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_M 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 1.706 124.546 122.820 0.033 0.000 2.476 218 A HA 0.808 5.127 4.320 -0.001 0.000 0.280 218 A C -1.073 176.531 177.584 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 0.550 120.973 120.400 0.038 0.000 2.989 219 D HA 0.694 5.333 4.640 -0.001 0.000 0.284 219 D C 0.674 176.994 176.300 0.034 0.000 1.212 219 D CA 0.280 54.299 54.000 0.033 0.000 1.055 219 D CB 1.316 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 -0.706 108.112 108.800 0.031 0.000 2.828 220 G HA2 0.456 4.416 3.960 -0.001 0.000 0.244 220 G HA3 0.456 4.416 3.960 -0.001 0.000 0.244 220 G C 0.812 175.729 174.900 0.030 0.000 1.365 220 G CA -0.217 44.900 45.100 0.028 0.000 1.041 220 G HN 0.203 nan 8.290 nan 0.000 0.560 221 V N 0.473 120.401 119.914 0.023 0.000 2.273 221 V HA 0.110 4.229 4.120 -0.001 0.000 0.242 221 V C 2.377 178.483 176.094 0.020 0.000 1.035 221 V CA 1.856 64.168 62.300 0.021 0.000 1.013 221 V CB -0.663 31.168 31.823 0.014 0.000 0.652 221 V HN 0.731 nan 8.190 nan 0.000 0.452 222 G N 1.184 109.994 108.800 0.017 0.000 3.709 222 G HA2 0.233 4.193 3.960 -0.001 0.000 0.272 222 G HA3 0.233 4.193 3.960 -0.001 0.000 0.272 222 G C -0.120 174.792 174.900 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 -0.038 175.500 175.510 0.047 0.000 1.138 223 N CA -0.525 52.544 53.050 0.031 0.000 0.859 223 N CB 1.338 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 1.654 117.386 115.700 0.053 0.000 2.544 224 S HA 0.034 4.504 4.470 -0.001 0.000 0.290 224 S C 0.882 175.535 174.600 0.088 0.000 1.276 224 S CA -0.106 58.145 58.200 0.084 0.000 1.075 224 S CB 0.377 63.631 63.200 0.089 0.000 0.849 224 S HN 0.562 nan 8.310 nan 0.000 0.494 225 S N 1.737 117.518 115.700 0.134 0.000 2.743 225 S HA 0.542 5.011 4.470 -0.001 0.000 0.230 225 S C 0.717 175.365 174.600 0.080 0.000 0.950 225 S CA -0.276 57.998 58.200 0.123 0.000 0.976 225 S CB -0.721 62.578 63.200 0.165 0.000 0.779 225 S HN 1.526 nan 8.310 nan 0.000 0.487 226 G N 0.296 109.102 108.800 0.010 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 -0.710 117.809 118.700 -0.303 0.000 2.471 227 N HA 0.427 5.167 4.740 -0.001 0.000 0.288 227 N C -0.780 174.729 175.510 -0.003 0.000 1.220 227 N CA -0.851 52.146 53.050 -0.087 0.000 0.893 227 N CB 1.998 40.386 38.487 -0.165 0.000 1.256 227 N HN 0.536 nan 8.380 nan 0.000 0.534 228 W N 2.785 124.021 121.300 -0.106 0.000 2.365 228 W HA 0.141 4.801 4.660 -0.001 0.000 0.371 228 W C -0.954 175.468 176.519 -0.162 0.000 1.006 228 W CA 0.002 57.340 57.345 -0.012 0.000 1.528 228 W CB -0.285 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 4.863 123.858 119.070 -0.125 0.000 2.787 229 H HA 0.181 4.736 4.556 -0.001 0.000 0.275 229 H C -0.190 175.022 175.328 -0.194 0.000 1.183 229 H CA -0.033 55.952 56.048 -0.106 0.000 1.290 229 H CB 1.089 30.777 29.762 -0.123 0.000 1.438 229 H HN 0.159 nan 8.280 nan 0.000 0.487 230 C N 4.469 123.772 119.300 0.005 0.000 2.547 230 C HA 0.354 4.813 4.460 -0.001 0.000 0.327 230 C C -0.887 174.147 174.990 0.073 0.000 1.076 230 C CA -0.358 58.661 59.018 0.002 0.000 1.390 230 C CB -0.412 27.344 27.740 0.027 0.000 1.918 230 C HN 0.929 nan 8.230 nan 0.000 0.438 231 D N 2.152 122.574 120.400 0.036 0.000 2.710 231 D HA 0.643 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 0.036 0.000 0.772 231 D CB 2.111 42.946 40.800 0.058 0.000 1.299 231 D HN 0.627 nan 8.370 nan 0.000 0.421 232 S N 0.812 116.502 115.700 -0.016 0.000 2.603 232 S HA 0.725 5.195 4.470 -0.001 0.000 0.274 232 S C -1.461 173.103 174.600 -0.059 0.000 1.168 232 S CA -0.851 57.288 58.200 -0.101 0.000 0.963 232 S CB 1.721 64.807 63.200 -0.191 0.000 1.078 232 S HN 0.462 nan 8.310 nan 0.000 0.477 233 Q N 1.408 121.145 119.800 -0.105 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 -0.099 0.000 1.106 233 Q CA -0.592 55.224 55.803 0.022 0.000 0.814 233 Q CB 0.429 29.211 28.738 0.073 0.000 1.425 233 Q HN 0.761 nan 8.270 nan 0.000 0.437 234 W N 0.341 121.661 121.300 0.033 0.000 2.639 234 W HA 0.573 5.232 4.660 -0.001 0.000 0.347 234 W C -0.011 176.529 176.519 0.035 0.000 1.067 234 W CA -0.782 56.587 57.345 0.040 0.000 1.218 234 W CB 1.104 30.583 29.460 0.031 0.000 1.393 234 W HN 0.451 nan 8.180 nan 0.000 0.557 235 L N 2.773 124.153 121.223 0.262 0.000 2.906 235 L HA 0.234 4.573 4.340 -0.001 0.000 0.255 235 L C 1.665 178.631 176.870 0.159 0.000 1.166 235 L CA 0.903 55.841 54.840 0.163 0.000 0.977 235 L CB -0.745 41.378 42.059 0.106 0.000 1.313 235 L HN 1.013 nan 8.230 nan 0.000 0.549 236 G N 1.077 110.007 108.800 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 0.989 175.972 174.900 0.139 0.000 1.073 236 G CA 1.122 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 0.350 120.833 120.400 0.138 0.000 2.388 237 D HA 0.190 4.829 4.640 -0.001 0.000 0.208 237 D C 1.230 177.634 176.300 0.173 0.000 1.035 237 D CA 1.175 55.252 54.000 0.129 0.000 0.875 237 D CB 0.191 41.046 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 4.907 4.340 -0.001 0.000 0.276 238 R C -2.037 174.351 176.300 0.147 0.000 1.028 238 R CA -0.979 55.236 56.100 0.190 0.000 0.865 238 R CB 1.074 31.456 30.300 0.137 0.000 1.268 238 R HN -0.128 nan 8.270 nan 0.000 0.475 239 V N 1.625 121.592 119.914 0.088 0.000 2.686 239 V HA 0.565 4.684 4.120 -0.001 0.000 0.306 239 V C -1.576 174.487 176.094 -0.051 0.000 1.065 239 V CA -0.877 61.324 62.300 -0.165 0.000 0.894 239 V CB 1.956 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 5.593 126.080 120.570 -0.139 0.000 2.339 240 I HA 0.506 4.675 4.170 -0.001 0.000 0.290 240 I C 0.441 176.478 176.117 -0.134 0.000 0.994 240 I CA 0.072 61.333 61.300 -0.064 0.000 1.191 240 I CB 2.055 40.016 38.000 -0.066 0.000 1.343 240 I HN 0.783 nan 8.210 nan 0.000 0.458 241 T N 1.452 115.970 114.554 -0.061 0.000 2.756 241 T HA 0.597 4.947 4.350 -0.001 0.000 0.290 241 T C -0.071 174.599 174.700 -0.049 0.000 0.985 241 T CA -0.681 61.337 62.100 -0.137 0.000 0.955 241 T CB 0.524 69.242 68.868 -0.249 0.000 0.930 241 T HN 0.474 nan 8.240 nan 0.000 0.451 242 T N 2.893 117.411 114.554 -0.059 0.000 2.794 242 T HA 0.638 4.987 4.350 -0.001 0.000 0.280 242 T C -0.303 174.372 174.700 -0.043 0.000 0.987 242 T CA -0.738 61.335 62.100 -0.045 0.000 0.993 242 T CB 1.452 70.298 68.868 -0.036 0.000 0.939 242 T HN 0.703 nan 8.240 nan 0.000 0.449 243 S N 1.931 117.594 115.700 -0.061 0.000 2.571 243 S HA 0.685 5.155 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 -0.536 57.606 58.200 -0.096 0.000 0.970 243 S CB 1.206 64.384 63.200 -0.037 0.000 1.039 243 S HN 0.665 nan 8.310 nan 0.000 0.485 244 T N 5.323 119.658 114.554 -0.366 0.000 2.881 244 T HA 0.665 5.015 4.350 -0.001 0.000 0.290 244 T C -0.958 173.362 174.700 -0.634 0.000 1.000 244 T CA -0.840 60.883 62.100 -0.628 0.000 0.978 244 T CB 1.090 69.238 68.868 -1.200 0.000 0.997 244 T HN 0.505 nan 8.240 nan 0.000 0.443 245 R N 1.232 121.566 120.500 -0.276 0.000 2.836 245 R HA 0.638 4.977 4.340 -0.001 0.000 0.269 245 R C -0.817 175.617 176.300 0.224 0.000 1.010 245 R CA -0.816 55.352 56.100 0.113 0.000 0.930 245 R CB 1.679 32.188 30.300 0.349 0.000 1.218 245 R HN 0.564 nan 8.270 nan 0.000 0.473 246 T N 2.612 117.355 114.554 0.315 0.000 2.799 246 T HA 0.514 4.864 4.350 -0.001 0.000 0.286 246 T C -0.194 174.462 174.700 -0.073 0.000 0.973 246 T CA -0.625 61.515 62.100 0.067 0.000 1.035 246 T CB 0.661 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 0.673 121.815 121.300 -0.264 0.000 2.799 247 W HA 0.836 5.496 4.660 -0.001 0.000 0.349 247 W C -1.300 174.997 176.519 -0.371 0.000 1.100 247 W CA -1.716 55.196 57.345 -0.722 0.000 1.174 247 W CB 1.389 30.497 29.460 -0.587 0.000 1.427 247 W HN 0.730 nan 8.180 nan 0.000 0.547 248 A N 2.740 125.547 122.820 -0.022 0.000 2.414 248 A HA 0.761 5.081 4.320 -0.001 0.000 0.306 248 A C -2.198 175.507 177.584 0.201 0.000 1.054 248 A CA -0.759 51.341 52.037 0.105 0.000 0.724 248 A CB 1.978 20.962 19.000 -0.027 0.000 1.267 248 A HN 0.675 nan 8.150 nan 0.000 0.418 249 L N 3.676 125.070 121.223 0.285 0.000 2.404 249 L HA 0.689 5.029 4.340 -0.001 0.000 0.272 249 L C -2.683 174.238 176.870 0.085 0.000 0.980 249 L CA -1.585 53.352 54.840 0.162 0.000 0.836 249 L CB 2.124 44.275 42.059 0.153 0.000 1.238 249 L HN 0.443 nan 8.230 nan 0.000 0.408 250 P HA 0.375 nan 4.420 nan 0.000 0.293 250 P C -1.049 176.094 177.300 -0.263 0.000 1.304 250 P CA -0.420 62.540 63.100 -0.234 0.000 0.767 250 P CB 0.541 31.932 31.700 -0.516 0.000 1.247 251 T N 0.609 114.996 114.554 -0.279 0.000 2.762 251 T HA 0.321 4.670 4.350 -0.001 0.000 0.303 251 T C -0.363 174.130 174.700 -0.345 0.000 0.977 251 T CA 0.080 62.004 62.100 -0.293 0.000 0.961 251 T CB -0.844 67.809 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 4.737 4.550 -0.001 0.000 0.328 252 Y C 1.685 177.499 175.900 -0.143 0.000 1.242 252 Y CA -0.211 57.813 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 1.934 120.690 118.700 0.092 0.000 2.650 253 N HA -0.395 4.344 4.740 -0.001 0.000 0.249 253 N C -0.364 175.138 175.510 -0.012 0.000 1.155 253 N CA 0.773 53.848 53.050 0.042 0.000 0.747 253 N CB -0.597 37.920 38.487 0.051 0.000 1.132 253 N HN 0.766 nan 8.380 nan 0.000 0.564 254 N N 0.167 118.805 118.700 -0.104 0.000 2.714 254 N HA -0.207 4.532 4.740 -0.001 0.000 0.253 254 N C -0.559 174.898 175.510 -0.089 0.000 1.024 254 N CA 2.030 54.998 53.050 -0.138 0.000 0.726 254 N CB -1.747 36.751 38.487 0.018 0.000 0.908 254 N HN 0.721 nan 8.380 nan 0.000 0.542 255 H N -2.728 116.297 119.070 -0.076 0.000 2.861 255 H HA -0.202 4.353 4.556 -0.001 0.000 0.289 255 H C -0.158 175.145 175.328 -0.042 0.000 1.176 255 H CA 1.213 57.166 56.048 -0.159 0.000 1.146 255 H CB -1.139 28.388 29.762 -0.392 0.000 1.330 255 H HN 0.352 nan 8.280 nan 0.000 0.379 256 L N 0.135 121.401 121.223 0.072 0.000 2.401 256 L HA 0.452 4.791 4.340 -0.001 0.000 0.266 256 L C -0.240 176.691 176.870 0.102 0.000 0.991 256 L CA -1.029 53.901 54.840 0.149 0.000 0.818 256 L CB 1.404 43.567 42.059 0.174 0.000 1.321 256 L HN 0.021 nan 8.230 nan 0.000 0.413 257 Y N 2.079 122.532 120.300 0.254 0.000 2.336 257 Y HA 0.322 4.872 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 -0.163 58.124 58.100 0.312 0.000 1.198 257 Y CB 1.011 39.724 38.460 0.423 0.000 1.182 257 Y HN 0.284 nan 8.280 nan 0.000 0.502 258 K N 2.877 123.487 120.400 0.350 0.000 2.270 258 K HA 0.224 4.544 4.320 -0.001 0.000 0.255 258 K C -0.817 175.873 176.600 0.150 0.000 0.936 258 K CA -1.058 55.354 56.287 0.209 0.000 0.809 258 K CB 1.963 34.529 32.500 0.109 0.000 1.131 258 K HN 0.597 nan 8.250 nan 0.000 0.427 259 Q N 5.114 124.922 119.800 0.014 0.000 2.307 259 Q HA 0.194 4.534 4.340 -0.001 0.000 0.261 259 Q C -0.526 175.223 176.000 -0.419 0.000 1.051 259 Q CA -0.333 55.227 55.803 -0.405 0.000 0.911 259 Q CB 0.200 28.743 28.738 -0.325 0.000 1.227 259 Q HN 0.581 nan 8.270 nan 0.000 0.418 260 I N 1.028 121.257 120.570 -0.569 0.000 2.707 260 I HA 0.793 4.963 4.170 -0.001 0.000 0.309 260 I C -0.508 175.250 176.117 -0.599 0.000 1.001 260 I CA -0.727 60.343 61.300 -0.383 0.000 1.129 260 I CB 2.081 39.987 38.000 -0.157 0.000 1.308 260 I HN 0.693 nan 8.210 nan 0.000 0.466 261 S N 1.865 117.255 115.700 -0.517 0.000 2.661 261 S HA 0.469 4.938 4.470 -0.001 0.000 0.268 261 S C -0.560 173.497 174.600 -0.905 0.000 1.162 261 S CA -0.591 57.148 58.200 -0.768 0.000 0.817 261 S CB 0.875 63.937 63.200 -0.231 0.000 1.141 261 S HN 0.994 nan 8.310 nan 0.000 0.477 262 S N 1.148 116.365 115.700 -0.805 0.000 2.576 262 S HA 0.356 4.826 4.470 -0.001 0.000 0.276 262 S C 0.088 174.670 174.600 -0.031 0.000 1.339 262 S CA -0.552 57.508 58.200 -0.233 0.000 1.039 262 S CB 0.291 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 1.462 121.283 119.800 0.035 0.000 2.349 263 Q HA 0.055 4.394 4.340 -0.001 0.000 0.287 263 Q C -0.355 175.670 176.000 0.042 0.000 1.044 263 Q CA 0.380 56.197 55.803 0.024 0.000 0.918 263 Q CB 0.549 29.297 28.738 0.018 0.000 1.242 263 Q HN 0.827 nan 8.270 nan 0.000 0.405 264 S N 2.505 118.224 115.700 0.033 0.000 2.711 264 S HA 0.210 4.680 4.470 -0.001 0.000 0.335 264 S C 0.681 175.310 174.600 0.049 0.000 1.175 264 S CA 0.423 58.649 58.200 0.045 0.000 1.372 264 S CB -0.744 62.468 63.200 0.020 0.000 1.337 264 S HN 0.812 nan 8.310 nan 0.000 0.572 265 G N 2.019 110.874 108.800 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 0.466 175.370 174.900 0.007 0.000 1.077 265 G CA -0.022 45.117 45.100 0.064 0.000 1.098 265 G HN 0.959 nan 8.290 nan 0.000 0.511 266 A N -1.073 121.726 122.820 -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 1.602 53.603 52.037 -0.060 0.000 0.887 266 A CB 0.835 19.809 19.000 -0.044 0.000 0.933 266 A HN 1.559 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 0.333 4.803 4.470 -0.001 0.000 0.272 267 S C 0.026 174.369 174.600 -0.428 0.000 1.150 267 S CA -0.393 57.657 58.200 -0.250 0.000 0.849 267 S CB 1.258 64.328 63.200 -0.218 0.000 1.113 267 S HN 0.406 nan 8.310 nan 0.000 0.458 268 N N 0.667 119.243 118.700 -0.207 0.000 2.571 268 N HA 0.034 4.774 4.740 -0.001 0.000 0.195 268 N C 0.017 175.568 175.510 0.069 0.000 1.040 268 N CA 0.202 53.241 53.050 -0.019 0.000 0.890 268 N CB 0.129 38.667 38.487 0.085 0.000 1.233 268 N HN 0.510 nan 8.380 nan 0.000 0.435 269 D N 0.649 121.057 120.400 0.013 0.000 2.363 269 D HA 0.030 4.670 4.640 -0.001 0.000 0.226 269 D C -0.019 176.293 176.300 0.021 0.000 1.020 269 D CA 0.630 54.669 54.000 0.064 0.000 0.892 269 D CB -0.200 40.657 40.800 0.094 0.000 0.900 269 D HN 0.408 nan 8.370 nan 0.000 0.531 270 N N -0.601 118.070 118.700 -0.049 0.000 2.200 270 N HA 0.006 4.745 4.740 -0.001 0.000 0.224 270 N C 0.039 175.594 175.510 0.074 0.000 1.179 270 N CA -0.353 52.675 53.050 -0.036 0.000 0.877 270 N CB 0.733 39.150 38.487 -0.116 0.000 1.072 270 N HN 0.070 nan 8.380 nan 0.000 0.519 271 H N 1.120 120.274 119.070 0.141 0.000 2.871 271 H HA 0.044 4.600 4.556 -0.001 0.000 0.355 271 H C -0.422 175.080 175.328 0.291 0.000 1.092 271 H CA 0.679 56.834 56.048 0.179 0.000 1.420 271 H CB 0.366 30.184 29.762 0.092 0.000 1.400 271 H HN 0.259 nan 8.280 nan 0.000 0.604 272 Y N 0.547 120.970 120.300 0.206 0.000 2.702 272 Y HA 0.472 5.022 4.550 -0.001 0.000 0.336 272 Y C -2.271 173.745 175.900 0.193 0.000 1.203 272 Y CA -1.377 56.813 58.100 0.151 0.000 1.072 272 Y CB 1.306 39.810 38.460 0.073 0.000 1.327 272 Y HN 0.403 nan 8.280 nan 0.000 0.456 273 F N 1.279 121.198 119.950 -0.052 0.000 2.588 273 F HA 0.833 5.360 4.527 -0.001 0.000 0.314 273 F C -0.347 175.405 175.800 -0.081 0.000 1.134 273 F CA 0.035 57.916 58.000 -0.199 0.000 0.961 273 F CB 1.968 40.875 39.000 -0.155 0.000 1.239 273 F HN 1.087 nan 8.300 nan 0.000 0.448 274 G N 2.933 111.226 108.800 -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 -2.406 171.861 174.900 -1.055 0.000 1.223 274 G CA -0.580 44.137 45.100 -0.638 0.000 0.871 274 G HN 0.516 nan 8.290 nan 0.000 0.492 275 Y N -0.891 119.042 120.300 -0.612 0.000 2.588 275 Y HA 0.728 5.278 4.550 -0.001 0.000 0.343 275 Y C 0.094 175.842 175.900 -0.254 0.000 1.065 275 Y CA -0.797 57.073 58.100 -0.385 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 1.302 117.077 115.700 0.126 0.000 2.456 276 S HA 0.572 5.041 4.470 -0.001 0.000 0.316 276 S C -0.592 174.136 174.600 0.213 0.000 1.089 276 S CA -0.540 57.727 58.200 0.111 0.000 1.101 276 S CB 0.197 63.430 63.200 0.056 0.000 0.995 276 S HN 0.701 nan 8.310 nan 0.000 0.468 277 T N 2.737 117.425 114.554 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 -2.079 60.095 62.100 0.124 0.000 1.051 277 T CB 1.375 70.553 68.868 0.518 0.000 0.999 277 T HN 0.297 nan 8.240 nan 0.000 0.474 278 P HA 0.145 nan 4.420 nan 0.000 0.242 278 P C -0.689 176.571 177.300 -0.068 0.000 1.197 278 P CA 0.042 63.072 63.100 -0.116 0.000 0.765 278 P CB -0.083 31.464 31.700 -0.255 0.000 0.936 279 W N 0.322 121.606 121.300 -0.026 0.000 2.375 279 W HA 0.560 5.219 4.660 -0.001 0.000 0.336 279 W C 1.073 177.572 176.519 -0.035 0.000 1.160 279 W CA -0.044 57.299 57.345 -0.004 0.000 1.266 279 W CB 0.686 30.136 29.460 -0.017 0.000 1.195 279 W HN -0.190 nan 8.180 nan 0.000 0.599 280 G N 0.562 109.457 108.800 0.159 0.000 2.705 280 G HA2 0.738 4.698 3.960 -0.001 0.000 0.299 280 G HA3 0.738 4.698 3.960 -0.001 0.000 0.299 280 G C -1.971 172.929 174.900 -0.001 0.000 1.315 280 G CA -0.711 44.364 45.100 -0.042 0.000 1.045 280 G HN 0.574 nan 8.290 nan 0.000 0.517 281 Y N -2.925 117.227 120.300 -0.247 0.000 2.624 281 Y HA 0.733 5.282 4.550 -0.001 0.000 0.334 281 Y C -1.790 173.916 175.900 -0.323 0.000 1.155 281 Y CA -2.189 55.754 58.100 -0.262 0.000 1.046 281 Y CB 1.063 39.409 38.460 -0.190 0.000 1.316 281 Y HN 0.395 nan 8.280 nan 0.000 0.457 