C CA -0.722 58.276 59.018 -0.033 0.000 1.319 483 C CB 0.696 28.458 27.740 0.036 0.000 1.640 483 C HN 0.604 nan 8.230 nan 0.000 0.477 484 Y N 1.719 121.977 120.300 -0.070 0.000 2.379 484 Y HA 0.491 5.041 4.550 -0.001 0.000 0.342 484 Y C 0.340 176.226 175.900 -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 3.691 124.074 120.500 -0.195 0.000 2.500 485 R HA 0.017 4.357 4.340 -0.001 0.000 0.281 485 R C -0.475 175.747 176.300 -0.129 0.000 0.953 485 R CA 0.808 56.825 56.100 -0.137 0.000 1.108 485 R CB 0.495 30.702 30.300 -0.155 0.000 0.901 485 R HN 0.608 nan 8.270 nan 0.000 0.410 486 Q N 2.315 122.073 119.800 -0.070 0.000 2.297 486 Q HA 0.141 4.480 4.340 -0.001 0.000 0.268 486 Q C -0.828 175.110 176.000 -0.104 0.000 1.045 486 Q CA -0.939 54.811 55.803 -0.088 0.000 0.861 486 Q CB 1.833 30.515 28.738 -0.093 0.000 1.344 486 Q HN 0.515 nan 8.270 nan 0.000 0.452 487 Q N 1.230 120.964 119.800 -0.111 0.000 2.327 487 Q HA 0.139 4.479 4.340 -0.001 0.000 0.254 487 Q C -0.759 175.179 176.000 -0.103 0.000 0.952 487 Q CA 0.148 55.901 55.803 -0.083 0.000 0.884 487 Q CB 0.751 29.486 28.738 -0.005 0.000 1.224 487 Q HN 0.386 nan 8.270 nan 0.000 0.422 488 R N 3.129 123.570 120.500 -0.098 0.000 2.308 488 R HA 0.418 4.758 4.340 -0.001 0.000 0.305 488 R C -1.215 175.045 176.300 -0.066 0.000 1.053 488 R CA -0.383 55.655 56.100 -0.103 0.000 0.957 488 R CB 0.294 30.510 30.300 -0.139 0.000 1.022 488 R HN 0.531 nan 8.270 nan 0.000 0.461 489 L N 2.085 123.188 121.223 -0.199 0.000 2.354 489 L HA 0.428 4.768 4.340 -0.001 0.000 0.269 489 L C -0.235 176.601 176.870 -0.058 0.000 1.005 489 L CA -0.171 54.535 54.840 -0.225 0.000 0.819 489 L CB 2.039 43.692 42.059 -0.676 0.000 1.311 489 L HN 0.586 nan 8.230 nan 0.000 0.423 490 S N 0.238 116.000 115.700 0.105 0.000 2.549 490 S HA 0.434 4.904 4.470 -0.001 0.000 0.297 490 S C 0.771 175.454 174.600 0.137 0.000 1.115 490 S CA -0.578 57.638 58.200 0.026 0.000 1.059 490 S CB 1.038 64.208 63.200 -0.049 0.000 1.046 490 S HN 0.644 nan 8.310 nan 0.000 0.506 491 K N 1.325 121.780 120.400 0.092 0.000 2.288 491 K HA 0.027 4.346 4.320 -0.001 0.000 0.201 491 K C 0.223 176.834 176.600 0.017 0.000 1.048 491 K CA 0.691 57.032 56.287 0.091 0.000 0.956 491 K CB -0.223 32.275 32.500 -0.003 0.000 0.746 491 K HN 0.496 nan 8.250 nan 0.000 0.461 492 T N 1.871 116.406 114.554 -0.031 0.000 2.738 492 T HA 0.179 4.529 4.350 -0.001 0.000 0.293 492 T C 0.598 175.308 174.700 0.018 0.000 0.913 492 T CA -0.289 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 3.889 126.724 122.820 0.025 0.000 2.223 493 A HA 0.045 4.365 4.320 -0.001 0.000 0.222 493 A C 1.613 179.223 177.584 0.043 0.000 1.317 493 A CA 0.102 52.164 52.037 0.041 0.000 0.985 493 A CB -0.671 18.347 19.000 0.030 0.000 0.858 493 A HN 0.948 nan 8.150 nan 0.000 0.496 494 N N -2.654 116.072 118.700 0.043 0.000 2.067 494 N HA -0.028 4.711 4.740 -0.001 0.000 0.227 494 N C -0.330 175.214 175.510 0.057 0.000 1.348 494 N CA 0.250 53.327 53.050 0.045 0.000 0.879 494 N CB 0.099 38.604 38.487 0.030 0.000 1.109 494 N HN 0.113 nan 8.380 nan 0.000 0.501 495 D N 1.022 121.463 120.400 0.068 0.000 2.277 495 D HA 0.069 4.708 4.640 -0.001 0.000 0.208 495 D C 0.181 176.550 176.300 0.115 0.000 0.962 495 D CA 0.672 54.731 54.000 0.099 0.000 0.865 495 D CB 0.015 40.895 40.800 0.132 0.000 0.939 495 D HN 0.268 nan 8.370 nan 0.000 0.510 496 N N 1.107 119.880 118.700 0.121 0.000 2.445 496 N HA 0.013 4.753 4.740 -0.001 0.000 0.264 496 N C 0.059 175.643 175.510 0.123 0.000 1.227 496 N CA -0.276 52.864 53.050 0.151 0.000 0.963 496 N CB 0.395 39.010 38.487 0.214 0.000 1.188 496 N HN 0.026 nan 8.380 nan 0.000 0.491 497 N N 0.858 119.627 118.700 0.116 0.000 2.492 497 N HA -0.088 4.652 4.740 -0.001 0.000 0.262 497 N C -0.258 175.340 175.510 0.148 0.000 1.202 497 N CA 0.235 53.325 53.050 0.066 0.000 0.926 497 N CB 0.086 38.525 38.487 -0.080 0.000 1.078 497 N HN 0.450 nan 8.380 nan 0.000 0.454 498 N N 1.878 120.634 118.700 0.093 0.000 3.193 498 N HA -0.025 4.715 4.740 -0.001 0.000 0.312 498 N C -1.038 174.538 175.510 0.110 0.000 1.261 498 N CA -0.164 52.943 53.050 0.095 0.000 1.208 498 N CB -0.122 38.399 38.487 0.058 0.000 1.471 498 N HN 0.493 nan 8.380 nan 0.000 0.548 499 S N 0.310 116.123 115.700 0.188 0.000 2.537 499 S HA 0.195 4.665 4.470 -0.001 0.000 0.270 499 S C -0.952 173.836 174.600 0.313 0.000 1.142 499 S CA -1.123 57.202 58.200 0.209 0.000 0.870 499 S CB 1.427 64.732 63.200 0.174 0.000 1.112 499 S HN 0.244 nan 8.310 nan 0.000 0.466 500 N N 1.338 120.151 118.700 0.188 0.000 2.439 500 N HA 0.430 5.170 4.740 -0.001 0.000 0.243 500 N C -0.397 175.210 175.510 0.161 0.000 1.088 500 N CA -0.844 52.261 53.050 0.091 0.000 0.940 500 N CB -0.316 38.197 38.487 0.044 0.000 1.180 500 N HN 0.677 nan 8.380 nan 0.000 0.505 501 F N 1.791 121.780 119.950 0.065 0.000 2.805 501 F HA 0.550 5.077 4.527 -0.001 0.000 0.317 501 F C -2.022 173.837 175.800 0.099 0.000 1.146 501 F CA -1.601 56.441 58.000 0.070 0.000 1.265 501 F CB 0.672 39.691 39.000 0.032 0.000 0.992 501 F HN 0.242 nan 8.300 nan 0.000 0.511 502 P HA -0.035 nan 4.420 nan 0.000 0.249 502 P C 0.617 178.064 177.300 0.244 0.000 1.241 502 P CA 1.004 64.108 63.100 0.007 0.000 0.781 502 P CB -0.093 31.586 31.700 -0.035 0.000 1.088 503 W N -0.518 120.807 121.300 0.042 0.000 3.900 503 W HA 0.028 4.687 4.660 -0.001 0.000 0.186 503 W C 0.506 177.064 176.519 0.066 0.000 1.082 503 W CA 0.664 58.035 57.345 0.042 0.000 1.537 503 W CB 0.017 29.482 29.460 0.008 0.000 0.639 503 W HN -0.108 nan 8.180 nan 0.000 0.912 504 T N -0.681 113.937 114.554 0.106 0.000 3.100 504 T HA 0.346 4.695 4.350 -0.001 0.000 0.253 504 T C 1.166 175.865 174.700 -0.001 0.000 1.118 504 T CA 0.956 63.057 62.100 0.003 0.000 1.058 504 T CB 0.363 69.303 68.868 0.120 0.000 0.953 504 T HN 0.084 nan 8.240 nan 0.000 0.515 505 A N 0.204 123.072 122.820 0.080 0.000 2.600 505 A HA 0.831 5.151 4.320 -0.001 0.000 0.252 505 A C 0.992 178.624 177.584 0.080 0.000 1.200 505 A CA -0.025 52.061 52.037 0.081 0.000 0.981 505 A CB 0.148 19.238 19.000 0.150 0.000 1.207 505 A HN 0.613 nan 8.150 nan 0.000 0.577 506 A N 0.294 123.158 122.820 0.074 0.000 2.302 506 A HA 0.630 4.950 4.320 -0.001 0.000 0.285 506 A C 0.364 177.981 177.584 0.053 0.000 1.105 506 A CA -0.182 51.929 52.037 0.124 0.000 0.816 506 A CB 0.252 19.417 19.000 0.275 0.000 1.067 506 A HN 0.298 nan 8.150 nan 0.000 0.489 507 S N 1.387 117.165 115.700 0.130 0.000 2.510 507 S HA 0.381 4.851 4.470 -0.001 0.000 0.279 507 S C -0.009 174.715 174.600 0.208 0.000 1.284 507 S CA -0.163 58.130 58.200 0.156 0.000 1.059 507 S CB 0.001 63.323 63.200 0.203 0.000 0.901 507 S HN 0.636 nan 8.310 nan 0.000 0.491 508 K N 1.664 122.145 120.400 0.135 0.000 2.509 508 K HA 0.598 4.918 4.320 -0.001 0.000 0.266 508 K C -1.354 175.323 176.600 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 -1.513 118.818 120.300 0.053 0.000 2.630 509 Y HA 0.620 5.170 4.550 -0.001 0.000 0.337 509 Y C -0.691 175.284 175.900 0.125 0.000 1.051 509 Y CA -1.021 57.118 58.100 0.065 0.000 1.121 509 Y CB 1.534 39.983 38.460 -0.019 0.000 1.299 509 Y HN 0.751 nan 8.280 nan 0.000 0.498 510 H N 1.750 120.961 119.070 0.233 0.000 2.865 510 H HA 0.628 5.183 4.556 -0.001 0.000 0.362 510 H C -2.393 173.064 175.328 0.216 0.000 1.114 510 H CA -1.183 54.947 56.048 0.137 0.000 1.208 510 H CB 1.618 31.416 29.762 0.059 0.000 1.727 510 H HN 0.886 nan 8.280 nan 0.000 0.534 511 L N 3.498 124.764 121.223 0.072 0.000 2.385 511 L HA 0.236 4.576 4.340 -0.001 0.000 0.273 511 L C 0.544 177.465 176.870 0.085 0.000 0.990 511 L CA -0.849 53.990 54.840 -0.001 0.000 0.821 511 L CB 1.546 43.672 42.059 0.112 0.000 1.279 511 L HN 0.839 nan 8.230 nan 0.000 0.412 512 N N 2.374 121.108 118.700 0.056 0.000 2.741 512 N HA -0.185 4.555 4.740 -0.001 0.000 0.250 512 N C 0.697 176.306 175.510 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 -0.357 108.629 108.800 0.310 0.000 2.160 513 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.244 513 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.244 513 G C -0.146 174.901 174.900 0.244 0.000 1.022 513 G CA 0.525 45.816 45.100 0.319 0.000 0.741 513 G HN 0.722 nan 8.290 nan 0.000 0.508 514 R N 0.495 121.166 120.500 0.284 0.000 2.451 