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_I 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 1.708 124.548 122.820 0.033 0.000 2.476 218 A HA 0.808 5.127 4.320 -0.001 0.000 0.280 218 A C -1.072 176.531 177.584 0.032 0.000 1.081 218 A CA -0.540 51.520 52.037 0.038 0.000 0.753 218 A CB 1.564 20.583 19.000 0.032 0.000 1.248 218 A HN 0.515 nan 8.150 nan 0.000 0.424 219 D N 0.550 120.973 120.400 0.038 0.000 2.989 219 D HA 0.694 5.334 4.640 -0.001 0.000 0.284 219 D C 0.673 176.994 176.300 0.034 0.000 1.212 219 D CA 0.279 54.299 54.000 0.033 0.000 1.055 219 D CB 1.318 42.138 40.800 0.033 0.000 1.351 219 D HN 0.676 nan 8.370 nan 0.000 0.611 220 G N -0.707 108.111 108.800 0.031 0.000 2.828 220 G HA2 0.456 4.416 3.960 -0.001 0.000 0.244 220 G HA3 0.456 4.416 3.960 -0.001 0.000 0.244 220 G C 0.811 175.728 174.900 0.030 0.000 1.365 220 G CA -0.217 44.900 45.100 0.028 0.000 1.041 220 G HN 0.203 nan 8.290 nan 0.000 0.560 221 V N 0.472 120.400 119.914 0.023 0.000 2.273 221 V HA 0.110 4.230 4.120 -0.001 0.000 0.242 221 V C 2.376 178.482 176.094 0.020 0.000 1.035 221 V CA 1.855 64.167 62.300 0.021 0.000 1.013 221 V CB -0.662 31.169 31.823 0.014 0.000 0.652 221 V HN 0.731 nan 8.190 nan 0.000 0.452 222 G N 1.185 109.996 108.800 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 1.335 39.839 38.487 0.027 0.000 1.414 223 N HN 0.067 nan 8.380 nan 0.000 0.529 224 S N 1.655 117.386 115.700 0.053 0.000 2.544 224 S HA 0.034 4.503 4.470 -0.001 0.000 0.290 224 S C 0.882 175.535 174.600 0.088 0.000 1.276 224 S CA -0.105 58.145 58.200 0.084 0.000 1.075 224 S CB 0.375 63.629 63.200 0.089 0.000 0.849 224 S HN 0.562 nan 8.310 nan 0.000 0.494 225 S N 1.739 117.520 115.700 0.134 0.000 2.743 225 S HA 0.542 5.012 4.470 -0.001 0.000 0.230 225 S C 0.716 175.364 174.600 0.080 0.000 0.950 225 S CA -0.276 57.998 58.200 0.123 0.000 0.976 225 S CB -0.721 62.578 63.200 0.165 0.000 0.779 225 S HN 1.526 nan 8.310 nan 0.000 0.487 226 G N 0.296 109.102 108.800 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 -1.803 172.964 174.900 -0.222 0.000 1.498 226 G CA -1.089 43.786 45.100 -0.374 0.000 0.847 226 G HN 0.267 nan 8.290 nan 0.000 0.594 227 N N -0.712 117.806 118.700 -0.303 0.000 2.471 227 N HA 0.427 5.167 4.740 -0.001 0.000 0.288 227 N C -0.781 174.727 175.510 -0.003 0.000 1.220 227 N CA -0.851 52.146 53.050 -0.088 0.000 0.893 227 N CB 2.000 40.388 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 0.142 4.801 4.660 -0.001 0.000 0.371 228 W C -0.955 175.467 176.519 -0.162 0.000 1.006 228 W CA 0.002 57.340 57.345 -0.012 0.000 1.528 228 W CB -0.284 29.176 29.460 -0.000 0.000 1.497 228 W HN 0.458 nan 8.180 nan 0.000 0.367 229 H N 4.865 123.861 119.070 -0.125 0.000 2.787 229 H HA 0.181 4.736 4.556 -0.001 0.000 0.275 229 H C -0.190 175.022 175.328 -0.193 0.000 1.183 229 H CA -0.033 55.952 56.048 -0.105 0.000 1.290 229 H CB 1.089 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 4.468 123.771 119.300 0.006 0.000 2.547 230 C HA 0.354 4.814 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 -0.357 58.662 59.018 0.002 0.000 1.390 230 C CB -0.409 27.348 27.740 0.028 0.000 1.918 230 C HN 0.929 nan 8.230 nan 0.000 0.438 231 D N 2.153 122.575 120.400 0.037 0.000 2.710 231 D HA 0.642 5.282 4.640 -0.001 0.000 0.276 231 D C -1.277 175.016 176.300 -0.011 0.000 1.267 231 D CA 0.158 54.180 54.000 0.037 0.000 0.772 231 D CB 2.109 42.944 40.800 0.059 0.000 1.299 231 D HN 0.627 nan 8.370 nan 0.000 0.421 232 S N 0.813 116.504 115.700 -0.015 0.000 2.603 232 S HA 0.725 5.194 4.470 -0.001 0.000 0.274 232 S C -1.460 173.105 174.600 -0.059 0.000 1.168 232 S CA -0.851 57.289 58.200 -0.100 0.000 0.963 232 S CB 1.720 64.806 63.200 -0.190 0.000 1.078 232 S HN 0.462 nan 8.310 nan 0.000 0.477 233 Q N 1.412 121.150 119.800 -0.104 0.000 2.458 233 Q HA 0.808 5.148 4.340 -0.001 0.000 0.282 233 Q C -1.673 174.268 176.000 -0.099 0.000 1.106 233 Q CA -0.592 55.224 55.803 0.023 0.000 0.814 233 Q CB 0.428 29.210 28.738 0.073 0.000 1.425 233 Q HN 0.761 nan 8.270 nan 0.000 0.437 234 W N 0.336 121.656 121.300 0.033 0.000 2.639 234 W HA 0.573 5.232 4.660 -0.001 0.000 0.347 234 W C -0.012 176.528 176.519 0.035 0.000 1.067 234 W CA -0.782 56.587 57.345 0.040 0.000 1.218 234 W CB 1.105 30.584 29.460 0.031 0.000 1.393 234 W HN 0.451 nan 8.180 nan 0.000 0.557 235 L N 2.771 124.151 121.223 0.261 0.000 2.906 235 L HA 0.234 4.574 4.340 -0.001 0.000 0.255 235 L C 1.665 178.630 176.870 0.158 0.000 1.166 235 L CA 0.903 55.841 54.840 0.163 0.000 0.977 235 L CB -0.744 41.379 42.059 0.106 0.000 1.313 235 L HN 1.013 nan 8.230 nan 0.000 0.549 236 G N 1.078 110.007 108.800 0.216 0.000 2.480 236 G HA2 -0.446 3.513 3.960 -0.001 0.000 0.246 236 G HA3 -0.446 3.513 3.960 -0.001 0.000 0.246 236 G C 0.989 175.973 174.900 0.139 0.000 1.073 236 G CA 1.120 46.308 45.100 0.147 0.000 0.643 236 G HN 0.384 nan 8.290 nan 0.000 0.525 237 D N 0.356 120.838 120.400 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 0.190 41.045 40.800 0.092 0.000 0.984 237 D HN 0.864 nan 8.370 nan 0.000 0.508 238 R N -1.748 118.864 120.500 0.186 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 55.235 56.100 0.190 0.000 0.865 238 R CB 1.075 31.457 30.300 0.137 0.000 1.268 238 R HN -0.128 nan 8.270 nan 0.000 0.475 239 V N 1.627 121.593 119.914 0.088 0.000 2.686 239 V HA 0.564 4.684 4.120 -0.001 0.000 0.306 239 V C -1.576 174.488 176.094 -0.051 0.000 1.065 239 V CA -0.878 61.323 62.300 -0.165 0.000 0.894 239 V CB 1.956 33.356 31.823 -0.704 0.000 1.004 239 V HN 0.673 nan 8.190 nan 0.000 0.424 240 I N 5.598 126.084 120.570 -0.139 0.000 2.339 240 I HA 0.505 4.674 4.170 -0.001 0.000 0.290 240 I C 0.444 176.480 176.117 -0.134 0.000 0.994 240 I CA 0.072 61.334 61.300 -0.064 0.000 1.191 240 I CB 2.053 40.013 38.000 -0.066 0.000 1.343 240 I HN 0.783 nan 8.210 nan 0.000 0.458 241 T N 1.454 115.972 114.554 -0.061 0.000 2.756 241 T HA 0.596 4.945 4.350 -0.001 0.000 0.290 241 T C -0.069 174.602 174.700 -0.049 