282 F N 1.550 121.552 119.950 0.087 0.000 2.422 282 F HA 0.566 5.093 4.527 -0.001 0.000 0.333 282 F C -0.265 175.636 175.800 0.169 0.000 1.095 282 F CA -0.078 58.012 58.000 0.149 0.000 1.038 282 F CB 1.696 40.862 39.000 0.277 0.000 1.156 282 F HN 0.636 nan 8.300 nan 0.000 0.483 283 D N 1.712 122.305 120.400 0.321 0.000 2.753 283 D HA 0.446 5.085 4.640 -0.001 0.000 0.224 283 D C -0.885 175.497 176.300 0.137 0.000 1.213 283 D CA -0.516 53.525 54.000 0.068 0.000 0.833 283 D CB 1.290 42.142 40.800 0.086 0.000 1.607 283 D HN 0.288 nan 8.370 nan 0.000 0.463 284 F N 0.610 120.660 119.950 0.168 0.000 2.656 284 F HA 0.386 4.913 4.527 -0.001 0.000 0.363 284 F C 0.304 176.154 175.800 0.083 0.000 1.313 284 F CA -0.813 57.249 58.000 0.103 0.000 1.089 284 F CB -0.975 38.177 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 0.132 4.872 4.740 -0.001 0.000 0.230 285 N C -0.381 174.926 175.510 -0.339 0.000 1.310 285 N CA 0.012 52.702 53.050 -0.600 0.000 0.886 285 N CB 0.183 38.122 38.487 -0.913 0.000 1.205 285 N HN 0.370 nan 8.380 nan 0.000 0.488 286 R N -0.418 119.959 120.500 -0.205 0.000 2.628 286 R HA 0.193 4.532 4.340 -0.001 0.000 0.288 286 R C 0.014 176.188 176.300 -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 30.924 30.300 -0.527 0.000 1.188 286 R HN 0.128 nan 8.270 nan 0.000 0.450 287 F N 1.012 120.958 119.950 -0.007 0.000 2.216 287 F HA -0.183 4.344 4.527 -0.001 0.000 0.300 287 F C 2.314 178.153 175.800 0.065 0.000 1.085 287 F CA 1.697 59.785 58.000 0.146 0.000 1.326 287 F CB -0.071 38.837 39.000 -0.153 0.000 1.027 287 F HN 0.721 nan 8.300 nan 0.000 0.497 288 H N -2.801 116.335 119.070 0.109 0.000 2.561 288 H HA -0.038 4.517 4.556 -0.001 0.000 0.278 288 H C 1.753 177.093 175.328 0.021 0.000 1.014 288 H CA 0.575 56.648 56.048 0.041 0.000 1.211 288 H CB -1.414 28.348 29.762 -0.000 0.000 1.365 288 H HN 0.247 nan 8.280 nan 0.000 0.594 289 C N 0.670 119.827 119.300 -0.238 0.000 2.432 289 C HA -0.033 4.427 4.460 -0.001 0.000 0.280 289 C C 1.846 176.603 174.990 -0.388 0.000 1.353 289 C CA 1.009 59.813 59.018 -0.356 0.000 1.766 289 C CB -0.613 26.752 27.740 -0.625 0.000 1.924 289 C HN 0.799 nan 8.230 nan 0.000 0.509 290 H N -2.790 116.399 119.070 0.199 0.000 2.521 290 H HA 0.243 4.799 4.556 -0.001 0.000 0.267 290 H C 0.127 175.415 175.328 -0.066 0.000 0.963 290 H CA 0.193 56.288 56.048 0.079 0.000 1.175 290 H CB -0.199 29.663 29.762 0.167 0.000 1.450 290 H HN 0.311 nan 8.280 nan 0.000 0.472 291 F N 2.897 122.984 119.950 0.229 0.000 2.394 291 F HA 0.261 4.788 4.527 -0.001 0.000 0.340 291 F C 1.142 177.017 175.800 0.124 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 2.742 118.606 115.700 0.274 0.000 2.632 292 S HA 0.369 4.839 4.470 -0.001 0.000 0.267 292 S C -2.023 172.681 174.600 0.173 0.000 1.276 292 S CA -1.168 57.145 58.200 0.189 0.000 0.998 292 S CB 1.507 64.799 63.200 0.152 0.000 0.953 292 S HN 0.344 nan 8.310 nan 0.000 0.547 293 P HA -0.173 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 64.308 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 -0.144 4.196 4.340 -0.001 0.000 0.233 294 R C 1.835 178.224 176.300 0.149 0.000 1.137 294 R CA 2.058 58.216 56.100 0.097 0.000 0.945 294 R CB -1.664 28.703 30.300 0.111 0.000 0.845 294 R HN 0.096 nan 8.270 nan 0.000 0.430 295 D N -0.352 120.208 120.400 0.268 0.000 2.116 295 D HA -0.257 4.382 4.640 -0.001 0.000 0.193 295 D C 1.690 178.233 176.300 0.406 0.000 0.998 295 D CA 1.323 55.605 54.000 0.470 0.000 0.836 295 D CB -0.651 40.475 40.800 0.544 0.000 0.951 295 D HN 0.409 nan 8.370 nan 0.000 0.449 296 W N 1.946 123.296 121.300 0.084 0.000 2.325 296 W HA -0.235 4.425 4.660 -0.001 0.000 0.299 296 W C 2.221 178.611 176.519 -0.214 0.000 1.215 296 W CA 1.421 58.668 57.345 -0.164 0.000 1.244 296 W CB -0.089 29.225 29.460 -0.244 0.000 1.140 296 W HN 0.119 nan 8.180 nan 0.000 0.523 297 Q N 0.339 120.107 119.800 -0.053 0.000 2.020 297 Q HA -0.234 4.105 4.340 -0.001 0.000 0.202 297 Q C 2.434 178.306 176.000 -0.213 0.000 0.982 297 Q CA 2.156 57.862 55.803 -0.161 0.000 0.838 297 Q CB -0.278 28.439 28.738 -0.035 0.000 0.899 297 Q HN 0.219 nan 8.270 nan 0.000 0.423 298 R N 0.361 120.752 120.500 -0.181 0.000 2.094 298 R HA -0.191 4.149 4.340 -0.001 0.000 0.239 298 R C 2.529 178.622 176.300 -0.345 0.000 1.137 298 R CA 1.706 57.608 56.100 -0.330 0.000 0.943 298 R CB -0.801 29.154 30.300 -0.574 0.000 0.850 298 R HN 0.355 nan 8.270 nan 0.000 0.433 299 L N 0.810 121.892 121.223 -0.236 0.000 1.971 299 L HA -0.258 4.082 4.340 -0.001 0.000 0.215 299 L C 2.238 178.889 176.870 -0.366 0.000 1.072 299 L CA 1.534 56.233 54.840 -0.235 0.000 0.758 299 L CB -0.287 41.499 42.059 -0.455 0.000 0.889 299 L HN 0.186 nan 8.230 nan 0.000 0.433 300 I N 0.447 120.688 120.570 -0.548 0.000 2.163 300 I HA -0.303 3.867 4.170 -0.001 0.000 0.243 300 I C 1.949 177.940 176.117 -0.211 0.000 1.085 300 I CA 1.527 62.555 61.300 -0.452 0.000 1.347 300 I CB -1.653 35.988 38.000 -0.600 0.000 1.044 300 I HN 0.448 nan 8.210 nan 0.000 0.408 301 N N 1.033 119.600 118.700 -0.222 0.000 2.521 301 N HA -0.058 4.682 4.740 -0.001 0.000 0.188 301 N C 1.070 176.537 175.510 -0.072 0.000 1.146 301 N CA 0.452 53.431 53.050 -0.117 0.000 0.893 301 N CB -0.078 38.330 38.487 -0.132 0.000 0.975 301 N HN 0.469 nan 8.380 nan 0.000 0.451 302 N N -0.282 118.361 118.700 -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 0.784 39.167 38.487 -0.173 0.000 1.153 302 N HN 0.150 nan 8.380 nan 0.000 0.489 303 N N -0.144 118.576 118.700 0.033 0.000 2.342 303 N HA 0.141 4.880 4.740 -0.001 0.000 0.293 303 N C 0.335 176.059 175.510 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 40.358 38.487 0.170 0.000 1.256 303 N HN 0.143 nan 8.380 nan 0.000 0.484 304 W N 1.919 123.240 121.300 0.034 0.000 2.321 304 W HA -0.127 4.532 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 0.267 57.630 57.345 0.030 0.000 1.257 304 W CB 0.343 29.733 29.460 -0.117 0.000 1.145 304 W HN 0.591 nan 8.180 nan 0.000 0.509 305 G N -1.858 107.198 108.800 0.425 0.000 2.550 305 G HA2 0.468 4.427 3.960 -0.001 0.000 0.293 305 G HA3 0.468 4.427 3.960 -0.001 0.000 0.293 305 G C -1.821 173.535 174.900 0.759 0.000 1.402 305 G CA -0.658 44.732 45.100 0.483 0.000 0.784 305 G HN 0.088 nan 8.290 nan 0.000 0.482 306 F N -1.314 119.078 119.950 0.737 0.000 2.779 306 F HA 0.945 5.472 4.527 -0.001 0.000 0.316 306 F C -0.761 175.287 175.800 0.413 0.000 1.164 306 F CA -1.367 57.009 58.000 0.627 0.000 0.924 306 F CB 1.649 40.879 39.000 0.383 0.000 1.348 306 F HN 0.928 nan 8.300 nan 0.000 0.467 307 R N -0.357 120.345 120.500 0.336 0.000 2.712 307 R HA 0.689 5.028 4.340 -0.001 0.000 0.272 307 R C -3.635 172.589 176.300 -0.127 0.000 1.032 307 R CA -1.934 54.020 56.100 -0.243 0.000 0.874 307 R CB 1.600 31.419 30.300 -0.801 0.000 1.256 307 R HN 0.374 nan 8.270 nan 0.000 0.468 308 P HA 0.314 nan 4.420 nan 0.000 0.278 308 P C -0.731 176.071 177.300 -0.831 0.000 1.238 308 P CA -0.580 61.759 63.100 -1.269 0.000 0.794 308 P CB 1.154 31.524 31.700 -2.215 0.000 0.955 309 K N 1.001 121.089 120.400 -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 56.944 56.287 -0.165 0.000 0.841 309 K CB 0.212 32.617 32.500 -0.157 0.000 1.659 309 K HN 0.349 nan 8.250 nan 0.000 0.435 310 K N 0.297 120.683 120.400 -0.023 0.000 2.331 310 K HA 0.552 4.871 4.320 -0.001 0.000 0.238 310 K C -1.223 175.367 176.600 -0.017 0.000 1.058 310 K CA -0.947 55.301 56.287 -0.064 0.000 0.871 310 K CB 1.713 34.138 32.500 -0.125 0.000 1.292 310 K HN -0.087 nan 8.250 nan 0.000 0.470 311 L N -0.354 120.822 121.223 -0.079 0.000 2.513 311 L HA 0.406 4.746 4.340 -0.001 0.000 0.261 311 L C -1.789 175.037 176.870 -0.073 0.000 0.945 311 L CA 0.007 54.829 54.840 -0.030 0.000 0.848 311 L CB 2.481 44.567 42.059 0.046 0.000 1.334 311 L HN 0.513 nan 8.230 nan 0.000 0.407 312 S N 4.376 120.054 115.700 -0.037 0.000 2.779 312 S HA 0.572 5.042 4.470 -0.001 0.000 0.293 312 S C -1.283 173.353 174.600 0.060 0.000 1.150 312 S CA -0.259 57.919 58.200 -0.036 0.000 1.057 312 S CB 0.734 63.874 63.200 -0.099 0.000 1.021 312 S HN 0.472 nan 8.310 nan 0.000 0.485 313 F N 3.669 123.631 119.950 0.020 0.000 2.436 313 F HA 0.660 5.187 4.527 -0.001 0.000 0.340 313 F C -0.139 175.722 175.800 0.103 0.000 1.113 313 F CA -0.405 57.654 58.000 0.097 0.000 1.022 313 F CB 0.818 39.993 39.000 0.291 0.000 1.128 313 F HN 0.385 nan 8.300 nan 0.000 0.466 314 K N 7.235 127.362 120.400 -0.454 0.000 2.513 314 K HA 0.557 4.876 4.320 -0.001 0.000 0.251 314 K C -2.114 174.424 176.600 -0.103 0.000 0.939 314 K CA -0.619 55.593 56.287 -0.126 0.000 0.793 314 K CB 1.498 33.977 32.500 -0.035 0.000 1.241 314 K HN 0.763 nan 8.250 nan 0.000 0.431 315 L N 6.053 127.385 121.223 0.181 0.000 2.341 315 L HA 0.682 5.021 4.340 -0.001 0.000 0.278 315 L C -0.760 176.373 176.870 0.438 0.000 1.005 315 L CA -0.825 54.130 54.840 0.193 0.000 0.818 315 L CB 0.940 43.102 42.059 0.171 0.000 1.259 315 L HN 0.706 nan 8.230 nan 0.000 0.418 316 F N -0.514 119.547 119.950 0.185 0.000 2.985 316 F HA 0.399 4.925 4.527 -0.001 0.000 0.322 316 F C 0.059 175.944 175.800 0.142 0.000 1.187 316 F CA -1.440 56.648 58.000 0.148 0.000 0.910 316 F CB 1.082 40.135 39.000 0.087 0.000 1.411 316 F HN 0.459 nan 8.300 nan 0.000 0.492 317 N N 0.346 119.213 118.700 0.279 0.000 2.716 317 N HA -0.210 4.529 4.740 -0.001 0.000 0.250 317 N C -0.966 174.543 175.510 -0.002 0.000 1.033 317 N CA 0.566 53.688 53.050 0.120 0.000 0.727 317 N CB -1.141 37.409 38.487 0.104 0.000 0.950 317 N HN 0.470 nan 8.380 nan 0.000 0.541 318 I N 1.006 121.618 120.570 0.069 0.000 2.588 318 I HA 0.012 4.182 4.170 -0.001 0.000 0.283 318 I C 0.519 176.634 176.117 -0.004 0.000 1.119 318 I CA 0.488 61.824 61.300 0.060 0.000 1.419 318 I CB 0.666 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 5.439 125.195 119.800 -0.073 0.000 2.305 319 Q HA 0.511 4.850 4.340 -0.001 0.000 0.271 319 Q C -1.375 174.549 176.000 -0.127 0.000 1.046 319 Q CA -0.771 54.976 55.803 -0.094 0.000 0.798 319 Q CB 3.130 31.791 28.738 -0.128 0.000 1.286 319 Q HN 0.384 nan 8.270 nan 0.000 0.435 320 V N 3.366 123.209 119.914 -0.118 0.000 2.311 320 V HA 0.292 4.412 4.120 -0.001 0.000 0.275 320 V C -0.391 175.552 176.094 -0.251 0.000 1.022 320 V CA -0.707 61.493 62.300 -0.168 0.000 0.830 320 V CB 0.890 32.664 31.823 -0.082 0.000 1.012 320 V HN 0.545 nan 8.190 nan 0.000 0.452 321 K N 4.270 124.372 120.400 -0.496 0.000 2.183 321 K HA 0.496 4.816 4.320 -0.001 0.000 0.274 321 K C -0.118 176.233 176.600 -0.415 0.000 1.009 321 K CA -0.491 55.489 56.287 -0.510 0.000 0.888 321 K CB 2.198 34.256 32.500 -0.735 0.000 1.078 321 K HN 0.861 nan 8.250 nan 0.000 0.459 322 E N 0.523 120.634 120.200 -0.147 0.000 2.166 322 E HA 0.421 4.771 4.350 -0.001 0.000 0.275 322 E C -0.753 175.879 176.600 0.052 0.000 0.941 322 E CA -0.995 55.393 56.400 -0.020 0.000 0.784 322 E CB 1.873 31.572 29.700 -0.002 0.000 1.115 322 E HN 0.122 nan 8.360 nan 0.000 0.399 323 V N 2.760 122.743 119.914 0.114 0.000 2.630 323 V HA 0.751 4.870 4.120 -0.001 0.000 0.305 323 V C -0.909 175.228 176.094 0.071 0.000 1.046 323 V CA -0.017 62.350 62.300 0.111 0.000 0.934 323 V CB 1.926 33.836 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 0.587 4.937 4.350 -0.001 0.000 0.290 324 T C -0.947 173.769 174.700 0.028 0.000 0.993 324 T CA -0.733 61.391 62.100 0.039 0.000 0.975 324 T CB 1.574 70.463 68.868 0.034 0.000 0.981 324 T HN 0.583 nan 8.240 nan 0.000 0.439 325 Q N 3.130 122.944 119.800 0.022 0.000 2.441 325 Q HA 0.405 4.745 4.340 -0.001 0.000 0.234 325 Q C 0.842 176.849 176.000 0.012 0.000 1.078 325 Q CA -0.507 55.304 55.803 0.014 0.000 0.907 325 Q CB 0.622 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 1.382 120.088 118.700 0.011 0.000 2.124 326 N HA -0.068 4.671 4.740 -0.001 0.000 0.189 326 N C 0.123 175.636 175.510 0.006 0.000 1.050 326 N CA 1.215 54.271 53.050 0.009 0.000 0.848 326 N CB 0.353 38.846 38.487 0.009 0.000 1.027 326 N HN 0.451 nan 8.380 nan 0.000 0.435 327 D N -1.369 119.033 120.400 0.004 0.000 3.013 327 D HA 0.206 4.845 4.640 -0.001 0.000 0.256 327 D C 1.021 177.322 176.300 0.001 0.000 1.573 327 D CA 0.611 54.612 54.000 0.002 0.000 1.197 327 D CB -0.373 40.428 40.800 0.002 0.000 1.041 327 D HN 0.275 nan 8.370 nan 0.000 0.304 328 G N -0.094 108.706 108.800 -0.000 0.000 3.969 328 G HA2 0.246 4.205 3.960 -0.001 0.000 0.291 328 G HA3 0.246 4.205 3.960 -0.001 0.000 0.291 328 G C -0.292 174.607 174.900 -0.002 0.000 1.016 328 G CA 0.058 45.157 45.100 -0.002 0.000 0.819 328 G HN 0.220 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 -0.153 174.549 174.700 0.004 0.000 0.990 329 T CA -0.293 61.807 62.100 0.001 0.000 0.976 329 T CB 1.092 69.961 68.868 0.002 0.000 0.970 329 T HN 0.107 nan 8.240 nan 0.000 0.438 330 T N 2.742 117.298 114.554 0.003 0.000 2.729 330 T HA 0.512 4.862 4.350 -0.001 0.000 0.296 330 T C 0.474 175.183 174.700 0.015 0.000 0.928 330 T CA -0.774 61.331 62.100 0.008 0.000 1.045 330 T CB 0.227 69.095 68.868 0.000 0.000 0.902 330 T HN 0.728 nan 8.240 nan 0.000 0.500 331 T N 1.898 116.466 114.554 0.022 0.000 2.795 331 T HA 0.691 5.041 4.350 -0.001 0.000 0.282 331 T C -0.064 174.662 174.700 0.042 0.000 0.980 331 T CA -0.957 61.158 62.100 0.026 0.000 1.012 331 T CB 0.575 69.455 68.868 0.020 0.000 0.936 331 T HN 0.637 nan 8.240 nan 0.000 0.457 332 I N 1.992 122.591 120.570 0.048 0.000 2.433 332 I HA 0.731 4.901 4.170 -0.001 0.000 0.292 332 I C 0.219 176.357 176.117 0.034 0.000 1.001 332 I CA -1.044 60.298 61.300 0.071 0.000 1.119 332 I CB 1.675 39.751 38.000 0.127 0.000 1.289 332 I HN 0.954 nan 8.210 nan 0.000 0.438 333 A N 5.128 127.956 122.820 0.012 0.000 2.525 333 A HA 0.665 4.985 4.320 -0.001 0.000 0.291 333 A C -1.218 176.340 177.584 -0.042 0.000 1.268 333 A CA -0.782 51.249 52.037 -0.010 0.000 0.712 333 A CB 1.385 20.384 19.000 -0.002 0.000 1.320 333 A HN 0.620 nan 8.150 nan 0.000 0.456 334 N N 2.009 120.686 118.700 -0.038 0.000 2.422 334 N HA 0.254 4.993 4.740 -0.001 0.000 0.266 334 N C -1.267 174.219 175.510 -0.040 0.000 1.007 334 N CA -0.185 52.834 53.050 -0.052 0.000 0.941 334 N CB 1.247 39.710 38.487 -0.039 0.000 1.115 334 N HN 0.564 nan 8.380 nan 0.000 0.492 335 N N 3.801 122.470 118.700 -0.052 0.000 2.955 335 N HA 0.200 4.940 4.740 -0.001 0.000 0.242 335 N C 1.049 176.542 175.510 -0.028 0.000 1.123 335 N CA -0.268 52.763 53.050 -0.032 0.000 0.949 335 N CB 0.163 38.631 38.487 -0.031 0.000 1.214 335 N HN 0.486 nan 8.380 nan 0.000 0.504 336 L N 0.540 121.752 121.223 -0.018 0.000 2.046 336 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 336 L C 2.000 178.869 176.870 -0.002 0.000 1.077 336 L CA 1.531 56.365 54.840 -0.010 0.000 0.747 336 L CB -0.754 41.302 42.059 -0.004 0.000 0.896 336 L HN 0.505 nan 8.230 nan 0.000 0.432 337 T N -3.968 110.586 114.554 -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 0.117 nan 8.240 nan 0.000 0.535 338 S N 1.597 117.295 115.700 -0.003 0.000 2.616 338 S HA 0.600 5.069 4.470 -0.001 0.000 0.277 338 S C 0.236 174.838 174.600 0.003 0.000 1.234 338 S CA -0.573 57.623 58.200 -0.006 0.000 1.028 338 S CB 1.067 64.257 63.200 -0.016 0.000 0.988 338 S HN 0.715 nan 8.310 nan 0.000 0.522 339 T N 0.049 114.604 114.554 0.002 0.000 2.926 339 T HA 0.776 5.125 4.350 -0.001 0.000 0.289 339 T C -0.582 174.127 174.700 0.014 0.000 1.054 339 T CA -0.767 61.344 62.100 0.019 0.000 1.015 339 T CB 1.348 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 0.191 120.128 119.914 0.039 0.000 3.040 340 V HA 0.593 4.712 4.120 -0.001 0.000 0.312 340 V C -1.647 174.470 176.094 0.039 0.000 1.115 340 V CA -0.828 61.488 62.300 0.027 0.000 0.998 340 V CB 2.266 34.135 31.823 0.077 0.000 1.042 340 V HN 1.059 nan 8.190 nan 0.000 0.433 341 Q N 3.233 123.040 119.800 0.013 0.000 2.330 341 Q HA 0.736 5.076 4.340 -0.001 0.000 0.269 341 Q C -1.567 174.566 176.000 0.223 0.000 1.022 341 Q CA -0.645 55.230 55.803 0.119 0.000 0.796 341 Q CB 2.539 31.361 28.738 0.139 0.000 1.271 341 Q HN 0.565 nan 8.270 nan 0.000 0.450 342 V N 2.983 122.992 119.914 0.160 0.000 2.823 342 V HA 0.757 4.876 4.120 -0.001 0.000 0.312 342 V C -0.772 175.351 176.094 0.048 0.000 1.072 342 V CA -0.900 61.367 62.300 -0.055 0.000 0.937 342 V CB 1.402 32.865 31.823 -0.600 0.000 1.013 342 V HN 0.778 nan 8.190 nan 0.000 0.430 343 F N 0.307 120.093 119.950 -0.273 0.000 2.703 343 F HA 0.727 5.254 4.527 -0.001 0.000 0.308 343 F C -0.905 174.682 175.800 -0.356 0.000 1.126 343 F CA -0.628 57.232 58.000 -0.233 0.000 0.959 343 F CB 1.849 40.743 39.000 -0.176 0.000 1.297 343 F HN 0.462 nan 8.300 nan 0.000 0.441 344 T N 1.504 115.902 114.554 -0.259 0.000 2.786 344 T HA 0.275 4.625 4.350 -0.001 0.000 0.283 344 T C -1.156 173.338 174.700 -0.343 0.000 0.992 344 T