514 R HA 0.370 4.710 4.340 -0.001 0.000 0.307 514 R C -1.137 175.277 176.300 0.190 0.000 0.965 514 R CA -0.842 55.379 56.100 0.201 0.000 0.865 514 R CB 0.764 31.166 30.300 0.169 0.000 1.174 514 R HN 0.088 nan 8.270 nan 0.000 0.455 515 D N 1.755 122.256 120.400 0.168 0.000 2.425 515 D HA 0.134 4.773 4.640 -0.001 0.000 0.247 515 D C -0.710 175.619 176.300 0.048 0.000 1.147 515 D CA 0.808 54.870 54.000 0.104 0.000 0.879 515 D CB 1.491 42.376 40.800 0.141 0.000 1.179 515 D HN 0.374 nan 8.370 nan 0.000 0.456 516 S N 1.527 117.063 115.700 -0.272 0.000 2.571 516 S HA 0.285 4.755 4.470 -0.001 0.000 0.284 516 S C -0.612 173.708 174.600 -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 3.926 125.068 121.223 -0.134 0.000 2.418 517 L HA 0.336 4.676 4.340 -0.001 0.000 0.274 517 L C -0.357 176.474 176.870 -0.066 0.000 1.135 517 L CA 0.111 54.891 54.840 -0.100 0.000 0.870 517 L CB 0.531 42.572 42.059 -0.030 0.000 1.154 517 L HN 0.522 nan 8.230 nan 0.000 0.462 518 V N 6.894 126.841 119.914 0.054 0.000 2.242 518 V HA 0.024 4.143 4.120 -0.001 0.000 0.242 518 V C 1.241 177.424 176.094 0.147 0.000 1.240 518 V CA 0.028 62.444 62.300 0.194 0.000 1.211 518 V CB -0.697 31.282 31.823 0.259 0.000 1.338 518 V HN 0.918 nan 8.190 nan 0.000 0.499 519 N N 6.354 125.074 118.700 0.033 0.000 2.054 519 N HA 0.010 4.750 4.740 -0.001 0.000 0.193 519 N C -1.813 173.837 175.510 0.233 0.000 1.066 519 N CA 0.799 53.863 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 0.367 nan 8.380 nan 0.000 0.431 520 P HA 0.277 nan 4.420 nan 0.000 0.251 520 P C -0.241 177.137 177.300 0.131 0.000 1.718 520 P CA -0.378 62.810 63.100 0.147 0.000 1.119 520 P CB 0.810 32.574 31.700 0.108 0.000 1.762 521 G N 4.637 113.528 108.800 0.152 0.000 2.479 521 G HA2 0.234 4.194 3.960 -0.001 0.000 0.275 521 G HA3 0.234 4.194 3.960 -0.001 0.000 0.275 521 G C -2.250 172.690 174.900 0.066 0.000 1.421 521 G CA -1.196 43.964 45.100 0.100 0.000 1.059 521 G HN 0.216 nan 8.290 nan 0.000 0.535 522 P HA 0.205 nan 4.420 nan 0.000 0.269 522 P C -0.183 177.143 177.300 0.042 0.000 1.205 522 P CA 0.274 63.368 63.100 -0.010 0.000 0.780 522 P CB 0.312 31.972 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 0.358 4.678 4.320 -0.001 0.000 0.282 523 A C 0.123 177.760 177.584 0.089 0.000 1.163 523 A CA 0.363 52.458 52.037 0.097 0.000 0.827 523 A CB -0.973 18.113 19.000 0.143 0.000 1.098 523 A HN 0.421 nan 8.150 nan 0.000 0.515 524 M N 2.063 121.721 119.600 0.096 0.000 2.644 524 M HA 0.588 5.067 4.480 -0.001 0.000 0.304 524 M C 0.233 176.587 176.300 0.090 0.000 1.215 524 M CA -0.546 54.807 55.300 0.089 0.000 0.871 524 M CB 2.242 34.892 32.600 0.083 0.000 1.740 524 M HN 0.635 nan 8.290 nan 0.000 0.464 525 A N 0.893 123.755 122.820 0.070 0.000 2.425 525 A HA 0.356 4.675 4.320 -0.001 0.000 0.249 525 A C 0.783 178.412 177.584 0.075 0.000 1.084 525 A CA -0.259 51.809 52.037 0.051 0.000 0.781 525 A CB 0.263 19.265 19.000 0.004 0.000 1.019 525 A HN 0.924 nan 8.150 nan 0.000 0.490 526 S N 0.647 116.413 115.700 0.109 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 59.838 58.200 0.219 0.000 0.978 526 S CB -0.280 63.121 63.200 0.334 0.000 0.833 526 S HN 0.956 nan 8.310 nan 0.000 0.466 527 H N 0.281 119.419 119.070 0.114 0.000 3.016 527 H HA 0.507 5.063 4.556 -0.001 0.000 0.362 527 H C -1.034 174.344 175.328 0.085 0.000 1.233 527 H CA -1.211 54.907 56.048 0.116 0.000 1.124 527 H CB 0.948 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 0.989 121.451 120.400 0.103 0.000 2.117 528 K HA 0.200 4.520 4.320 -0.001 0.000 0.240 528 K C -0.622 176.033 176.600 0.091 0.000 1.031 528 K CA -0.693 55.613 56.287 0.032 0.000 0.909 528 K CB 0.611 33.133 32.500 0.035 0.000 1.097 528 K HN 0.342 nan 8.250 nan 0.000 0.492 529 D N 1.082 121.514 120.400 0.054 0.000 2.443 529 D HA 0.008 4.647 4.640 -0.001 0.000 0.239 529 D C -0.409 175.963 176.300 0.120 0.000 1.136 529 D CA 0.906 54.955 54.000 0.081 0.000 0.879 529 D CB 0.226 41.051 40.800 0.043 0.000 1.195 529 D HN 0.602 nan 8.370 nan 0.000 0.443 530 D N 1.362 121.844 120.400 0.136 0.000 2.835 530 D HA -0.155 4.484 4.640 -0.001 0.000 0.230 530 D C 0.585 176.971 176.300 0.142 0.000 1.130 530 D CA 0.860 54.930 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 0.441 177.064 176.600 0.039 0.000 1.267 531 E CA -0.143 56.372 56.400 0.192 0.000 1.353 531 E CB 0.344 30.244 29.700 0.334 0.000 2.031 531 E HN 0.049 nan 8.360 nan 0.000 0.522 532 E N 0.889 121.002 120.200 -0.145 0.000 2.586 532 E HA -0.257 4.093 4.350 -0.001 0.000 0.259 532 E C 0.262 176.675 176.600 -0.312 0.000 1.107 532 E CA 1.452 57.529 56.400 -0.539 0.000 0.754 532 E CB -1.135 28.457 29.700 -0.179 0.000 1.335 532 E HN 0.391 nan 8.360 nan 0.000 0.411 533 K N -1.823 118.434 120.400 -0.238 0.000 2.574 533 K HA 0.161 4.481 4.320 -0.001 0.000 0.215 533 K C 0.040 176.496 176.600 -0.239 0.000 1.485 533 K CA -0.160 55.969 56.287 -0.263 0.000 1.006 533 K CB 0.207 32.477 32.500 -0.383 0.000 1.254 533 K HN 0.032 nan 8.250 nan 0.000 0.580 534 F N 3.563 123.539 119.950 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 -1.310 56.733 58.000 0.072 0.000 1.149 534 F CB 0.590 39.609 39.000 0.031 0.000 1.160 534 F HN 0.014 nan 8.300 nan 0.000 0.501 535 F N 3.160 123.205 119.950 0.158 0.000 2.470 535 F HA 0.827 5.353 4.527 -0.001 0.000 0.329 535 F C -3.008 172.861 175.800 0.115 0.000 1.072 535 F CA -3.623 54.451 58.000 0.123 0.000 0.989 535 F CB 0.498 39.536 39.000 0.064 0.000 1.193 535 F HN 0.110 nan 8.300 nan 0.000 0.481 536 P HA 0.109 nan 4.420 nan 0.000 0.271 536 P C -0.453 176.721 177.300 -0.209 0.000 1.218 536 P CA -0.426 62.614 63.100 -0.100 0.000 0.780 536 P CB 0.739 32.446 31.700 0.011 0.000 0.901 537 M N 4.991 124.411 119.600 -0.300 0.000 2.734 537 M HA -0.050 4.430 4.480 -0.001 0.000 0.356 537 M C 0.925 176.892 176.300 -0.555 0.000 1.790 537 M CA 0.720 55.830 55.300 -0.317 0.000 1.231 537 M CB -1.300 31.130 32.600 -0.284 0.000 2.102 537 M HN 0.559 nan 8.290 nan 0.000 0.463 538 H N 1.168 120.343 119.070 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 0.155 0.000 1.142 538 H CB -2.194 27.633 29.762 0.108 0.000 1.410 538 H HN 0.917 nan 8.280 nan 0.000 0.409 539 G N 0.916 109.781 108.800 0.108 0.000 3.262 539 G HA2 0.107 4.066 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 0.356 175.353 174.900 0.161 0.000 1.197 539 G CA 0.325 45.497 45.100 0.121 0.000 0.819 539 G HN 0.916 nan 8.290 nan 0.000 0.531 540 N N -1.197 117.601 118.700 0.163 0.000 3.322 540 N HA 0.112 4.851 4.740 -0.001 0.000 0.233 540 N C -1.728 173.798 175.510 0.027 0.000 1.399 540 N CA -0.843 52.276 53.050 0.115 0.000 0.894 540 N CB 0.828 39.389 38.487 0.123 0.000 1.440 540 N HN -0.188 nan 8.380 nan 0.000 0.503 541 L N 0.799 121.985 121.223 -0.061 0.000 2.367 541 L HA 0.442 4.781 4.340 -0.001 0.000 0.275 541 L C 0.060 176.664 176.870 -0.443 0.000 1.129 541 L CA 0.133 54.813 54.840 -0.267 0.000 0.839 541 L CB 0.144 41.999 42.059 -0.339 0.000 1.133 541 L HN 0.473 nan 8.230 nan 0.000 0.453 542 I N 3.739 124.041 120.570 -0.447 0.000 2.406 542 I HA 0.343 4.513 4.170 -0.001 0.000 0.290 542 I C -0.663 175.187 176.117 -0.444 0.000 0.999 542 I CA -0.408 60.671 61.300 -0.368 0.000 1.124 542 I CB 1.014 38.903 38.000 -0.186 0.000 1.289 542 I HN 0.308 nan 8.210 nan 0.000 0.441 543 F N 3.081 122.986 119.950 -0.074 0.000 2.422 543 F HA 0.580 5.106 4.527 -0.001 0.000 0.333 543 F C 1.069 176.837 175.800 -0.054 0.000 1.095 543 F CA -0.643 57.326 58.000 -0.052 0.000 1.038 543 F CB 1.657 40.628 39.000 -0.049 0.000 1.156 543 F HN 0.420 nan 8.300 nan 0.000 0.483 544 G N 2.740 111.629 108.800 0.149 0.000 2.353 544 G HA2 0.337 4.297 3.960 -0.001 0.000 0.284 544 G HA3 0.337 4.297 3.960 -0.001 0.000 0.284 544 G C -0.564 174.362 174.900 0.043 0.000 1.172 544 G CA -0.743 44.393 45.100 0.060 0.000 0.854 544 G HN 0.545 nan 8.290 nan 0.000 0.485 545 K N 0.791 121.191 120.400 0.001 0.000 2.286 545 K HA 0.063 4.382 4.320 -0.001 0.000 0.256 545 K C 0.315 176.894 176.600 -0.034 0.000 0.999 545 K CA -0.176 56.090 56.287 -0.035 0.000 0.908 545 K CB 0.650 33.118 32.500 -0.054 0.000 0.981 545 K HN 0.517 nan 8.250 nan 0.000 0.500 546 E N 0.344 120.507 120.200 -0.061 0.000 2.415 546 E HA 0.082 4.431 4.350 -0.001 0.000 