0.000 0.985 241 T CA -0.681 61.337 62.100 -0.137 0.000 0.955 241 T CB 0.520 69.238 68.868 -0.250 0.000 0.930 241 T HN 0.474 nan 8.240 nan 0.000 0.451 242 T N 2.898 117.416 114.554 -0.059 0.000 2.794 242 T HA 0.637 4.986 4.350 -0.001 0.000 0.280 242 T C -0.300 174.375 174.700 -0.042 0.000 0.987 242 T CA -0.737 61.336 62.100 -0.045 0.000 0.993 242 T CB 1.449 70.295 68.868 -0.036 0.000 0.939 242 T HN 0.703 nan 8.240 nan 0.000 0.449 243 S N 1.934 117.597 115.700 -0.061 0.000 2.571 243 S HA 0.685 5.154 4.470 -0.001 0.000 0.284 243 S C -0.934 173.547 174.600 -0.199 0.000 1.128 243 S CA -0.537 57.606 58.200 -0.096 0.000 0.970 243 S CB 1.205 64.382 63.200 -0.037 0.000 1.039 243 S HN 0.665 nan 8.310 nan 0.000 0.485 244 T N 5.324 119.659 114.554 -0.365 0.000 2.881 244 T HA 0.665 5.015 4.350 -0.001 0.000 0.290 244 T C -0.958 173.362 174.700 -0.634 0.000 1.000 244 T CA -0.840 60.883 62.100 -0.629 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 1.231 121.565 120.500 -0.277 0.000 2.836 245 R HA 0.637 4.977 4.340 -0.001 0.000 0.269 245 R C -0.817 175.617 176.300 0.224 0.000 1.010 245 R CA -0.816 55.352 56.100 0.113 0.000 0.930 245 R CB 1.680 32.190 30.300 0.350 0.000 1.218 245 R HN 0.564 nan 8.270 nan 0.000 0.473 246 T N 2.615 117.359 114.554 0.315 0.000 2.799 246 T HA 0.514 4.863 4.350 -0.001 0.000 0.286 246 T C -0.192 174.463 174.700 -0.074 0.000 0.973 246 T CA -0.624 61.516 62.100 0.067 0.000 1.035 246 T CB 0.659 69.560 68.868 0.054 0.000 0.932 246 T HN 0.455 nan 8.240 nan 0.000 0.469 247 W N 0.672 121.814 121.300 -0.264 0.000 2.799 247 W HA 0.836 5.496 4.660 -0.001 0.000 0.349 247 W C -1.302 174.995 176.519 -0.371 0.000 1.100 247 W CA -1.715 55.196 57.345 -0.723 0.000 1.174 247 W CB 1.392 30.498 29.460 -0.589 0.000 1.427 247 W HN 0.730 nan 8.180 nan 0.000 0.547 248 A N 2.733 125.540 122.820 -0.022 0.000 2.414 248 A HA 0.761 5.080 4.320 -0.001 0.000 0.306 248 A C -2.199 175.506 177.584 0.201 0.000 1.054 248 A CA -0.759 51.341 52.037 0.105 0.000 0.724 248 A CB 1.978 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 3.677 125.071 121.223 0.285 0.000 2.404 249 L HA 0.690 5.029 4.340 -0.001 0.000 0.272 249 L C -2.683 174.239 176.870 0.085 0.000 0.980 249 L CA -1.585 53.351 54.840 0.161 0.000 0.836 249 L CB 2.124 44.274 42.059 0.152 0.000 1.238 249 L HN 0.443 nan 8.230 nan 0.000 0.408 250 P HA 0.375 nan 4.420 nan 0.000 0.293 250 P C -1.049 176.094 177.300 -0.262 0.000 1.304 250 P CA -0.420 62.540 63.100 -0.233 0.000 0.767 250 P CB 0.540 31.931 31.700 -0.516 0.000 1.247 251 T N 0.608 114.994 114.554 -0.279 0.000 2.762 251 T HA 0.320 4.670 4.350 -0.001 0.000 0.303 251 T C -0.363 174.130 174.700 -0.344 0.000 0.977 251 T CA 0.081 62.005 62.100 -0.293 0.000 0.961 251 T CB -0.848 67.805 68.868 -0.359 0.000 0.944 251 T HN 0.126 nan 8.240 nan 0.000 0.481 252 Y N 2.085 122.280 120.300 -0.175 0.000 2.301 252 Y HA 0.188 4.738 4.550 -0.001 0.000 0.328 252 Y C 1.684 177.498 175.900 -0.143 0.000 1.242 252 Y CA -0.212 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 1.936 120.691 118.700 0.092 0.000 2.650 253 N HA -0.395 4.345 4.740 -0.001 0.000 0.249 253 N C -0.365 175.137 175.510 -0.012 0.000 1.155 253 N CA 0.770 53.845 53.050 0.042 0.000 0.747 253 N CB -0.598 37.920 38.487 0.051 0.000 1.132 253 N HN 0.766 nan 8.380 nan 0.000 0.564 254 N N 0.172 118.809 118.700 -0.104 0.000 2.714 254 N HA -0.208 4.532 4.740 -0.001 0.000 0.253 254 N C -0.558 174.899 175.510 -0.089 0.000 1.024 254 N CA 2.032 55.000 53.050 -0.137 0.000 0.726 254 N CB -1.745 36.753 38.487 0.018 0.000 0.908 254 N HN 0.721 nan 8.380 nan 0.000 0.542 255 H N -2.729 116.295 119.070 -0.076 0.000 2.861 255 H HA -0.203 4.353 4.556 -0.001 0.000 0.289 255 H C -0.159 175.144 175.328 -0.042 0.000 1.176 255 H CA 1.212 57.165 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 0.134 121.400 121.223 0.072 0.000 2.401 256 L HA 0.452 4.791 4.340 -0.001 0.000 0.266 256 L C -0.240 176.691 176.870 0.102 0.000 0.991 256 L CA -1.028 53.901 54.840 0.149 0.000 0.818 256 L CB 1.405 43.568 42.059 0.174 0.000 1.321 256 L HN 0.021 nan 8.230 nan 0.000 0.413 257 Y N 2.077 122.529 120.300 0.254 0.000 2.336 257 Y HA 0.323 4.873 4.550 -0.001 0.000 0.335 257 Y C 0.030 176.087 175.900 0.262 0.000 1.046 257 Y CA -0.163 58.124 58.100 0.312 0.000 1.198 257 Y CB 1.016 39.729 38.460 0.422 0.000 1.182 257 Y HN 0.284 nan 8.280 nan 0.000 0.502 258 K N 2.873 123.483 120.400 0.350 0.000 2.270 258 K HA 0.224 4.544 4.320 -0.001 0.000 0.255 258 K C -0.820 175.870 176.600 0.150 0.000 0.936 258 K CA -1.059 55.354 56.287 0.210 0.000 0.809 258 K CB 1.966 34.531 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 -0.334 55.226 55.803 -0.405 0.000 0.911 259 Q CB 0.199 28.742 28.738 -0.325 0.000 1.227 259 Q HN 0.581 nan 8.270 nan 0.000 0.418 260 I N 1.029 121.258 120.570 -0.568 0.000 2.707 260 I HA 0.793 4.962 4.170 -0.001 0.000 0.309 260 I C -0.506 175.252 176.117 -0.598 0.000 1.001 260 I CA -0.726 60.344 61.300 -0.383 0.000 1.129 260 I CB 2.079 39.985 38.000 -0.156 0.000 1.308 260 I HN 0.693 nan 8.210 nan 0.000 0.466 261 S N 1.866 117.256 115.700 -0.517 0.000 2.661 261 S HA 0.469 4.938 4.470 -0.001 0.000 0.268 261 S C -0.560 173.498 174.600 -0.904 0.000 1.162 261 S CA -0.592 57.148 58.200 -0.768 0.000 0.817 261 S CB 0.873 63.934 63.200 -0.231 0.000 1.141 261 S HN 0.994 nan 8.310 nan 0.000 0.477 262 S N 1.143 116.362 115.700 -0.803 0.000 2.576 262 S HA 0.358 4.827 4.470 -0.001 0.000 0.276 262 S C 0.087 174.668 174.600 -0.032 0.000 1.339 262 S CA -0.553 57.507 58.200 -0.233 0.000 1.039 262 S CB 0.292 63.557 63.200 0.108 0.000 0.902 262 S HN 0.769 nan 8.310 nan 0.000 0.516 263 Q N 1.456 121.277 119.800 0.034 0.000 2.349 263 Q HA 0.055 4.394 4.340 -0.001 0.000 0.287 263 Q C -0.356 175.670 176.000 0.042 0.000 1.044 263 Q CA 0.380 56.197 55.803 0.024 0.000 0.918 263 Q CB 0.549 29.297 28.738 0.017 0.000 1.242 263 Q HN 0.827 nan 8.270 nan 0.000 0.405 264 S N 2.502 118.222 115.700 0.033 0.000 2.711 264 S HA 