CA -0.383 61.404 62.100 -0.523 0.000 0.954 344 T CB 0.582 69.019 68.868 -0.718 0.000 0.934 344 T HN 0.824 nan 8.240 nan 0.000 0.440 345 D N 3.599 123.711 120.400 -0.479 0.000 2.441 345 D HA 0.221 4.861 4.640 -0.001 0.000 0.243 345 D C 0.821 176.868 176.300 -0.423 0.000 1.257 345 D CA 0.104 53.900 54.000 -0.339 0.000 1.027 345 D CB 0.117 40.674 40.800 -0.405 0.000 1.084 345 D HN 0.449 nan 8.370 nan 0.000 0.514 346 S N 2.295 117.804 115.700 -0.318 0.000 2.503 346 S HA 0.002 4.471 4.470 -0.001 0.000 0.217 346 S C 1.322 175.680 174.600 -0.403 0.000 0.999 346 S CA -0.076 57.886 58.200 -0.397 0.000 0.914 346 S CB 0.209 63.337 63.200 -0.119 0.000 0.782 346 S HN 0.544 nan 8.310 nan 0.000 0.520 347 E N 0.458 120.546 120.200 -0.186 0.000 2.489 347 E HA 0.084 4.434 4.350 -0.001 0.000 0.193 347 E C -0.813 175.838 176.600 0.085 0.000 1.057 347 E CA -0.192 56.197 56.400 -0.019 0.000 0.866 347 E CB -0.125 29.595 29.700 0.033 0.000 0.916 347 E HN 0.545 nan 8.360 nan 0.000 0.500 348 Y N 0.389 120.706 120.300 0.029 0.000 3.078 348 Y HA -0.302 4.247 4.550 -0.001 0.000 0.202 348 Y C 1.058 176.945 175.900 -0.021 0.000 1.322 348 Y CA 0.323 58.425 58.100 0.003 0.000 1.118 348 Y CB -2.261 36.201 38.460 0.004 0.000 1.343 348 Y HN 0.206 nan 8.280 nan 0.000 0.499 349 Q N -0.248 119.593 119.800 0.069 0.000 2.378 349 Q HA 0.265 4.605 4.340 -0.001 0.000 0.216 349 Q C 0.362 176.245 176.000 -0.196 0.000 0.892 349 Q CA 0.092 55.908 55.803 0.022 0.000 0.931 349 Q CB 0.699 29.526 28.738 0.148 0.000 1.086 349 Q HN 0.510 nan 8.270 nan 0.000 0.528 350 L N 2.408 123.481 121.223 -0.251 0.000 2.312 350 L HA 0.355 4.694 4.340 -0.001 0.000 0.281 350 L C -2.208 174.520 176.870 -0.237 0.000 1.070 350 L CA -2.319 52.245 54.840 -0.461 0.000 0.805 350 L CB 0.891 42.615 42.059 -0.557 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 0.096 0.000 1.172 351 P CA 0.232 63.336 63.100 0.006 0.000 0.762 351 P CB -0.023 31.716 31.700 0.065 0.000 0.764 352 Y N 3.962 124.272 120.300 0.016 0.000 2.531 352 Y HA 0.114 4.664 4.550 -0.001 0.000 0.347 352 Y C 1.291 177.195 175.900 0.007 0.000 1.024 352 Y CA 0.409 58.521 58.100 0.021 0.000 1.306 352 Y CB 0.450 38.943 38.460 0.055 0.000 1.149 352 Y HN 0.155 nan 8.280 nan 0.000 0.527 353 V N 6.997 126.745 119.914 -0.276 0.000 3.621 353 V HA 0.158 4.278 4.120 -0.001 0.000 0.285 353 V C 0.456 176.360 176.094 -0.317 0.000 1.346 353 V CA 0.218 62.362 62.300 -0.259 0.000 1.104 353 V CB -0.470 31.124 31.823 -0.383 0.000 0.913 353 V HN 0.581 nan 8.190 nan 0.000 0.432 354 L N 0.115 121.030 121.223 -0.514 0.000 2.468 354 L HA 0.569 4.908 4.340 -0.001 0.000 0.254 354 L C 1.460 178.285 176.870 -0.075 0.000 1.171 354 L CA 0.513 55.136 54.840 -0.361 0.000 0.809 354 L CB 0.225 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 0.500 109.234 108.800 -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 0.374 45.434 45.100 -0.067 0.000 0.791 355 G HN 0.537 nan 8.290 nan 0.000 0.502 356 S N -0.549 115.174 115.700 0.038 0.000 2.855 356 S HA 0.587 5.056 4.470 -0.001 0.000 0.249 356 S C 1.453 175.975 174.600 -0.130 0.000 1.033 356 S CA 1.027 59.239 58.200 0.020 0.000 1.038 356 S CB 0.675 63.966 63.200 0.152 0.000 0.960 356 S HN 2.187 nan 8.310 nan 0.000 0.548 357 A N 1.509 124.288 122.820 -0.067 0.000 2.861 357 A HA -0.214 4.106 4.320 -0.001 0.000 0.261 357 A C 0.331 177.861 177.584 -0.089 0.000 1.351 357 A CA 0.881 52.877 52.037 -0.068 0.000 0.904 357 A CB -2.281 16.673 19.000 -0.077 0.000 1.076 357 A HN 0.674 nan 8.150 nan 0.000 0.729 358 H N 0.098 119.163 119.070 -0.008 0.000 2.745 358 H HA 0.297 4.853 4.556 -0.001 0.000 0.373 358 H C 0.944 176.293 175.328 0.034 0.000 1.226 358 H CA 0.856 56.913 56.048 0.014 0.000 1.435 358 H CB 0.364 30.141 29.762 0.024 0.000 1.461 358 H HN 0.741 nan 8.280 nan 0.000 0.616 359 Q N -0.871 119.040 119.800 0.186 0.000 2.180 359 Q HA 0.414 4.754 4.340 -0.001 0.000 0.241 359 Q C 0.583 176.645 176.000 0.103 0.000 0.970 359 Q CA -0.292 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 -0.496 108.347 108.800 0.072 0.000 2.159 360 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.170 360 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.170 360 G C 0.222 175.098 174.900 -0.039 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 0.268 119.548 119.300 -0.033 0.000 2.827 361 C HA 0.557 5.016 4.460 -0.001 0.000 0.287 361 C C 1.610 176.424 174.990 -0.293 0.000 1.497 361 C CA -0.343 58.618 59.018 -0.094 0.000 2.161 361 C CB -0.330 27.386 27.740 -0.042 0.000 2.120 361 C HN 0.494 nan 8.230 nan 0.000 0.676 362 L N 2.146 123.218 121.223 -0.251 0.000 2.380 362 L HA 0.260 4.600 4.340 -0.001 0.000 0.273 362 L C -2.116 174.720 176.870 -0.057 0.000 1.138 362 L CA -1.240 53.394 54.840 -0.343 0.000 0.832 362 L CB 0.029 41.989 42.059 -0.165 0.000 1.124 362 L HN 0.391 nan 8.230 nan 0.000 0.454 363 P HA 0.038 nan 4.420 nan 0.000 0.265 363 P C -2.063 175.337 177.300 0.166 0.000 1.193 363 P CA -0.903 62.284 63.100 0.146 0.000 0.765 363 P CB 0.210 32.029 31.700 0.198 0.000 0.823 364 P HA -0.140 nan 4.420 nan 0.000 0.215 364 P C 0.255 177.536 177.300 -0.032 0.000 1.157 364 P CA 1.161 64.324 63.100 0.106 0.000 0.868 364 P CB -0.045 31.592 31.700 -0.106 0.000 0.788 365 F N 0.108 119.862 119.950 -0.326 0.000 2.420 365 F HA 0.247 4.773 4.527 -0.001 0.000 0.352 365 F C -1.630 174.124 175.800 -0.078 0.000 1.108 365 F CA -2.867 54.889 58.000 -0.405 0.000 1.162 365 F CB 0.793 39.484 39.000 -0.514 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 1.923 64.918 63.100 -0.175 0.000 0.822 366 P CB 0.061 31.652 31.700 -0.183 0.000 0.784 367 A N -1.141 121.487 122.820 -0.319 0.000 2.119 367 A HA -0.058 4.262 4.320 -0.001 0.000 0.217 367 A C 0.759 178.448 177.584 0.176 0.000 1.153 367 A CA 0.772 52.799 52.037 -0.018 0.000 0.692 367 A CB -1.011 18.037 19.000 0.080 0.000 0.799 367 A HN 0.111 nan 8.150 nan 0.000 0.458 368 D N -0.420 120.132 120.400 0.254 0.000 2.345 368 D HA 0.417 5.056 4.640 -0.001 0.000 0.247 368 D C -0.206 176.250 176.300 0.260 0.000 1.108 368 D CA 0.162 54.319 54.000 0.262 0.000 0.894 368 D CB 1.395 42.365 40.800 0.283 0.000 1.203 368 D HN -0.015 nan 8.370 nan 0.000 0.430 369 V N 2.505 122.551 119.914 0.220 0.000 2.612 369 V HA 0.560 4.680 4.120 -0.001 0.000 0.301 369 V C -0.130 176.127 176.094 0.272 0.000 1.046 369 V CA -0.743 61.681 62.300 0.208 0.000 0.946 369 V CB 0.955 32.827 31.823 0.083 0.000 1.003 369 V HN 0.446 nan 8.190 nan 0.000 0.459 370 F N 1.925 121.959 119.950 0.142 0.000 2.593 370 F HA 0.787 5.313 4.527 -0.001 0.000 0.320 370 F C -0.529 175.350 175.800 0.132 0.000 1.060 370 F CA -1.330 56.749 58.000 0.133 0.000 0.940 370 F CB 1.989 41.079 39.000 0.149 0.000 1.268 370 F HN 0.475 nan 8.300 nan 0.000 0.475 371 M N 3.556 123.254 119.600 0.163 0.000 2.209 371 M HA 0.507 4.986 4.480 -0.001 0.000 0.355 371 M C -1.337 175.046 176.300 0.138 0.000 1.171 371 M CA -0.850 54.482 55.300 0.053 0.000 1.069 371 M CB 1.459 34.103 32.600 0.074 0.000 1.622 371 M HN 0.621 nan 8.290 nan 0.000 0.459 372 V N 8.282 128.196 119.914 0.000 0.000 2.439 372 V HA 0.192 4.311 4.120 -0.001 0.000 0.271 372 V C -1.995 174.026 176.094 -0.122 0.000 1.040 372 V CA -1.157 61.085 62.300 -0.096 0.000 1.002 372 V CB 0.146 31.761 31.823 -0.348 0.000 1.000 372 V HN 0.762 nan 8.190 nan 0.000 0.477 373 P HA 0.065 nan 4.420 nan 0.000 0.271 373 P C -0.566 176.337 177.300 -0.663 0.000 1.238 373 P CA -0.162 62.652 63.100 -0.476 0.000 0.794 373 P CB 0.482 31.712 31.700 -0.783 0.000 0.959 374 Q N 0.229 119.646 119.800 -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 1.365 121.675 120.300 0.017 0.000 2.336 375 Y HA 0.553 5.102 4.550 -0.001 0.000 0.335 375 Y C -0.290 175.651 175.900 0.069 0.000 1.046 375 Y CA 0.257 58.408 58.100 0.086 0.000 1.198 375 Y CB 1.149 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 5.812 114.311 108.800 -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 -2.243 172.405 174.900 -0.420 0.000 1.424 376 G CA -0.802 44.091 45.100 -0.345 0.000 1.029 376 G HN 0.741 nan 8.290 nan 0.000 0.518 377 Y N -0.111 120.006 120.300 -0.306 0.000 2.605 377 Y HA 0.839 5.389 4.550 -0.001 0.000 0.343 377 Y C -0.926 175.000 175.900 0.043 0.000 1.036 377 Y CA -1.636 56.362 58.100 -0.169 0.000 1.065 377 Y CB 1.590 39.992 38.460 -0.097 0.000 1.288 377 Y HN 0.459 nan 8.280 nan 0.000 0.481 378 L N 1.393 122.734 121.223 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 2.481 44.643 42.059 0.172 0.000 1.315 378 L HN 0.938 nan 8.230 nan 0.000 0.445 379 T N 0.007 114.745 114.554 0.307 0.000 2.812 379 T HA 0.356 4.706 4.350 -0.001 0.000 0.294 379 T C -1.045 173.822 174.700 0.277 0.000 1.159 379 T CA -0.714 61.590 62.100 0.340 0.000 1.008 379 T CB 1.603 70.724 68.868 0.422 0.000 1.289 379 T HN 0.222 nan 8.240 nan 0.000 0.514 380 L N 3.323 124.683 121.223 0.229 0.000 2.540 380 L HA 0.354 4.694 4.340 -0.001 0.000 0.276 380 L C -0.089 176.864 176.870 0.138 0.000 1.212 380 L CA 0.387 55.325 54.840 0.163 0.000 0.893 380 L CB -0.689 41.445 42.059 0.125 0.000 1.138 380 L HN 0.900 nan 8.230 nan 0.000 0.491 381 N N 1.695 120.458 118.700 0.105 0.000 2.329 381 N HA 0.336 5.075 4.740 -0.001 0.000 0.282 381 N C -1.274 174.240 175.510 0.005 0.000 1.198 381 N CA -0.802 52.273 53.050 0.043 0.000 0.790 381 N CB 0.951 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 0.832 119.493 118.700 -0.065 0.000 3.044 382 N HA 0.393 5.132 4.740 -0.001 0.000 0.254 382 N C 0.554 175.985 175.510 -0.131 0.000 1.253 382 N CA 0.875 53.882 53.050 -0.072 0.000 0.944 382 N CB -0.226 38.214 38.487 -0.078 0.000 1.217 382 N HN 1.025 nan 8.380 nan 0.000 0.498 383 G N 1.833 110.547 108.800 -0.143 0.000 2.527 383 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.262 383 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.262 383 G C 0.828 175.508 174.900 -0.367 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 0.386 115.835 115.700 -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 1.462 59.584 58.200 -0.130 0.000 0.927 384 S CB 0.163 63.329 63.200 -0.055 0.000 0.774 384 S HN 0.769 nan 8.310 nan 0.000 0.524 385 Q N 0.490 120.169 119.800 -0.202 0.000 2.185 385 Q HA 0.749 5.089 4.340 -0.001 0.000 0.225 385 Q C -0.462 175.291 176.000 -0.411 0.000 0.983 385 Q CA -0.512 55.117 55.803 -0.290 0.000 0.950 385 Q CB 1.326 29.932 28.738 -0.220 0.000 1.176 385 Q HN 0.473 nan 8.270 nan 0.000 0.510 386 A N 0.304 122.765 122.820 -0.599 0.000 2.350 386 A HA 0.694 5.013 4.320 -0.001 0.000 0.318 386 A C -0.790 176.624 177.584 -0.284 0.000 1.132 386 A CA -0.619 51.078 52.037 -0.567 0.000 0.811 386 A CB 1.073 19.416 19.000 -1.096 0.000 1.313 386 A HN 0.443 nan 8.150 nan 0.000 0.454 387 V N 0.070 119.892 119.914 -0.153 0.000 3.109 387 V HA 0.494 4.614 4.120 -0.001 0.000 0.317 387 V C 1.752 177.813 176.094 -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 33.121 31.823 -0.028 0.000 1.111 387 V HN 1.163 nan 8.190 nan 0.000 0.458 388 G N 0.324 109.104 108.800 -0.033 0.000 2.471 388 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.219 388 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.219 388 G C 1.262 176.169 174.900 0.011 0.000 1.125 388 G CA 0.165 45.256 45.100 -0.014 0.000 0.775 388 G HN 0.653 nan 8.290 nan 0.000 0.548 389 R N 0.513 121.025 120.500 0.020 0.000 2.310 389 R HA 0.188 4.528 4.340 -0.001 0.000 0.202 389 R C 0.595 176.935 176.300 0.066 0.000 0.933 389 R CA -0.178 55.947 56.100 0.041 0.000 1.054 389 R CB 0.163 30.489 30.300 0.044 0.000 0.985 389 R HN 0.182 nan 8.270 nan 0.000 0.489 390 S N 0.390 116.135 115.700 0.074 0.000 2.589 390 S HA 0.149 4.618 4.470 -0.001 0.000 0.265 390 S C 0.175 174.846 174.600 0.120 0.000 1.342 390 S CA -0.041 58.239 58.200 0.134 0.000 1.005 390 S CB 1.287 64.592 63.200 0.175 0.000 0.909 390 S HN 0.049 nan 8.310 nan 0.000 0.555 391 S N 1.204 116.981 115.700 0.129 0.000 2.532 391 S HA 0.538 5.008 4.470 -0.001 0.000 0.299 391 S C -1.178 173.324 174.600 -0.162 0.000 1.105 391 S CA -0.575 57.566 58.200 -0.098 0.000 1.018 391 S CB 0.871 63.933 63.200 -0.231 0.000 1.021 391 S HN 0.526 nan 8.310 nan 0.000 0.483 392 F N 3.881 123.568 119.950 -0.439 0.000 2.427 392 F HA 0.619 5.146 4.527 -0.001 0.000 0.346 392 F C -1.536 173.941 175.800 -0.538 0.000 1.120 392 F CA -1.252 56.463 58.000 -0.476 0.000 1.033 392 F CB 0.448 39.190 39.000 -0.431 0.000 1.126 392 F HN 0.548 nan 8.300 nan 0.000 0.462 393 Y N 5.224 125.186 120.300 -0.563 0.000 2.341 393 Y HA 0.457 5.007 4.550 -0.001 0.000 0.338 393 Y C -0.283 175.141 175.900 -0.792 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 -0.427 0.000 1.180 393 Y HN 0.721 nan 8.280 nan 0.000 0.458 394 C N 5.957 124.954 119.300 -0.504 0.000 2.281 394 C HA 0.406 4.866 4.460 -0.001 0.000 0.323 394 C C 0.821 175.821 174.990 0.016 0.000 1.270 394 C CA -0.731 58.003 59.018 -0.474 0.000 1.559 394 C CB -0.971 26.467 27.740 -0.502 0.000 2.239 394 C HN 0.976 nan 8.230 nan 0.000 0.488 395 L N 4.390 125.690 121.223 0.129 0.000 2.622 395 L HA 0.097 4.437 4.340 -0.001 0.000 0.233 395 L C 2.229 179.136 176.870 0.061 0.000 1.156 395 L CA 1.298 56.097 54.840 -0.069 0.000 0.866 395 L CB -0.467 41.178 42.059 -0.690 0.000 0.980 395 L HN 0.688 nan 8.230 nan 0.000 0.448 396 E N -1.642 118.748 120.200 0.316 0.000 2.371 396 E HA -0.134 4.216 4.350 -0.001 0.000 0.194 396 E C 1.346 178.041 176.600 0.158 0.000 1.012 396 E CA 0.517 57.108 56.400 0.318 0.000 0.860 396 E CB -0.089 29.828 29.700 0.362 0.000 0.811 396 E HN 0.548 nan 8.360 nan 0.000 0.502 397 Y N -0.074 120.217 120.300 -0.014 0.000 2.477 397 Y HA 0.079 4.629 4.550 -0.001 0.000 0.303 397 Y C -0.299 175.389 175.900 -0.353 0.000 1.202 397 Y CA -0.136 57.870 58.100 -0.157 0.000 1.282 397 Y CB -0.033 38.307 38.460 -0.199 0.000 1.071 397 Y HN -0.229 nan 8.280 nan 0.000 0.510 398 F N 1.334 121.028 119.950 -0.426 0.000 2.436 398 F HA 0.413 4.940 4.527 -0.001 0.000 0.340 398 F C -2.058 173.375 175.800 -0.612 0.000 1.113 398 F CA -3.117 54.474 58.000 -0.682 0.000 1.022 398 F CB 0.754 38.958 39.000 -1.326 0.000 1.128 398 F HN -0.070 nan 8.300 nan 0.000 0.466 399 P HA 0.123 nan 4.420 nan 0.000 0.262 399 P C -0.975 176.248 177.300 -0.128 0.000 1.199 399 P CA -0.001 62.990 63.100 -0.182 0.000 0.763 399 P CB 0.537 32.157 31.700 -0.134 0.000 0.790 400 S N 1.835 117.524 115.700 -0.019 0.000 2.548 400 S HA 0.397 4.867 4.470 -0.001 0.000 0.286 400 S C -0.812 173.885 174.600 0.162 0.000 1.098 400 S CA -0.992 57.290 58.200 0.137 0.000 0.930 400 S CB 1.682 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 1.958 121.885 119.800 0.211 0.000 2.279 401 Q HA 0.413 4.753 4.340 -0.001 0.000 0.256 401 Q C -1.004 175.099 176.000 0.172 0.000 0.937 401 Q CA -0.268 55.654 55.803 0.197 0.000 0.933 401 Q CB 0.582 29.492 28.738 0.286 0.000 1.189 401 Q HN 0.747 nan 8.270 nan 0.000 0.417 402 M N 4.303 123.983 119.600 0.133 0.000 2.209 402 M HA 0.339 4.818 4.480 -0.001 0.000 0.355 402 M C -1.180 175.185 176.300 0.108 0.000 1.171 402 M CA -0.676 54.688 55.300 0.107 0.000 1.069 402 M CB 0.980 33.625 32.600 0.076 0.000 1.622 402 M HN 0.445 nan 8.290 nan 0.000 0.459 403 L N 2.654 123.941 121.223 0.106 0.000 2.362 403 L HA 0.604 4.944 4.340 -0.001 0.000 0.275 403 L C -0.175 176.749 176.870 0.090 0.000 0.998 403 L CA -0.356 54.553 54.840 0.115 0.000 0.820 403 L CB 1.762 43.913 42.059 0.154 0.000 1.270 403 L HN 0.596 nan 8.230 nan 0.000 0.415 404 R N -0.101 120.446 120.500 0.079 0.000 2.606 404 R HA 0.650 4.990 4.340 -0.001 0.000 0.249 404 R C -0.525 175.816 176.300 0.069 0.000 1.127 404 R CA -0.538 55.598 56.100 0.060 0.000 1.133 404 R CB 1.018 31.346 30.300 0.046 0.000 1.243 404 R HN 0.639 nan 8.270 nan 0.000 0.558 405 T N 0.814 115.398 114.554 0.050 0.000 2.784 405 T HA 0.336 4.685 4.350 -0.001 0.000 0.291 405 T C 0.785 175.520 174.700 0.058 0.000 0.942 405 T CA 0.950 63.081 62.100 0.051 0.000 1.161 405 T CB 0.522 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 0.018 174.974 174.900 0.094 0.000 0.997 406 G CA -0.795 44.353 45.100 0.079 0.000 0.652 406 G HN 0.600 nan 8.290 nan 0.000 0.500 407 N N 1.655 120.421 118.700 0.109 0.000 2.508 407 N HA 0.598 5.338 4.740 -0.001 0.000 0.285 407 N C -0.135 175.480 175.510 0.175 0.000 1.144 407 N CA -0.122 53.005 53.050 0.127 0.000 0.978 407 N CB 1.161 39.723 38.487 0.125 0.000 1.180 407 N HN 0.682 nan 8.380 nan 0.000 0.484 408 N N -0.343 118.468 118.700 0.186 0.000 2.455 408 N HA 0.439 5.179 4.740 -0.001 0.000 0.278 408 N C -1.759 173.922 175.510 0.285 0.000 1.291 408 N CA -0.583 52.614 53.050 0.245 0.000 0.780 408 N CB 1.327 39.941 38.487 0.211 0.000 1.520 408 N HN 0.359 nan 8.380 nan 0.000 0.486 409 F N -0.015 120.029 119.950 0.156 0.000 2.520 409 F HA 0.532 5.059 4.527 -0.000 