0.263 546 E C -0.187 176.391 176.600 -0.038 0.000 0.995 546 E CA 1.087 57.458 56.400 -0.048 0.000 0.915 546 E CB 0.307 29.962 29.700 -0.075 0.000 0.951 546 E HN 0.636 nan 8.360 nan 0.000 0.449 547 G N 3.568 112.357 108.800 -0.019 0.000 2.540 547 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.260 547 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.260 547 G C -0.451 174.437 174.900 -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 1.206 115.753 114.554 -0.012 0.000 3.705 548 T HA 0.433 4.782 4.350 -0.001 0.000 0.342 548 T C 0.376 175.071 174.700 -0.009 0.000 1.043 548 T CA -0.104 61.988 62.100 -0.014 0.000 1.071 548 T CB 1.197 70.055 68.868 -0.016 0.000 1.124 548 T HN 0.637 nan 8.240 nan 0.000 0.467 549 T N 2.382 116.930 114.554 -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 0.458 69.318 68.868 -0.013 0.000 1.035 549 T HN 0.758 nan 8.240 nan 0.000 0.547 550 A N 1.956 124.769 122.820 -0.011 0.000 2.206 550 A HA 0.232 4.551 4.320 -0.001 0.000 0.211 550 A C 1.396 178.967 177.584 -0.022 0.000 1.158 550 A CA 0.235 52.263 52.037 -0.014 0.000 0.761 550 A CB 0.186 19.180 19.000 -0.012 0.000 0.801 550 A HN 0.563 nan 8.150 nan 0.000 0.473 551 S N 0.360 116.047 115.700 -0.022 0.000 2.498 551 S HA 0.410 4.879 4.470 -0.001 0.000 0.324 551 S C -0.443 174.142 174.600 -0.025 0.000 1.071 551 S CA -0.672 57.513 58.200 -0.026 0.000 1.113 551 S CB -0.436 62.749 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 -0.333 175.164 175.510 -0.022 0.000 1.151 552 N CA 0.535 53.570 53.050 -0.024 0.000 0.749 552 N CB -0.538 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 0.578 4.898 4.320 -0.001 0.000 0.305 553 A C 0.466 178.036 177.584 -0.024 0.000 1.097 553 A CA -0.391 51.632 52.037 -0.022 0.000 0.849 553 A CB 0.768 19.755 19.000 -0.023 0.000 1.142 553 A HN 0.464 nan 8.150 nan 0.000 0.499 554 E N -0.716 119.469 120.200 -0.025 0.000 2.374 554 E HA 0.244 4.594 4.350 -0.001 0.000 0.260 554 E C 0.842 177.422 176.600 -0.034 0.000 1.101 554 E CA -0.268 56.117 56.400 -0.026 0.000 0.907 554 E CB 0.699 30.383 29.700 -0.025 0.000 1.014 554 E HN 0.513 nan 8.360 nan 0.000 0.427 555 L N 2.076 123.279 121.223 -0.034 0.000 2.191 555 L HA -0.067 4.273 4.340 -0.001 0.000 0.212 555 L C 0.688 177.522 176.870 -0.060 0.000 1.103 555 L CA 1.807 56.617 54.840 -0.050 0.000 0.769 555 L CB -0.096 41.939 42.059 -0.040 0.000 0.908 555 L HN 0.521 nan 8.230 nan 0.000 0.438 556 D N -0.701 119.670 120.400 -0.048 0.000 2.328 556 D HA -0.004 4.636 4.640 -0.001 0.000 0.226 556 D C 0.816 177.087 176.300 -0.048 0.000 1.066 556 D CA 0.275 54.246 54.000 -0.049 0.000 0.861 556 D CB -0.018 40.757 40.800 -0.041 0.000 0.912 556 D HN 0.374 nan 8.370 nan 0.000 0.521 557 N N 0.043 118.715 118.700 -0.047 0.000 2.184 557 N HA 0.037 4.776 4.740 -0.001 0.000 0.206 557 N C -0.016 175.470 175.510 -0.041 0.000 1.151 557 N CA 0.057 53.081 53.050 -0.042 0.000 0.878 557 N CB 1.668 40.134 38.487 -0.035 0.000 1.014 557 N HN 0.072 nan 8.380 nan 0.000 0.512 558 V N -2.182 117.701 119.914 -0.051 0.000 3.074 558 V HA 0.660 4.780 4.120 -0.001 0.000 0.314 558 V C -0.412 175.647 176.094 -0.057 0.000 1.117 558 V CA -0.986 61.285 62.300 -0.049 0.000 1.014 558 V CB 2.512 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 3.280 122.863 119.600 -0.028 0.000 2.043 559 M HA 0.583 5.063 4.480 -0.001 0.000 0.322 559 M C -0.998 175.272 176.300 -0.050 0.000 0.962 559 M CA -0.145 55.144 55.300 -0.017 0.000 0.927 559 M CB 1.532 34.163 32.600 0.051 0.000 1.466 559 M HN 0.560 nan 8.290 nan 0.000 0.412 560 I N 2.605 123.102 120.570 -0.122 0.000 2.365 560 I HA 0.324 4.494 4.170 -0.001 0.000 0.291 560 I C 0.631 176.690 176.117 -0.097 0.000 1.004 560 I CA -0.661 60.535 61.300 -0.174 0.000 1.311 560 I CB 1.455 39.248 38.000 -0.344 0.000 1.401 560 I HN 0.597 nan 8.210 nan 0.000 0.491 561 T N 0.520 115.017 114.554 -0.094 0.000 2.806 561 T HA 0.279 4.628 4.350 -0.001 0.000 0.290 561 T C -0.488 174.254 174.700 0.071 0.000 0.966 561 T CA -0.839 61.223 62.100 -0.064 0.000 1.060 561 T CB 1.607 70.309 68.868 -0.277 0.000 0.927 561 T HN 0.409 nan 8.240 nan 0.000 0.485 562 D N 1.947 122.437 120.400 0.149 0.000 2.329 562 D HA 0.183 4.822 4.640 -0.001 0.000 0.232 562 D C -0.120 176.328 176.300 0.246 0.000 1.088 562 D CA -0.509 53.621 54.000 0.216 0.000 0.835 562 D CB 0.914 41.850 40.800 0.227 0.000 1.078 562 D HN 0.447 nan 8.370 nan 0.000 0.495 563 E N 3.335 123.670 120.200 0.226 0.000 2.360 563 E HA 0.058 4.408 4.350 -0.001 0.000 0.253 563 E C 0.055 176.715 176.600 0.100 0.000 1.189 563 E CA -0.056 56.453 56.400 0.182 0.000 1.252 563 E CB 0.238 30.045 29.700 0.178 0.000 1.408 563 E HN 0.656 nan 8.360 nan 0.000 0.464 564 E N -0.248 119.997 120.200 0.075 0.000 2.569 564 E HA 0.128 4.477 4.350 -0.001 0.000 0.205 564 E C 0.193 176.778 176.600 -0.025 0.000 1.006 564 E CA -0.003 56.375 56.400 -0.036 0.000 0.985 564 E CB 0.303 29.961 29.700 -0.070 0.000 1.060 564 E HN -0.035 nan 8.360 nan 0.000 0.460 565 E N 0.738 120.935 120.200 -0.004 0.000 2.431 565 E HA 0.136 4.485 4.350 -0.001 0.000 0.200 565 E C 1.479 178.070 176.600 -0.016 0.000 0.995 565 E CA 0.237 56.620 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 -1.978 118.596 120.570 0.006 0.000 3.858 566 I HA 0.291 4.460 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 -0.184 61.138 61.300 0.036 0.000 1.169 566 I CB 0.183 38.213 38.000 0.050 0.000 1.077 566 I HN -0.134 nan 8.210 nan 0.000 0.403 567 R N 1.410 121.917 120.500 0.012 0.000 2.152 567 R HA -0.088 4.252 4.340 -0.001 0.000 0.232 567 R C 2.184 178.490 176.300 0.009 0.000 1.117 567 R CA 1.986 58.084 56.100 -0.004 0.000 0.981 567 R CB -0.368 29.913 30.300 -0.033 0.000 0.870 567 R HN 0.649 nan 8.270 nan 0.000 0.451 568 T N -3.213 111.355 114.554 0.024 0.000 3.067 568 T HA -0.010 4.340 4.350 -0.001 0.000 0.257 568 T C 1.711 176.402 174.700 -0.016 0.000 1.105 568 T CA 1.137 63.240 62.100 0.006 0.000 1.104 568 T CB 0.217 69.094 68.868 0.017 0.000 0.925 568 T HN 0.303 nan 8.240 nan 0.000 0.498 569 T N -1.895 112.667 114.554 0.014 0.000 2.955 569 T HA 0.317 4.667 4.350 -0.001 0.000 0.251 569 T C 0.360 175.113 174.700 0.089 0.000 1.002 569 T CA -0.538 61.573 62.100 0.019 0.000 0.970 569 T CB -0.270 68.600 68.868 0.003 0.000 1.091 569 T HN 0.383 nan 8.240 nan 0.000 0.495 570 N N 2.197 120.948 118.700 0.085 0.000 2.319 570 N HA 0.573 5.313 4.740 -0.001 0.000 0.305 570 N C -3.132 172.422 175.510 0.074 0.000 1.103 570 N CA -2.018 51.095 53.050 0.105 0.000 0.815 570 N CB 2.021 40.575 38.487 0.112 0.000 1.288 570 N HN 0.058 nan 8.380 nan 0.000 0.493 571 P HA 0.054 nan 4.420 nan 0.000 0.272 571 P C -0.673 176.664 177.300 0.063 0.000 1.223 571 P CA -0.377 62.769 63.100 0.076 0.000 0.784 571 P CB 0.617 32.421 31.700 0.174 0.000 0.923 572 V N 1.969 121.905 119.914 0.037 0.000 2.572 572 V HA 0.115 4.234 4.120 -0.001 0.000 0.291 572 V C 1.719 177.839 176.094 0.042 0.000 1.039 572 V CA 0.532 62.852 62.300 0.033 0.000 1.055 572 V CB -0.037 31.794 31.823 0.014 0.000 0.969 572 V HN 0.721 nan 8.190 nan 0.000 0.482 573 A N 4.254 127.104 122.820 0.051 0.000 1.908 573 A HA -0.162 4.157 4.320 -0.001 0.000 0.218 573 A C 2.254 179.844 177.584 0.009 0.000 1.181 573 A CA 2.400 54.463 52.037 0.045 0.000 0.627 573 A CB -0.693 18.343 19.000 0.060 0.000 0.818 573 A HN 1.016 nan 8.150 nan 0.000 0.445 574 T N -2.698 111.855 114.554 -0.002 0.000 3.009 574 T HA 0.073 4.422 4.350 -0.001 0.000 0.258 574 T C 0.815 175.484 174.700 -0.051 0.000 1.063 574 T CA 0.392 62.467 62.100 -0.041 0.000 1.139 574 T CB -0.204 68.632 68.868 -0.053 0.000 0.890 574 T HN 0.392 nan 8.240 nan 0.000 0.471 575 E N 2.372 122.553 120.200 -0.032 0.000 2.397 575 E HA 0.174 4.524 4.350 -0.001 0.000 0.254 575 E C 0.603 177.193 176.600 -0.017 0.000 1.231 575 E CA -0.208 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 -0.352 119.438 119.800 -0.016 0.000 2.492 576 Q HA 0.016 4.356 4.340 -0.001 0.000 0.184 576 Q C 0.680 176.725 176.000 0.075 0.000 1.126 576 Q CA -0.037 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 -1.538 118.739 120.300 -0.038 0.000 2.609 577 Y HA 0.429 4.979 4.550 -0.001 0.000 0.281 577 Y C 0.536 176.424 175.900 -0.020 0.000 1.132 577 Y CA 1.082 59.166 58.100 -0.026 0.000 