0.211 4.680 4.470 -0.001 0.000 0.335 264 S C 0.680 175.310 174.600 0.049 0.000 1.175 264 S CA 0.422 58.649 58.200 0.045 0.000 1.372 264 S CB -0.743 62.470 63.200 0.020 0.000 1.337 264 S HN 0.812 nan 8.310 nan 0.000 0.572 265 G N 2.018 110.872 108.800 0.091 0.000 2.353 265 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.294 265 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.294 265 G C 0.465 175.369 174.900 0.007 0.000 1.077 265 G CA -0.022 45.117 45.100 0.065 0.000 1.098 265 G HN 0.958 nan 8.290 nan 0.000 0.511 266 A N -1.075 121.724 122.820 -0.035 0.000 2.127 266 A HA 0.818 5.137 4.320 -0.001 0.000 0.204 266 A C 1.084 178.600 177.584 -0.112 0.000 1.243 266 A CA 1.602 53.603 52.037 -0.060 0.000 0.887 266 A CB 0.835 19.809 19.000 -0.044 0.000 0.933 266 A HN 1.558 nan 8.150 nan 0.000 0.479 267 S N -1.997 113.578 115.700 -0.209 0.000 2.552 267 S HA 0.334 4.803 4.470 -0.001 0.000 0.272 267 S C 0.026 174.369 174.600 -0.428 0.000 1.150 267 S CA -0.393 57.657 58.200 -0.250 0.000 0.849 267 S CB 1.259 64.328 63.200 -0.218 0.000 1.113 267 S HN 0.406 nan 8.310 nan 0.000 0.458 268 N N 0.666 119.242 118.700 -0.207 0.000 2.571 268 N HA 0.034 4.774 4.740 -0.001 0.000 0.195 268 N C 0.016 175.568 175.510 0.070 0.000 1.040 268 N CA 0.202 53.241 53.050 -0.018 0.000 0.890 268 N CB 0.129 38.667 38.487 0.085 0.000 1.233 268 N HN 0.510 nan 8.380 nan 0.000 0.435 269 D N 0.650 121.058 120.400 0.013 0.000 2.363 269 D HA 0.030 4.670 4.640 -0.001 0.000 0.226 269 D C -0.021 176.291 176.300 0.021 0.000 1.020 269 D CA 0.630 54.669 54.000 0.064 0.000 0.892 269 D CB -0.199 40.657 40.800 0.094 0.000 0.900 269 D HN 0.408 nan 8.370 nan 0.000 0.531 270 N N -0.602 118.069 118.700 -0.049 0.000 2.200 270 N HA 0.006 4.746 4.740 -0.001 0.000 0.224 270 N C 0.039 175.593 175.510 0.074 0.000 1.179 270 N CA -0.354 52.675 53.050 -0.036 0.000 0.877 270 N CB 0.735 39.153 38.487 -0.116 0.000 1.072 270 N HN 0.069 nan 8.380 nan 0.000 0.519 271 H N 1.118 120.273 119.070 0.141 0.000 2.871 271 H HA 0.045 4.601 4.556 -0.001 0.000 0.355 271 H C -0.423 175.080 175.328 0.291 0.000 1.092 271 H CA 0.677 56.833 56.048 0.179 0.000 1.420 271 H CB 0.369 30.186 29.762 0.092 0.000 1.400 271 H HN 0.259 nan 8.280 nan 0.000 0.604 272 Y N 0.545 120.968 120.300 0.206 0.000 2.702 272 Y HA 0.472 5.022 4.550 -0.001 0.000 0.336 272 Y C -2.270 173.746 175.900 0.193 0.000 1.203 272 Y CA -1.377 56.814 58.100 0.151 0.000 1.072 272 Y CB 1.308 39.812 38.460 0.073 0.000 1.327 272 Y HN 0.403 nan 8.280 nan 0.000 0.456 273 F N 1.276 121.195 119.950 -0.052 0.000 2.588 273 F HA 0.833 5.359 4.527 -0.001 0.000 0.314 273 F C -0.346 175.405 175.800 -0.081 0.000 1.134 273 F CA 0.036 57.916 58.000 -0.199 0.000 0.961 273 F CB 1.968 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 2.932 111.225 108.800 -0.845 0.000 2.588 274 G HA2 0.491 4.451 3.960 -0.001 0.000 0.281 274 G HA3 0.491 4.451 3.960 -0.001 0.000 0.281 274 G C -2.405 171.863 174.900 -1.054 0.000 1.223 274 G CA -0.579 44.138 45.100 -0.638 0.000 0.871 274 G HN 0.516 nan 8.290 nan 0.000 0.492 275 Y N -0.891 119.042 120.300 -0.611 0.000 2.588 275 Y HA 0.729 5.278 4.550 -0.001 0.000 0.343 275 Y C 0.095 175.843 175.900 -0.253 0.000 1.065 275 Y CA -0.797 57.073 58.100 -0.384 0.000 1.038 275 Y CB 2.603 40.946 38.460 -0.195 0.000 1.297 275 Y HN 0.538 nan 8.280 nan 0.000 0.467 276 S N 1.298 117.073 115.700 0.126 0.000 2.456 276 S HA 0.573 5.042 4.470 -0.001 0.000 0.316 276 S C -0.593 174.134 174.600 0.213 0.000 1.089 276 S CA -0.539 57.727 58.200 0.111 0.000 1.101 276 S CB 0.199 63.432 63.200 0.056 0.000 0.995 276 S HN 0.701 nan 8.310 nan 0.000 0.468 277 T N 2.733 117.421 114.554 0.223 0.000 2.902 277 T HA 0.564 4.913 4.350 -0.001 0.000 0.283 277 T C -2.425 172.288 174.700 0.021 0.000 1.009 277 T CA -2.080 60.095 62.100 0.125 0.000 1.051 277 T CB 1.376 70.554 68.868 0.517 0.000 0.999 277 T HN 0.297 nan 8.240 nan 0.000 0.474 278 P HA 0.146 nan 4.420 nan 0.000 0.242 278 P C -0.688 176.571 177.300 -0.067 0.000 1.197 278 P CA 0.040 63.071 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 0.324 121.608 121.300 -0.026 0.000 2.375 279 W HA 0.560 5.220 4.660 -0.001 0.000 0.336 279 W C 1.074 177.572 176.519 -0.035 0.000 1.160 279 W CA -0.043 57.300 57.345 -0.004 0.000 1.266 279 W CB 0.684 30.134 29.460 -0.018 0.000 1.195 279 W HN -0.190 nan 8.180 nan 0.000 0.599 280 G N 0.560 109.456 108.800 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 -1.972 172.928 174.900 -0.001 0.000 1.315 280 G CA -0.711 44.363 45.100 -0.042 0.000 1.045 280 G HN 0.574 nan 8.290 nan 0.000 0.517 281 Y N -2.921 117.231 120.300 -0.247 0.000 2.624 281 Y HA 0.733 5.282 4.550 -0.001 0.000 0.334 281 Y C -1.790 173.917 175.900 -0.322 0.000 1.155 281 Y CA -2.190 55.754 58.100 -0.261 0.000 1.046 281 Y CB 1.061 39.408 38.460 -0.189 0.000 1.316 281 Y HN 0.395 nan 8.280 nan 0.000 0.457 282 F N 1.554 121.556 119.950 0.087 0.000 2.422 282 F HA 0.566 5.093 4.527 -0.001 0.000 0.333 282 F C -0.263 175.638 175.800 0.169 0.000 1.095 282 F CA -0.076 58.014 58.000 0.149 0.000 1.038 282 F CB 1.694 40.860 39.000 0.276 0.000 1.156 282 F HN 0.636 nan 8.300 nan 0.000 0.483 283 D N 1.712 122.305 120.400 0.322 0.000 2.753 283 D HA 0.446 5.085 4.640 -0.001 0.000 0.224 283 D C -0.887 175.495 176.300 0.137 0.000 1.213 283 D CA -0.516 53.524 54.000 0.068 0.000 0.833 283 D CB 1.289 42.140 40.800 0.086 0.000 1.607 283 D HN 0.289 nan 8.370 nan 0.000 0.463 284 F N 0.611 120.662 119.950 0.167 0.000 2.656 284 F HA 0.386 4.912 4.527 -0.001 0.000 0.363 284 F C 0.300 176.150 175.800 0.083 0.000 1.313 284 F CA -0.814 57.248 58.000 0.103 0.000 1.089 284 F CB -0.972 38.181 39.000 0.254 0.000 1.247 284 F HN 0.279 nan 8.300 nan 0.000 0.509 285 N N 1.835 120.368 118.700 -0.279 0.000 2.581 285 N HA 0.134 4.873 4.740 -0.001 0.000 0.230 285 N C -0.382 174.924 175.510 -0.340 0.000 1.310 285 N CA 0.010 52.700 53.050 -0.602 0.000 0.886 285 N CB 0.184 38.122 38.487 -0.915 0.000 1.205 285 N HN 0.371 