0.000 0.322 409 F C -0.690 175.210 175.800 0.168 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 5.108 124.540 119.800 -0.614 0.000 2.375 410 Q HA 0.612 4.952 4.340 -0.001 0.000 0.271 410 Q C -2.097 173.674 176.000 -0.381 0.000 1.074 410 Q CA -0.609 54.993 55.803 -0.335 0.000 0.808 410 Q CB 2.166 30.788 28.738 -0.194 0.000 1.327 410 Q HN 0.679 nan 8.270 nan 0.000 0.441 411 F N 1.053 120.873 119.950 -0.218 0.000 2.622 411 F HA 0.598 5.125 4.527 -0.001 0.000 0.318 411 F C -1.527 174.263 175.800 -0.016 0.000 1.135 411 F CA -0.251 57.680 58.000 -0.116 0.000 1.015 411 F CB 1.679 40.683 39.000 0.006 0.000 1.275 411 F HN 0.484 nan 8.300 nan 0.000 0.457 412 S N 5.182 120.376 115.700 -0.845 0.000 2.500 412 S HA 0.561 5.031 4.470 -0.001 0.000 0.301 412 S C -1.891 172.188 174.600 -0.868 0.000 1.092 412 S CA -0.554 57.245 58.200 -0.668 0.000 1.030 412 S CB 1.665 64.642 63.200 -0.371 0.000 1.031 412 S HN 0.622 nan 8.310 nan 0.000 0.483 413 Y N 1.353 121.225 120.300 -0.714 0.000 2.545 413 Y HA 0.638 5.188 4.550 -0.001 0.000 0.348 413 Y C -0.958 174.674 175.900 -0.447 0.000 1.002 413 Y CA -0.470 57.276 58.100 -0.589 0.000 1.039 413 Y CB 1.800 39.956 38.460 -0.508 0.000 1.271 413 Y HN 0.522 nan 8.280 nan 0.000 0.467 414 T N 6.314 120.092 114.554 -1.293 0.000 2.864 414 T HA 0.380 4.729 4.350 -0.001 0.000 0.299 414 T C -0.876 173.109 174.700 -1.192 0.000 1.011 414 T CA -0.431 61.097 62.100 -0.952 0.000 0.975 414 T CB -0.088 68.470 68.868 -0.516 0.000 0.962 414 T HN 0.453 nan 8.240 nan 0.000 0.448 415 F N 2.974 122.470 119.950 -0.757 0.000 2.595 415 F HA 0.137 4.663 4.527 -0.001 0.000 0.359 415 F C 1.627 177.238 175.800 -0.315 0.000 1.147 415 F CA -0.198 57.545 58.000 -0.430 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 0.657 120.867 120.200 0.017 0.000 2.622 416 E HA 0.175 4.525 4.350 -0.001 0.000 0.255 416 E C -1.186 175.396 176.600 -0.031 0.000 1.313 416 E CA -0.980 55.410 56.400 -0.017 0.000 1.011 416 E CB 0.346 30.067 29.700 0.035 0.000 1.173 416 E HN 0.356 nan 8.360 nan 0.000 0.601 417 D N 0.474 120.852 120.400 -0.038 0.000 2.358 417 D HA 0.226 4.866 4.640 -0.001 0.000 0.258 417 D C -1.137 175.134 176.300 -0.049 0.000 1.223 417 D CA 0.123 54.090 54.000 -0.055 0.000 0.886 417 D CB 1.194 41.975 40.800 -0.032 0.000 1.120 417 D HN 0.230 nan 8.370 nan 0.000 0.482 418 V N 4.565 124.419 119.914 -0.099 0.000 2.668 418 V HA 0.396 4.516 4.120 -0.001 0.000 0.304 418 V C -2.560 173.499 176.094 -0.058 0.000 1.071 418 V CA -2.217 60.053 62.300 -0.050 0.000 0.894 418 V CB 2.154 33.960 31.823 -0.028 0.000 1.008 418 V HN 0.341 nan 8.190 nan 0.000 0.425 419 P HA 0.076 nan 4.420 nan 0.000 0.263 419 P C -0.436 176.996 177.300 0.219 0.000 1.175 419 P CA 0.398 63.581 63.100 0.137 0.000 0.761 419 P CB 0.007 31.790 31.700 0.139 0.000 0.794 420 F N 1.344 121.387 119.950 0.154 0.000 2.628 420 F HA -0.016 4.511 4.527 -0.001 0.000 0.362 420 F C 1.751 177.666 175.800 0.191 0.000 1.148 420 F CA 0.656 58.766 58.000 0.184 0.000 1.352 420 F CB -0.092 38.991 39.000 0.139 0.000 1.081 420 F HN 0.430 nan 8.300 nan 0.000 0.605 421 H N 0.646 119.821 119.070 0.175 0.000 2.607 421 H HA 0.260 4.815 4.556 -0.001 0.000 0.367 421 H C -0.383 174.950 175.328 0.008 0.000 1.181 421 H CA -0.557 55.440 56.048 -0.086 0.000 1.402 421 H CB 0.761 30.230 29.762 -0.488 0.000 1.474 421 H HN 0.449 nan 8.280 nan 0.000 0.596 422 S N 2.752 117.841 115.700 -1.018 0.000 2.681 422 S HA 0.065 4.535 4.470 -0.001 0.000 0.313 422 S C 0.198 174.380 174.600 -0.697 0.000 1.137 422 S CA -0.368 57.348 58.200 -0.807 0.000 1.045 422 S CB 0.056 62.635 63.200 -1.034 0.000 1.208 422 S HN 0.596 nan 8.310 nan 0.000 0.523 423 S N 2.738 118.375 115.700 -0.104 0.000 2.763 423 S HA 0.203 4.672 4.470 -0.001 0.000 0.237 423 S C -0.067 174.592 174.600 0.097 0.000 0.966 423 S CA -0.446 57.811 58.200 0.095 0.000 1.017 423 S CB -0.590 62.787 63.200 0.294 0.000 0.780 423 S HN 0.803 nan 8.310 nan 0.000 0.476 424 Y N -1.581 118.600 120.300 -0.198 0.000 2.638 424 Y HA 0.886 5.436 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 0.779 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 1.249 123.936 122.820 -0.222 0.000 2.422 425 A HA 0.523 4.843 4.320 -0.001 0.000 0.302 425 A C -1.541 175.929 177.584 -0.190 0.000 1.041 425 A CA -0.910 50.957 52.037 -0.284 0.000 0.708 425 A CB 0.705 19.616 19.000 -0.149 0.000 1.257 425 A HN 0.862 nan 8.150 nan 0.000 0.414 426 H N 1.987 121.054 119.070 -0.005 0.000 2.803 426 H HA 0.126 4.682 4.556 -0.001 0.000 0.330 426 H C 1.251 176.574 175.328 -0.008 0.000 1.057 426 H CA 0.922 56.971 56.048 0.001 0.000 1.458 426 H CB 1.183 30.939 29.762 -0.009 0.000 1.470 426 H HN 0.776 nan 8.280 nan 0.000 0.560 427 S N 2.030 117.792 115.700 0.103 0.000 2.528 427 S HA 0.027 4.496 4.470 -0.001 0.000 0.219 427 S C 0.677 175.314 174.600 0.062 0.000 0.985 427 S CA -0.093 58.148 58.200 0.069 0.000 0.914 427 S CB 0.558 63.794 63.200 0.060 0.000 0.776 427 S HN 0.571 nan 8.310 nan 0.000 0.526 428 Q N 0.657 120.498 119.800 0.068 0.000 2.252 428 Q HA 0.657 4.996 4.340 -0.001 0.000 0.256 428 Q C -0.856 175.152 176.000 0.014 0.000 1.020 428 Q CA -0.629 55.193 55.803 0.031 0.000 0.913 428 Q CB 1.853 30.598 28.738 0.011 0.000 1.286 428 Q HN 0.305 nan 8.270 nan 0.000 0.480 429 S N -0.468 115.228 115.700 -0.007 0.000 2.638 429 S HA 0.381 4.850 4.470 -0.001 0.000 0.302 429 S C 0.713 175.294 174.600 -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 1.452 122.655 121.223 -0.034 0.000 2.017 430 L HA -0.077 4.263 4.340 -0.001 0.000 0.208 430 L C 2.019 178.901 176.870 0.020 0.000 1.073 430 L CA 1.887 56.723 54.840 -0.006 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 -1.167 119.233 120.400 -0.000 0.000 2.289 431 D HA -0.123 4.517 4.640 -0.001 0.000 0.207 431 D C 0.947 177.240 176.300 -0.012 0.000 0.966 431 D CA 0.384 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 0.980 121.475 120.500 -0.009 0.000 3.863 432 R HA 0.229 4.569 4.340 -0.001 0.000 0.304 432 R C 0.729 177.028 176.300 -0.001 0.000 1.485 432 R CA -0.258 55.838 56.100 -0.008 0.000 1.355 432 R CB 0.342 30.639 30.300 -0.006 0.000 1.457 432 R HN 0.215 nan 8.270 nan 0.000 0.669 433 L N 0.413 121.639 121.223 0.006 0.000 2.575 433 L HA 0.197 4.536 4.340 -0.001 0.000 0.228 433 L C 0.440 177.319 176.870 0.015 0.000 1.075 433 L CA 0.761 55.611 54.840 0.016 0.000 0.867 433 L CB 0.156 42.241 42.059 0.044 0.000 1.097 433 L HN 0.159 nan 8.230 nan 0.000 0.485 434 M N -0.717 118.885 119.600 0.002 0.000 1.801 434 M HA 0.215 4.695 4.480 -0.001 0.000 0.198 434 M C 0.444 176.738 176.300 -0.010 0.000 1.248 434 M CA -0.054 55.240 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 0.475 119.165 118.700 -0.017 0.000 2.422 435 N HA 0.348 5.087 4.740 -0.001 0.000 0.266 435 N C -2.213 173.288 175.510 -0.015 0.000 1.007 435 N CA -1.679 51.364 53.050 -0.012 0.000 0.941 435 N CB 1.055 39.536 38.487 -0.009 0.000 1.115 435 N HN 0.325 nan 8.380 nan 0.000 0.492 436 P HA -0.011 nan 4.420 nan 0.000 0.225 436 P C 0.901 178.196 177.300 -0.009 0.000 1.148 436 P CA 0.643 63.737 63.100 -0.010 0.000 0.779 436 P CB 0.553 32.249 31.700 -0.006 0.000 0.780 437 L N -2.042 119.177 121.223 -0.007 0.000 2.316 437 L HA 0.127 4.466 4.340 -0.001 0.000 0.207 437 L C 1.083 177.950 176.870 -0.004 0.000 1.070 437 L CA 0.756 55.593 54.840 -0.005 0.000 0.820 437 L CB -0.420 41.638 42.059 -0.002 0.000 0.992 437 L HN -0.139 nan 8.230 nan 0.000 0.466 438 I N -0.413 120.153 120.570 -0.007 0.000 2.577 438 I HA 0.283 4.452 4.170 -0.001 0.000 0.305 438 I C -0.513 175.592 176.117 -0.020 0.000 0.986 438 I CA -0.833 60.464 61.300 -0.006 0.000 1.189 438 I CB 1.011 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 2.943 123.332 120.400 -0.019 0.000 2.253 439 D HA 0.359 4.999 4.640 -0.001 0.000 0.249 439 D C 0.059 176.318 176.300 -0.068 0.000 1.049 439 D CA -0.403 53.574 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 0.252 119.980 119.800 -0.120 0.000 2.417 440 Q HA 0.136 4.476 4.340 -0.001 0.000 0.241 440 Q C 0.174 176.066 176.000 -0.181 0.000 1.008 440 Q CA -0.234 55.434 55.803 -0.225 0.000 0.901 440 Q CB 0.635 29.224 28.738 -0.248 0.000 1.259 440 Q HN 0.676 nan 8.270 nan 0.000 0.489 441 Y N -0.844 119.422 120.300 -0.057 0.000 2.457 441 Y HA 0.367 4.917 4.550 -0.001 0.000 0.263 441 Y C -0.062 175.819 175.900 -0.031 0.000 1.164 441 Y CA -0.494 57.580 58.100 -0.044 0.000 1.274 441 Y CB 0.296 38.761 38.460 0.010 0.000 1.097 441 Y HN 0.249 nan 8.280 nan 0.000 0.523 442 L N 0.908 122.096 121.223 -0.058 0.000 2.399 442 L HA 0.370 4.709 4.340 -0.001 0.000 0.265 442 L C -1.020 175.828 176.870 -0.037 0.000 1.089 442 L CA -0.943 53.934 54.840 0.062 0.000 0.802 442 L CB 0.934 42.983 42.059 -0.017 0.000 1.180 442 L HN 0.095 nan 8.230 nan 0.000 0.454 443 Y N 0.507 120.868 120.300 0.101 0.000 2.429 443 Y HA 0.461 5.010 4.550 -0.001 0.000 0.342 443 Y C -0.412 175.594 175.900 0.178 0.000 1.004 443 Y CA -0.573 57.583 58.100 0.093 0.000 1.075 443 Y CB 1.790 40.237 38.460 -0.021 0.000 1.214 443 Y HN 0.383 nan 8.280 nan 0.000 0.455 444 Y N 0.377 120.824 120.300 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 0.339 0.000 1.036 444 Y CA -1.753 56.481 58.100 0.223 0.000 1.065 444 Y CB 1.163 39.684 38.460 0.103 0.000 1.288 444 Y HN 0.545 nan 8.280 nan 0.000 0.481 445 L N 2.884 124.315 121.223 0.347 0.000 2.276 445 L HA 0.404 4.744 4.340 -0.001 0.000 0.286 445 L C 0.006 176.928 176.870 0.087 0.000 1.061 445 L CA -0.165 54.741 54.840 0.110 0.000 0.807 445 L CB 0.882 42.979 42.059 0.063 0.000 1.177 445 L HN 1.070 nan 8.230 nan 0.000 0.429 446 N N 2.186 120.853 118.700 -0.054 0.000 2.145 446 N HA 0.174 4.913 4.740 -0.001 0.000 0.219 446 N C -0.489 175.006 175.510 -0.025 0.000 1.266 446 N CA -0.648 52.431 53.050 0.048 0.000 0.902 446 N CB 0.642 39.203 38.487 0.124 0.000 1.078 446 N HN 0.312 nan 8.380 nan 0.000 0.513 447 R N 0.964 121.397 120.500 -0.111 0.000 2.502 447 R HA 0.263 4.603 4.340 -0.001 0.000 0.300 447 R C -0.005 176.207 176.300 -0.148 0.000 0.984 447 R CA -0.311 55.725 56.100 -0.107 0.000 0.882 447 R CB 1.481 31.719 30.300 -0.103 0.000 1.180 447 R HN 0.269 nan 8.270 nan 0.000 0.444 448 T N -1.789 112.706 114.554 -0.098 0.000 3.034 448 T HA -0.044 4.305 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 0.484 62.526 62.100 -0.096 0.000 1.107 448 T CB 0.405 69.237 68.868 -0.060 0.000 0.932 448 T HN 0.586 nan 8.240 nan 0.000 0.474 449 Q N 0.972 120.737 119.800 -0.059 0.000 2.534 449 Q HA 0.371 4.711 4.340 -0.001 0.000 0.207 449 Q C 1.599 177.574 176.000 -0.041 0.000 0.735 449 Q CA -0.012 55.764 55.803 -0.045 0.000 0.904 449 Q CB -0.568 28.151 28.738 -0.032 0.000 1.294 449 Q HN 0.294 nan 8.270 nan 0.000 0.553 450 G N 2.266 111.045 108.800 -0.036 0.000 2.198 450 G HA2 0.195 4.155 3.960 -0.001 0.000 0.280 450 G HA3 0.195 4.155 3.960 -0.001 0.000 0.280 450 G C -0.308 174.573 174.900 -0.032 0.000 0.954 450 G CA 0.766 45.849 45.100 -0.029 0.000 1.281 450 G HN 0.363 nan 8.290 nan 0.000 0.373 451 T N 0.952 115.489 114.554 -0.028 0.000 2.849 451 T HA 0.307 4.657 4.350 -0.001 0.000 0.272 451 T C 1.026 175.715 174.700 -0.019 0.000 1.046 451 T CA -0.524 61.560 62.100 -0.027 0.000 0.983 451 T CB 0.542 69.394 68.868 -0.028 0.000 1.721 451 T HN 0.164 nan 8.240 nan 0.000 0.594 452 T N 2.729 117.274 114.554 -0.016 0.000 4.216 452 T HA 0.106 4.456 4.350 -0.001 0.000 0.221 452 T C 0.457 175.150 174.700 -0.011 0.000 0.939 452 T CA 0.128 62.221 62.100 -0.011 0.000 1.218 452 T CB -0.787 68.075 68.868 -0.009 0.000 1.266 452 T HN 0.494 nan 8.240 nan 0.000 0.917 453 S N 1.949 117.642 115.700 -0.011 0.000 2.429 453 S HA 0.482 4.952 4.470 -0.001 0.000 0.292 453 S C 1.147 175.742 174.600 -0.008 0.000 1.183 453 S CA 0.180 58.374 58.200 -0.010 0.000 1.088 453 S CB -0.125 63.069 63.200 -0.011 0.000 1.018 453 S HN 0.843 nan 8.310 nan 0.000 0.511 454 G N 3.583 112.378 108.800 -0.008 0.000 4.170 454 G HA2 0.161 4.120 3.960 -0.001 0.000 0.143 454 G HA3 0.161 4.120 3.960 -0.001 0.000 0.143 454 G C -0.294 174.602 174.900 -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 2.282 116.832 114.554 -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 0.610 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 3.654 118.204 114.554 -0.007 0.000 3.760 456 T HA -0.171 4.179 4.350 -0.001 0.000 0.366 456 T C 0.147 174.842 174.700 -0.009 0.000 0.761 456 T CA 0.549 62.644 62.100 -0.007 0.000 1.887 456 T CB -1.211 67.653 68.868 -0.006 0.000 1.811 456 T HN 0.621 nan 8.240 nan 0.000 0.749 457 N N 1.619 120.313 118.700 -0.010 0.000 2.841 457 N HA 0.117 4.857 4.740 -0.001 0.000 0.257 457 N C 1.412 176.913 175.510 -0.015 0.000 1.396 457 N CA -0.503 52.539 53.050 -0.013 0.000 0.823 457 N CB 1.293 39.772 38.487 -0.014 0.000 1.162 457 N HN 0.529 nan 8.380 nan 0.000 0.503 458 Q N 0.282 120.073 119.800 -0.015 0.000 1.984 458 Q HA 0.031 4.371 4.340 -0.001 0.000 0.196 458 Q C 0.252 176.240 176.000 -0.020 0.000 0.975 458 Q CA 0.920 56.714 55.803 -0.015 0.000 0.827 458 Q CB -0.197 28.534 28.738 -0.013 0.000 0.894 458 Q HN 0.320 nan 8.270 nan 0.000 0.438 459 S N -0.842 114.844 115.700 -0.023 0.000 2.550 459 S HA 0.760 5.230 4.470 -0.001 0.000 0.270 459 S C -1.032 173.546 174.600 -0.037 0.000 1.145 459 S CA -1.039 57.143 58.200 -0.031 0.000 0.852 459 S CB 3.071 66.253 63.200 -0.029 0.000 1.119 459 S HN 0.449 nan 8.310 nan 0.000 0.465 460 R N 1.071 121.538 120.500 -0.054 0.000 2.579 460 R HA 0.394 4.734 4.340 -0.001 0.000 0.260 460 R C -1.965 174.266 176.300 -0.115 0.000 1.103 460 R CA -0.751 55.310 56.100 -0.066 0.000 0.942 460 R CB 1.055 31.322 30.300 -0.055 0.000 1.251 460 R HN 0.806 nan 8.270 nan 0.000 0.450 461 L N 5.685 126.826 121.223 -0.137 0.000 2.325 461 L HA 0.392 4.732 4.340 -0.001 0.000 0.284 461 L C -0.468 176.141 176.870 -0.435 0.000 1.089 461 L CA -0.224 54.446 54.840 -0.284 0.000 0.836 461 L CB 0.590 42.526 42.059 -0.204 0.000 1.184 461 L HN 0.376 nan 8.230 nan 0.000 0.444 462 L N 4.128 125.014 121.223 -0.561 0.000 2.385 462 L HA 0.573 4.913 4.340 -0.001 0.000 0.273 462 L C -0.829 175.666 176.870 -0.624 0.000 0.990 462 L CA -0.421 54.145 54.840 -0.457 0.000 0.821 462 L CB 1.916 43.851 42.059 -0.207 0.000 1.279 462 L HN 0.336 nan 8.230 nan 0.000 0.412 463 F N 0.277 120.183 119.950 -0.073 0.000 2.522 463 F HA 0.582 5.109 4.527 -0.001 0.000 0.324 463 F C 0.380 176.123 175.800 -0.095 0.000 1.077 463 F CA -0.585 57.355 58.000 -0.101 0.000 0.944 463 F CB 2.197 41.165 39.000 -0.053 0.000 1.175 463 F HN 0.260 nan 8.300 nan 0.000 0.468 464 S N 0.670 116.277 115.700 -0.155 0.000 2.536 464 S HA 0.321 4.791 4.470 -0.001 0.000 0.298 464 S C -1.024 173.385 174.600 -0.319 0.000 1.083 464 S CA -0.868 57.194 58.200 -0.230 0.000 0.995 464 S CB 1.823 64.788 63.200 -0.391 0.000 1.058 464 S HN 0.638 nan 8.310 nan 0.000 0.488 465 Q N 2.119 121.753 119.800 -0.276 0.000 2.288 465 Q HA 0.543 4.883 4.340 -0.001 0.000 0.258 465 Q C -0.227 175.713 176.000 -0.101 0.000 0.957 465 Q CA -0.712 54.718 55.803 -0.623 0.000 0.919 465 Q CB 0.776 29.082 28.738 -0.720 0.000 1.185 465 Q HN 0.782 nan 8.270 nan 0.000 0.408 466 A N 3.397 126.255 122.820 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 0.775 52.893 52.037 0.134 0.000 0.755 466 A CB 0.091 19.084 19.000 -0.011 0.000 0.980 466 A HN 0.887 nan 8.150 nan 0.000 0.506 467 G N 1.088 109.898 108.800 0.017 0.000 2.818 467 G HA2 0.597 4.557 3.960 -0.001 0.000 0.286 467 G HA3 0.597 4.557 3.960 -0.001 0.000 0.286 467 G C -2.404 172.485 174.900 -0.018 0.000 1.364 467 G CA -1.026 44.069 45.100 -0.007 0.000 0.938 467 G HN 0.302 nan 8.290 nan 0.000 0.490 468 P HA -0.053 nan 4.420 nan 0.000 0.222 468 P C 1.512 178.804 177.300 -0.014 0.000 1.147 468 P CA 1.063 64.152 63.100 -0.018 0.000 0.790 468 P CB 0.308 32.001 31.700 -0.012 0.000 0.780 469 Q N -0.335 119.463 119.800 -0.003 0.000 2.096 469 Q HA -0.017 4.323 4.340 -0.001 0.000 0.197 469 Q C 1.082 177.083 176.000 0.002 0.000 0.964 469 Q CA 1.326 57.131 55.803 0.005 0.000 0.838 469 Q CB -0.471 28.277 28.738 0.016 0.000 0.906 469 Q HN 0.285 nan 8.270 nan 0.000 0.444 470 S N -0.020 115.683 115.700 0.005 0.000 3.983 470 S HA 0.217 4.687 4.470 -0.001 0.000 0.194 470 S C 0.839 175.387 174.600 -0.088 0.000 1.464 470 S CA -0.313 57.874 58.200 -0.023 0.000 1.021 470 S CB 0.146 63.365 63.200 0.032 0.000 1.424 470 S HN 0.221 nan 8.310 nan 0.000 0.473 471 M N 2.341 121.902 119.600 -0.065 0.000 2.156 471 M HA -0.061 4.419 4.480 -0.001 0.000 0.264 471 M C 1.821 178.066 176.300 -0.093 0.000 1.067 471 M CA 1.570 56.828 55.300 -0.071 0.000 1.131 471 M CB -0.064 32.510 32.600 -0.044 0.000 1.368 471 M HN 0.676 nan 8.290 nan 0.000 0.416 472 S N -0.734 114.911 115.700 -0.092 0.000 2.679 472 S HA 0.209 4.679 