1.264 577 Y CB 1.219 39.663 38.460 -0.027 0.000 1.325 577 Y HN 0.865 nan 8.280 nan 0.000 0.514 578 G N -0.983 107.828 108.800 0.019 0.000 2.399 578 G HA2 0.307 4.266 3.960 -0.001 0.000 0.256 578 G HA3 0.307 4.266 3.960 -0.001 0.000 0.256 578 G C -1.432 173.477 174.900 0.015 0.000 1.236 578 G CA -0.380 44.686 45.100 -0.057 0.000 0.914 578 G HN -0.065 nan 8.290 nan 0.000 0.482 579 T N 0.089 114.645 114.554 0.004 0.000 2.829 579 T HA 0.678 5.027 4.350 -0.001 0.000 0.280 579 T C -0.661 174.056 174.700 0.029 0.000 0.999 579 T CA -0.320 61.788 62.100 0.012 0.000 0.983 579 T CB 1.716 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 1.678 121.608 119.914 0.028 0.000 2.789 580 V HA 0.804 4.924 4.120 -0.001 0.000 0.311 580 V C 0.111 176.216 176.094 0.017 0.000 1.073 580 V CA -1.305 61.013 62.300 0.029 0.000 0.921 580 V CB 1.824 33.668 31.823 0.035 0.000 1.009 580 V HN 1.089 nan 8.190 nan 0.000 0.426 581 A N 3.057 125.887 122.820 0.017 0.000 2.322 581 A HA 0.705 5.024 4.320 -0.001 0.000 0.269 581 A C 0.412 178.002 177.584 0.010 0.000 1.094 581 A CA -0.304 51.740 52.037 0.012 0.000 0.807 581 A CB 0.174 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 1.191 119.895 118.700 0.006 0.000 2.604 582 N HA 0.125 4.865 4.740 -0.001 0.000 0.284 582 N C -1.237 174.275 175.510 0.003 0.000 1.716 582 N CA -0.404 52.649 53.050 0.004 0.000 0.859 582 N CB 0.111 38.599 38.487 0.002 0.000 1.403 582 N HN 0.743 nan 8.380 nan 0.000 0.501 583 N N -0.249 118.453 118.700 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 0.048 nan 8.380 nan 0.000 0.503 584 L N 1.556 122.782 121.223 0.005 0.000 2.353 584 L HA 0.247 4.587 4.340 -0.001 0.000 0.269 584 L C 0.402 177.275 176.870 0.005 0.000 1.085 584 L CA -0.846 53.998 54.840 0.006 0.000 0.938 584 L CB 0.229 42.291 42.059 0.006 0.000 1.312 584 L HN 0.622 nan 8.230 nan 0.000 0.429 585 Q N 2.560 122.363 119.800 0.005 0.000 2.386 585 Q HA 0.417 4.756 4.340 -0.001 0.000 0.282 585 Q C -0.000 176.001 176.000 0.003 0.000 1.050 585 Q CA -0.042 55.763 55.803 0.003 0.000 0.918 585 Q CB 1.175 29.915 28.738 0.003 0.000 1.266 585 Q HN 0.586 nan 8.270 nan 0.000 0.423 586 S N 0.131 115.831 115.700 0.000 0.000 2.694 586 S HA 0.339 4.809 4.470 -0.001 0.000 0.273 586 S C 0.408 175.006 174.600 -0.002 0.000 1.180 586 S CA -0.336 57.864 58.200 -0.000 0.000 0.864 586 S CB 0.069 63.270 63.200 0.001 0.000 1.198 586 S HN 0.958 nan 8.310 nan 0.000 0.499 587 S N 1.172 116.870 115.700 -0.003 0.000 2.419 587 S HA -0.105 4.365 4.470 -0.001 0.000 0.233 587 S C 1.188 175.786 174.600 -0.004 0.000 1.016 587 S CA 1.290 59.488 58.200 -0.004 0.000 0.974 587 S CB -0.869 62.329 63.200 -0.004 0.000 0.786 587 S HN 0.639 nan 8.310 nan 0.000 0.492 588 N N 1.218 119.916 118.700 -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 0.044 38.530 38.487 -0.002 0.000 0.991 588 N HN 0.385 nan 8.380 nan 0.000 0.441 589 T N 0.389 114.941 114.554 -0.002 0.000 2.841 589 T HA 0.620 4.969 4.350 -0.001 0.000 0.283 589 T C -0.467 174.232 174.700 -0.003 0.000 1.000 589 T CA -0.746 61.353 62.100 -0.002 0.000 0.977 589 T CB 2.464 71.331 68.868 -0.001 0.000 0.979 589 T HN 0.090 nan 8.240 nan 0.000 0.446 590 A N 4.727 127.545 122.820 -0.003 0.000 2.331 590 A HA 0.674 4.994 4.320 -0.001 0.000 0.283 590 A C -2.243 175.340 177.584 -0.003 0.000 1.142 590 A CA -1.665 50.369 52.037 -0.004 0.000 0.812 590 A CB -0.181 18.816 19.000 -0.005 0.000 1.074 590 A HN 0.558 nan 8.150 nan 0.000 0.497 591 P HA 0.109 nan 4.420 nan 0.000 0.264 591 P C -0.391 176.908 177.300 -0.002 0.000 1.193 591 P CA 0.496 63.596 63.100 -0.001 0.000 0.763 591 P CB 0.417 32.117 31.700 -0.000 0.000 0.810 592 T N 2.249 116.803 114.554 -0.001 0.000 2.855 592 T HA 0.419 4.769 4.350 -0.001 0.000 0.281 592 T C 0.030 174.730 174.700 -0.001 0.000 1.007 592 T CA -0.280 61.819 62.100 -0.002 0.000 1.009 592 T CB 1.187 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 3.108 117.660 114.554 -0.003 0.000 2.856 593 T HA 0.558 4.907 4.350 -0.001 0.000 0.283 593 T C -0.480 174.217 174.700 -0.004 0.000 1.008 593 T CA -0.767 61.332 62.100 -0.002 0.000 0.997 593 T CB 1.091 69.956 68.868 -0.004 0.000 0.992 593 T HN 0.266 nan 8.240 nan 0.000 0.454 594 R N 2.133 122.633 120.500 -0.000 0.000 2.480 594 R HA 0.363 4.703 4.340 -0.001 0.000 0.306 594 R C -0.930 175.371 176.300 0.003 0.000 0.958 594 R CA -0.472 55.627 56.100 -0.002 0.000 0.861 594 R CB 1.379 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 4.403 4.350 -0.001 0.000 0.293 595 T C 0.045 174.748 174.700 0.006 0.000 0.913 595 T CA -0.055 62.044 62.100 -0.001 0.000 1.103 595 T CB 0.538 69.396 68.868 -0.016 0.000 0.880 595 T HN 0.351 nan 8.240 nan 0.000 0.526 596 V N 5.473 125.409 119.914 0.038 0.000 2.455 596 V HA 0.221 4.341 4.120 -0.001 0.000 0.273 596 V C 0.570 176.683 176.094 0.032 0.000 1.045 596 V CA -0.157 62.168 62.300 0.043 0.000 0.976 596 V CB 0.440 32.326 31.823 0.106 0.000 0.993 596 V HN 0.804 nan 8.190 nan 0.000 0.475 597 N N 4.345 123.024 118.700 -0.035 0.000 2.294 597 N HA 0.158 4.897 4.740 -0.001 0.000 0.186 597 N C -0.426 175.004 175.510 -0.133 0.000 1.107 597 N CA 0.185 53.189 53.050 -0.076 0.000 0.884 597 N CB 0.600 39.021 38.487 -0.110 0.000 1.030 597 N HN 0.809 nan 8.380 nan 0.000 0.482 598 D N 0.591 120.910 120.400 -0.135 0.000 2.855 598 D HA 0.195 4.834 4.640 -0.001 0.000 0.241 598 D C -1.508 174.677 176.300 -0.191 0.000 1.277 598 D CA -0.363 53.548 54.000 -0.148 0.000 0.918 598 D CB 1.420 42.156 40.800 -0.108 0.000 1.462 598 D HN -0.256 nan 8.370 nan 0.000 0.559 599 Q N 2.739 122.364 119.800 -0.292 0.000 2.309 599 Q HA 0.652 4.992 4.340 -0.001 0.000 0.270 599 Q C 0.099 175.920 176.000 -0.298 0.000 1.023 599 Q CA -0.740 54.815 55.803 -0.413 0.000 0.758 599 Q CB 1.634 29.786 28.738 -0.976 0.000 1.247 599 Q HN 0.525 nan 8.270 nan 0.000 0.455 600 G N 2.072 110.740 108.800 -0.220 0.000 2.479 600 G HA2 0.464 4.424 3.960 -0.001 0.000 0.275 600 G HA3 0.464 4.424 3.960 -0.001 0.000 0.275 600 G C -0.477 174.276 174.900 -0.244 0.000 1.421 600 G CA -0.092 44.875 45.100 -0.222 0.000 1.059 600 G HN 0.828 nan 8.290 nan 0.000 0.535 601 A N -1.509 121.157 122.820 -0.257 0.000 2.304 601 A HA 0.715 5.035 4.320 -0.001 0.000 0.271 601 A C -0.405 177.156 177.584 -0.037 0.000 1.091 601 A CA -0.218 51.706 52.037 -0.189 0.000 0.812 601 A CB 0.497 19.332 19.000 -0.275 0.000 1.056 601 A HN 0.574 nan 8.150 nan 0.000 0.489 602 L N 0.888 122.152 121.223 0.068 0.000 2.482 602 L HA 0.361 4.701 4.340 -0.001 0.000 0.263 602 L C -2.587 174.387 176.870 0.173 0.000 0.957 602 L CA -1.847 53.056 54.840 0.105 0.000 0.836 602 L CB 2.645 44.763 42.059 0.098 0.000 1.324 602 L HN 0.429 nan 8.230 nan 0.000 0.406 603 P HA 0.164 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 0.454 32.222 31.700 0.113 0.000 0.815 604 G N 2.365 111.318 108.800 0.254 0.000 2.227 604 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.168 604 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.168 604 G C 0.132 175.267 174.900 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 1.337 121.145 119.600 0.347 0.000 2.233 605 M HA 0.521 5.001 4.480 -0.001 0.000 0.350 605 M C 0.470 177.002 176.300 0.386 0.000 1.176 605 M CA -0.208 55.320 55.300 0.380 0.000 1.150 605 M CB 1.540 34.377 32.600 0.395 0.000 1.530 605 M HN 0.481 nan 8.290 nan 0.000 0.459 606 V N 0.861 120.960 119.914 0.307 0.000 2.686 606 V HA 0.834 4.954 4.120 -0.001 0.000 0.306 606 V C -1.609 174.607 176.094 0.203 0.000 1.065 606 V CA -0.680 61.667 62.300 0.078 0.000 0.894 606 V CB 1.205 32.938 31.823 -0.151 0.000 1.004 606 V HN 1.076 nan 8.190 nan 0.000 0.424 607 W N 2.460 123.737 121.300 -0.038 0.000 3.029 607 W HA 0.887 5.546 4.660 -0.001 0.000 0.339 607 W C -1.017 175.482 176.519 -0.034 0.000 1.198 607 W CA -1.065 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 1.971 121.876 119.800 0.176 0.000 2.274 608 Q HA 0.308 4.648 4.340 -0.001 0.000 0.260 608 Q C -0.401 175.718 176.000 0.198 0.000 0.974 608 Q CA -0.264 55.585 55.803 0.076 0.000 0.876 608 Q CB 1.322 30.088 28.738 0.046 0.000 1.297 608 Q HN 0.410 nan 8.270 nan 0.000 0.446 609 D N 1.058 121.542 120.400 0.141 0.000 2.414 609 D HA 0.204 4.844 4.640 -0.001 0.000 0.259 609 D C 0.484 176.874 176.300 0.149 