nan 8.380 nan 0.000 0.488 286 R N -0.410 119.967 120.500 -0.205 0.000 2.628 286 R HA 0.193 4.533 4.340 -0.001 0.000 0.288 286 R C 0.017 176.191 176.300 -0.209 0.000 0.980 286 R CA -0.655 55.272 56.100 -0.288 0.000 0.891 286 R CB 0.941 30.925 30.300 -0.527 0.000 1.188 286 R HN 0.129 nan 8.270 nan 0.000 0.450 287 F N 1.016 120.963 119.950 -0.006 0.000 2.216 287 F HA -0.184 4.343 4.527 -0.001 0.000 0.300 287 F C 2.316 178.155 175.800 0.065 0.000 1.085 287 F CA 1.700 59.787 58.000 0.146 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 -2.796 116.340 119.070 0.109 0.000 2.561 288 H HA -0.038 4.517 4.556 -0.001 0.000 0.278 288 H C 1.752 177.093 175.328 0.022 0.000 1.014 288 H CA 0.575 56.648 56.048 0.041 0.000 1.211 288 H CB -1.413 28.349 29.762 -0.000 0.000 1.365 288 H HN 0.248 nan 8.280 nan 0.000 0.594 289 C N 0.669 119.828 119.300 -0.236 0.000 2.432 289 C HA -0.033 4.427 4.460 -0.001 0.000 0.280 289 C C 1.846 176.603 174.990 -0.388 0.000 1.353 289 C CA 1.008 59.813 59.018 -0.355 0.000 1.766 289 C CB -0.613 26.753 27.740 -0.625 0.000 1.924 289 C HN 0.799 nan 8.230 nan 0.000 0.509 290 H N -2.790 116.400 119.070 0.199 0.000 2.521 290 H HA 0.244 4.799 4.556 -0.001 0.000 0.267 290 H C 0.127 175.416 175.328 -0.066 0.000 0.963 290 H CA 0.193 56.289 56.048 0.080 0.000 1.175 290 H CB -0.198 29.663 29.762 0.166 0.000 1.450 290 H HN 0.311 nan 8.280 nan 0.000 0.472 291 F N 2.891 122.978 119.950 0.229 0.000 2.394 291 F HA 0.262 4.788 4.527 -0.001 0.000 0.340 291 F C 1.141 177.016 175.800 0.124 0.000 1.105 291 F CA -0.857 57.242 58.000 0.165 0.000 1.124 291 F CB 1.209 40.365 39.000 0.259 0.000 1.145 291 F HN -0.037 nan 8.300 nan 0.000 0.505 292 S N 2.729 118.593 115.700 0.274 0.000 2.632 292 S HA 0.369 4.839 4.470 -0.001 0.000 0.267 292 S C -2.024 172.680 174.600 0.173 0.000 1.276 292 S CA -1.168 57.146 58.200 0.189 0.000 0.998 292 S CB 1.507 64.798 63.200 0.152 0.000 0.953 292 S HN 0.344 nan 8.310 nan 0.000 0.547 293 P HA -0.172 nan 4.420 nan 0.000 0.216 293 P C 1.713 179.005 177.300 -0.013 0.000 1.157 293 P CA 1.303 64.306 63.100 -0.161 0.000 0.880 293 P CB -0.032 31.487 31.700 -0.301 0.000 0.791 294 R N 0.346 120.888 120.500 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 2.059 58.217 56.100 0.097 0.000 0.945 294 R CB -1.663 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 -0.352 120.209 120.400 0.267 0.000 2.116 295 D HA -0.258 4.382 4.640 -0.001 0.000 0.193 295 D C 1.690 178.233 176.300 0.405 0.000 0.998 295 D CA 1.324 55.606 54.000 0.469 0.000 0.836 295 D CB -0.652 40.474 40.800 0.544 0.000 0.951 295 D HN 0.409 nan 8.370 nan 0.000 0.449 296 W N 1.944 123.294 121.300 0.083 0.000 2.325 296 W HA -0.234 4.426 4.660 -0.001 0.000 0.299 296 W C 2.220 178.610 176.519 -0.214 0.000 1.215 296 W CA 1.419 58.665 57.345 -0.164 0.000 1.244 296 W CB -0.087 29.226 29.460 -0.245 0.000 1.140 296 W HN 0.119 nan 8.180 nan 0.000 0.523 297 Q N 0.339 120.107 119.800 -0.054 0.000 2.020 297 Q HA -0.233 4.106 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 2.144 57.851 55.803 -0.161 0.000 0.838 297 Q CB -0.276 28.441 28.738 -0.035 0.000 0.899 297 Q HN 0.219 nan 8.270 nan 0.000 0.423 298 R N 0.362 120.753 120.500 -0.181 0.000 2.094 298 R HA -0.190 4.150 4.340 -0.001 0.000 0.239 298 R C 2.529 178.622 176.300 -0.345 0.000 1.137 298 R CA 1.701 57.603 56.100 -0.330 0.000 0.943 298 R CB -0.798 29.157 30.300 -0.574 0.000 0.850 298 R HN 0.354 nan 8.270 nan 0.000 0.433 299 L N 0.812 121.894 121.223 -0.236 0.000 1.971 299 L HA -0.258 4.082 4.340 -0.001 0.000 0.215 299 L C 2.237 178.888 176.870 -0.365 0.000 1.072 299 L CA 1.533 56.232 54.840 -0.235 0.000 0.758 299 L CB -0.287 41.500 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 1.948 177.938 176.117 -0.211 0.000 1.085 300 I CA 1.526 62.555 61.300 -0.452 0.000 1.347 300 I CB -1.651 35.989 38.000 -0.600 0.000 1.044 300 I HN 0.448 nan 8.210 nan 0.000 0.408 301 N N 1.031 119.598 118.700 -0.221 0.000 2.521 301 N HA -0.057 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 0.450 53.430 53.050 -0.117 0.000 0.893 301 N CB -0.076 38.331 38.487 -0.132 0.000 0.975 301 N HN 0.468 nan 8.380 nan 0.000 0.451 302 N N -0.282 118.362 118.700 -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 53.002 53.050 -0.104 0.000 0.881 302 N CB 0.785 39.168 38.487 -0.173 0.000 1.153 302 N HN 0.150 nan 8.380 nan 0.000 0.489 303 N N -0.148 118.572 118.700 0.034 0.000 2.342 303 N HA 0.141 4.880 4.740 -0.001 0.000 0.293 303 N C 0.333 176.058 175.510 0.358 0.000 1.026 303 N CA -0.442 52.686 53.050 0.130 0.000 0.857 303 N CB 1.770 40.360 38.487 0.171 0.000 1.256 303 N HN 0.143 nan 8.380 nan 0.000 0.484 304 W N 1.917 123.238 121.300 0.034 0.000 2.321 304 W HA -0.127 4.533 4.660 -0.001 0.000 0.306 304 W C 1.119 177.728 176.519 0.149 0.000 1.217 304 W CA 0.266 57.629 57.345 0.030 0.000 1.257 304 W CB 0.343 29.733 29.460 -0.117 0.000 1.145 304 W HN 0.591 nan 8.180 nan 0.000 0.509 305 G N -1.857 107.198 108.800 0.425 0.000 2.550 305 G HA2 0.468 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 0.087 nan 8.290 nan 0.000 0.482 306 F N -1.313 119.079 119.950 0.736 0.000 2.779 306 F HA 0.945 5.472 4.527 -0.001 0.000 0.316 306 F C -0.759 175.288 175.800 0.412 0.000 1.164 306 F CA -1.367 57.008 58.000 0.626 0.000 0.924 306 F CB 1.651 40.881 39.000 0.383 0.000 1.348 306 F HN 0.928 nan 8.300 nan 0.000 0.467 307 R N -0.355 120.346 120.500 0.336 0.000 2.712 307 R HA 0.689 5.028 4.340 -0.001 0.000 0.272 307 R C -3.636 172.588 176.300 -0.127 0.000 1.032 307 R CA -1.933 54.022 56.100 -0.243 0.000 0.874 307 R CB 1.602 31.421 30.300 -0.802 0.000 1.256 307 R HN 0.374 nan 8.270 nan 0.000 0.468 308 P HA 0.315 nan 4.420 nan 0.000 0.278 308 P C -0.731 176.070 177.300 -0.831 0.000 1.238 308 P CA -0.580 61.759 63.100 -1.268 0.000 0.794 308 P CB 1.155 31.527 31.700 -2.213 0.000 0.955 309 K N 0.995 121.082 120.400 -0.522 0.000 2.537 309 K HA 0.281 4.601 4.320 -0.001 0.000 0.216 309 K C 0.401 177.033 176.600 0.053 0.000 