4.470 -0.001 0.000 0.233 472 S C 0.888 175.401 174.600 -0.146 0.000 0.951 472 S CA -0.294 57.847 58.200 -0.099 0.000 0.973 472 S CB -0.387 62.770 63.200 -0.071 0.000 0.778 472 S HN 0.567 nan 8.310 nan 0.000 0.477 473 L N -0.491 120.596 121.223 -0.226 0.000 2.993 473 L HA 0.310 4.650 4.340 -0.001 0.000 0.264 473 L C 0.656 177.224 176.870 -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 -0.552 0.000 1.373 473 L HN 0.254 nan 8.230 nan 0.000 0.564 474 Q N 1.191 120.790 119.800 -0.335 0.000 2.432 474 Q HA 0.337 4.677 4.340 -0.001 0.000 0.264 474 Q C 0.506 176.390 176.000 -0.193 0.000 1.035 474 Q CA -0.100 55.546 55.803 -0.262 0.000 0.908 474 Q CB 0.973 29.609 28.738 -0.169 0.000 1.280 474 Q HN 0.273 nan 8.270 nan 0.000 0.455 475 A N 1.917 124.646 122.820 -0.151 0.000 2.520 475 A HA 0.196 4.516 4.320 -0.001 0.000 0.235 475 A C -0.041 177.473 177.584 -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 0.332 120.765 120.500 -0.111 0.000 2.807 476 R HA 0.449 4.789 4.340 -0.001 0.000 0.276 476 R C 0.228 176.409 176.300 -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 0.226 118.739 118.700 -0.312 0.000 2.250 477 N HA 0.163 4.903 4.740 -0.001 0.000 0.190 477 N C -1.022 173.878 175.510 -1.016 0.000 1.116 477 N CA 0.338 52.934 53.050 -0.758 0.000 0.881 477 N CB 0.456 38.332 38.487 -1.019 0.000 1.006 477 N HN 0.368 nan 8.380 nan 0.000 0.491 478 W N 0.080 121.379 121.300 -0.001 0.000 3.083 478 W HA 0.546 5.205 4.660 -0.001 0.000 0.333 478 W C -0.697 175.834 176.519 0.019 0.000 1.217 478 W CA -0.767 56.586 57.345 0.013 0.000 1.170 478 W CB 0.811 30.270 29.460 -0.001 0.000 1.437 478 W HN -0.371 nan 8.180 nan 0.000 0.557 479 L N 2.019 123.425 121.223 0.305 0.000 2.303 479 L HA 0.652 4.991 4.340 -0.001 0.000 0.266 479 L C -2.141 174.854 176.870 0.208 0.000 1.011 479 L CA -2.725 52.238 54.840 0.204 0.000 0.818 479 L CB 0.533 42.712 42.059 0.200 0.000 1.326 479 L HN 0.068 nan 8.230 nan 0.000 0.435 480 P HA 0.243 nan 4.420 nan 0.000 0.274 480 P C -0.116 177.343 177.300 0.264 0.000 1.256 480 P CA -0.372 62.829 63.100 0.168 0.000 0.795 480 P CB 0.442 32.191 31.700 0.083 0.000 1.038 481 G N 0.678 109.639 108.800 0.269 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 0.109 0.000 1.212 481 G CA -0.931 44.316 45.100 0.246 0.000 0.874 481 G HN 0.363 nan 8.290 nan 0.000 0.561 482 P HA 0.209 nan 4.420 nan 0.000 0.273 482 P C 0.106 177.333 177.300 -0.123 0.000 1.258 482 P CA -0.030 62.943 63.100 -0.213 0.000 0.802 482 P CB 0.599 32.062 31.700 -0.394 0.000 1.040 483 C N -1.868 117.339 119.300 -0.154 0.000 3.285 483 C HA 0.706 5.166 4.460 -0.001 0.000 0.325 483 C C -1.719 173.296 174.990 0.041 0.000 1.304 483 C CA -0.721 58.277 59.018 -0.033 0.000 1.319 483 C CB 0.696 28.458 27.740 0.037 0.000 1.640 483 C HN 0.604 nan 8.230 nan 0.000 0.477 484 Y N 1.721 121.978 120.300 -0.070 0.000 2.379 484 Y HA 0.491 5.040 4.550 -0.001 0.000 0.342 484 Y C 0.339 176.225 175.900 -0.023 0.000 1.126 484 Y CA -0.327 57.740 58.100 -0.054 0.000 1.310 484 Y CB 0.511 38.946 38.460 -0.042 0.000 1.115 484 Y HN 1.055 nan 8.280 nan 0.000 0.505 485 R N 3.693 124.076 120.500 -0.195 0.000 2.500 485 R HA 0.017 4.356 4.340 -0.001 0.000 0.281 485 R C -0.476 175.746 176.300 -0.130 0.000 0.953 485 R CA 0.810 56.827 56.100 -0.137 0.000 1.108 485 R CB 0.494 30.701 30.300 -0.155 0.000 0.901 485 R HN 0.608 nan 8.270 nan 0.000 0.410 486 Q N 2.317 122.075 119.800 -0.070 0.000 2.297 486 Q HA 0.141 4.480 4.340 -0.001 0.000 0.268 486 Q C -0.828 175.109 176.000 -0.104 0.000 1.045 486 Q CA -0.940 54.810 55.803 -0.088 0.000 0.861 486 Q CB 1.834 30.516 28.738 -0.093 0.000 1.344 486 Q HN 0.515 nan 8.270 nan 0.000 0.452 487 Q N 1.231 120.964 119.800 -0.111 0.000 2.327 487 Q HA 0.139 4.478 4.340 -0.001 0.000 0.254 487 Q C -0.759 175.179 176.000 -0.103 0.000 0.952 487 Q CA 0.150 55.903 55.803 -0.083 0.000 0.884 487 Q CB 0.751 29.486 28.738 -0.005 0.000 1.224 487 Q HN 0.386 nan 8.270 nan 0.000 0.422 488 R N 3.125 123.567 120.500 -0.098 0.000 2.308 488 R HA 0.419 4.759 4.340 -0.001 0.000 0.305 488 R C -1.216 175.044 176.300 -0.066 0.000 1.053 488 R CA -0.384 55.653 56.100 -0.103 0.000 0.957 488 R CB 0.296 30.513 30.300 -0.139 0.000 1.022 488 R HN 0.531 nan 8.270 nan 0.000 0.461 489 L N 2.078 123.181 121.223 -0.199 0.000 2.354 489 L HA 0.429 4.768 4.340 -0.001 0.000 0.269 489 L C -0.237 176.598 176.870 -0.057 0.000 1.005 489 L CA -0.172 54.534 54.840 -0.224 0.000 0.819 489 L CB 2.040 43.693 42.059 -0.676 0.000 1.311 489 L HN 0.586 nan 8.230 nan 0.000 0.423 490 S N 0.230 115.993 115.700 0.105 0.000 2.549 490 S HA 0.435 4.905 4.470 -0.001 0.000 0.297 490 S C 0.770 175.452 174.600 0.137 0.000 1.115 490 S CA -0.578 57.637 58.200 0.026 0.000 1.059 490 S CB 1.041 64.212 63.200 -0.049 0.000 1.046 490 S HN 0.644 nan 8.310 nan 0.000 0.506 491 K N 1.320 121.775 120.400 0.092 0.000 2.288 491 K HA 0.027 4.346 4.320 -0.001 0.000 0.201 491 K C 0.225 176.835 176.600 0.017 0.000 1.048 491 K CA 0.693 57.034 56.287 0.090 0.000 0.956 491 K CB -0.226 32.273 32.500 -0.003 0.000 0.746 491 K HN 0.496 nan 8.250 nan 0.000 0.461 492 T N 1.875 116.410 114.554 -0.032 0.000 2.738 492 T HA 0.179 4.529 4.350 -0.001 0.000 0.293 492 T C 0.597 175.307 174.700 0.018 0.000 0.913 492 T CA -0.288 61.799 62.100 -0.022 0.000 1.103 492 T CB 1.232 70.070 68.868 -0.050 0.000 0.880 492 T HN 0.146 nan 8.240 nan 0.000 0.526 493 A N 3.893 126.728 122.820 0.025 0.000 2.223 493 A HA 0.046 4.366 4.320 -0.001 0.000 0.222 493 A C 1.613 179.223 177.584 0.043 0.000 1.317 493 A CA 0.100 52.161 52.037 0.041 0.000 0.985 493 A CB -0.672 18.346 19.000 0.030 0.000 0.858 493 A HN 0.948 nan 8.150 nan 0.000 0.496 494 N N -2.655 116.071 118.700 0.043 0.000 2.067 494 N HA -0.029 4.711 4.740 -0.001 0.000 0.227 494 N C -0.331 175.213 175.510 0.057 0.000 1.348 494 N CA 0.249 53.326 53.050 0.045 0.000 0.879 494 N CB 0.099 38.604 38.487 0.030 0.000 1.109 494 N HN 0.113 nan 8.380 nan 0.000 0.501 495 D N 1.024 121.465 120.400 0.068 0.000 2.277 495 D HA 0.069 4.708 4.640 -0.001 0.000 0.208 495 D C 0.183 176.551 176.300 0.115 0.000 0.962 495 D CA 0.672 54.731 54.000 0.099 0.000 0.865 495 D CB 0.015 40.894 40.800 0.133 0.000 0.939 495 D HN 0.268 nan 8.370 nan 0.000 0.510 496 N N 1.110 119.883 118.700 0.121 0.000 2.445 496 N HA 0.013 4.753 4.740 -0.001 0.000 0.264 496 N C 0.061 175.645 175.510 0.123 0.000 1.227 496 N CA -0.275 52.866 53.050 0.151 0.000 0.963 496 N CB 0.394 39.010 38.487 0.214 0.000 1.188 496 N HN 0.027 nan 8.380 nan 0.000 0.491 497 N N 0.857 119.627 118.700 0.116 0.000 2.513 497 N HA -0.088 4.652 4.740 -0.001 0.000 0.268 497 N C -0.259 175.340 175.510 0.148 0.000 1.180 497 N CA 0.234 53.324 53.050 0.066 0.000 0.948 497 N CB 0.087 38.526 38.487 -0.079 0.000 1.083 497 N HN 0.450 nan 8.380 nan 0.000 0.455 498 N N 1.874 120.630 118.700 0.093 0.000 3.193 498 N HA -0.024 4.715 4.740 -0.001 0.000 0.312 498 N C -1.038 174.538 175.510 0.110 0.000 1.261 498 N CA -0.164 52.943 53.050 0.095 0.000 1.208 498 N CB -0.123 38.399 38.487 0.058 0.000 1.471 498 N HN 0.493 nan 8.380 nan 0.000 0.548 499 S N 0.313 116.126 115.700 0.188 0.000 2.537 499 S HA 0.196 4.665 4.470 -0.001 0.000 0.270 499 S C -0.953 173.835 174.600 0.313 0.000 1.142 499 S CA -1.124 57.202 58.200 0.209 0.000 0.870 499 S CB 1.428 64.733 63.200 0.174 0.000 1.112 499 S HN 0.245 nan 8.310 nan 0.000 0.466 500 N N 1.337 120.149 118.700 0.187 0.000 2.439 500 N HA 0.431 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 -0.845 52.260 53.050 0.091 0.000 0.940 500 N CB -0.314 38.200 38.487 0.044 0.000 1.180 500 N HN 0.677 nan 8.380 nan 0.000 0.505 501 F N 1.791 121.780 119.950 0.066 0.000 2.805 501 F HA 0.550 5.076 4.527 -0.001 0.000 0.317 501 F C -2.022 173.838 175.800 0.100 0.000 1.146 501 F CA -1.598 56.444 58.000 0.070 0.000 1.265 501 F CB 0.670 39.689 39.000 0.032 0.000 0.992 501 F HN 0.242 nan 8.300 nan 0.000 0.511 502 P HA -0.035 nan 4.420 nan 0.000 0.249 502 P C 0.617 178.064 177.300 0.244 0.000 1.241 502 P CA 1.005 64.109 63.100 0.007 0.000 0.781 502 P CB -0.093 31.586 31.700 -0.035 0.000 1.088 503 W N -0.520 120.805 121.300 0.042 0.000 3.900 503 W HA 0.028 4.687 4.660 -0.001 0.000 0.186 503 W C 0.503 177.062 176.519 0.066 0.000 1.082 503 W CA 0.664 58.034 57.345 0.042 0.000 1.537 503 W CB 0.018 29.483 29.460 0.008 0.000 0.639 503 W HN -0.108 nan 8.180 nan 0.000 0.912 504 T N -0.684 113.933 114.554 0.106 0.000 3.100 504 T HA 0.346 4.696 4.350 -0.001 0.000 0.253 504 T C 1.165 175.864 174.700 -0.001 0.000 1.118 504 T CA 0.953 63.055 62.100 0.003 0.000 1.058 504 T CB 0.365 69.305 68.868 0.120 0.000 0.953 504 T HN 0.084 nan 8.240 nan 0.000 0.515 505 A N 0.205 123.074 122.820 0.080 0.000 2.600 505 A HA 0.831 5.151 4.320 -0.001 0.000 0.252 505 A C 0.992 178.623 177.584 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 19.237 19.000 0.149 0.000 1.207 505 A HN 0.613 nan 8.150 nan 0.000 0.577 506 A N 0.295 123.159 122.820 0.074 0.000 2.302 506 A HA 0.630 4.949 4.320 -0.001 0.000 0.285 506 A C 0.364 177.980 177.584 0.054 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 1.391 117.169 115.700 0.130 0.000 2.510 507 S HA 0.380 4.850 4.470 -0.001 0.000 0.279 507 S C -0.009 174.716 174.600 0.208 0.000 1.284 507 S CA -0.161 58.132 58.200 0.156 0.000 1.059 507 S CB -0.000 63.321 63.200 0.202 0.000 0.901 507 S HN 0.635 nan 8.310 nan 0.000 0.491 508 K N 1.667 122.148 120.400 0.135 0.000 2.509 508 K HA 0.598 4.918 4.320 -0.001 0.000 0.266 508 K C -1.352 175.325 176.600 0.128 0.000 0.987 508 K CA -1.067 55.234 56.287 0.024 0.000 0.868 508 K CB 1.345 33.699 32.500 -0.244 0.000 1.421 508 K HN 0.563 nan 8.250 nan 0.000 0.444 509 Y N -1.515 118.817 120.300 0.053 0.000 2.630 509 Y HA 0.620 5.169 4.550 -0.001 0.000 0.337 509 Y C -0.689 175.286 175.900 0.125 0.000 1.051 509 Y CA -1.021 57.117 58.100 0.065 0.000 1.121 509 Y CB 1.533 39.981 38.460 -0.019 0.000 1.299 509 Y HN 0.750 nan 8.280 nan 0.000 0.498 510 H N 1.748 120.958 119.070 0.234 0.000 2.865 510 H HA 0.628 5.184 4.556 -0.001 0.000 0.362 510 H C -2.393 173.065 175.328 0.216 0.000 1.114 510 H CA -1.183 54.947 56.048 0.137 0.000 1.208 510 H CB 1.619 31.417 29.762 0.059 0.000 1.727 510 H HN 0.885 nan 8.280 nan 0.000 0.534 511 L N 3.496 124.763 121.223 0.072 0.000 2.385 511 L HA 0.236 4.576 4.340 -0.001 0.000 0.273 511 L C 0.544 177.465 176.870 0.085 0.000 0.990 511 L CA -0.850 53.990 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 2.375 121.108 118.700 0.056 0.000 2.741 512 N HA -0.185 4.555 4.740 -0.001 0.000 0.250 512 N C 0.697 176.306 175.510 0.166 0.000 1.115 512 N CA 1.331 54.442 53.050 0.101 0.000 0.724 512 N CB -0.614 37.928 38.487 0.091 0.000 1.090 512 N HN 1.123 nan 8.380 nan 0.000 0.558 513 G N -0.356 108.630 108.800 0.310 0.000 2.176 513 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.252 513 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.252 513 G C -0.146 174.901 174.900 0.244 0.000 1.024 513 G CA 0.525 45.816 45.100 0.319 0.000 0.755 513 G HN 0.722 nan 8.290 nan 0.000 0.507 514 R N 0.495 121.165 120.500 0.285 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 4.774 4.640 -0.001 0.000 0.247 515 D C -0.710 175.619 176.300 0.048 0.000 1.147 515 D CA 0.807 54.870 54.000 0.104 0.000 0.879 515 D CB 1.492 42.377 40.800 0.141 0.000 1.179 515 D HN 0.374 nan 8.370 nan 0.000 0.456 516 S N 1.524 117.061 115.700 -0.273 0.000 2.571 516 S HA 0.285 4.755 4.470 -0.001 0.000 0.284 516 S C -0.614 173.706 174.600 -0.467 0.000 1.128 516 S CA -0.760 57.203 58.200 -0.396 0.000 0.970 516 S CB 1.800 64.573 63.200 -0.711 0.000 1.039 516 S HN 0.293 nan 8.310 nan 0.000 0.485 517 L N 3.925 125.067 121.223 -0.134 0.000 2.418 517 L HA 0.337 4.677 4.340 -0.001 0.000 0.274 517 L C -0.357 176.473 176.870 -0.066 0.000 1.135 517 L CA 0.111 54.891 54.840 -0.100 0.000 0.870 517 L CB 0.532 42.573 42.059 -0.030 0.000 1.154 517 L HN 0.522 nan 8.230 nan 0.000 0.462 518 V N 6.895 126.841 119.914 0.054 0.000 2.242 518 V HA 0.024 4.143 4.120 -0.001 0.000 0.242 518 V C 1.241 177.423 176.094 0.148 0.000 1.240 518 V CA 0.027 62.444 62.300 0.194 0.000 1.211 518 V CB -0.696 31.283 31.823 0.260 0.000 1.338 518 V HN 0.918 nan 8.190 nan 0.000 0.499 519 N N 6.356 125.075 118.700 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 -0.242 177.137 177.300 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 32.575 31.700 0.108 0.000 1.762 521 G N 4.636 113.527 108.800 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 -2.250 172.689 174.900 0.066 0.000 1.421 521 G CA -1.198 43.962 45.100 0.100 0.000 1.059 521 G HN 0.216 nan 8.290 nan 0.000 0.535 522 P HA 0.204 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 0.357 4.677 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 0.364 52.459 52.037 0.097 0.000 0.827 523 A CB -0.974 18.112 19.000 0.143 0.000 1.098 523 A HN 0.421 nan 8.150 nan 0.000 0.515 524 M N 2.065 121.722 119.600 0.096 0.000 2.644 524 M HA 0.587 5.067 4.480 -0.001 0.000 0.304 524 M C 0.235 176.589 176.300 0.090 0.000 1.215 524 M CA -0.545 54.808 55.300 0.089 0.000 0.871 524 M CB 2.241 34.891 32.600 0.083 0.000 1.740 524 M HN 0.636 nan 8.290 nan 0.000 0.464 525 A N 0.895 123.757 122.820 0.070 0.000 2.425 525 A HA 0.355 4.674 4.320 -0.001 0.000 0.249 525 A C 0.784 178.413 177.584 0.075 0.000 1.084 525 A CA -0.258 51.809 52.037 0.051 0.000 0.781 525 A CB 0.262 19.264 19.000 0.004 0.000 1.019 525 A HN 0.924 nan 8.150 nan 0.000 0.490 526 S N 0.650 116.416 115.700 0.110 0.000 2.371 526 S HA -0.008 4.462 4.470 -0.001 0.000 0.224 526 S C 0.748 175.512 174.600 0.273 0.000 1.029 526 S CA 1.508 59.839 58.200 0.219 0.000 0.978 526 S CB -0.280 63.120 63.200 0.334 0.000 0.833 526 S HN 0.956 nan 8.310 nan 0.000 0.466 527 H N 0.278 119.416 119.070 0.114 0.000 3.016 527 H HA 0.507 5.063 4.556 -0.001 0.000 0.362 527 H C -1.035 174.344 175.328 0.085 0.000 1.233 527 H CA -1.211 54.907 56.048 0.116 0.000 1.124 527 H CB 0.947 30.806 29.762 0.162 0.000 1.850 527 H HN 0.130 nan 8.280 nan 0.000 0.549 528 K N 0.989 121.451 120.400 0.103 0.000 2.117 528 K HA 0.200 4.519 4.320 -0.001 0.000 0.240 528 K C -0.621 176.034 176.600 0.091 0.000 1.031 528 K CA -0.692 55.614 56.287 0.032 0.000 0.909 528 K CB 0.610 33.131 32.500 0.035 0.000 1.097 528 K HN 0.342 nan 8.250 nan 0.000 0.492 529 D N 1.083 121.515 120.400 0.054 0.000 2.443 529 D HA 0.007 4.647 4.640 -0.001 0.000 0.239 529 D C -0.409 175.963 176.300 0.120 0.000 1.136 529 D CA 0.907 54.955 54.000 0.081 0.000 0.879 529 D CB 0.225 41.051 40.800 0.043 0.000 1.195 529 D HN 0.602 nan 8.370 nan 0.000 0.443 530 D N 1.364 121.846 120.400 0.136 0.000 2.835 530 D HA -0.155 4.484 4.640 -0.001 0.000 0.230 530 D C 0.585 176.971 176.300 0.142 0.000 1.130 530 D CA 0.859 54.929 54.000 0.117 0.000 0.738 530 D CB -0.651 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 -0.546 119.773 120.200 0.198 0.000 3.555 531 E HA 0.086 4.435 4.350 -0.001 0.000 0.187 531 E C 0.440 177.063 176.600 0.039 0.000 1.267 531 E CA -0.145 56.370 56.400 0.192 0.000 1.353 531 E CB 0.343 30.243 29.700 0.334 0.000 2.031 531 E HN 0.049 nan 8.360 nan 0.000 0.522 532 E N 0.890 121.003 120.200 -0.146 0.000 2.586 532 E HA -0.257 4.093 4.350 -0.001 0.000 0.259 532 E C 0.262 176.675 176.600 -0.312 0.000 1.107 532 E CA 1.451 57.527 56.400 -0.540 0.000 0.754 532 E CB -1.135 28.457 29.700 -0.179 0.000 1.335 532 E HN 0.391 nan 8.360 nan 0.000 0.411 533 K N -1.821 118.436 120.400 -0.239 0.000 2.585 533 K HA 0.161 4.481 4.320 -0.001 0.000 0.210 533 K C 0.041 176.498 176.600 -0.240 0.000 1.504 533 K CA -0.160 55.969 56.287 -0.263 0.000 1.029 533 K CB 0.207 32.476 32.500 -0.384 0.000 1.332 533 K HN 0.032 nan 8.250 nan 0.000 0.569 534 F N 3.564 123.540 119.950 0.043 0.000 2.390 534 F HA 0.360 4.887 4.527 -0.001 0.000 0.361 534 F C -0.049 175.833 175.800 0.137 0.000 1.124 534 F CA -1.311 56.733 58.000 0.072 0.000 1.149 534 F CB 0.589 39.608 39.000 0.030 0.000 1.160 534 F HN 0.014 nan 8.300 nan 0.000 0.501 535 F N 3.161 123.206 119.950 0.158 0.000 2.470 535 F HA 0.826 5.353 4.527 -0.001 0.000 0.329 535 F C -3.007 172.862 175.800 0.115 0.000 1.072 535 F CA -3.623 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 0.108 nan 4.420 nan 0.000 0.271 536 P C -0.452 176.722 177.300 -0.209 0.000 1.218 536 P CA -0.426 62.614 63.100 -0.100 0.000 0.780 536 P CB 0.737 32.444 31.700 0.011 0.000 0.901 537 M N 4.988 124.408 119.600 -0.300 0.000 2.734 537 M HA -0.050 4.430 4.480 -0.001 0.000 0.356 537 M C 0.923 176.890 176.300 -0.555 0.000 1.790 537 M CA 0.720 55.830 55.300 -0.317 0.000 1.231 537 M CB -1.302 31.128 32.600 -0.284 0.000 2.102 537 M HN 0.559 nan 8.290 nan 0.000 0.463 538 H N 1.163 120.338 