0.000 1.269 609 D CA -0.193 53.933 54.000 0.211 0.000 1.028 609 D CB 0.603 41.538 40.800 0.225 0.000 1.093 609 D HN 0.464 nan 8.370 nan 0.000 0.545 610 R N -0.302 120.303 120.500 0.175 0.000 3.213 610 R HA 0.245 4.585 4.340 -0.001 0.000 0.188 610 R C -0.266 176.142 176.300 0.181 0.000 0.931 610 R CA 0.080 56.283 56.100 0.172 0.000 1.218 610 R CB 0.025 30.440 30.300 0.190 0.000 0.742 610 R HN 0.424 nan 8.270 nan 0.000 0.484 611 D N -0.842 119.655 120.400 0.161 0.000 2.581 611 D HA 0.318 4.958 4.640 -0.001 0.000 0.232 611 D C -1.631 174.556 176.300 -0.189 0.000 1.143 611 D CA -0.557 53.458 54.000 0.025 0.000 0.881 611 D CB 1.982 42.683 40.800 -0.165 0.000 1.500 611 D HN 0.243 nan 8.370 nan 0.000 0.458 612 V N 0.158 119.827 119.914 -0.408 0.000 2.483 612 V HA 0.694 4.813 4.120 -0.001 0.000 0.295 612 V C -1.078 174.840 176.094 -0.292 0.000 1.035 612 V CA -0.491 61.658 62.300 -0.252 0.000 0.896 612 V CB 0.760 32.397 31.823 -0.310 0.000 0.986 612 V HN 0.439 nan 8.190 nan 0.000 0.447 613 Y N 2.718 123.126 120.300 0.179 0.000 2.549 613 Y HA 0.581 5.130 4.550 -0.001 0.000 0.339 613 Y C 0.857 176.587 175.900 -0.284 0.000 1.053 613 Y CA -1.077 57.079 58.100 0.094 0.000 1.105 613 Y CB 1.515 40.062 38.460 0.144 0.000 1.258 613 Y HN 0.587 nan 8.280 nan 0.000 0.478 614 L N 1.411 122.283 121.223 -0.585 0.000 2.151 614 L HA -0.243 4.096 4.340 -0.001 0.000 0.215 614 L C 1.710 178.360 176.870 -0.367 0.000 1.084 614 L CA 2.052 56.191 54.840 -1.167 0.000 0.764 614 L CB -0.438 41.005 42.059 -1.027 0.000 0.891 614 L HN 0.825 nan 8.230 nan 0.000 0.435 615 Q N -1.387 118.301 119.800 -0.187 0.000 2.179 615 Q HA 0.304 4.644 4.340 -0.001 0.000 0.213 615 Q C 0.662 176.682 176.000 0.033 0.000 0.833 615 Q CA 0.375 56.167 55.803 -0.018 0.000 0.990 615 Q CB -0.302 28.284 28.738 -0.253 0.000 1.132 615 Q HN 0.363 nan 8.270 nan 0.000 0.493 616 G N 2.278 111.234 108.800 0.259 0.000 2.547 616 G HA2 0.478 4.438 3.960 -0.001 0.000 0.291 616 G HA3 0.478 4.438 3.960 -0.001 0.000 0.291 616 G C -2.717 172.375 174.900 0.320 0.000 1.211 616 G CA -1.254 44.138 45.100 0.486 0.000 0.950 616 G HN 0.059 nan 8.290 nan 0.000 0.504 617 P HA 0.184 nan 4.420 nan 0.000 0.270 617 P C 0.434 177.700 177.300 -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 32.723 31.700 0.019 0.000 0.923 618 I N -1.048 119.350 120.570 -0.287 0.000 2.900 618 I HA 0.181 4.351 4.170 -0.001 0.000 0.251 618 I C 0.679 176.984 176.117 0.313 0.000 1.102 618 I CA 0.556 61.749 61.300 -0.178 0.000 1.457 618 I CB -0.297 37.644 38.000 -0.098 0.000 1.285 618 I HN 0.445 nan 8.210 nan 0.000 0.459 619 W N 1.051 122.470 121.300 0.198 0.000 3.207 619 W HA 0.827 5.487 4.660 -0.000 0.000 0.326 619 W C -1.201 175.430 176.519 0.187 0.000 1.190 619 W CA -1.218 56.279 57.345 0.254 0.000 1.011 619 W CB 0.821 30.472 29.460 0.317 0.000 1.511 619 W HN -0.068 nan 8.180 nan 0.000 0.606 620 A N 1.327 124.428 122.820 0.468 0.000 2.555 620 A HA 0.450 4.769 4.320 -0.001 0.000 0.297 620 A C -1.555 176.175 177.584 0.243 0.000 1.060 620 A CA -1.091 51.119 52.037 0.289 0.000 0.710 620 A CB 1.469 20.565 19.000 0.159 0.000 1.282 620 A HN 0.699 nan 8.150 nan 0.000 0.399 621 K N 3.538 124.029 120.400 0.151 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 -0.236 31.976 32.500 -0.481 0.000 1.049 621 K HN 0.615 nan 8.250 nan 0.000 0.471 622 I N 7.584 128.079 120.570 -0.125 0.000 2.742 622 I HA -0.043 4.127 4.170 -0.001 0.000 0.287 622 I C -1.780 174.249 176.117 -0.147 0.000 1.186 622 I CA -1.576 59.628 61.300 -0.160 0.000 1.417 622 I CB 0.098 37.924 38.000 -0.291 0.000 1.377 622 I HN 0.473 nan 8.210 nan 0.000 0.556 623 P HA -0.094 nan 4.420 nan 0.000 0.265 623 P C -0.541 176.821 177.300 0.103 0.000 1.187 623 P CA 0.166 63.293 63.100 0.046 0.000 0.766 623 P CB 0.282 32.036 31.700 0.090 0.000 0.820 624 H N 1.782 120.871 119.070 0.032 0.000 2.982 624 H HA 0.271 4.826 4.556 -0.001 0.000 0.261 624 H C 0.251 175.635 175.328 0.092 0.000 1.603 624 H CA 0.012 56.096 56.048 0.060 0.000 1.398 624 H CB -0.542 29.220 29.762 0.001 0.000 1.693 624 H HN 0.322 nan 8.280 nan 0.000 0.535 625 T N -0.669 113.895 114.554 0.018 0.000 2.870 625 T HA 0.148 4.498 4.350 -0.001 0.000 0.277 625 T C 1.003 175.559 174.700 -0.240 0.000 1.000 625 T CA -0.900 61.161 62.100 -0.066 0.000 0.982 625 T CB 1.173 70.018 68.868 -0.037 0.000 1.249 625 T HN 0.233 nan 8.240 nan 0.000 0.589 626 D N 0.417 120.704 120.400 -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 1.096 54.980 54.000 -0.195 0.000 0.852 626 D CB -0.165 40.573 40.800 -0.103 0.000 0.947 626 D HN 0.826 nan 8.370 nan 0.000 0.494 627 G N -0.641 107.893 108.800 -0.443 0.000 2.746 627 G HA2 0.496 4.456 3.960 -0.001 0.000 0.297 627 G HA3 0.496 4.456 3.960 -0.001 0.000 0.297 627 G C -1.340 173.205 174.900 -0.593 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 1.323 120.406 119.070 0.021 0.000 2.928 628 H HA 0.512 5.067 4.556 -0.001 0.000 0.371 628 H C -0.430 174.978 175.328 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 0.850 120.893 119.950 0.154 0.000 2.324 629 F HA 0.092 4.619 4.527 -0.001 0.000 0.260 629 F C 0.830 176.767 175.800 0.227 0.000 1.073 629 F CA 0.692 58.782 58.000 0.150 0.000 1.073 629 F CB 0.345 39.408 39.000 0.106 0.000 1.114 629 F HN 0.514 nan 8.300 nan 0.000 0.588 630 H N 1.955 121.037 119.070 0.020 0.000 2.439 630 H HA 0.345 4.901 4.556 -0.001 0.000 0.239 630 H C -2.386 173.025 175.328 0.138 0.000 1.432 630 H CA -2.149 53.890 56.048 -0.015 0.000 1.373 630 H CB 0.240 30.113 29.762 0.185 0.000 1.463 630 H HN 0.068 nan 8.280 nan 0.000 0.530 631 P HA -0.008 nan 4.420 nan 0.000 0.235 631 P C -0.381 176.914 177.300 -0.008 0.000 1.670 631 P CA 0.321 63.414 63.100 -0.013 0.000 1.017 631 P CB -0.335 31.289 31.700 -0.127 0.000 1.945 632 S N 1.904 117.669 115.700 0.108 0.000 2.437 632 S HA 0.502 4.972 4.470 -0.001 0.000 0.305 632 S C -2.499 172.193 174.600 0.152 0.000 1.109 632 S CA -2.107 56.180 58.200 0.146 0.000 1.099 632 S CB 0.270 63.630 63.200 0.267 0.000 1.004 632 S HN -0.025 nan 8.310 nan 0.000 0.475 633 P HA 0.033 nan 4.420 nan 0.000 0.258 633 P C 0.720 178.091 177.300 0.120 0.000 1.172 633 P CA 0.205 63.373 63.100 0.113 0.000 0.762 633 P CB 0.282 32.049 31.700 0.112 0.000 0.764 634 L N 2.440 123.727 121.223 0.107 0.000 2.127 634 L HA -0.166 4.173 4.340 -0.001 0.000 0.211 634 L C 2.065 179.002 176.870 0.112 0.000 1.089 634 L CA 1.567 56.471 54.840 0.106 0.000 0.757 634 L CB -0.416 41.693 42.059 0.082 0.000 0.899 634 L HN 0.489 nan 8.230 nan 0.000 0.434 635 M N -0.860 118.802 119.600 0.103 0.000 2.619 635 M HA 0.141 4.620 4.480 -0.001 0.000 0.251 635 M C 0.725 177.112 176.300 0.144 0.000 1.106 635 M CA 0.501 55.867 55.300 0.109 0.000 1.086 635 M CB -0.016 32.632 32.600 0.080 0.000 1.465 635 M HN 0.335 nan 8.290 nan 0.000 0.506 636 G N -0.140 108.739 108.800 0.131 0.000 2.674 636 G HA2 0.291 4.251 3.960 -0.001 0.000 0.686 636 G HA3 0.291 4.251 3.960 -0.001 0.000 0.686 636 G C -0.366 174.578 174.900 0.074 0.000 1.195 636 G CA -0.628 44.543 45.100 0.119 0.000 0.776 636 G HN 0.732 nan 8.290 nan 0.000 0.654 637 G N -0.547 108.227 108.800 -0.043 0.000 2.297 637 G HA2 0.451 4.411 3.960 -0.001 0.000 0.209 637 G HA3 0.451 4.411 3.960 -0.001 0.000 0.209 637 G C -0.649 174.078 174.900 -0.288 0.000 1.267 637 G CA -0.080 44.905 45.100 -0.192 0.000 1.127 637 G HN 1.625 nan 8.290 nan 0.000 0.498 638 F N 1.968 122.059 119.950 0.234 0.000 2.388 638 F HA 0.568 5.095 4.527 -0.001 0.000 0.358 638 F C 1.131 177.043 175.800 0.188 0.000 1.122 638 F CA 0.069 58.179 58.000 0.185 0.000 1.056 638 F CB 2.013 41.113 39.000 0.166 0.000 1.155 638 F HN 0.712 nan 8.300 nan 0.000 0.461 639 G N 5.178 114.133 108.800 0.258 0.000 2.360 639 G HA2 0.515 4.475 3.960 -0.001 0.000 0.279 639 G HA3 0.515 4.475 3.960 -0.001 0.000 0.279 639 G C -0.821 174.150 174.900 0.117 0.000 1.189 639 G CA -0.417 44.774 45.100 0.151 0.000 0.941 639 G HN 0.580 nan 8.290 nan 0.000 0.445 640 L N 3.117 124.401 121.223 0.101 0.000 2.356 640 L HA 0.360 4.699 4.340 -0.001 0.000 0.277 640 L C 1.156 177.947 176.870 -0.133 0.000 0.996 640 L CA -1.115 53.748 54.840 0.038 0.000 0.822 640 L CB 2.217 44.351 42.059 0.125 0.000 1.256 640 L HN 0.425 nan 8.230 nan 0.000 0.413 641 K N 1.037 