1.349 309 K CA 0.755 56.943 56.287 -0.165 0.000 0.841 309 K CB 0.213 32.618 32.500 -0.158 0.000 1.659 309 K HN 0.349 nan 8.250 nan 0.000 0.435 310 K N 0.294 120.680 120.400 -0.023 0.000 2.331 310 K HA 0.552 4.872 4.320 -0.001 0.000 0.238 310 K C -1.224 175.365 176.600 -0.017 0.000 1.058 310 K CA -0.947 55.301 56.287 -0.064 0.000 0.871 310 K CB 1.714 34.139 32.500 -0.125 0.000 1.292 310 K HN -0.086 nan 8.250 nan 0.000 0.470 311 L N -0.356 120.820 121.223 -0.079 0.000 2.513 311 L HA 0.407 4.746 4.340 -0.001 0.000 0.261 311 L C -1.791 175.035 176.870 -0.073 0.000 0.945 311 L CA 0.007 54.829 54.840 -0.030 0.000 0.848 311 L CB 2.481 44.568 42.059 0.046 0.000 1.334 311 L HN 0.513 nan 8.230 nan 0.000 0.407 312 S N 4.368 120.045 115.700 -0.038 0.000 2.779 312 S HA 0.573 5.042 4.470 -0.001 0.000 0.293 312 S C -1.285 173.350 174.600 0.059 0.000 1.150 312 S CA -0.259 57.919 58.200 -0.037 0.000 1.057 312 S CB 0.738 63.878 63.200 -0.100 0.000 1.021 312 S HN 0.473 nan 8.310 nan 0.000 0.485 313 F N 3.668 123.630 119.950 0.020 0.000 2.436 313 F HA 0.661 5.187 4.527 -0.001 0.000 0.340 313 F C -0.140 175.722 175.800 0.102 0.000 1.113 313 F CA -0.403 57.655 58.000 0.097 0.000 1.022 313 F CB 0.818 39.993 39.000 0.291 0.000 1.128 313 F HN 0.386 nan 8.300 nan 0.000 0.466 314 K N 7.230 127.358 120.400 -0.455 0.000 2.513 314 K HA 0.557 4.877 4.320 -0.001 0.000 0.251 314 K C -2.116 174.423 176.600 -0.103 0.000 0.939 314 K CA -0.619 55.593 56.287 -0.125 0.000 0.793 314 K CB 1.500 33.979 32.500 -0.035 0.000 1.241 314 K HN 0.763 nan 8.250 nan 0.000 0.431 315 L N 6.050 127.382 121.223 0.181 0.000 2.341 315 L HA 0.682 5.022 4.340 -0.001 0.000 0.278 315 L C -0.763 176.370 176.870 0.438 0.000 1.005 315 L CA -0.825 54.131 54.840 0.193 0.000 0.818 315 L CB 0.942 43.103 42.059 0.171 0.000 1.259 315 L HN 0.706 nan 8.230 nan 0.000 0.418 316 F N -0.513 119.548 119.950 0.186 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 -1.441 56.648 58.000 0.148 0.000 0.910 316 F CB 1.083 40.136 39.000 0.088 0.000 1.411 316 F HN 0.459 nan 8.300 nan 0.000 0.492 317 N N 0.343 119.211 118.700 0.280 0.000 2.716 317 N HA -0.210 4.529 4.740 -0.001 0.000 0.250 317 N C -0.967 174.542 175.510 -0.002 0.000 1.033 317 N CA 0.566 53.688 53.050 0.120 0.000 0.727 317 N CB -1.141 37.408 38.487 0.104 0.000 0.950 317 N HN 0.470 nan 8.380 nan 0.000 0.541 318 I N 1.006 121.617 120.570 0.069 0.000 2.588 318 I HA 0.012 4.182 4.170 -0.001 0.000 0.283 318 I C 0.520 176.635 176.117 -0.004 0.000 1.119 318 I CA 0.487 61.823 61.300 0.060 0.000 1.419 318 I CB 0.665 38.779 38.000 0.189 0.000 1.394 318 I HN 0.143 nan 8.210 nan 0.000 0.562 319 Q N 5.438 125.194 119.800 -0.073 0.000 2.305 319 Q HA 0.511 4.851 4.340 -0.001 0.000 0.271 319 Q C -1.374 174.550 176.000 -0.127 0.000 1.046 319 Q CA -0.771 54.975 55.803 -0.094 0.000 0.798 319 Q CB 3.129 31.790 28.738 -0.128 0.000 1.286 319 Q HN 0.384 nan 8.270 nan 0.000 0.435 320 V N 3.365 123.209 119.914 -0.118 0.000 2.311 320 V HA 0.292 4.412 4.120 -0.001 0.000 0.275 320 V C -0.390 175.554 176.094 -0.250 0.000 1.022 320 V CA -0.706 61.493 62.300 -0.167 0.000 0.830 320 V CB 0.890 32.663 31.823 -0.082 0.000 1.012 320 V HN 0.545 nan 8.190 nan 0.000 0.452 321 K N 4.270 124.373 120.400 -0.496 0.000 2.183 321 K HA 0.497 4.816 4.320 -0.001 0.000 0.274 321 K C -0.119 176.232 176.600 -0.414 0.000 1.009 321 K CA -0.492 55.489 56.287 -0.510 0.000 0.888 321 K CB 2.200 34.259 32.500 -0.735 0.000 1.078 321 K HN 0.861 nan 8.250 nan 0.000 0.459 322 E N 0.520 120.631 120.200 -0.147 0.000 2.166 322 E HA 0.421 4.771 4.350 -0.001 0.000 0.275 322 E C -0.754 175.878 176.600 0.052 0.000 0.941 322 E CA -0.995 55.392 56.400 -0.020 0.000 0.784 322 E CB 1.873 31.573 29.700 -0.002 0.000 1.115 322 E HN 0.122 nan 8.360 nan 0.000 0.399 323 V N 2.759 122.742 119.914 0.114 0.000 2.630 323 V HA 0.751 4.870 4.120 -0.001 0.000 0.305 323 V C -0.908 175.228 176.094 0.071 0.000 1.046 323 V CA -0.016 62.351 62.300 0.111 0.000 0.934 323 V CB 1.925 33.834 31.823 0.145 0.000 1.003 323 V HN 1.001 nan 8.190 nan 0.000 0.451 324 T N 3.066 117.651 114.554 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 1.575 70.463 68.868 0.034 0.000 0.981 324 T HN 0.583 nan 8.240 nan 0.000 0.439 325 Q N 3.130 122.944 119.800 0.022 0.000 2.441 325 Q HA 0.405 4.744 4.340 -0.001 0.000 0.234 325 Q C 0.842 176.849 176.000 0.012 0.000 1.078 325 Q CA -0.507 55.304 55.803 0.014 0.000 0.907 325 Q CB 0.622 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 1.382 120.089 118.700 0.011 0.000 2.124 326 N HA -0.069 4.671 4.740 -0.001 0.000 0.189 326 N C 0.123 175.637 175.510 0.006 0.000 1.050 326 N CA 1.216 54.272 53.050 0.009 0.000 0.848 326 N CB 0.353 38.845 38.487 0.009 0.000 1.027 326 N HN 0.451 nan 8.380 nan 0.000 0.435 327 D N -1.371 119.031 120.400 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 54.613 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 0.276 nan 8.370 nan 0.000 0.304 328 G N -0.093 108.707 108.800 -0.000 0.000 3.969 328 G HA2 0.246 4.205 3.960 -0.001 0.000 0.291 328 G HA3 0.246 4.205 3.960 -0.001 0.000 0.291 328 G C -0.292 174.607 174.900 -0.002 0.000 1.016 328 G CA 0.058 45.157 45.100 -0.002 0.000 0.819 328 G HN 0.219 nan 8.290 nan 0.000 0.493 329 T N 0.662 115.216 114.554 0.000 0.000 2.881 329 T HA 0.504 4.854 4.350 -0.001 0.000 0.291 329 T C -0.153 174.549 174.700 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 2.743 117.299 114.554 0.003 0.000 2.723 330 T HA 0.512 4.862 4.350 -0.001 0.000 0.297 330 T C 0.474 175.183 174.700 0.015 0.000 0.925 330 T CA -0.775 61.330 62.100 0.008 0.000 1.030 330 T CB 0.226 69.094 68.868 0.000 0.000 0.905 330 T HN 0.728 nan 8.240 nan 0.000 0.502 331 T N 1.900 116.468 114.554 0.022 0.000 2.795 331 T HA 0.692 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 0.576 69.456 68.868 0.020 0.000 0.936 331 T HN 0.636 nan 8.240 nan 0.000 0.457 332 I N 1.986 122.585 120.570 0.048 0.000 2.433 332 I HA 0.732 4.901 4.170 -0.001 0.000 