119.070 0.174 0.000 2.690 538 H HA -0.188 4.368 4.556 -0.001 0.000 0.309 538 H C 0.428 175.838 175.328 0.137 0.000 1.138 538 H CA 0.471 56.612 56.048 0.156 0.000 1.142 538 H CB -2.194 27.633 29.762 0.108 0.000 1.410 538 H HN 0.916 nan 8.280 nan 0.000 0.409 539 G N 0.916 109.781 108.800 0.109 0.000 3.262 539 G HA2 0.107 4.066 3.960 -0.001 0.000 0.228 539 G HA3 0.107 4.066 3.960 -0.001 0.000 0.228 539 G C 0.357 175.354 174.900 0.161 0.000 1.197 539 G CA 0.325 45.498 45.100 0.121 0.000 0.819 539 G HN 0.917 nan 8.290 nan 0.000 0.531 540 N N -1.198 117.600 118.700 0.164 0.000 3.322 540 N HA 0.111 4.851 4.740 -0.001 0.000 0.233 540 N C -1.730 173.796 175.510 0.027 0.000 1.399 540 N CA -0.843 52.276 53.050 0.115 0.000 0.894 540 N CB 0.827 39.387 38.487 0.123 0.000 1.440 540 N HN -0.188 nan 8.380 nan 0.000 0.503 541 L N 0.799 121.986 121.223 -0.061 0.000 2.367 541 L HA 0.442 4.782 4.340 -0.001 0.000 0.275 541 L C 0.060 176.664 176.870 -0.444 0.000 1.129 541 L CA 0.131 54.811 54.840 -0.267 0.000 0.839 541 L CB 0.145 42.001 42.059 -0.340 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 38.902 38.000 -0.186 0.000 1.289 542 I HN 0.308 nan 8.210 nan 0.000 0.441 543 F N 3.083 122.988 119.950 -0.074 0.000 2.422 543 F HA 0.579 5.106 4.527 -0.001 0.000 0.333 543 F C 1.070 176.837 175.800 -0.054 0.000 1.095 543 F CA -0.643 57.326 58.000 -0.052 0.000 1.038 543 F CB 1.656 40.627 39.000 -0.049 0.000 1.156 543 F HN 0.420 nan 8.300 nan 0.000 0.483 544 G N 2.744 111.633 108.800 0.148 0.000 2.353 544 G HA2 0.337 4.297 3.960 -0.001 0.000 0.284 544 G HA3 0.337 4.297 3.960 -0.001 0.000 0.284 544 G C -0.564 174.362 174.900 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 0.791 121.192 120.400 0.001 0.000 2.286 545 K HA 0.063 4.382 4.320 -0.001 0.000 0.256 545 K C 0.314 176.894 176.600 -0.034 0.000 0.999 545 K CA -0.176 56.090 56.287 -0.035 0.000 0.908 545 K CB 0.651 33.118 32.500 -0.054 0.000 0.981 545 K HN 0.517 nan 8.250 nan 0.000 0.500 546 E N 0.344 120.508 120.200 -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 1.086 57.457 56.400 -0.048 0.000 0.915 546 E CB 0.308 29.963 29.700 -0.075 0.000 0.951 546 E HN 0.636 nan 8.360 nan 0.000 0.449 547 G N 3.569 112.357 108.800 -0.019 0.000 2.540 547 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.260 547 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.260 547 G C -0.451 174.437 174.900 -0.019 0.000 0.993 547 G CA 0.253 45.343 45.100 -0.017 0.000 1.327 547 G HN 0.612 nan 8.290 nan 0.000 0.485 548 T N 1.204 115.750 114.554 -0.012 0.000 3.705 548 T HA 0.432 4.782 4.350 -0.001 0.000 0.342 548 T C 0.375 175.070 174.700 -0.009 0.000 1.043 548 T CA -0.104 61.987 62.100 -0.014 0.000 1.071 548 T CB 1.196 70.054 68.868 -0.016 0.000 1.124 548 T HN 0.637 nan 8.240 nan 0.000 0.467 549 T N 2.385 116.932 114.554 -0.011 0.000 2.906 549 T HA 0.211 4.561 4.350 -0.001 0.000 0.329 549 T C 1.633 176.326 174.700 -0.011 0.000 1.091 549 T CA 0.326 62.420 62.100 -0.010 0.000 1.127 549 T CB 0.458 69.318 68.868 -0.013 0.000 1.035 549 T HN 0.758 nan 8.240 nan 0.000 0.547 550 A N 1.963 124.777 122.820 -0.011 0.000 2.206 550 A HA 0.231 4.551 4.320 -0.001 0.000 0.211 550 A C 1.396 178.967 177.584 -0.022 0.000 1.158 550 A CA 0.237 52.266 52.037 -0.014 0.000 0.761 550 A CB 0.186 19.179 19.000 -0.012 0.000 0.801 550 A HN 0.563 nan 8.150 nan 0.000 0.473 551 S N 0.356 116.043 115.700 -0.022 0.000 2.498 551 S HA 0.410 4.879 4.470 -0.001 0.000 0.324 551 S C -0.444 174.141 174.600 -0.025 0.000 1.071 551 S CA -0.672 57.513 58.200 -0.026 0.000 1.113 551 S CB -0.435 62.749 63.200 -0.026 0.000 0.976 551 S HN 0.557 nan 8.310 nan 0.000 0.462 552 N N 2.243 120.927 118.700 -0.027 0.000 2.607 552 N HA -0.201 4.539 4.740 -0.001 0.000 0.285 552 N C -0.332 175.165 175.510 -0.022 0.000 1.151 552 N CA 0.535 53.571 53.050 -0.024 0.000 0.749 552 N CB -0.539 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 0.792 123.599 122.820 -0.022 0.000 2.252 553 A HA 0.578 4.897 4.320 -0.001 0.000 0.305 553 A C 0.467 178.037 177.584 -0.024 0.000 1.097 553 A CA -0.391 51.633 52.037 -0.022 0.000 0.849 553 A CB 0.768 19.754 19.000 -0.023 0.000 1.142 553 A HN 0.464 nan 8.150 nan 0.000 0.499 554 E N -0.715 119.470 120.200 -0.025 0.000 2.374 554 E HA 0.244 4.594 4.350 -0.001 0.000 0.260 554 E C 0.841 177.421 176.600 -0.034 0.000 1.101 554 E CA -0.267 56.117 56.400 -0.026 0.000 0.907 554 E CB 0.699 30.384 29.700 -0.025 0.000 1.014 554 E HN 0.513 nan 8.360 nan 0.000 0.427 555 L N 2.077 123.280 121.223 -0.034 0.000 2.191 555 L HA -0.066 4.274 4.340 -0.001 0.000 0.212 555 L C 0.687 177.521 176.870 -0.060 0.000 1.103 555 L CA 1.806 56.616 54.840 -0.050 0.000 0.769 555 L CB -0.095 41.940 42.059 -0.040 0.000 0.908 555 L HN 0.521 nan 8.230 nan 0.000 0.438 556 D N -0.700 119.671 120.400 -0.048 0.000 2.328 556 D HA -0.003 4.636 4.640 -0.001 0.000 0.226 556 D C 0.815 177.086 176.300 -0.048 0.000 1.066 556 D CA 0.275 54.245 54.000 -0.049 0.000 0.861 556 D CB -0.018 40.758 40.800 -0.041 0.000 0.912 556 D HN 0.374 nan 8.370 nan 0.000 0.521 557 N N 0.042 118.714 118.700 -0.047 0.000 2.184 557 N HA 0.037 4.776 4.740 -0.001 0.000 0.206 557 N C -0.015 175.470 175.510 -0.041 0.000 1.151 557 N CA 0.057 53.081 53.050 -0.042 0.000 0.878 557 N CB 1.669 40.135 38.487 -0.035 0.000 1.014 557 N HN 0.072 nan 8.380 nan 0.000 0.512 558 V N -2.180 117.703 119.914 -0.051 0.000 3.074 558 V HA 0.660 4.780 4.120 -0.001 0.000 0.314 558 V C -0.411 175.649 176.094 -0.057 0.000 1.117 558 V CA -0.985 61.286 62.300 -0.049 0.000 1.014 558 V CB 2.512 34.296 31.823 -0.066 0.000 1.057 558 V HN -0.181 nan 8.190 nan 0.000 0.438 559 M N 3.278 122.861 119.600 -0.028 0.000 2.043 559 M HA 0.583 5.063 4.480 -0.001 0.000 0.322 559 M C -0.999 175.271 176.300 -0.050 0.000 0.962 559 M CA -0.146 55.144 55.300 -0.017 0.000 0.927 559 M CB 1.533 34.163 32.600 0.051 0.000 1.466 559 M HN 0.561 nan 8.290 nan 0.000 0.412 560 I N 2.604 123.101 120.570 -0.122 0.000 2.365 560 I HA 0.325 4.495 4.170 -0.001 0.000 0.291 560 I C 0.631 176.690 176.117 -0.097 0.000 1.004 560 I CA -0.661 60.535 61.300 -0.174 0.000 1.311 560 I CB 1.456 39.249 38.000 -0.345 0.000 1.401 560 I HN 0.597 nan 8.210 nan 0.000 0.491 561 T N 0.518 115.015 114.554 -0.094 0.000 2.806 561 T HA 0.279 4.629 4.350 -0.001 0.000 0.290 561 T C -0.489 174.254 174.700 0.071 0.000 0.966 561 T CA -0.839 61.223 62.100 -0.064 0.000 1.060 561 T CB 1.610 70.312 68.868 -0.276 0.000 0.927 561 T HN 0.409 nan 8.240 nan 0.000 0.485 562 D N 1.941 122.430 120.400 0.149 0.000 2.329 562 D HA 0.183 4.822 4.640 -0.001 0.000 0.232 562 D C -0.121 176.327 176.300 0.246 0.000 1.088 562 D CA -0.509 53.621 54.000 0.216 0.000 0.835 562 D CB 0.913 41.849 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 -0.249 119.996 120.200 0.075 0.000 2.569 564 E HA 0.127 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 0.302 29.960 29.700 -0.070 0.000 1.060 564 E HN -0.035 nan 8.360 nan 0.000 0.460 565 E N 0.737 120.935 120.200 -0.004 0.000 2.431 565 E HA 0.136 4.485 4.350 -0.001 0.000 0.200 565 E C 1.480 178.070 176.600 -0.016 0.000 0.995 565 E CA 0.237 56.619 56.400 -0.029 0.000 0.915 565 E CB 0.311 29.975 29.700 -0.060 0.000 0.930 565 E HN 0.555 nan 8.360 nan 0.000 0.496 566 I N -1.982 118.592 120.570 0.006 0.000 3.858 566 I HA 0.290 4.460 4.170 -0.001 0.000 0.325 566 I C 1.031 177.171 176.117 0.039 0.000 1.403 566 I CA -0.185 61.137 61.300 0.036 0.000 1.169 566 I CB 0.184 38.214 38.000 0.050 0.000 1.077 566 I HN -0.134 nan 8.210 nan 0.000 0.403 567 R N 1.414 121.921 120.500 0.012 0.000 2.152 567 R HA -0.089 4.251 4.340 -0.001 0.000 0.232 567 R C 2.185 178.490 176.300 0.009 0.000 1.117 567 R CA 1.990 58.087 56.100 -0.004 0.000 0.981 567 R CB -0.370 29.910 30.300 -0.033 0.000 0.870 567 R HN 0.648 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 -0.009 4.340 4.350 -0.001 0.000 0.257 568 T C 1.709 176.399 174.700 -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 69.095 68.868 0.017 0.000 0.925 568 T HN 0.304 nan 8.240 nan 0.000 0.498 569 T N -1.901 112.661 114.554 0.014 0.000 2.955 569 T HA 0.317 4.667 4.350 -0.001 0.000 0.251 569 T C 0.358 175.112 174.700 0.089 0.000 1.002 569 T CA -0.539 61.573 62.100 0.019 0.000 0.970 569 T CB -0.269 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 2.198 120.949 118.700 0.085 0.000 2.319 570 N HA 0.573 5.313 4.740 -0.001 0.000 0.305 570 N C -3.132 172.422 175.510 0.074 0.000 1.103 570 N CA -2.017 51.096 53.050 0.105 0.000 0.815 570 N CB 2.020 40.574 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 -0.378 62.768 63.100 0.077 0.000 0.784 571 P CB 0.617 32.422 31.700 0.174 0.000 0.923 572 V N 1.971 121.907 119.914 0.037 0.000 2.572 572 V HA 0.114 4.233 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 0.534 62.854 62.300 0.033 0.000 1.055 572 V CB -0.040 31.792 31.823 0.014 0.000 0.969 572 V HN 0.721 nan 8.190 nan 0.000 0.482 573 A N 4.256 127.106 122.820 0.051 0.000 1.908 573 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 573 A C 2.255 179.845 177.584 0.009 0.000 1.181 573 A CA 2.399 54.463 52.037 0.045 0.000 0.627 573 A CB -0.694 18.341 19.000 0.060 0.000 0.818 573 A HN 1.016 nan 8.150 nan 0.000 0.445 574 T N -2.691 111.862 114.554 -0.002 0.000 3.009 574 T HA 0.072 4.422 4.350 -0.001 0.000 0.258 574 T C 0.814 175.484 174.700 -0.051 0.000 1.063 574 T CA 0.395 62.470 62.100 -0.041 0.000 1.139 574 T CB -0.206 68.630 68.868 -0.054 0.000 0.890 574 T HN 0.392 nan 8.240 nan 0.000 0.471 575 E N 2.374 122.555 120.200 -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 0.475 30.158 29.700 -0.028 0.000 1.024 575 E HN 0.769 nan 8.360 nan 0.000 0.481 576 Q N -0.348 119.443 119.800 -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 -0.038 55.774 55.803 0.015 0.000 1.196 576 Q CB 0.116 28.854 28.738 -0.000 0.000 1.240 576 Q HN 0.610 nan 8.270 nan 0.000 0.651 577 Y N -1.537 118.740 120.300 -0.038 0.000 2.539 577 Y HA 0.429 4.979 4.550 -0.001 0.000 0.284 577 Y C 0.537 176.425 175.900 -0.020 0.000 1.134 577 Y CA 1.083 59.167 58.100 -0.026 0.000 1.251 577 Y CB 1.218 39.661 38.460 -0.027 0.000 1.260 577 Y HN 0.865 nan 8.280 nan 0.000 0.528 578 G N -0.985 107.826 108.800 0.018 0.000 2.399 578 G HA2 0.306 4.266 3.960 -0.001 0.000 0.256 578 G HA3 0.306 4.266 3.960 -0.001 0.000 0.256 578 G C -1.431 173.477 174.900 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 0.088 114.645 114.554 0.004 0.000 2.829 579 T HA 0.678 5.027 4.350 -0.001 0.000 0.280 579 T C -0.662 174.055 174.700 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 0.831 nan 8.240 nan 0.000 0.446 580 V N 1.680 121.611 119.914 0.028 0.000 2.789 580 V HA 0.804 4.924 4.120 -0.001 0.000 0.311 580 V C 0.112 176.216 176.094 0.017 0.000 1.073 580 V CA -1.304 61.013 62.300 0.029 0.000 0.921 580 V CB 1.825 33.669 31.823 0.035 0.000 1.009 580 V HN 1.089 nan 8.190 nan 0.000 0.426 581 A N 3.057 125.887 122.820 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 -0.250 118.453 118.700 0.004 0.000 3.322 583 N HA 0.146 4.886 4.740 -0.001 0.000 0.233 583 N C -1.740 173.773 175.510 0.005 0.000 1.399 583 N CA -0.580 52.472 53.050 0.004 0.000 0.894 583 N CB 0.601 39.089 38.487 0.002 0.000 1.440 583 N HN 0.049 nan 8.380 nan 0.000 0.503 584 L N 1.554 122.780 121.223 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 53.997 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 0.418 4.758 4.340 -0.001 0.000 0.282 585 Q C -0.000 176.001 176.000 0.003 0.000 1.050 585 Q CA -0.044 55.761 55.803 0.003 0.000 0.918 585 Q CB 1.177 29.917 28.738 0.003 0.000 1.266 585 Q HN 0.586 nan 8.270 nan 0.000 0.423 586 S N 0.127 115.828 115.700 0.000 0.000 2.694 586 S HA 0.339 4.809 4.470 -0.001 0.000 0.273 586 S C 0.407 175.006 174.600 -0.002 0.000 1.180 586 S CA -0.336 57.864 58.200 -0.000 0.000 0.864 586 S CB 0.068 63.269 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 1.291 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 1.218 119.917 118.700 -0.002 0.000 2.395 588 N HA 0.092 4.831 4.740 -0.001 0.000 0.175 588 N C -0.116 175.392 175.510 -0.003 0.000 1.029 588 N CA 0.756 53.805 53.050 -0.002 0.000 0.897 588 N CB 0.043 38.529 38.487 -0.002 0.000 0.991 588 N HN 0.386 nan 8.380 nan 0.000 0.441 589 T N 0.390 114.943 114.554 -0.002 0.000 2.841 589 T HA 0.619 4.969 4.350 -0.001 0.000 0.283 589 T C -0.466 174.233 174.700 -0.003 0.000 1.000 589 T CA -0.746 61.353 62.100 -0.002 0.000 0.977 589 T CB 2.462 71.329 68.868 -0.001 0.000 0.979 589 T HN 0.090 nan 8.240 nan 0.000 0.446 590 A N 4.735 127.553 122.820 -0.003 0.000 2.331 590 A HA 0.673 4.993 4.320 -0.001 0.000 0.283 590 A C -2.241 175.341 177.584 -0.003 0.000 1.142 590 A CA -1.665 50.370 52.037 -0.004 0.000 0.812 590 A CB -0.182 18.815 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 0.265 591 P C -0.390 176.909 177.300 -0.002 0.000 1.193 591 P CA 0.497 63.596 63.100 -0.001 0.000 0.765 591 P CB 0.417 32.117 31.700 -0.000 0.000 0.823 592 T N 2.246 116.799 114.554 -0.001 0.000 2.855 592 T HA 0.419 4.769 4.350 -0.001 0.000 0.281 592 T C 0.029 174.728 174.700 -0.001 0.000 1.007 592 T CA -0.280 61.819 62.100 -0.002 0.000 1.009 592 T CB 1.188 70.054 68.868 -0.003 0.000 0.983 592 T HN 0.232 nan 8.240 nan 0.000 0.455 593 T N 3.111 117.663 114.554 -0.003 0.000 2.856 593 T HA 0.557 4.907 4.350 -0.001 0.000 0.283 593 T C -0.479 174.219 174.700 -0.004 0.000 1.008 593 T CA -0.767 61.332 62.100 -0.002 0.000 0.997 593 T CB 1.088 69.954 68.868 -0.004 0.000 0.992 593 T HN 0.266 nan 8.240 nan 0.000 0.454 594 R N 2.134 122.634 120.500 -0.000 0.000 2.480 594 R HA 0.363 4.703 4.340 -0.001 0.000 0.306 594 R C -0.930 175.372 176.300 0.003 0.000 0.958 594 R CA -0.472 55.627 56.100 -0.002 0.000 0.861 594 R CB 1.380 31.679 30.300 -0.000 0.000 1.171 594 R HN 0.616 nan 8.270 nan 0.000 0.445 595 T N 3.675 118.226 114.554 -0.005 0.000 2.738 595 T HA 0.054 4.404 4.350 -0.001 0.000 0.293 595 T C 0.043 174.747 174.700 0.006 0.000 0.913 595 T CA -0.056 62.043 62.100 -0.001 0.000 1.103 595 T CB 0.542 69.400 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 0.222 4.341 4.120 -0.001 0.000 0.273 596 V C 0.570 176.683 176.094 0.032 0.000 1.045 596 V CA -0.159 62.167 62.300 0.043 0.000 0.976 596 V CB 0.441 32.328 31.823 0.106 0.000 0.993 596 V HN 0.805 nan 8.190 nan 0.000 0.475 597 N N 4.345 123.024 118.700 -0.035 0.000 2.294 597 N HA 0.158 4.897 4.740 -0.001 0.000 0.186 597 N C -0.427 175.003 175.510 -0.133 0.000 1.107 597 N CA 0.186 53.190 53.050 -0.076 0.000 0.884 597 N CB 0.600 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 0.589 120.908 120.400 -0.135 0.000 2.855 598 D HA 0.195 4.834 4.640 -0.001 0.000 0.241 598 D C -1.510 174.676 176.300 -0.191 0.000 1.277 598 D CA -0.363 53.548 54.000 -0.148 0.000 0.918 598 D CB 1.421 42.156 40.800 -0.108 0.000 1.462 598 D HN -0.256 nan 8.370 nan 0.000 0.559 599 Q N 2.740 122.365 119.800 -0.292 0.000 2.309 599 Q HA 0.652 4.992 4.340 -0.001 0.000 0.270 599 Q C 0.101 175.922 176.000 -0.298 0.000 1.023 599 Q CA -0.740 54.816 55.803 -0.413 0.000 0.758 599 Q CB 1.633 29.786 28.738 -0.975 0.000 1.247 599 Q HN 0.525 nan 8.270 nan 0.000 0.455 600 G N 2.073 110.741 108.800 -0.219 0.000 2.479 600 G HA2 0.463 4.422 3.960 -0.001 0.000 0.275 600 G HA3 0.463 4.422 3.960 -0.001 0.000 0.275 600 G C -0.475 174.278 174.900 -0.244 0.000 1.421 600 G CA -0.091 44.876 45.100 -0.222 0.000 1.059 600 G HN 0.828 nan 8.290 nan 0.000 0.535 601 A N -1.511 121.155 122.820 -0.257 0.000 2.304 601 A HA 0.716 5.035 4.320 -0.001 0.000 0.271 601 A C -0.405 177.157 177.584 -0.037 0.000 1.091 601 A CA -0.219 51.705 52.037 -0.189 0.000 0.812 601 A CB 0.499 19.335 19.000 -0.274 0.000 1.056 601 A HN 0.575 nan 8.150 nan 0.000 0.489 602 L N 0.875 122.139 121.223 0.068 0.000 2.482 602 L HA 0.361 4.701 4.340 -0.001 0.000 0.263 602 L C -2.588 174.386 176.870 0.173 0.000 0.957 602 L CA -1.846 53.057 54.840 0.105 0.000 0.836 602 L CB 2.645 44.763 42.059 0.098 0.000 1.324 602 L HN 0.428 nan 8.230 nan 0.000 0.406 603 P HA 0.165 nan 4.420 nan 0.000 0.259 603 P C 0.671 178.078 177.300 0.179 0.000 1.211 603 P CA 0.684 63.882 63.100 0.163 0.000 0.810 603 P CB 0.455 32.223 31.700 0.113 0.000 0.815 604 G N 2.365 111.318 108.800 0.254 0.000 2.227 604 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.168 604 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.168 604 G C 0.132 175.266 174.900 0.391 0.000 1.006 604 G CA -0.604 44.693 45.100 0.330 0.000 0.684 604 G HN 0.398 nan 8.290 nan 0.000 0.489 605 M N 1.334 121.143 119.600 0.347 0.000 2.233 605 M HA 0.522 5.001 4.480 -0.001 0.000 0.350 605 M C 0.470 177.002 176.300 0.386 0.000 1.176 605 M CA -0.213 55.316 55.300 0.380 0.000 