121.312 120.400 -0.208 0.000 2.026 641 K HA -0.035 4.285 4.320 -0.001 0.000 0.208 641 K C 0.324 176.468 176.600 -0.760 0.000 1.048 641 K CA 1.353 57.359 56.287 -0.469 0.000 0.929 641 K CB 0.043 32.267 32.500 -0.461 0.000 0.713 641 K HN 0.541 nan 8.250 nan 0.000 0.439 642 H N 0.581 119.526 119.070 -0.208 0.000 2.645 642 H HA 0.312 4.867 4.556 -0.001 0.000 0.257 642 H C -2.413 172.916 175.328 0.001 0.000 1.269 642 H CA -2.228 53.668 56.048 -0.253 0.000 1.409 642 H CB 1.149 30.909 29.762 -0.003 0.000 1.434 642 H HN 0.058 nan 8.280 nan 0.000 0.505 643 P HA 0.195 nan 4.420 nan 0.000 0.281 643 P C -2.647 174.447 177.300 -0.343 0.000 1.264 643 P CA -2.155 60.842 63.100 -0.171 0.000 0.824 643 P CB 0.266 31.891 31.700 -0.125 0.000 1.092 644 P HA -0.030 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 -0.084 62.317 63.100 -1.165 0.000 0.805 644 P CB -1.278 29.736 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 0.289 63.284 63.100 -0.176 0.000 0.788 645 P CB 0.656 32.128 31.700 -0.379 0.000 0.904 646 Q N 0.497 120.140 119.800 -0.262 0.000 2.286 646 Q HA 0.344 4.684 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 -0.387 55.173 55.803 -0.404 0.000 0.912 646 Q CB 0.292 28.743 28.738 -0.479 0.000 1.192 646 Q HN 0.314 nan 8.270 nan 0.000 0.410 647 I N 3.112 123.382 120.570 -0.500 0.000 2.307 647 I HA 0.199 4.368 4.170 -0.001 0.000 0.289 647 I C -0.418 175.453 176.117 -0.410 0.000 1.021 647 I CA -0.146 60.812 61.300 -0.569 0.000 1.224 647 I CB 0.803 38.401 38.000 -0.670 0.000 1.376 647 I HN 0.499 nan 8.210 nan 0.000 0.470 648 M N 6.646 125.838 119.600 -0.680 0.000 2.359 648 M HA 0.610 5.090 4.480 -0.001 0.000 0.322 648 M C -0.740 175.525 176.300 -0.058 0.000 1.166 648 M CA -0.357 54.660 55.300 -0.472 0.000 1.067 648 M CB 1.443 33.413 32.600 -1.049 0.000 1.523 648 M HN 0.494 nan 8.290 nan 0.000 0.467 649 I N 2.253 122.957 120.570 0.223 0.000 2.775 649 I HA 0.684 4.853 4.170 -0.001 0.000 0.295 649 I C -1.845 174.302 176.117 0.049 0.000 1.287 649 I CA -0.234 61.149 61.300 0.138 0.000 1.029 649 I CB 1.694 39.657 38.000 -0.063 0.000 1.282 649 I HN 0.683 nan 8.210 nan 0.000 0.426 650 K N 3.459 123.736 120.400 -0.204 0.000 2.598 650 K HA 0.548 4.868 4.320 -0.001 0.000 0.271 650 K C -2.011 174.412 176.600 -0.295 0.000 0.947 650 K CA -0.698 55.337 56.287 -0.420 0.000 0.854 650 K CB 0.610 32.427 32.500 -1.138 0.000 1.401 650 K HN 0.326 nan 8.250 nan 0.000 0.415 651 N N 1.192 119.784 118.700 -0.179 0.000 2.442 651 N HA 0.177 4.916 4.740 -0.001 0.000 0.265 651 N C -0.870 174.564 175.510 -0.128 0.000 1.138 651 N CA -0.316 52.680 53.050 -0.090 0.000 0.956 651 N CB 1.085 39.567 38.487 -0.009 0.000 1.067 651 N HN 0.655 nan 8.380 nan 0.000 0.474 652 T N 4.071 118.551 114.554 -0.122 0.000 2.829 652 T HA 0.100 4.449 4.350 -0.001 0.000 0.293 652 T C -2.187 172.391 174.700 -0.203 0.000 0.970 652 T CA -0.593 61.416 62.100 -0.152 0.000 1.168 652 T CB 0.074 68.888 68.868 -0.090 0.000 0.911 652 T HN 0.284 nan 8.240 nan 0.000 0.535 653 P HA 0.138 nan 4.420 nan 0.000 0.263 653 P C -0.821 176.259 177.300 -0.367 0.000 1.195 653 P CA -0.143 62.492 63.100 -0.774 0.000 0.762 653 P CB 0.381 31.420 31.700 -1.102 0.000 0.799 654 V N 7.247 127.044 119.914 -0.194 0.000 2.334 654 V HA 0.266 4.386 4.120 -0.001 0.000 0.281 654 V C -2.111 174.113 176.094 0.217 0.000 1.016 654 V CA -2.158 60.149 62.300 0.011 0.000 0.832 654 V CB 1.461 33.300 31.823 0.027 0.000 0.999 654 V HN 0.454 nan 8.190 nan 0.000 0.439 655 P HA 0.139 nan 4.420 nan 0.000 0.263 655 P C 0.237 177.628 177.300 0.151 0.000 1.195 655 P CA 0.457 63.625 63.100 0.114 0.000 0.762 655 P CB 0.688 32.202 31.700 -0.310 0.000 0.799 656 A N 4.366 127.317 122.820 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 -0.054 52.076 52.037 0.155 0.000 0.847 656 A CB -0.349 18.720 19.000 0.114 0.000 1.473 656 A HN 0.596 nan 8.150 nan 0.000 0.602 657 N N 0.801 119.564 118.700 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 -0.882 52.222 53.050 0.091 0.000 0.961 657 N CB 0.310 38.826 38.487 0.048 0.000 1.067 657 N HN 0.236 nan 8.380 nan 0.000 0.468 658 P HA 0.487 nan 4.420 nan 0.000 0.287 658 P C -2.632 174.714 177.300 0.077 0.000 1.270 658 P CA -1.252 61.950 63.100 0.169 0.000 0.844 658 P CB 0.292 32.125 31.700 0.221 0.000 1.068 659 P HA 0.229 nan 4.420 nan 0.000 0.277 659 P C 0.530 177.861 177.300 0.052 0.000 1.240 659 P CA -0.203 62.911 63.100 0.023 0.000 0.798 659 P CB 0.334 32.025 31.700 -0.015 0.000 0.979 660 T N -1.233 113.346 114.554 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 1.241 63.373 62.100 0.052 0.000 1.119 660 T CB -0.204 68.686 68.868 0.037 0.000 0.900 660 T HN 0.477 nan 8.240 nan 0.000 0.503 661 T N 1.030 115.622 114.554 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 61.180 62.100 0.087 0.000 1.042 661 T CB 0.256 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 4.255 124.218 119.950 0.021 0.000 2.484 662 F HA 0.494 5.020 4.527 -0.001 0.000 0.360 662 F C 0.332 176.146 175.800 0.023 0.000 1.101 662 F CA -0.044 57.973 58.000 0.029 0.000 1.251 662 F CB 0.640 39.657 39.000 0.029 0.000 1.132 662 F HN 0.448 nan 8.300 nan 0.000 0.570 663 S N 6.925 122.120 115.700 -0.842 0.000 2.605 663 S HA 0.510 4.980 4.470 -0.001 0.000 0.308 663 S C -1.904 172.142 174.600 -0.924 0.000 1.113 663 S CA -1.283 56.498 58.200 -0.699 0.000 1.049 663 S CB 1.410 64.408 63.200 -0.337 0.000 1.001 663 S HN 0.532 nan 8.310 nan 0.000 0.480 664 P HA 0.224 nan 4.420 nan 0.000 0.236 664 P C 0.165 177.373 177.300 -0.154 0.000 1.177 664 P CA 0.148 63.048 63.100 -0.333 0.000 0.773 664 P CB -0.041 31.591 31.700 -0.113 0.000 0.878 665 A N 0.910 123.628 122.820 -0.170 0.000 2.531 665 A HA 0.028 4.347 4.320 -0.001 0.000 0.236 665 A C 0.579 178.131 177.584 -0.053 0.000 1.062 665 A CA -0.210 51.767 52.037 -0.100 0.000 0.760 665 A CB -0.305 18.619 19.000 -0.127 0.000 0.995 665 A HN 0.066 nan 8.150 nan 0.000 0.501 666 K N 1.661 122.063 120.400 0.003 0.000 2.524 666 K HA 0.016 4.336 4.320 -0.001 0.000 0.279 666 K C -0.823 175.811 176.600 0.056 0.000 0.993 666 K CA 0.234 56.566 56.287 0.075 0.000 1.030 666 K CB 0.057 32.612 32.500 0.093 0.000 0.891 666 K HN 0.497 nan 8.250 nan 0.000 0.488 667 F N 2.987 122.938 119.950 0.003 0.000 2.456 667 F HA 0.244 4.770 4.527 -0.001 0.000 0.358 667 F C 0.707 176.422 175.800 -0.142 0.000 1.095 667 F CA 0.766 58.706 58.000 -0.099 0.000 1.216 667 F CB 1.212 40.165 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 -0.342 0.000 2.704 668 A HA 0.181 4.501 4.320 -0.001 0.000 0.260 668 A C 0.128 177.474 177.584 -0.397 0.000 1.144 668 A CA 0.025 51.943 52.037 -0.199 0.000 0.985 668 A CB -0.124 18.861 19.000 -0.024 0.000 1.256 668 A HN 0.480 nan 8.150 nan 0.000 0.598 669 S N 0.715 116.010 115.700 -0.675 0.000 2.466 669 S HA 0.713 5.182 4.470 -0.001 0.000 0.313 669 S C -0.951 173.453 174.600 -0.326 0.000 1.078 669 S CA -0.338 57.626 58.200 -0.394 0.000 1.115 669 S CB -0.542 62.447 63.200 -0.351 0.000 1.006 669 S HN 0.202 nan 8.310 nan 0.000 0.487 670 F N 3.052 123.130 119.950 0.213 0.000 2.556 670 F HA 0.571 5.098 4.527 -0.001 0.000 0.327 670 F C 0.439 176.327 175.800 0.146 0.000 1.059 670 F CA -1.277 56.840 58.000 0.195 0.000 0.953 670 F CB 1.195 40.321 39.000 0.209 0.000 1.227 670 F HN 0.283 nan 8.300 nan 0.000 0.478 671 I N 1.501 122.265 120.570 0.323 0.000 2.471 671 I HA 0.113 4.283 4.170 -0.001 0.000 0.286 671 I C 0.348 176.589 176.117 0.207 0.000 1.079 671 I CA -0.361 61.059 61.300 0.200 0.000 1.398 671 I CB 0.914 38.995 38.000 0.135 0.000 1.403 671 I HN 0.604 nan 8.210 nan 0.000 0.530 672 T N 4.488 119.136 114.554 0.157 0.000 2.814 672 T HA 0.396 4.746 4.350 -0.001 0.000 0.297 672 T C -0.382 174.389 174.700 0.118 0.000 0.956 672 T CA -0.640 61.540 62.100 0.132 0.000 1.123 672 T CB 0.771 69.695 68.868 0.094 0.000 0.902 672 T HN 0.732 nan 8.240 nan 0.000 0.528 673 Q N 2.304 122.175 119.800 0.119 0.000 2.472 673 Q HA 0.563 4.902 4.340 -0.001 0.000 0.281 673 Q C -1.775 174.304 176.000 0.132 0.000 0.997 673 Q CA -1.355 54.506 55.803 0.096 0.000 0.828 673 Q CB 1.493 30.248 28.738 0.030 0.000 1.443 673 Q HN 0.864 nan 8.270 nan 0.000 0.390 674 Y N -1.143 119.148 120.300 -0.015 0.000 2.545 674 Y HA 0.836 5.386 4.550 -0.001 0.000 