0.292 332 I C 0.219 176.356 176.117 0.034 0.000 1.001 332 I CA -1.045 60.297 61.300 0.071 0.000 1.119 332 I CB 1.679 39.755 38.000 0.126 0.000 1.289 332 I HN 0.955 nan 8.210 nan 0.000 0.438 333 A N 5.122 127.949 122.820 0.012 0.000 2.525 333 A HA 0.665 4.985 4.320 -0.001 0.000 0.291 333 A C -1.221 176.338 177.584 -0.042 0.000 1.268 333 A CA -0.782 51.249 52.037 -0.010 0.000 0.712 333 A CB 1.386 20.385 19.000 -0.002 0.000 1.320 333 A HN 0.620 nan 8.150 nan 0.000 0.456 334 N N 2.009 120.686 118.700 -0.038 0.000 2.422 334 N HA 0.254 4.993 4.740 -0.001 0.000 0.266 334 N C -1.267 174.219 175.510 -0.040 0.000 1.007 334 N CA -0.186 52.833 53.050 -0.052 0.000 0.941 334 N CB 1.247 39.711 38.487 -0.039 0.000 1.115 334 N HN 0.564 nan 8.380 nan 0.000 0.492 335 N N 3.802 122.471 118.700 -0.052 0.000 2.955 335 N HA 0.200 4.940 4.740 -0.001 0.000 0.242 335 N C 1.050 176.544 175.510 -0.027 0.000 1.123 335 N CA -0.267 52.763 53.050 -0.032 0.000 0.949 335 N CB 0.162 38.631 38.487 -0.031 0.000 1.214 335 N HN 0.486 nan 8.380 nan 0.000 0.504 336 L N 0.540 121.752 121.223 -0.018 0.000 2.046 336 L HA -0.140 4.200 4.340 -0.001 0.000 0.208 336 L C 2.001 178.870 176.870 -0.002 0.000 1.077 336 L CA 1.531 56.365 54.840 -0.010 0.000 0.747 336 L CB -0.755 41.301 42.059 -0.004 0.000 0.896 336 L HN 0.505 nan 8.230 nan 0.000 0.432 337 T N -3.967 110.586 114.554 -0.001 0.000 3.227 337 T HA -0.010 4.339 4.350 -0.001 0.000 0.257 337 T C 0.817 175.518 174.700 0.002 0.000 1.162 337 T CA 0.016 62.118 62.100 0.003 0.000 1.051 337 T CB -0.102 68.769 68.868 0.004 0.000 0.953 337 T HN 0.118 nan 8.240 nan 0.000 0.535 338 S N 1.594 117.292 115.700 -0.003 0.000 2.616 338 S HA 0.600 5.070 4.470 -0.001 0.000 0.277 338 S C 0.235 174.837 174.600 0.003 0.000 1.234 338 S CA -0.572 57.624 58.200 -0.006 0.000 1.028 338 S CB 1.068 64.258 63.200 -0.016 0.000 0.988 338 S HN 0.715 nan 8.310 nan 0.000 0.522 339 T N 0.045 114.600 114.554 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 0.015 0.000 1.054 339 T CA -0.767 61.344 62.100 0.019 0.000 1.015 339 T CB 1.347 70.228 68.868 0.023 0.000 1.167 339 T HN 0.562 nan 8.240 nan 0.000 0.526 340 V N 0.186 120.124 119.914 0.039 0.000 3.040 340 V HA 0.593 4.713 4.120 -0.001 0.000 0.312 340 V C -1.649 174.468 176.094 0.039 0.000 1.115 340 V CA -0.829 61.487 62.300 0.027 0.000 0.998 340 V CB 2.267 34.136 31.823 0.076 0.000 1.042 340 V HN 1.059 nan 8.190 nan 0.000 0.433 341 Q N 3.224 123.032 119.800 0.013 0.000 2.330 341 Q HA 0.736 5.075 4.340 -0.001 0.000 0.269 341 Q C -1.567 174.566 176.000 0.223 0.000 1.022 341 Q CA -0.643 55.232 55.803 0.119 0.000 0.796 341 Q CB 2.537 31.359 28.738 0.140 0.000 1.271 341 Q HN 0.564 nan 8.270 nan 0.000 0.450 342 V N 2.991 123.001 119.914 0.159 0.000 2.823 342 V HA 0.756 4.876 4.120 -0.001 0.000 0.312 342 V C -0.771 175.351 176.094 0.047 0.000 1.072 342 V CA -0.899 61.368 62.300 -0.055 0.000 0.937 342 V CB 1.399 32.862 31.823 -0.599 0.000 1.013 342 V HN 0.778 nan 8.190 nan 0.000 0.430 343 F N 0.312 120.098 119.950 -0.273 0.000 2.703 343 F HA 0.728 5.254 4.527 -0.001 0.000 0.308 343 F C -0.903 174.683 175.800 -0.356 0.000 1.126 343 F CA -0.628 57.231 58.000 -0.234 0.000 0.959 343 F CB 1.852 40.747 39.000 -0.176 0.000 1.297 343 F HN 0.462 nan 8.300 nan 0.000 0.441 344 T N 1.502 115.901 114.554 -0.259 0.000 2.786 344 T HA 0.275 4.625 4.350 -0.001 0.000 0.283 344 T C -1.158 173.337 174.700 -0.343 0.000 0.992 344 T CA -0.383 61.403 62.100 -0.522 0.000 0.954 344 T CB 0.583 69.020 68.868 -0.718 0.000 0.934 344 T HN 0.824 nan 8.240 nan 0.000 0.440 345 D N 3.598 123.711 120.400 -0.479 0.000 2.441 345 D HA 0.221 4.861 4.640 -0.001 0.000 0.243 345 D C 0.821 176.867 176.300 -0.422 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 2.294 117.804 115.700 -0.318 0.000 2.503 346 S HA 0.002 4.472 4.470 -0.001 0.000 0.215 346 S C 1.322 175.681 174.600 -0.402 0.000 1.003 346 S CA -0.077 57.885 58.200 -0.397 0.000 0.910 346 S CB 0.209 63.338 63.200 -0.119 0.000 0.790 346 S HN 0.544 nan 8.310 nan 0.000 0.514 347 E N 0.459 120.548 120.200 -0.185 0.000 2.489 347 E HA 0.084 4.434 4.350 -0.001 0.000 0.193 347 E C -0.814 175.838 176.600 0.086 0.000 1.057 347 E CA -0.193 56.196 56.400 -0.019 0.000 0.866 347 E CB -0.125 29.596 29.700 0.034 0.000 0.916 347 E HN 0.544 nan 8.360 nan 0.000 0.500 348 Y N 0.389 120.707 120.300 0.029 0.000 3.078 348 Y HA -0.302 4.247 4.550 -0.001 0.000 0.202 348 Y C 1.058 176.946 175.900 -0.020 0.000 1.322 348 Y CA 0.325 58.427 58.100 0.003 0.000 1.118 348 Y CB -2.261 36.201 38.460 0.004 0.000 1.343 348 Y HN 0.206 nan 8.280 nan 0.000 0.499 349 Q N -0.249 119.592 119.800 0.069 0.000 2.378 349 Q HA 0.265 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 0.091 55.907 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 -0.250 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 -2.318 52.246 54.840 -0.461 0.000 0.805 350 L CB 0.890 42.615 42.059 -0.557 0.000 1.174 350 L HN -0.168 nan 8.230 nan 0.000 0.434 351 P HA -0.142 nan 4.420 nan 0.000 0.258 351 P C -1.039 176.318 177.300 0.096 0.000 1.172 351 P CA 0.232 63.336 63.100 0.006 0.000 0.762 351 P CB -0.022 31.717 31.700 0.065 0.000 0.764 352 Y N 3.960 124.269 120.300 0.016 0.000 2.531 352 Y HA 0.115 4.664 4.550 -0.001 0.000 0.347 352 Y C 1.290 177.195 175.900 0.007 0.000 1.024 352 Y CA 0.409 58.521 58.100 0.021 0.000 1.306 352 Y CB 0.451 38.944 38.460 0.055 0.000 1.149 352 Y HN 0.155 nan 8.280 nan 0.000 0.527 353 V N 6.997 126.745 119.914 -0.275 0.000 3.621 353 V HA 0.158 4.278 4.120 -0.001 0.000 0.285 353 V C 0.456 176.361 176.094 -0.317 0.000 1.346 353 V CA 0.218 62.363 62.300 -0.259 0.000 1.104 353 V CB -0.470 31.124 31.823 -0.382 0.000 0.913 353 V HN 0.581 nan 8.190 nan 0.000 0.432 354 L N 0.115 121.031 121.223 -0.513 0.000 2.468 354 L HA 0.569 4.908 4.340 -0.001 0.000 0.254 354 L C 1.460 178.285 176.870 -0.075 0.000 1.171 354 L CA 0.513 55.137 54.840 -0.361 0.000 0.809 354 L CB 0.222 41.966 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 