1.150 605 M CB 1.543 34.380 32.600 0.395 0.000 1.530 605 M HN 0.481 nan 8.290 nan 0.000 0.459 606 V N 0.852 120.951 119.914 0.307 0.000 2.686 606 V HA 0.835 4.954 4.120 -0.001 0.000 0.306 606 V C -1.610 174.605 176.094 0.203 0.000 1.065 606 V CA -0.680 61.667 62.300 0.077 0.000 0.894 606 V CB 1.207 32.939 31.823 -0.151 0.000 1.004 606 V HN 1.076 nan 8.190 nan 0.000 0.424 607 W N 2.456 123.733 121.300 -0.038 0.000 3.029 607 W HA 0.886 5.546 4.660 -0.001 0.000 0.339 607 W C -1.017 175.481 176.519 -0.034 0.000 1.198 607 W CA -1.064 56.263 57.345 -0.031 0.000 1.148 607 W CB 1.774 31.222 29.460 -0.020 0.000 1.451 607 W HN 0.685 nan 8.180 nan 0.000 0.564 608 Q N 1.967 121.872 119.800 0.176 0.000 2.274 608 Q HA 0.308 4.648 4.340 -0.001 0.000 0.260 608 Q C -0.401 175.718 176.000 0.198 0.000 0.974 608 Q CA -0.264 55.585 55.803 0.076 0.000 0.876 608 Q CB 1.323 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 1.055 121.540 120.400 0.141 0.000 2.414 609 D HA 0.205 4.844 4.640 -0.001 0.000 0.259 609 D C 0.483 176.873 176.300 0.149 0.000 1.269 609 D CA -0.194 53.933 54.000 0.211 0.000 1.028 609 D CB 0.603 41.538 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 -0.267 176.141 176.300 0.181 0.000 0.931 610 R CA 0.080 56.284 56.100 0.173 0.000 1.218 610 R CB 0.026 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 -0.841 119.656 120.400 0.162 0.000 2.581 611 D HA 0.317 4.957 4.640 -0.001 0.000 0.232 611 D C -1.631 174.555 176.300 -0.189 0.000 1.143 611 D CA -0.557 53.459 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 0.161 119.830 119.914 -0.408 0.000 2.483 612 V HA 0.694 4.813 4.120 -0.001 0.000 0.295 612 V C -1.079 174.839 176.094 -0.293 0.000 1.035 612 V CA -0.489 61.659 62.300 -0.253 0.000 0.896 612 V CB 0.758 32.395 31.823 -0.310 0.000 0.986 612 V HN 0.439 nan 8.190 nan 0.000 0.447 613 Y N 2.722 123.130 120.300 0.179 0.000 2.549 613 Y HA 0.580 5.130 4.550 -0.001 0.000 0.339 613 Y C 0.857 176.586 175.900 -0.285 0.000 1.053 613 Y CA -1.077 57.079 58.100 0.093 0.000 1.105 613 Y CB 1.517 40.064 38.460 0.144 0.000 1.258 613 Y HN 0.587 nan 8.280 nan 0.000 0.478 614 L N 1.412 122.284 121.223 -0.585 0.000 2.151 614 L HA -0.244 4.096 4.340 -0.001 0.000 0.215 614 L C 1.711 178.361 176.870 -0.367 0.000 1.084 614 L CA 2.053 56.193 54.840 -1.166 0.000 0.764 614 L CB -0.437 41.007 42.059 -1.025 0.000 0.891 614 L HN 0.826 nan 8.230 nan 0.000 0.435 615 Q N -1.385 118.303 119.800 -0.188 0.000 2.179 615 Q HA 0.304 4.644 4.340 -0.001 0.000 0.213 615 Q C 0.663 176.683 176.000 0.032 0.000 0.833 615 Q CA 0.376 56.166 55.803 -0.021 0.000 0.990 615 Q CB -0.304 28.281 28.738 -0.255 0.000 1.132 615 Q HN 0.364 nan 8.270 nan 0.000 0.493 616 G N 2.281 111.237 108.800 0.259 0.000 2.547 616 G HA2 0.477 4.437 3.960 -0.001 0.000 0.291 616 G HA3 0.477 4.437 3.960 -0.001 0.000 0.291 616 G C -2.716 172.376 174.900 0.320 0.000 1.211 616 G CA -1.251 44.141 45.100 0.486 0.000 0.950 616 G HN 0.059 nan 8.290 nan 0.000 0.504 617 P HA 0.183 nan 4.420 nan 0.000 0.270 617 P C 0.434 177.701 177.300 -0.055 0.000 1.223 617 P CA -0.151 62.951 63.100 0.003 0.000 0.785 617 P CB 1.010 32.722 31.700 0.020 0.000 0.923 618 I N -1.043 119.355 120.570 -0.286 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 0.555 61.748 61.300 -0.178 0.000 1.457 618 I CB -0.296 37.645 38.000 -0.099 0.000 1.285 618 I HN 0.445 nan 8.210 nan 0.000 0.459 619 W N 1.051 122.470 121.300 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 56.280 57.345 0.254 0.000 1.011 619 W CB 0.821 30.471 29.460 0.317 0.000 1.511 619 W HN -0.069 nan 8.180 nan 0.000 0.606 620 A N 1.326 124.427 122.820 0.469 0.000 2.555 620 A HA 0.449 4.769 4.320 -0.001 0.000 0.297 620 A C -1.554 176.176 177.584 0.243 0.000 1.060 620 A CA -1.091 51.120 52.037 0.289 0.000 0.710 620 A CB 1.469 20.564 19.000 0.160 0.000 1.282 620 A HN 0.699 nan 8.150 nan 0.000 0.399 621 K N 3.545 124.036 120.400 0.152 0.000 2.315 621 K HA 0.365 4.685 4.320 -0.001 0.000 0.291 621 K C -0.481 176.068 176.600 -0.084 0.000 1.074 621 K CA -0.273 55.943 56.287 -0.118 0.000 0.936 621 K CB -0.238 31.974 32.500 -0.480 0.000 1.049 621 K HN 0.616 nan 8.250 nan 0.000 0.471 622 I N 7.575 128.070 120.570 -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 37.923 38.000 -0.291 0.000 1.377 622 I HN 0.473 nan 8.210 nan 0.000 0.556 623 P HA -0.094 nan 4.420 nan 0.000 0.265 623 P C -0.541 176.821 177.300 0.103 0.000 1.187 623 P CA 0.165 63.293 63.100 0.046 0.000 0.766 623 P CB 0.282 32.036 31.700 0.090 0.000 0.820 624 H N 1.785 120.874 119.070 0.032 0.000 2.982 624 H HA 0.270 4.826 4.556 -0.001 0.000 0.261 624 H C 0.250 175.634 175.328 0.092 0.000 1.603 624 H CA 0.011 56.096 56.048 0.060 0.000 1.398 624 H CB -0.544 29.219 29.762 0.001 0.000 1.693 624 H HN 0.322 nan 8.280 nan 0.000 0.535 625 T N -0.672 113.893 114.554 0.018 0.000 2.870 625 T HA 0.148 4.498 4.350 -0.001 0.000 0.277 625 T C 1.004 175.560 174.700 -0.240 0.000 1.000 625 T CA -0.900 61.161 62.100 -0.066 0.000 0.982 625 T CB 1.172 70.018 68.868 -0.037 0.000 1.249 625 T HN 0.232 nan 8.240 nan 0.000 0.589 626 D N 0.417 120.704 120.400 -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 1.097 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 -0.642 107.893 108.800 -0.443 0.000 2.746 627 G HA2 0.496 4.455 3.960 -0.001 0.000 0.297 627 G HA3 0.496 4.455 3.960 -0.001 0.000 0.297 627 G C -1.340 173.204 174.900 -0.594 0.000 1.426 627 G CA -0.688 44.125 45.100 -0.479 0.000 0.989 627 G HN 0.027 nan 8.290 nan 0.000 0.520 628 H N 1.321 120.404 119.070 0.021 0.000 2.928 628 H HA 0.512 5.067 4.556 -0.001 0.000 0.371 628 H C -0.428 174.979 175.328 0.133 0.000 1.186 628 H CA -0.685 55.397 56.048 0.057 0.000 1.134 628 H CB 2.525 32.295 29.762 0.013 0.000 1.824 628 H HN 0.409 nan 8.280 nan 0.000 0.554 629 F N 0.850 120.892 119.950 0.154 0.000 2.324 629 F HA 0.092 4.619 4.527 -0.001 0.000 0.260 629 F C 0.832 176.768 175.800 0.227 0.000 1.073 629 F CA 0.692 58.782 58.000 0.150 0.000 1.073 629 F CB 0.344 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 1.956 121.039 119.070 0.021 0.000 2.439 630 H HA 0.345 4.901 4.556 -0.001 0.000 0.239 630 H C -2.385 173.026 175.328 0.138 0.000 1.432 630 H CA -2.149 53.891 56.048 -0.014 0.000 1.373 630 H CB 0.236 30.110 29.762 0.186 0.000 1.463 630 H HN 0.068 nan 8.280 nan 0.000 0.530 631 P HA -0.009 nan 4.420 nan 0.000 0.235 631 P C -0.380 176.916 177.300 -0.007 0.000 1.670 631 P CA 0.322 63.415 63.100 -0.012 0.000 1.017 631 P CB -0.336 31.288 31.700 -0.127 0.000 1.945 632 S N 1.903 117.667 115.700 0.108 0.000 2.437 632 S HA 0.502 4.972 4.470 -0.001 0.000 0.305 632 S C -2.498 172.193 174.600 0.152 0.000 1.109 632 S CA -2.107 56.180 58.200 0.146 0.000 1.099 632 S CB 0.270 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 0.721 178.092 177.300 0.120 0.000 1.172 633 P CA 0.205 63.373 63.100 0.113 0.000 0.762 633 P CB 0.281 32.048 31.700 0.112 0.000 0.764 634 L N 2.442 123.729 121.223 0.107 0.000 2.127 634 L HA -0.167 4.173 4.340 -0.001 0.000 0.211 634 L C 2.066 179.003 176.870 0.112 0.000 1.089 634 L CA 1.569 56.473 54.840 0.107 0.000 0.757 634 L CB -0.416 41.692 42.059 0.082 0.000 0.899 634 L HN 0.489 nan 8.230 nan 0.000 0.434 635 M N -0.859 118.803 119.600 0.103 0.000 2.619 635 M HA 0.140 4.619 4.480 -0.001 0.000 0.251 635 M C 0.727 177.113 176.300 0.144 0.000 1.106 635 M CA 0.504 55.869 55.300 0.109 0.000 1.086 635 M CB -0.021 32.627 32.600 0.080 0.000 1.465 635 M HN 0.336 nan 8.290 nan 0.000 0.506 636 G N -0.140 108.739 108.800 0.132 0.000 2.674 636 G HA2 0.291 4.250 3.960 -0.001 0.000 0.686 636 G HA3 0.291 4.250 3.960 -0.001 0.000 0.686 636 G C -0.366 174.579 174.900 0.075 0.000 1.195 636 G CA -0.628 44.544 45.100 0.119 0.000 0.776 636 G HN 0.733 nan 8.290 nan 0.000 0.654 637 G N -0.549 108.226 108.800 -0.042 0.000 2.297 637 G HA2 0.451 4.411 3.960 -0.001 0.000 0.209 637 G HA3 0.451 4.411 3.960 -0.001 0.000 0.209 637 G C -0.650 174.078 174.900 -0.286 0.000 1.267 637 G CA -0.080 44.906 45.100 -0.190 0.000 1.127 637 G HN 1.625 nan 8.290 nan 0.000 0.498 638 F N 1.965 122.055 119.950 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 0.070 58.181 58.000 0.185 0.000 1.056 638 F CB 2.015 41.115 39.000 0.166 0.000 1.155 638 F HN 0.712 nan 8.300 nan 0.000 0.461 639 G N 5.179 114.134 108.800 0.258 0.000 2.360 639 G HA2 0.515 4.475 3.960 -0.001 0.000 0.279 639 G HA3 0.515 4.475 3.960 -0.001 0.000 0.279 639 G C -0.821 174.149 174.900 0.117 0.000 1.189 639 G CA -0.416 44.775 45.100 0.151 0.000 0.941 639 G HN 0.580 nan 8.290 nan 0.000 0.445 640 L N 3.120 124.403 121.223 0.101 0.000 2.356 640 L HA 0.359 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 -1.113 53.749 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 1.040 121.315 120.400 -0.208 0.000 2.026 641 K HA -0.034 4.285 4.320 -0.001 0.000 0.208 641 K C 0.323 176.467 176.600 -0.759 0.000 1.048 641 K CA 1.351 57.356 56.287 -0.469 0.000 0.929 641 K CB 0.044 32.267 32.500 -0.462 0.000 0.713 641 K HN 0.540 nan 8.250 nan 0.000 0.439 642 H N 0.580 119.525 119.070 -0.208 0.000 2.645 642 H HA 0.312 4.867 4.556 -0.001 0.000 0.257 642 H C -2.414 172.915 175.328 0.002 0.000 1.269 642 H CA -2.229 53.668 56.048 -0.253 0.000 1.409 642 H CB 1.154 30.914 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 0.268 31.894 31.700 -0.124 0.000 1.092 644 P HA -0.031 nan 4.420 nan 0.000 0.251 644 P C -2.007 175.097 177.300 -0.327 0.000 1.154 644 P CA -0.083 62.317 63.100 -1.166 0.000 0.805 644 P CB -1.279 29.735 31.700 -1.144 0.000 0.759 645 P HA -0.073 nan 4.420 nan 0.000 0.270 645 P C -0.306 176.863 177.300 -0.218 0.000 1.221 645 P CA 0.291 63.285 63.100 -0.176 0.000 0.788 645 P CB 0.656 32.128 31.700 -0.380 0.000 0.904 646 Q N 0.503 120.146 119.800 -0.261 0.000 2.286 646 Q HA 0.343 4.683 4.340 -0.001 0.000 0.257 646 Q C -0.457 175.203 176.000 -0.568 0.000 0.941 646 Q CA -0.386 55.175 55.803 -0.404 0.000 0.912 646 Q CB 0.291 28.742 28.738 -0.478 0.000 1.192 646 Q HN 0.314 nan 8.270 nan 0.000 0.410 647 I N 3.113 123.383 120.570 -0.500 0.000 2.307 647 I HA 0.198 4.368 4.170 -0.001 0.000 0.289 647 I C -0.417 175.454 176.117 -0.410 0.000 1.021 647 I CA -0.146 60.812 61.300 -0.569 0.000 1.224 647 I CB 0.801 38.399 38.000 -0.671 0.000 1.376 647 I HN 0.499 nan 8.210 nan 0.000 0.470 648 M N 6.645 125.837 119.600 -0.680 0.000 2.359 648 M HA 0.609 5.089 4.480 -0.001 0.000 0.322 648 M C -0.739 175.526 176.300 -0.058 0.000 1.166 648 M CA -0.356 54.661 55.300 -0.472 0.000 1.067 648 M CB 1.441 33.412 32.600 -1.048 0.000 1.523 648 M HN 0.494 nan 8.290 nan 0.000 0.467 649 I N 2.253 122.957 120.570 0.223 0.000 2.775 649 I HA 0.684 4.853 4.170 -0.001 0.000 0.295 649 I C -1.844 174.302 176.117 0.048 0.000 1.287 649 I CA -0.234 61.148 61.300 0.138 0.000 1.029 649 I CB 1.694 39.656 38.000 -0.064 0.000 1.282 649 I HN 0.683 nan 8.210 nan 0.000 0.426 650 K N 3.459 123.737 120.400 -0.204 0.000 2.598 650 K HA 0.548 4.868 4.320 -0.001 0.000 0.271 650 K C -2.010 174.413 176.600 -0.295 0.000 0.947 650 K CA -0.698 55.337 56.287 -0.420 0.000 0.854 650 K CB 0.610 32.428 32.500 -1.137 0.000 1.401 650 K HN 0.327 nan 8.250 nan 0.000 0.415 651 N N 1.191 119.784 118.700 -0.179 0.000 2.442 651 N HA 0.177 4.916 4.740 -0.001 0.000 0.265 651 N C -0.869 174.564 175.510 -0.127 0.000 1.138 651 N CA -0.315 52.681 53.050 -0.090 0.000 0.956 651 N CB 1.083 39.565 38.487 -0.009 0.000 1.067 651 N HN 0.655 nan 8.380 nan 0.000 0.474 652 T N 4.070 118.551 114.554 -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 -0.594 61.416 62.100 -0.151 0.000 1.168 652 T CB 0.073 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 -0.820 176.260 177.300 -0.368 0.000 1.195 653 P CA -0.143 62.493 63.100 -0.773 0.000 0.762 653 P CB 0.380 31.419 31.700 -1.101 0.000 0.799 654 V N 7.250 127.047 119.914 -0.194 0.000 2.334 654 V HA 0.266 4.386 4.120 -0.001 0.000 0.281 654 V C -2.110 174.114 176.094 0.217 0.000 1.016 654 V CA -2.158 60.148 62.300 0.011 0.000 0.832 654 V CB 1.457 33.296 31.823 0.027 0.000 0.999 654 V HN 0.454 nan 8.190 nan 0.000 0.439 655 P HA 0.138 nan 4.420 nan 0.000 0.263 655 P C 0.238 177.629 177.300 0.151 0.000 1.195 655 P CA 0.458 63.627 63.100 0.114 0.000 0.762 655 P CB 0.686 32.201 31.700 -0.309 0.000 0.799 656 A N 4.369 127.320 122.820 0.218 0.000 2.404 656 A HA 0.035 4.355 4.320 -0.001 0.000 0.258 656 A C 0.725 178.402 177.584 0.155 0.000 1.644 656 A CA -0.055 52.075 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 0.806 119.569 118.700 0.105 0.000 2.470 657 N HA 0.299 5.038 4.740 -0.001 0.000 0.268 657 N C -2.604 172.975 175.510 0.115 0.000 1.136 657 N CA -0.883 52.222 53.050 0.091 0.000 0.961 657 N CB 0.308 38.824 38.487 0.048 0.000 1.067 657 N HN 0.236 nan 8.380 nan 0.000 0.468 658 P HA 0.487 nan 4.420 nan 0.000 0.287 658 P C -2.632 174.714 177.300 0.077 0.000 1.270 658 P CA -1.252 61.950 63.100 0.169 0.000 0.844 658 P CB 0.288 32.120 31.700 0.221 0.000 1.068 659 P HA 0.230 nan 4.420 nan 0.000 0.277 659 P C 0.530 177.861 177.300 0.052 0.000 1.240 659 P CA -0.204 62.910 63.100 0.023 0.000 0.798 659 P CB 0.335 32.026 31.700 -0.015 0.000 0.979 660 T N -1.231 113.349 114.554 0.042 0.000 3.035 660 T HA -0.028 4.322 4.350 -0.001 0.000 0.268 660 T C 0.911 175.652 174.700 0.068 0.000 1.109 660 T CA 1.242 63.373 62.100 0.052 0.000 1.119 660 T CB -0.204 68.687 68.868 0.037 0.000 0.900 660 T HN 0.477 nan 8.240 nan 0.000 0.503 661 T N 1.030 115.622 114.554 0.063 0.000 2.867 661 T HA 0.486 4.835 4.350 -0.001 0.000 0.282 661 T C -0.740 174.034 174.700 0.123 0.000 1.000 661 T CA -0.972 61.181 62.100 0.087 0.000 1.042 661 T CB 0.256 69.155 68.868 0.051 0.000 0.973 661 T HN 0.132 nan 8.240 nan 0.000 0.465 662 F N 4.252 124.215 119.950 0.021 0.000 2.484 662 F HA 0.495 5.021 4.527 -0.001 0.000 0.360 662 F C 0.330 176.144 175.800 0.023 0.000 1.101 662 F CA -0.048 57.969 58.000 0.029 0.000 1.251 662 F CB 0.643 39.661 39.000 0.029 0.000 1.132 662 F HN 0.448 nan 8.300 nan 0.000 0.570 663 S N 6.925 122.119 115.700 -0.843 0.000 2.605 663 S HA 0.510 4.979 4.470 -0.001 0.000 0.308 663 S C -1.905 172.141 174.600 -0.924 0.000 1.113 663 S CA -1.282 56.499 58.200 -0.699 0.000 1.049 663 S CB 1.409 64.407 63.200 -0.337 0.000 1.001 663 S HN 0.532 nan 8.310 nan 0.000 0.480 664 P HA 0.224 nan 4.420 nan 0.000 0.236 664 P C 0.167 177.374 177.300 -0.154 0.000 1.177 664 P CA 0.149 63.050 63.100 -0.332 0.000 0.773 664 P CB -0.041 31.591 31.700 -0.113 0.000 0.878 665 A N 0.907 123.625 122.820 -0.170 0.000 2.531 665 A HA 0.028 4.348 4.320 -0.001 0.000 0.236 665 A C 0.579 178.131 177.584 -0.053 0.000 1.062 665 A CA -0.212 51.765 52.037 -0.100 0.000 0.760 665 A CB -0.303 18.621 19.000 -0.127 0.000 0.995 665 A HN 0.065 nan 8.150 nan 0.000 0.501 666 K N 1.659 122.061 120.400 0.003 0.000 2.524 666 K HA 0.017 4.337 4.320 -0.001 0.000 0.279 666 K C -0.826 175.808 176.600 0.057 0.000 0.993 666 K CA 0.234 56.565 56.287 0.075 0.000 1.030 666 K CB 0.057 32.613 32.500 0.093 0.000 0.891 666 K HN 0.497 nan 8.250 nan 0.000 0.488 667 F N 2.988 122.939 119.950 0.003 0.000 2.456 667 F HA 0.245 4.771 4.527 -0.001 0.000 0.358 667 F C 0.705 176.421 175.800 -0.142 0.000 1.095 667 F CA 0.762 58.702 58.000 -0.099 0.000 1.216 667 F CB 1.214 40.167 39.000 -0.078 0.000 1.125 667 F HN 0.681 nan 8.300 nan 0.000 0.549 668 A N 3.071 125.686 122.820 -0.341 0.000 2.704 668 A HA 0.181 4.500 4.320 -0.001 0.000 0.260 668 A C 0.129 177.475 177.584 -0.397 0.000 1.144 668 A CA 0.024 51.942 52.037 -0.199 0.000 0.985 668 A CB -0.123 18.862 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 0.712 5.182 4.470 -0.001 0.000 0.313 669 S C -0.950 173.454 174.600 -0.326 0.000 1.078 669 S CA -0.338 57.626 58.200 -0.394 0.000 1.115 669 S CB -0.544 62.446 63.200 -0.351 0.000 1.006 669 S HN 0.202 nan 8.310 nan 0.000 0.487 670 F N 3.050 123.128 119.950 0.213 0.000 2.556 670 F HA 0.571 5.098 4.527 -0.001 0.000 0.327 670 F C 0.440 176.328 175.800 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 40.319 39.000 0.208 0.000 1.227 670 F HN 0.282 nan 8.300 nan 0.000 0.478 671 I N 1.499 122.262 120.570 0.322 0.000 2.471 671 I HA 0.113 4.282 4.170 -0.001 0.000 0.286 671 I C 0.349 176.590 176.117 0.207 0.000 1.079 671 I CA -0.361 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 4.489 119.137 114.554 0.157 0.000 2.814 672 T HA 0.395 4.745 4.350 -0.001 0.000 0.297 672 T C -0.381 174.390 174.700 0.119 0.000 0.956 672 T CA -0.639 61.540 62.100 0.133 0.000 1.123 672 T CB 0.768 69.692 68.868 0.094 0.000 0.902 672 T HN 0.732 nan 8.240 nan 0.000 0.528 673 Q N 2.307 122.179 119.800 0.120 0.000 2.472 673 Q HA 0.563 4.903 4.340 -0.001 0.000 0.281 673 Q C -1.774 174.305 