0.348 674 Y C -0.847 175.058 175.900 0.008 0.000 1.002 674 Y CA -0.825 57.261 58.100 -0.022 0.000 1.039 674 Y CB 2.036 40.467 38.460 -0.050 0.000 1.271 674 Y HN 0.819 nan 8.280 nan 0.000 0.467 675 S N 1.071 116.830 115.700 0.099 0.000 2.621 675 S HA 0.849 5.319 4.470 -0.001 0.000 0.302 675 S C -0.650 174.036 174.600 0.143 0.000 1.093 675 S CA -0.461 57.789 58.200 0.083 0.000 1.017 675 S CB 1.941 65.281 63.200 0.234 0.000 1.077 675 S HN 1.073 nan 8.310 nan 0.000 0.517 676 T N -0.459 114.000 114.554 -0.159 0.000 2.853 676 T HA 0.760 5.109 4.350 -0.001 0.000 0.311 676 T C -0.348 173.656 174.700 -1.161 0.000 1.307 676 T CA 0.269 61.949 62.100 -0.700 0.000 1.019 676 T CB 1.058 69.720 68.868 -0.345 0.000 1.264 676 T HN 1.737 nan 8.240 nan 0.000 0.497 677 G N 1.795 109.447 108.800 -1.914 0.000 2.325 677 G HA2 0.493 4.453 3.960 -0.001 0.000 0.295 677 G HA3 0.493 4.453 3.960 -0.001 0.000 0.295 677 G C -2.091 172.011 174.900 -1.330 0.000 1.274 677 G CA -0.666 43.694 45.100 -1.234 0.000 0.857 677 G HN 0.768 nan 8.290 nan 0.000 0.499 678 Q N -1.351 118.046 119.800 -0.673 0.000 2.248 678 Q HA 0.757 5.097 4.340 -0.001 0.000 0.263 678 Q C -0.570 175.211 176.000 -0.365 0.000 1.007 678 Q CA -0.729 54.720 55.803 -0.590 0.000 0.877 678 Q CB 2.539 30.788 28.738 -0.814 0.000 1.315 678 Q HN 0.973 nan 8.270 nan 0.000 0.454 679 V N 0.207 120.033 119.914 -0.146 0.000 2.841 679 V HA 0.830 4.950 4.120 -0.001 0.000 0.310 679 V C -1.595 174.397 176.094 -0.169 0.000 1.090 679 V CA -0.317 61.874 62.300 -0.181 0.000 0.930 679 V CB 2.343 34.115 31.823 -0.085 0.000 1.014 679 V HN 0.692 nan 8.190 nan 0.000 0.425 680 S N 4.312 119.899 115.700 -0.188 0.000 2.557 680 S HA 0.817 5.287 4.470 -0.001 0.000 0.291 680 S C -1.477 172.954 174.600 -0.281 0.000 1.116 680 S CA -0.453 57.665 58.200 -0.137 0.000 0.992 680 S CB 1.594 64.832 63.200 0.064 0.000 1.028 680 S HN 0.877 nan 8.310 nan 0.000 0.484 681 V N 4.958 124.737 119.914 -0.225 0.000 2.443 681 V HA 0.498 4.618 4.120 -0.001 0.000 0.293 681 V C -0.234 175.783 176.094 -0.129 0.000 1.021 681 V CA -0.650 61.513 62.300 -0.228 0.000 0.848 681 V CB 1.480 33.023 31.823 -0.468 0.000 0.998 681 V HN 0.902 nan 8.190 nan 0.000 0.424 682 E N 5.478 125.614 120.200 -0.107 0.000 2.151 682 E HA 0.651 5.001 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 -0.519 55.829 56.400 -0.086 0.000 0.777 682 E CB 1.423 31.058 29.700 -0.109 0.000 1.108 682 E HN 0.647 nan 8.360 nan 0.000 0.401 683 I N 3.529 124.054 120.570 -0.075 0.000 2.498 683 I HA 0.270 4.440 4.170 -0.001 0.000 0.290 683 I C -0.217 175.768 176.117 -0.220 0.000 1.032 683 I CA -0.802 60.397 61.300 -0.168 0.000 1.073 683 I CB 2.063 39.912 38.000 -0.252 0.000 1.251 683 I HN 0.554 nan 8.210 nan 0.000 0.426 684 E N 5.213 125.232 120.200 -0.302 0.000 2.231 684 E HA 0.374 4.723 4.350 -0.001 0.000 0.277 684 E C -1.936 174.424 176.600 -0.400 0.000 0.999 684 E CA -0.584 55.692 56.400 -0.207 0.000 0.827 684 E CB 1.307 30.935 29.700 -0.120 0.000 1.101 684 E HN 0.405 nan 8.360 nan 0.000 0.393 685 W N 2.726 124.015 121.300 -0.017 0.000 2.683 685 W HA 0.287 4.947 4.660 -0.001 0.000 0.329 685 W C -0.205 176.360 176.519 0.076 0.000 1.037 685 W CA -0.700 56.675 57.345 0.051 0.000 1.232 685 W CB 1.253 30.806 29.460 0.156 0.000 1.390 685 W HN 0.459 nan 8.180 nan 0.000 0.465 686 E N 3.250 123.599 120.200 0.248 0.000 2.331 686 E HA 0.474 4.824 4.350 -0.001 0.000 0.272 686 E C -0.901 175.978 176.600 0.464 0.000 1.036 686 E CA -0.284 56.270 56.400 0.258 0.000 0.864 686 E CB 0.824 30.600 29.700 0.126 0.000 1.035 686 E HN 0.461 nan 8.360 nan 0.000 0.408 687 L N 3.295 124.796 121.223 0.463 0.000 2.342 687 L HA 0.362 4.701 4.340 -0.001 0.000 0.271 687 L C -0.300 176.810 176.870 0.399 0.000 1.008 687 L CA -0.765 54.376 54.840 0.501 0.000 0.818 687 L CB 1.922 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 3.099 123.063 119.800 0.274 0.000 2.394 688 Q HA 0.251 4.591 4.340 -0.001 0.000 0.259 688 Q C -0.824 175.182 176.000 0.010 0.000 1.021 688 Q CA -0.786 54.981 55.803 -0.060 0.000 0.805 688 Q CB 1.166 29.621 28.738 -0.472 0.000 1.226 688 Q HN 0.343 nan 8.270 nan 0.000 0.476 689 K N 1.836 122.199 120.400 -0.062 0.000 2.230 689 K HA 0.050 4.370 4.320 -0.001 0.000 0.253 689 K C -0.099 176.243 176.600 -0.430 0.000 1.008 689 K CA -0.004 56.187 56.287 -0.159 0.000 0.910 689 K CB 0.657 33.074 32.500 -0.139 0.000 0.994 689 K HN 0.656 nan 8.250 nan 0.000 0.495 690 E N 1.985 121.817 120.200 -0.614 0.000 2.200 690 E HA 0.034 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 -0.205 55.413 56.400 -1.303 0.000 0.819 690 E CB 0.554 29.622 29.700 -1.052 0.000 1.081 690 E HN 0.356 nan 8.360 nan 0.000 0.397 691 N N 2.950 121.016 118.700 -1.057 0.000 2.762 691 N HA 0.115 4.855 4.740 -0.001 0.000 0.252 691 N C -1.840 173.569 175.510 -0.169 0.000 1.269 691 N CA -0.222 52.577 53.050 -0.418 0.000 0.799 691 N CB 0.969 39.319 38.487 -0.227 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 0.065 174.686 174.600 0.036 0.000 1.087 692 S CA -0.616 57.627 58.200 0.071 0.000 1.012 692 S CB 0.669 63.989 63.200 0.200 0.000 1.044 692 S HN 0.261 nan 8.310 nan 0.000 0.485 693 K N 2.366 122.814 120.400 0.080 0.000 2.493 693 K HA 0.156 4.475 4.320 -0.001 0.000 0.207 693 K C 0.268 176.943 176.600 0.126 0.000 1.033 693 K CA -0.264 56.074 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 0.965 121.536 120.500 0.119 0.000 2.502 694 R HA -0.108 4.232 4.340 -0.001 0.000 0.292 694 R C 1.083 177.474 176.300 0.152 0.000 0.998 694 R CA 0.236 56.420 56.100 0.140 0.000 1.056 694 R CB 0.067 30.439 30.300 0.121 0.000 0.939 694 R HN 0.296 nan 8.270 nan 0.000 0.411 695 W N 5.832 127.146 121.300 0.024 0.000 2.452 695 W HA -0.091 4.568 4.660 -0.001 0.000 0.313 695 W C -0.102 176.426 176.519 0.015 0.000 1.176 695 W CA 1.127 58.481 57.345 0.015 0.000 1.350 695 W CB -0.230 29.237 29.460 0.013 0.000 1.148 695 W HN 0.755 nan 8.180 nan 0.000 0.498 696 N N 2.065 120.888 118.700 0.204 0.000 2.444 696 N HA 0.089 4.829 4.740 -0.001 0.000 0.255 696 N C -2.700 172.813 175.510 0.006 0.000 1.255 696 N CA -1.050 52.051 53.050 0.086 0.000 0.933 696 N CB -0.609 37.977 38.487 0.164 0.000 1.143 696 N HN -0.103 nan 8.380 nan 0.000 0.453 697 P HA 0.077 nan 4.420 nan 0.000 0.267 697 P C -0.197 177.120 177.300 0.029 0.000 1.200 697 P CA 0.271 63.361 63.100 -0.016 0.000 0.772 697 P CB 0.553 32.241 31.700 -0.019 0.000 0.855 698 E N 1.345 121.570 120.200 0.042 0.000 2.292 698 E HA 0.367 4.716 4.350 -0.001 0.000 0.258 698 E C 0.288 176.941 176.600 0.088 0.000 1.115 698 E CA -0.996 55.451 56.400 0.078 0.000 0.929 698 E CB 0.813 30.579 29.700 0.110 0.000 1.161 698 E HN 0.439 nan 8.360 nan 0.000 0.453 699 I N -1.202 119.438 120.570 0.116 0.000 2.519 699 I HA 0.197 4.367 4.170 -0.001 0.000 0.287 699 I C -0.350 175.927 176.117 0.267 0.000 1.047 699 I CA -0.485 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 4.681 124.631 119.800 0.251 0.000 2.394 700 Q HA 0.304 4.643 4.340 -0.001 0.000 0.273 700 Q C -1.406 174.732 176.000 0.229 0.000 1.089 700 Q CA -0.796 55.137 55.803 0.217 0.000 0.812 700 Q CB 2.823 31.603 28.738 0.071 0.000 1.353 700 Q HN 0.791 nan 8.270 nan 0.000 0.438 701 Y N 0.995 121.186 120.300 -0.182 0.000 2.346 701 Y HA 0.295 4.844 4.550 -0.001 0.000 0.330 701 Y C -0.116 175.763 175.900 -0.035 0.000 1.178 701 Y CA 0.863 58.870 58.100 -0.155 0.000 1.331 701 Y CB 0.990 39.124 38.460 -0.543 0.000 1.253 701 Y HN 0.616 nan 8.280 nan 0.000 0.529 702 T N 3.632 117.781 114.554 -0.675 0.000 2.840 702 T HA 0.433 4.783 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 -0.752 61.151 62.100 -0.328 0.000 1.028 702 T CB 0.870 69.665 68.868 -0.122 0.000 1.317 702 T HN 0.613 nan 8.240 nan 0.000 0.495 703 S N 2.048 117.695 115.700 -0.090 0.000 2.586 703 S HA 0.377 4.847 4.470 -0.001 0.000 0.274 703 S C 0.103 174.729 174.600 0.044 0.000 1.281 703 S CA -0.630 57.575 58.200 0.009 0.000 1.035 703 S CB 0.184 63.448 63.200 0.106 0.000 0.962 703 S HN 0.713 nan 8.310 nan 0.000 0.512 704 N N 1.934 120.663 118.700 0.048 0.000 2.427 704 N HA 0.054 4.794 4.740 -0.001 0.000 0.269 704 N C 0.650 176.206 175.510 0.077 0.000 1.235 704 N CA -0.126 52.964 53.050 0.068 0.000 0.934 704 N CB 0.170 38.658 38.487 0.002 0.000 