0.383 175.290 174.900 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 -0.548 115.175 115.700 0.038 0.000 2.855 356 S HA 0.587 5.056 4.470 -0.001 0.000 0.249 356 S C 1.454 175.976 174.600 -0.130 0.000 1.033 356 S CA 1.026 59.238 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 1.510 124.290 122.820 -0.068 0.000 2.861 357 A HA -0.214 4.105 4.320 -0.001 0.000 0.261 357 A C 0.331 177.862 177.584 -0.089 0.000 1.351 357 A CA 0.883 52.880 52.037 -0.068 0.000 0.904 357 A CB -2.280 16.674 19.000 -0.077 0.000 1.076 357 A HN 0.674 nan 8.150 nan 0.000 0.729 358 H N 0.095 119.160 119.070 -0.008 0.000 2.745 358 H HA 0.297 4.853 4.556 -0.001 0.000 0.373 358 H C 0.945 176.293 175.328 0.034 0.000 1.226 358 H CA 0.856 56.912 56.048 0.014 0.000 1.435 358 H CB 0.364 30.141 29.762 0.024 0.000 1.461 358 H HN 0.741 nan 8.280 nan 0.000 0.616 359 Q N -0.873 119.039 119.800 0.186 0.000 2.180 359 Q HA 0.414 4.754 4.340 -0.001 0.000 0.241 359 Q C 0.582 176.644 176.000 0.103 0.000 0.970 359 Q CA -0.293 55.584 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 0.221 175.098 174.900 -0.040 0.000 1.007 360 G CA -0.371 44.750 45.100 0.035 0.000 0.672 360 G HN 0.608 nan 8.290 nan 0.000 0.507 361 C N 0.263 119.543 119.300 -0.033 0.000 2.827 361 C HA 0.557 5.017 4.460 -0.001 0.000 0.287 361 C C 1.610 176.424 174.990 -0.294 0.000 1.497 361 C CA -0.343 58.618 59.018 -0.095 0.000 2.161 361 C CB -0.328 27.387 27.740 -0.042 0.000 2.120 361 C HN 0.494 nan 8.230 nan 0.000 0.676 362 L N 2.148 123.220 121.223 -0.252 0.000 2.380 362 L HA 0.260 4.600 4.340 -0.001 0.000 0.273 362 L C -2.116 174.720 176.870 -0.057 0.000 1.138 362 L CA -1.240 53.394 54.840 -0.344 0.000 0.832 362 L CB 0.030 41.989 42.059 -0.165 0.000 1.124 362 L HN 0.391 nan 8.230 nan 0.000 0.454 363 P HA 0.037 nan 4.420 nan 0.000 0.265 363 P C -2.062 175.337 177.300 0.166 0.000 1.193 363 P CA -0.902 62.285 63.100 0.146 0.000 0.765 363 P CB 0.207 32.026 31.700 0.198 0.000 0.823 364 P HA -0.140 nan 4.420 nan 0.000 0.215 364 P C 0.257 177.538 177.300 -0.032 0.000 1.157 364 P CA 1.162 64.325 63.100 0.106 0.000 0.868 364 P CB -0.046 31.591 31.700 -0.106 0.000 0.788 365 F N 0.108 119.863 119.950 -0.326 0.000 2.420 365 F HA 0.246 4.773 4.527 -0.001 0.000 0.352 365 F C -1.629 174.124 175.800 -0.078 0.000 1.108 365 F CA -2.866 54.891 58.000 -0.405 0.000 1.162 365 F CB 0.791 39.482 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 1.026 178.294 177.300 -0.054 0.000 1.148 366 P CA 1.923 64.919 63.100 -0.174 0.000 0.822 366 P CB 0.061 31.652 31.700 -0.182 0.000 0.784 367 A N -1.139 121.490 122.820 -0.318 0.000 2.119 367 A HA -0.058 4.261 4.320 -0.001 0.000 0.217 367 A C 0.760 178.450 177.584 0.176 0.000 1.153 367 A CA 0.775 52.802 52.037 -0.017 0.000 0.692 367 A CB -1.013 18.036 19.000 0.081 0.000 0.799 367 A HN 0.111 nan 8.150 nan 0.000 0.458 368 D N -0.422 120.130 120.400 0.254 0.000 2.345 368 D HA 0.417 5.056 4.640 -0.001 0.000 0.247 368 D C -0.207 176.249 176.300 0.260 0.000 1.108 368 D CA 0.164 54.320 54.000 0.262 0.000 0.894 368 D CB 1.394 42.364 40.800 0.283 0.000 1.203 368 D HN -0.015 nan 8.370 nan 0.000 0.430 369 V N 2.505 122.551 119.914 0.220 0.000 2.612 369 V HA 0.561 4.680 4.120 -0.001 0.000 0.301 369 V C -0.131 176.125 176.094 0.271 0.000 1.046 369 V CA -0.745 61.679 62.300 0.208 0.000 0.946 369 V CB 0.959 32.831 31.823 0.082 0.000 1.003 369 V HN 0.446 nan 8.190 nan 0.000 0.459 370 F N 1.925 121.960 119.950 0.141 0.000 2.593 370 F HA 0.787 5.314 4.527 -0.001 0.000 0.320 370 F C -0.528 175.350 175.800 0.132 0.000 1.060 370 F CA -1.330 56.749 58.000 0.132 0.000 0.940 370 F CB 1.989 41.078 39.000 0.149 0.000 1.268 370 F HN 0.475 nan 8.300 nan 0.000 0.475 371 M N 3.554 123.252 119.600 0.163 0.000 2.209 371 M HA 0.507 4.986 4.480 -0.001 0.000 0.355 371 M C -1.338 175.045 176.300 0.138 0.000 1.171 371 M CA -0.850 54.482 55.300 0.053 0.000 1.069 371 M CB 1.458 34.103 32.600 0.074 0.000 1.622 371 M HN 0.620 nan 8.290 nan 0.000 0.459 372 V N 8.281 128.195 119.914 0.000 0.000 2.439 372 V HA 0.192 4.312 4.120 -0.001 0.000 0.271 372 V C -1.995 174.025 176.094 -0.122 0.000 1.040 372 V CA -1.158 61.084 62.300 -0.096 0.000 1.002 372 V CB 0.149 31.763 31.823 -0.349 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 -0.566 176.336 177.300 -0.663 0.000 1.238 373 P CA -0.163 62.652 63.100 -0.476 0.000 0.794 373 P CB 0.482 31.713 31.700 -0.783 0.000 0.959 374 Q N 0.224 119.640 119.800 -0.640 0.000 2.266 374 Q HA 0.286 4.626 4.340 -0.001 0.000 0.261 374 Q C -1.407 174.598 176.000 0.009 0.000 0.985 374 Q CA -0.828 54.550 55.803 -0.707 0.000 0.873 374 Q CB 0.682 28.703 28.738 -1.194 0.000 1.306 374 Q HN 0.361 nan 8.270 nan 0.000 0.447 375 Y N 1.361 121.671 120.300 0.017 0.000 2.336 375 Y HA 0.553 5.102 4.550 -0.001 0.000 0.335 375 Y C -0.289 175.652 175.900 0.069 0.000 1.046 375 Y CA 0.258 58.409 58.100 0.086 0.000 1.198 375 Y CB 1.148 39.660 38.460 0.087 0.000 1.182 375 Y HN 0.625 nan 8.280 nan 0.000 0.502 376 G N 5.809 114.309 108.800 -0.500 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 -0.344 0.000 1.029 376 G HN 0.740 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 5.388 4.550 -0.001 0.000 0.343 377 Y C -0.924 175.002 175.900 0.043 0.000 1.036 377 Y CA -1.636 56.363 58.100 -0.169 0.000 1.065 377 Y CB 1.590 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 1.392 122.733 121.223 0.196 0.000 2.304 378 L HA 0.838 5.178 4.340 -0.001 0.000 0.268 378 L C -0.441 176.623 176.870 0.323 0.000 1.010 378 L CA -0.744 54.208 54.840 0.186 0.000 0.813 378 L CB 2.479 44.642 42.059 0.172 0.000 1.315 378 L HN 0.938 nan 8.230 nan 0.000 0.445 379 T N 0.004 114.742 114.554 0.307 0.000 2.812 379 T HA 0.356 4.706 4.350 -0.001 0.000 0.294 379 T C -1.045 173.821 174.700 0.277 0.000 1.159 379 T CA -0.714 61.590 62.100 0.340 0.000 1.008 379 T CB 1.601 70.723 68.868 0.422 0.000 1.289 379 T HN 0.222 nan 8.240 nan 0.000 0.514 380 L N 3.323 124.684 121.223 0.229 