176.000 0.132 0.000 0.997 673 Q CA -1.355 54.506 55.803 0.096 0.000 0.828 673 Q CB 1.492 30.248 28.738 0.030 0.000 1.443 673 Q HN 0.863 nan 8.270 nan 0.000 0.390 674 Y N -1.141 119.150 120.300 -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 57.262 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 1.073 116.833 115.700 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 1.940 65.280 63.200 0.233 0.000 1.077 675 S HN 1.073 nan 8.310 nan 0.000 0.517 676 T N -0.452 114.007 114.554 -0.158 0.000 2.853 676 T HA 0.760 5.110 4.350 -0.001 0.000 0.311 676 T C -0.347 173.657 174.700 -1.159 0.000 1.307 676 T CA 0.269 61.949 62.100 -0.699 0.000 1.019 676 T CB 1.059 69.721 68.868 -0.344 0.000 1.264 676 T HN 1.735 nan 8.240 nan 0.000 0.497 677 G N 1.798 109.449 108.800 -1.914 0.000 2.325 677 G HA2 0.494 4.453 3.960 -0.001 0.000 0.295 677 G HA3 0.494 4.453 3.960 -0.001 0.000 0.295 677 G C -2.091 172.013 174.900 -1.327 0.000 1.274 677 G CA -0.666 43.695 45.100 -1.232 0.000 0.857 677 G HN 0.768 nan 8.290 nan 0.000 0.499 678 Q N -1.352 118.046 119.800 -0.671 0.000 2.248 678 Q HA 0.757 5.097 4.340 -0.001 0.000 0.263 678 Q C -0.570 175.210 176.000 -0.366 0.000 1.007 678 Q CA -0.729 54.720 55.803 -0.590 0.000 0.877 678 Q CB 2.539 30.789 28.738 -0.813 0.000 1.315 678 Q HN 0.974 nan 8.270 nan 0.000 0.454 679 V N 0.204 120.029 119.914 -0.148 0.000 2.841 679 V HA 0.830 4.950 4.120 -0.001 0.000 0.310 679 V C -1.596 174.396 176.094 -0.171 0.000 1.090 679 V CA -0.317 61.873 62.300 -0.183 0.000 0.930 679 V CB 2.344 34.114 31.823 -0.087 0.000 1.014 679 V HN 0.692 nan 8.190 nan 0.000 0.425 680 S N 4.308 119.894 115.700 -0.189 0.000 2.557 680 S HA 0.817 5.287 4.470 -0.001 0.000 0.291 680 S C -1.478 172.953 174.600 -0.282 0.000 1.116 680 S CA -0.453 57.665 58.200 -0.137 0.000 0.992 680 S CB 1.596 64.835 63.200 0.064 0.000 1.028 680 S HN 0.879 nan 8.310 nan 0.000 0.484 681 V N 4.953 124.732 119.914 -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 -0.227 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 5.477 125.613 120.200 -0.107 0.000 2.151 682 E HA 0.651 5.001 4.350 -0.001 0.000 0.275 682 E C -1.424 175.126 176.600 -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 3.530 124.056 120.570 -0.075 0.000 2.498 683 I HA 0.270 4.439 4.170 -0.001 0.000 0.290 683 I C -0.218 175.768 176.117 -0.219 0.000 1.032 683 I CA -0.802 60.398 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 5.216 125.235 120.200 -0.302 0.000 2.231 684 E HA 0.373 4.722 4.350 -0.001 0.000 0.277 684 E C -1.935 174.425 176.600 -0.400 0.000 0.999 684 E CA -0.584 55.691 56.400 -0.207 0.000 0.827 684 E CB 1.304 30.932 29.700 -0.120 0.000 1.101 684 E HN 0.405 nan 8.360 nan 0.000 0.393 685 W N 2.733 124.023 121.300 -0.017 0.000 2.683 685 W HA 0.287 4.947 4.660 -0.001 0.000 0.329 685 W C -0.201 176.364 176.519 0.077 0.000 1.037 685 W CA -0.700 56.676 57.345 0.052 0.000 1.232 685 W CB 1.250 30.804 29.460 0.157 0.000 1.390 685 W HN 0.459 nan 8.180 nan 0.000 0.465 686 E N 3.254 123.602 120.200 0.248 0.000 2.331 686 E HA 0.473 4.822 4.350 -0.001 0.000 0.272 686 E C -0.900 175.978 176.600 0.464 0.000 1.036 686 E CA -0.283 56.272 56.400 0.258 0.000 0.864 686 E CB 0.823 30.598 29.700 0.126 0.000 1.035 686 E HN 0.461 nan 8.360 nan 0.000 0.408 687 L N 3.299 124.800 121.223 0.463 0.000 2.342 687 L HA 0.362 4.701 4.340 -0.001 0.000 0.271 687 L C -0.299 176.810 176.870 0.399 0.000 1.008 687 L CA -0.765 54.376 54.840 0.502 0.000 0.818 687 L CB 1.923 44.201 42.059 0.365 0.000 1.296 687 L HN 0.546 nan 8.230 nan 0.000 0.427 688 Q N 3.099 123.064 119.800 0.274 0.000 2.394 688 Q HA 0.251 4.591 4.340 -0.001 0.000 0.259 688 Q C -0.825 175.181 176.000 0.010 0.000 1.021 688 Q CA -0.786 54.980 55.803 -0.060 0.000 0.805 688 Q CB 1.167 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 -0.429 0.000 1.008 689 K CA -0.005 56.187 56.287 -0.159 0.000 0.910 689 K CB 0.658 33.075 32.500 -0.139 0.000 0.994 689 K HN 0.656 nan 8.250 nan 0.000 0.495 690 E N 1.984 121.817 120.200 -0.612 0.000 2.200 690 E HA 0.034 4.384 4.350 -0.001 0.000 0.283 690 E C -1.018 175.005 176.600 -0.962 0.000 1.015 690 E CA -0.205 55.414 56.400 -1.301 0.000 0.819 690 E CB 0.555 29.625 29.700 -1.050 0.000 1.081 690 E HN 0.356 nan 8.360 nan 0.000 0.397 691 N N 2.949 121.015 118.700 -1.057 0.000 2.762 691 N HA 0.115 4.855 4.740 -0.001 0.000 0.252 691 N C -1.840 173.568 175.510 -0.170 0.000 1.269 691 N CA -0.222 52.577 53.050 -0.419 0.000 0.799 691 N CB 0.968 39.318 38.487 -0.228 0.000 1.173 691 N HN 0.232 nan 8.380 nan 0.000 0.516 692 S N 1.100 116.709 115.700 -0.151 0.000 2.513 692 S HA 0.444 4.913 4.470 -0.001 0.000 0.299 692 S C 0.068 174.689 174.600 0.036 0.000 1.087 692 S CA -0.616 57.626 58.200 0.070 0.000 1.012 692 S CB 0.669 63.989 63.200 0.199 0.000 1.044 692 S HN 0.261 nan 8.310 nan 0.000 0.485 693 K N 2.366 122.814 120.400 0.079 0.000 2.493 693 K HA 0.156 4.475 4.320 -0.001 0.000 0.207 693 K C 0.270 176.945 176.600 0.125 0.000 1.033 693 K CA -0.263 56.075 56.287 0.084 0.000 1.161 693 K CB -0.135 32.416 32.500 0.085 0.000 0.873 693 K HN 0.555 nan 8.250 nan 0.000 0.491 694 R N 0.965 121.537 120.500 0.119 0.000 2.502 694 R HA -0.108 4.232 4.340 -0.001 0.000 0.292 694 R C 1.082 177.474 176.300 0.152 0.000 0.998 694 R CA 0.235 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 5.831 127.145 121.300 0.024 0.000 2.452 695 W HA -0.091 4.568 4.660 -0.001 0.000 0.313 695 W C -0.102 176.426 176.519 0.015 0.000 1.176 695 W CA 1.126 58.480 57.345 0.015 0.000 1.350 695 W CB -0.230 29.238 29.460 0.013 0.000 1.148 695 W HN 0.755 nan 8.180 nan 0.000 0.498 696 N N 2.063 120.886 118.700 0.204 0.000 2.444 696 N HA 0.090 4.829 4.740 -0.001 0.000 0.255 696 N C -2.700 172.813 175.510 0.006 0.000 1.255 696 N CA -1.051 52.050 53.050 0.086 0.000 0.933 696 N CB -0.612 37.973 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 -0.196 177.121 177.300 0.029 0.000 1.200 697 P CA 0.270 63.360 63.100 -0.016 0.000 0.772 697 P CB 0.553 32.242 31.700 -0.019 0.000 0.855 698 E N 1.349 121.575 120.200 0.042 0.000 2.292 698 E HA 0.366 4.716 4.350 -0.001 0.000 0.258 698 E C 0.289 176.942 176.600 0.088 0.000 1.115 698 E CA -0.994 55.453 56.400 0.078 0.000 0.929 698 E CB 0.808 30.574 29.700 0.110 0.000 1.161 698 E HN 0.439 nan 8.360 nan 0.000 0.453 699 I N -1.204 119.435 120.570 0.117 0.000 2.519 699 I HA 0.198 4.368 4.170 -0.001 0.000 0.287 699 I C -0.351 175.926 176.117 0.267 0.000 1.047 699 I CA -0.487 60.903 61.300 0.151 0.000 1.381 699 I CB 0.653 38.723 38.000 0.117 0.000 1.417 699 I HN 0.169 nan 8.210 nan 0.000 0.540 700 Q N 4.684 124.634 119.800 0.251 0.000 2.394 700 Q HA 0.303 4.643 4.340 -0.001 0.000 0.273 700 Q C -1.404 174.733 176.000 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 31.604 28.738 0.071 0.000 1.353 700 Q HN 0.791 nan 8.270 nan 0.000 0.438 701 Y N 0.999 121.190 120.300 -0.183 0.000 2.346 701 Y HA 0.294 4.844 4.550 -0.001 0.000 0.330 701 Y C -0.115 175.764 175.900 -0.035 0.000 1.178 701 Y CA 0.865 58.872 58.100 -0.155 0.000 1.331 701 Y CB 0.989 39.123 38.460 -0.543 0.000 1.253 701 Y HN 0.616 nan 8.280 nan 0.000 0.529 702 T N 3.631 117.779 114.554 -0.676 0.000 2.840 702 T HA 0.433 4.782 4.350 -0.001 0.000 0.317 702 T C -1.240 173.224 174.700 -0.394 0.000 1.401 702 T CA -0.753 61.150 62.100 -0.328 0.000 1.028 702 T CB 0.867 69.662 68.868 -0.122 0.000 1.317 702 T HN 0.613 nan 8.240 nan 0.000 0.495 703 S N 2.049 117.695 115.700 -0.090 0.000 2.586 703 S HA 0.377 4.847 4.470 -0.001 0.000 0.274 703 S C 0.104 174.730 174.600 0.044 0.000 1.281 703 S CA -0.630 57.576 58.200 0.009 0.000 1.035 703 S CB 0.183 63.447 63.200 0.106 0.000 0.962 703 S HN 0.713 nan 8.310 nan 0.000 0.512 704 N N 1.930 120.659 118.700 0.048 0.000 2.427 704 N HA 0.055 4.794 4.740 -0.001 0.000 0.269 704 N C 0.649 176.206 175.510 0.077 0.000 1.235 704 N CA -0.127 52.964 53.050 0.068 0.000 0.934 704 N CB 0.171 38.660 38.487 0.002 0.000 1.121 704 N HN 0.755 nan 8.380 nan 0.000 0.480 705 Y N 1.094 121.391 120.300 -0.004 0.000 2.639 705 Y HA 0.079 4.629 4.550 -0.001 0.000 0.297 705 Y C 0.061 175.964 175.900 0.004 0.000 1.151 705 Y CA -0.513 57.588 58.100 0.003 0.000 1.335 705 Y CB -0.159 38.301 38.460 0.000 0.000 0.994 705 Y HN 0.313 nan 8.280 nan 0.000 0.548 706 N N 2.535 120.873 118.700 -0.604 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 -0.230 0.000 1.271 706 N CA -0.201 52.525 53.050 -0.540 0.000 0.913 706 N CB 0.515 38.747 38.487 -0.425 0.000 1.129 706 N HN 0.317 nan 8.380 nan 0.000 0.444 707 K N 0.557 120.852 120.400 -0.175 0.000 2.453 707 K HA 0.002 4.322 4.320 -0.001 0.000 0.280 707 K C -0.303 176.250 176.600 -0.077 0.000 1.045 707 K CA 0.364 56.596 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 2.786 118.455 115.700 -0.052 0.000 2.599 708 S HA 0.328 4.798 4.470 -0.001 0.000 0.294 708 S C 0.844 175.424 174.600 -0.032 0.000 1.094 708 S CA -1.053 57.121 58.200 -0.043 0.000 0.931 708 S CB 1.581 64.759 63.200 -0.035 0.000 1.093 708 S HN 0.366 nan 8.310 nan 0.000 0.488 709 V N 3.234 123.127 119.914 -0.034 0.000 2.238 709 V HA -0.009 4.110 4.120 -0.001 0.000 0.235 709 V C 0.797 176.874 176.094 -0.029 0.000 1.037 709 V CA 1.486 63.767 62.300 -0.032 0.000 0.991 709 V CB -0.866 30.935 31.823 -0.038 0.000 0.638 709 V HN 0.837 nan 8.190 nan 0.000 0.457 710 N N -0.897 117.781 118.700 -0.036 0.000 2.472 710 N HA 0.477 5.216 4.740 -0.001 0.000 0.289 710 N C -1.030 174.464 175.510 -0.026 0.000 1.156 710 N CA -0.601 52.428 53.050 -0.036 0.000 0.940 710 N CB 1.970 40.422 38.487 -0.058 0.000 1.200 710 N HN 0.085 nan 8.380 nan 0.000 0.511 711 V N 1.383 121.291 119.914 -0.009 0.000 2.530 711 V HA 0.043 4.163 4.120 -0.001 0.000 0.282 711 V C -0.065 176.041 176.094 0.020 0.000 1.048 711 V CA -0.434 61.880 62.300 0.024 0.000 0.997 711 V CB 0.762 32.618 31.823 0.056 0.000 0.987 711 V HN 0.615 nan 8.190 nan 0.000 0.477 712 D N 4.658 125.093 120.400 0.058 0.000 2.531 712 D HA 0.104 4.743 4.640 -0.001 0.000 0.239 712 D C 0.110 176.534 176.300 0.206 0.000 1.144 712 D CA 0.684 54.718 54.000 0.057 0.000 0.869 712 D CB 0.011 40.936 40.800 0.208 0.000 1.160 712 D HN 0.484 nan 8.370 nan 0.000 0.484 713 F N 0.020 119.921 119.950 -0.082 0.000 2.563 713 F HA -0.266 4.261 4.527 -0.001 0.000 0.351 713 F C 0.314 176.095 175.800 -0.032 0.000 1.086 713 F CA 0.351 58.265 58.000 -0.143 0.000 1.174 713 F CB -1.736 37.304 39.000 0.065 0.000 1.590 713 F HN 0.166 nan 8.300 nan 0.000 0.808 714 T N -0.762 113.722 114.554 -0.117 0.000 2.786 714 T HA 0.607 4.957 4.350 -0.001 0.000 0.316 714 T C -0.174 174.456 174.700 -0.116 0.000 1.503 714 T CA -0.463 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 0.494 nan 8.240 nan 0.000 0.496 715 V N 0.357 120.210 119.914 -0.102 0.000 3.185 715 V HA 0.638 4.757 4.120 -0.001 0.000 0.305 715 V C 0.233 176.273 176.094 -0.091 0.000 1.090 715 V CA -0.374 61.841 62.300 -0.142 0.000 1.107 715 V CB 0.396 32.111 31.823 -0.181 0.000 1.061 715 V HN 0.996 nan 8.190 nan 0.000 0.480 716 D N 1.072 121.423 120.400 -0.082 0.000 2.509 716 D HA 0.244 4.883 4.640 -0.001 0.000 0.275 716 D C 1.392 177.668 176.300 -0.040 0.000 1.189 716 D CA 0.359 54.323 54.000 -0.061 0.000 1.098 716 D CB -0.251 40.508 40.800 -0.067 0.000 1.177 716 D HN 0.687 nan 8.370 nan 0.000 0.599 717 T N -2.971 111.563 114.554 -0.033 0.000 2.962 717 T HA -0.121 4.229 4.350 -0.001 0.000 0.270 717 T C 0.682 175.371 174.700 -0.018 0.000 1.088 717 T CA 1.274 63.360 62.100 -0.022 0.000 1.127 717 T CB -0.770 68.086 68.868 -0.021 0.000 0.883 717 T HN 0.543 nan 8.240 nan 0.000 0.493 718 N N 0.252 118.939 118.700 -0.021 0.000 2.291 718 N HA 0.413 5.152 4.740 -0.001 0.000 0.244 718 N C 0.714 176.216 175.510 -0.013 0.000 1.216 718 N CA -0.167 52.875 53.050 -0.014 0.000 0.879 718 N CB 0.293 38.772 38.487 -0.013 0.000 1.167 718 N HN 0.498 nan 8.380 nan 0.000 0.515 719 G N -0.126 108.660 108.800 -0.022 0.000 2.470 719 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.286 719 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.286 719 G C -0.938 173.945 174.900 -0.028 0.000 1.115 719 G CA -0.004 45.083 45.100 -0.023 0.000 1.122 719 G HN 0.343 nan 8.290 nan 0.000 0.522 720 V N 1.900 121.782 119.914 -0.053 0.000 2.488 720 V HA 0.412 4.532 4.120 -0.001 0.000 0.293 720 V C 0.018 176.067 176.094 -0.075 0.000 1.027 720 V CA -1.343 60.932 62.300 -0.042 0.000 0.862 720 V CB 1.516 33.318 31.823 -0.035 0.000 1.008 720 V HN 0.564 nan 8.190 nan 0.000 0.428 721 Y N 4.416 124.584 120.300 -0.221 0.000 2.511 721 Y HA 0.462 5.012 4.550 -0.001 0.000 0.332 721 Y C 0.717 176.532 175.900 -0.142 0.000 1.177 721 Y CA 0.262 58.209 58.100 -0.255 0.000 1.422 721 Y CB 1.018 39.303 38.460 -0.292 0.000 1.271 721 Y HN 0.729 nan 8.280 nan 0.000 0.550 722 S N 4.369 119.632 115.700 -0.728 0.000 2.619 722 S HA 0.413 4.883 4.470 -0.001 0.000 0.280 722 S C -1.507 172.639 174.600 -0.756 0.000 1.150 722 S CA -1.196 56.672 58.200 -0.552 0.000 0.978 722 S CB 1.404 64.398 63.200 -0.344 0.000 1.041 722 S HN 0.676 nan 8.310 nan 0.000 0.485 723 E N 3.094 122.959 120.200 -0.558 0.000 2.001 723 E HA 0.218 4.567 4.350 -0.001 0.000 0.279 723 E C -1.856 174.388 176.600 -0.594 0.000 1.045 723 E CA -2.002 54.036 56.400 -0.603 0.000 0.833 723 E CB 0.460 30.045 29.700 -0.191 0.000 1.077 723 E HN 0.355 nan 8.360 nan 0.000 0.397 724 P HA -0.216 nan 4.420 nan 0.000 0.208 724 P C 0.201 177.338 177.300 -0.272 0.000 1.180 724 P CA 1.519 64.322 63.100 -0.495 0.000 0.935 724 P CB 0.181 31.559 31.700 -0.537 0.000 0.785 725 R N -1.613 118.777 120.500 -0.184 0.000 2.892 725 R HA 0.616 4.956 4.340 -0.001 0.000 0.265 725 R C -2.949 173.406 176.300 0.092 0.000 1.025 725 R CA -2.324 53.785 56.100 0.014 0.000 0.982 725 R CB 0.098 30.472 30.300 0.123 0.000 1.185 725 R HN -0.138 nan 8.270 nan 0.000 0.484 726 P HA 0.197 nan 4.420 nan 0.000 0.274 726 P C -0.697 176.764 177.300 0.268 0.000 1.231 726 P CA -0.367 62.792 63.100 0.100 0.000 0.790 726 P CB 0.523 32.250 31.700 0.044 0.000 0.951 727 I N 1.877 122.642 120.570 0.325 0.000 2.382 727 I HA 0.302 4.472 4.170 -0.001 0.000 0.286 727 I C 1.167 177.643 176.117 0.600 0.000 1.002 727 I CA -0.315 61.213 61.300 0.379 0.000 1.135 727 I CB 0.754 38.851 38.000 0.162 0.000 1.288 727 I HN 0.418 nan 8.210 nan 0.000 0.448 728 G N 3.527 112.678 108.800 0.586 0.000 2.631 728 G HA2 0.223 4.183 3.960 -0.001 0.000 0.271 728 G HA3 0.223 4.183 3.960 -0.001 0.000 0.271 728 G C 0.545 175.616 174.900 0.284 0.000 1.302 728 G CA 0.146 45.462 45.100 0.360 0.000 1.002 728 G HN 0.577 nan 8.290 nan 0.000 0.519 729 T N -1.403 113.242 114.554 0.150 0.000 2.986 729 T HA 0.176 4.526 4.350 -0.001 0.000 0.264 729 T C 0.913 175.723 174.700 0.183 0.000 0.964 729 T CA -0.221 61.944 62.100 0.108 0.000 0.895 729 T CB 0.022 68.960 68.868 0.116 0.000 1.163 729 T HN 0.362 nan 8.240 nan 0.000 0.517 730 R N 1.206 121.802 120.500 0.160 0.000 2.391 730 R HA 0.344 4.683 4.340 -0.001 0.000 0.310 730 R C -0.591 175.744 176.300 0.059 0.000 1.174 730 R CA -0.167 55.964 56.100 0.051 0.000 1.118 730 R CB 0.374 30.611 30.300 -0.105 0.000 1.134 730 R HN 0.327 nan 8.270 nan 0.000 0.524 731 Y N 0.599 120.923 120.300 0.041 0.000 2.452 731 Y HA 0.238 4.787 4.550 -0.001 0.000 0.262 731 Y C 0.463 176.418 175.900 0.092 0.000 1.089 731 Y CA -0.068 58.076 58.100 0.073 0.000 1.262 731 Y CB 0.880 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 0.731 122.114 121.223 0.267 0.000 2.334 732 L HA 0.469 4.808 4.340 -0.001 0.000 0.275 732 L C 0.167 177.135 176.870 0.162 0.000 1.036 732 L CA -0.765 54.260 54.840 0.308 0.000 0.807 732 L CB 1.567 43.972 42.059 0.576 0.000 1.231 732 L HN 0.007 nan 8.230 nan 0.000 0.438 733 T N -0.234 114.419 114.554 0.166 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 0.016 0.000 0.993 733 T CB 2.027 70.936 68.868 0.069 0.000 0.939 733 T HN 0.592 nan 8.240 nan 0.000 0.449 734 R N 2.090 122.403 120.500 -0.312 0.000 2.807 734 R HA 0.477 4.816 4.340 -0.001 0.000 0.276 734 R C -0.727 175.502 176.300 -0.117 0.000 0.979 734 R CA -0.677 55.188 56.100 -0.391 0.000 0.928 734 R CB 1.447 31.114 30.300 -1.055 0.000 1.191 734 R HN 0.712 nan 8.270 nan 0.000 0.471 735 N N 0.951 119.620 118.700 -0.052 0.000 2.374 735 N HA 0.344 5.084 4.740 -0.001 0.000 0.284 735 N C -0.219 175.322 175.510 0.052 0.000 1.280 735 N CA -0.268 52.797 53.050 0.025 0.000 0.963 735 N CB 0.326 38.821 38.487 0.013 0.000 1.141 735 N HN 0.361 nan 8.380 nan 0.000 0.565 736 L N 0.000 121.219 121.223 -0.006 0.000 2.949 736 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 736 L CA 0.000 54.781 54.840 -0.098 0.000 0.813 736 L CB 0.000 41.952 42.059 -0.178 0.000 0.961 736 L HN 0.000 nan 8.230 nan 0.000 0.502