1.121 704 N HN 0.755 nan 8.380 nan 0.000 0.480 705 Y N 1.096 121.394 120.300 -0.004 0.000 2.639 705 Y HA 0.078 4.627 4.550 -0.001 0.000 0.297 705 Y C 0.062 175.965 175.900 0.004 0.000 1.151 705 Y CA -0.511 57.591 58.100 0.003 0.000 1.335 705 Y CB -0.161 38.299 38.460 0.000 0.000 0.994 705 Y HN 0.313 nan 8.280 nan 0.000 0.548 706 N N 2.532 120.870 118.700 -0.603 0.000 2.415 706 N HA -0.031 4.708 4.740 -0.001 0.000 0.248 706 N C -0.497 174.876 175.510 -0.229 0.000 1.271 706 N CA -0.201 52.525 53.050 -0.539 0.000 0.913 706 N CB 0.514 38.746 38.487 -0.425 0.000 1.129 706 N HN 0.317 nan 8.380 nan 0.000 0.444 707 K N 0.556 120.851 120.400 -0.174 0.000 2.453 707 K HA 0.003 4.322 4.320 -0.001 0.000 0.280 707 K C -0.303 176.250 176.600 -0.077 0.000 1.045 707 K CA 0.363 56.594 56.287 -0.092 0.000 1.059 707 K CB 0.215 32.672 32.500 -0.071 0.000 0.901 707 K HN 0.453 nan 8.250 nan 0.000 0.475 708 S N 2.786 118.454 115.700 -0.052 0.000 2.599 708 S HA 0.329 4.798 4.470 -0.001 0.000 0.294 708 S C 0.842 175.423 174.600 -0.032 0.000 1.094 708 S CA -1.053 57.121 58.200 -0.044 0.000 0.931 708 S CB 1.581 64.760 63.200 -0.036 0.000 1.093 708 S HN 0.366 nan 8.310 nan 0.000 0.488 709 V N 3.230 123.123 119.914 -0.034 0.000 2.238 709 V HA -0.008 4.111 4.120 -0.001 0.000 0.235 709 V C 0.796 176.873 176.094 -0.029 0.000 1.037 709 V CA 1.484 63.765 62.300 -0.032 0.000 0.991 709 V CB -0.864 30.936 31.823 -0.038 0.000 0.638 709 V HN 0.837 nan 8.190 nan 0.000 0.457 710 N N -0.900 117.778 118.700 -0.036 0.000 2.472 710 N HA 0.477 5.217 4.740 -0.001 0.000 0.289 710 N C -1.031 174.463 175.510 -0.026 0.000 1.156 710 N CA -0.601 52.427 53.050 -0.036 0.000 0.940 710 N CB 1.974 40.426 38.487 -0.059 0.000 1.200 710 N HN 0.084 nan 8.380 nan 0.000 0.511 711 V N 1.379 121.288 119.914 -0.009 0.000 2.530 711 V HA 0.043 4.163 4.120 -0.001 0.000 0.282 711 V C -0.064 176.042 176.094 0.020 0.000 1.048 711 V CA -0.433 61.882 62.300 0.024 0.000 0.997 711 V CB 0.762 32.619 31.823 0.056 0.000 0.987 711 V HN 0.615 nan 8.190 nan 0.000 0.477 712 D N 4.651 125.085 120.400 0.057 0.000 2.487 712 D HA 0.105 4.745 4.640 -0.001 0.000 0.243 712 D C 0.110 176.533 176.300 0.206 0.000 1.154 712 D CA 0.680 54.714 54.000 0.057 0.000 0.876 712 D CB 0.014 40.938 40.800 0.207 0.000 1.161 712 D HN 0.484 nan 8.370 nan 0.000 0.478 713 F N 0.022 119.922 119.950 -0.083 0.000 2.563 713 F HA -0.266 4.261 4.527 -0.001 0.000 0.351 713 F C 0.314 176.095 175.800 -0.033 0.000 1.086 713 F CA 0.351 58.265 58.000 -0.143 0.000 1.174 713 F CB -1.736 37.303 39.000 0.065 0.000 1.590 713 F HN 0.166 nan 8.300 nan 0.000 0.808 714 T N -0.760 113.724 114.554 -0.117 0.000 2.786 714 T HA 0.607 4.957 4.350 -0.001 0.000 0.316 714 T C -0.175 174.456 174.700 -0.115 0.000 1.503 714 T CA -0.464 61.651 62.100 0.023 0.000 1.019 714 T CB 1.929 70.824 68.868 0.046 0.000 1.415 714 T HN 0.495 nan 8.240 nan 0.000 0.496 715 V N 0.360 120.213 119.914 -0.101 0.000 3.185 715 V HA 0.637 4.757 4.120 -0.001 0.000 0.305 715 V C 0.235 176.274 176.094 -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 -0.180 0.000 1.061 715 V HN 0.996 nan 8.190 nan 0.000 0.480 716 D N 1.077 121.428 120.400 -0.082 0.000 2.509 716 D HA 0.243 4.883 4.640 -0.001 0.000 0.275 716 D C 1.393 177.669 176.300 -0.040 0.000 1.189 716 D CA 0.359 54.322 54.000 -0.061 0.000 1.098 716 D CB -0.250 40.510 40.800 -0.067 0.000 1.177 716 D HN 0.688 nan 8.370 nan 0.000 0.599 717 T N -2.968 111.566 114.554 -0.033 0.000 2.915 717 T HA -0.121 4.228 4.350 -0.001 0.000 0.269 717 T C 0.684 175.373 174.700 -0.018 0.000 1.071 717 T CA 1.276 63.362 62.100 -0.022 0.000 1.132 717 T CB -0.770 68.086 68.868 -0.021 0.000 0.878 717 T HN 0.543 nan 8.240 nan 0.000 0.479 718 N N 0.254 118.941 118.700 -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 0.291 38.770 38.487 -0.013 0.000 1.167 718 N HN 0.499 nan 8.380 nan 0.000 0.515 719 G N -0.126 108.661 108.800 -0.022 0.000 2.470 719 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.286 719 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.286 719 G C -0.938 173.946 174.900 -0.027 0.000 1.115 719 G CA -0.003 45.084 45.100 -0.023 0.000 1.122 719 G HN 0.343 nan 8.290 nan 0.000 0.522 720 V N 1.904 121.786 119.914 -0.053 0.000 2.488 720 V HA 0.411 4.531 4.120 -0.001 0.000 0.293 720 V C 0.019 176.069 176.094 -0.074 0.000 1.027 720 V CA -1.343 60.932 62.300 -0.042 0.000 0.862 720 V CB 1.515 33.317 31.823 -0.034 0.000 1.008 720 V HN 0.564 nan 8.190 nan 0.000 0.428 721 Y N 4.418 124.586 120.300 -0.220 0.000 2.511 721 Y HA 0.461 5.010 4.550 -0.001 0.000 0.332 721 Y C 0.718 176.534 175.900 -0.142 0.000 1.177 721 Y CA 0.268 58.216 58.100 -0.254 0.000 1.422 721 Y CB 1.013 39.298 38.460 -0.291 0.000 1.271 721 Y HN 0.730 nan 8.280 nan 0.000 0.550 722 S N 4.371 119.633 115.700 -0.730 0.000 2.619 722 S HA 0.413 4.882 4.470 -0.001 0.000 0.280 722 S C -1.507 172.639 174.600 -0.756 0.000 1.150 722 S CA -1.197 56.671 58.200 -0.553 0.000 0.978 722 S CB 1.404 64.397 63.200 -0.345 0.000 1.041 722 S HN 0.675 nan 8.310 nan 0.000 0.485 723 E N 3.093 122.958 120.200 -0.559 0.000 2.001 723 E HA 0.217 4.567 4.350 -0.001 0.000 0.279 723 E C -1.856 174.388 176.600 -0.593 0.000 1.045 723 E CA -2.002 54.037 56.400 -0.602 0.000 0.833 723 E CB 0.458 30.044 29.700 -0.190 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 0.203 177.339 177.300 -0.272 0.000 1.180 724 P CA 1.520 64.323 63.100 -0.495 0.000 0.935 724 P CB 0.182 31.559 31.700 -0.538 0.000 0.785 725 R N -1.616 118.774 120.500 -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 0.015 0.000 0.982 725 R CB 0.102 30.476 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 32.251 31.700 0.045 0.000 0.951 727 I N 1.881 122.646 120.570 0.325 0.000 2.382 727 I HA 0.302 4.472 4.170 -0.001 0.000 0.286 727 I C 1.167 177.644 176.117 0.600 0.000 1.002 727 I CA -0.313 61.215 61.300 0.379 0.000 1.135 727 I CB 0.750 38.848 38.000 0.162 0.000 1.288 727 I HN 0.418 nan 8.210 nan 0.000 0.448 728 G N 3.530 112.681 108.800 0.586 0.000 2.631 728 G HA2 0.223 4.182 3.960 -0.001 0.000 0.271 728 G HA3 0.223 4.182 3.960 -0.001 0.000 0.271 728 G C 0.545 175.616 174.900 0.284 0.000 1.302 728 G CA 0.145 45.461 45.100 0.359 0.000 1.002 728 G HN 0.576 nan 8.290 nan 0.000 0.519 729 T N -1.401 113.243 114.554 0.150 0.000 2.986 729 T HA 0.177 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 0.021 68.960 68.868 0.117 0.000 1.163 729 T HN 0.362 nan 8.240 nan 0.000 0.517 730 R N 1.203 121.799 120.500 0.160 0.000 2.391 730 R HA 0.345 4.684 4.340 -0.001 0.000 0.310 730 R C -0.593 175.742 176.300 0.059 0.000 1.174 730 R CA -0.168 55.963 56.100 0.051 0.000 1.118 730 R CB 0.378 30.615 30.300 -0.105 0.000 1.134 730 R HN 0.327 nan 8.270 nan 0.000 0.524 731 Y N 0.600 120.924 120.300 0.041 0.000 2.452 731 Y HA 0.238 4.787 4.550 -0.001 0.000 0.262 731 Y C 0.462 176.417 175.900 0.092 0.000 1.089 731 Y CA -0.069 58.075 58.100 0.073 0.000 1.262 731 Y CB 0.881 39.392 38.460 0.086 0.000 1.236 731 Y HN 0.245 nan 8.280 nan 0.000 0.512 732 L N 0.737 122.121 121.223 0.268 0.000 2.334 732 L HA 0.468 4.808 4.340 -0.001 0.000 0.275 732 L C 0.169 177.137 176.870 0.163 0.000 1.036 732 L CA -0.763 54.262 54.840 0.309 0.000 0.807 732 L CB 1.563 43.968 42.059 0.577 0.000 1.231 732 L HN 0.007 nan 8.230 nan 0.000 0.438 733 T N -0.229 114.425 114.554 0.167 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 -0.113 0.000 0.987 733 T CA -0.876 61.234 62.100 0.017 0.000 0.993 733 T CB 2.029 70.938 68.868 0.069 0.000 0.939 733 T HN 0.592 nan 8.240 nan 0.000 0.449 734 R N 2.088 122.400 120.500 -0.313 0.000 2.807 734 R HA 0.477 4.816 4.340 -0.001 0.000 0.276 734 R C -0.729 175.500 176.300 -0.118 0.000 0.979 734 R CA -0.677 55.187 56.100 -0.393 0.000 0.928 734 R CB 1.448 31.114 30.300 -1.057 0.000 1.191 734 R HN 0.712 nan 8.270 nan 0.000 0.471 735 N N 0.953 119.621 118.700 -0.052 0.000 2.374 735 N HA 0.345 5.085 4.740 -0.001 0.000 0.284 735 N C -0.221 175.320 175.510 0.052 0.000 1.280 735 N CA -0.270 52.795 53.050 0.024 0.000 0.963 735 N CB 0.327 38.822 38.487 0.013 0.000 1.141 735 N HN 0.361 nan 8.380 nan 0.000 0.565 736 L N 0.000 121.219 121.223 -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