0.000 2.540 380 L HA 0.354 4.693 4.340 -0.001 0.000 0.276 380 L C -0.089 176.864 176.870 0.138 0.000 1.212 380 L CA 0.386 55.324 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 1.697 120.460 118.700 0.105 0.000 2.329 381 N HA 0.336 5.075 4.740 -0.001 0.000 0.282 381 N C -1.272 174.241 175.510 0.005 0.000 1.198 381 N CA -0.802 52.273 53.050 0.043 0.000 0.790 381 N CB 0.952 39.509 38.487 0.117 0.000 1.579 381 N HN 0.422 nan 8.380 nan 0.000 0.475 382 N N 0.833 119.494 118.700 -0.065 0.000 3.044 382 N HA 0.392 5.132 4.740 -0.001 0.000 0.254 382 N C 0.553 175.984 175.510 -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 1.835 110.549 108.800 -0.143 0.000 2.527 383 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.262 383 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.262 383 G C 0.828 175.508 174.900 -0.366 0.000 1.153 383 G CA 0.497 45.359 45.100 -0.397 0.000 0.954 383 G HN 0.719 nan 8.290 nan 0.000 0.552 384 S N 0.387 115.837 115.700 -0.417 0.000 2.496 384 S HA 0.287 4.757 4.470 -0.001 0.000 0.224 384 S C 1.107 175.630 174.600 -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 63.330 63.200 -0.056 0.000 0.774 384 S HN 0.769 nan 8.310 nan 0.000 0.524 385 Q N 0.489 120.168 119.800 -0.202 0.000 2.185 385 Q HA 0.749 5.089 4.340 -0.001 0.000 0.225 385 Q C -0.462 175.291 176.000 -0.411 0.000 0.983 385 Q CA -0.513 55.116 55.803 -0.290 0.000 0.950 385 Q CB 1.327 29.933 28.738 -0.220 0.000 1.176 385 Q HN 0.472 nan 8.270 nan 0.000 0.510 386 A N 0.304 122.765 122.820 -0.599 0.000 2.350 386 A HA 0.694 5.014 4.320 -0.001 0.000 0.318 386 A C -0.790 176.623 177.584 -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 -1.097 0.000 1.313 386 A HN 0.443 nan 8.150 nan 0.000 0.454 387 V N 0.068 119.889 119.914 -0.154 0.000 3.109 387 V HA 0.495 4.614 4.120 -0.001 0.000 0.317 387 V C 1.751 177.812 176.094 -0.055 0.000 1.074 387 V CA 0.299 62.552 62.300 -0.080 0.000 1.033 387 V CB 1.315 33.122 31.823 -0.028 0.000 1.111 387 V HN 1.163 nan 8.190 nan 0.000 0.458 388 G N 0.325 109.105 108.800 -0.033 0.000 2.471 388 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.219 388 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.219 388 G C 1.261 176.168 174.900 0.011 0.000 1.125 388 G CA 0.162 45.254 45.100 -0.014 0.000 0.775 388 G HN 0.653 nan 8.290 nan 0.000 0.548 389 R N 0.515 121.027 120.500 0.020 0.000 2.310 389 R HA 0.188 4.528 4.340 -0.001 0.000 0.202 389 R C 0.591 176.931 176.300 0.066 0.000 0.933 389 R CA -0.178 55.947 56.100 0.041 0.000 1.054 389 R CB 0.164 30.490 30.300 0.043 0.000 0.985 389 R HN 0.181 nan 8.270 nan 0.000 0.489 390 S N 0.387 116.132 115.700 0.074 0.000 2.589 390 S HA 0.150 4.620 4.470 -0.001 0.000 0.265 390 S C 0.173 174.845 174.600 0.119 0.000 1.342 390 S CA -0.044 58.236 58.200 0.134 0.000 1.005 390 S CB 1.293 64.598 63.200 0.175 0.000 0.909 390 S HN 0.048 nan 8.310 nan 0.000 0.555 391 S N 1.209 116.986 115.700 0.129 0.000 2.532 391 S HA 0.538 5.008 4.470 -0.001 0.000 0.299 391 S C -1.179 173.323 174.600 -0.162 0.000 1.105 391 S CA -0.575 57.566 58.200 -0.098 0.000 1.018 391 S CB 0.869 63.930 63.200 -0.231 0.000 1.021 391 S HN 0.527 nan 8.310 nan 0.000 0.483 392 F N 3.884 123.570 119.950 -0.439 0.000 2.427 392 F HA 0.620 5.146 4.527 -0.001 0.000 0.346 392 F C -1.537 173.940 175.800 -0.538 0.000 1.120 392 F CA -1.252 56.462 58.000 -0.476 0.000 1.033 392 F CB 0.450 39.191 39.000 -0.432 0.000 1.126 392 F HN 0.548 nan 8.300 nan 0.000 0.462 393 Y N 5.224 125.186 120.300 -0.563 0.000 2.341 393 Y HA 0.457 5.007 4.550 -0.001 0.000 0.338 393 Y C -0.283 175.142 175.900 -0.791 0.000 0.965 393 Y CA -0.954 56.798 58.100 -0.581 0.000 1.108 393 Y CB 1.671 39.876 38.460 -0.426 0.000 1.180 393 Y HN 0.721 nan 8.280 nan 0.000 0.458 394 C N 5.955 124.953 119.300 -0.503 0.000 2.281 394 C HA 0.406 4.866 4.460 -0.001 0.000 0.323 394 C C 0.823 175.823 174.990 0.017 0.000 1.270 394 C CA -0.731 58.004 59.018 -0.472 0.000 1.559 394 C CB -0.970 26.470 27.740 -0.501 0.000 2.239 394 C HN 0.976 nan 8.230 nan 0.000 0.488 395 L N 4.390 125.691 121.223 0.130 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 0.062 0.000 1.156 395 L CA 1.299 56.099 54.840 -0.068 0.000 0.866 395 L CB -0.467 41.178 42.059 -0.689 0.000 0.980 395 L HN 0.688 nan 8.230 nan 0.000 0.448 396 E N -1.645 118.745 120.200 0.317 0.000 2.371 396 E HA -0.133 4.216 4.350 -0.001 0.000 0.194 396 E C 1.346 178.041 176.600 0.159 0.000 1.012 396 E CA 0.515 57.106 56.400 0.319 0.000 0.860 396 E CB -0.088 29.829 29.700 0.362 0.000 0.811 396 E HN 0.548 nan 8.360 nan 0.000 0.502 397 Y N -0.075 120.217 120.300 -0.014 0.000 2.477 397 Y HA 0.080 4.629 4.550 -0.001 0.000 0.303 397 Y C -0.298 175.391 175.900 -0.353 0.000 1.202 397 Y CA -0.136 57.870 58.100 -0.156 0.000 1.282 397 Y CB -0.032 38.309 38.460 -0.199 0.000 1.071 397 Y HN -0.229 nan 8.280 nan 0.000 0.510 398 F N 1.340 121.034 119.950 -0.426 0.000 2.436 398 F HA 0.413 4.940 4.527 -0.001 0.000 0.340 398 F C -2.056 173.376 175.800 -0.612 0.000 1.113 398 F CA -3.115 54.475 58.000 -0.682 0.000 1.022 398 F CB 0.751 38.955 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 -0.002 62.989 63.100 -0.182 0.000 0.763 399 P CB 0.538 32.158 31.700 -0.134 0.000 0.790 400 S N 1.833 117.522 115.700 -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 65.046 63.200 0.274 0.000 1.070 400 S HN 0.431 nan 8.310 nan 0.000 0.480 401 Q N 1.966 121.892 119.800 0.210 0.000 2.294 401 Q HA 0.413 4.752 4.340 -0.001 0.000 0.257 401 Q C -1.002 175.102 176.000 0.172 0.000 0.955 401 Q CA -0.267 55.654 55.803 0.197 0.000 0.936 401 Q CB 0.581 29.491 28.738 0.286 0.000 1.188 401 Q HN 0.747 nan 8.270 nan 0.000 0.420 402 M N 4.301 123.981 119.600 0.133 0.000 2.209 402 M HA 0.338 4.818 4.480 -0.001 0.000 0.355 402 M C -1.179 175.186 176.300 0.108 0.000 1.171 402 M CA -0.674 54.690 55.300 0.107 0.000 1.069 402 M CB 0.976 33.622 32.600 0.076 0.000 1.622 402 M HN 0.445 nan 8.290 nan 0.000 0.459 403 L N 2.655 123.942 121.223 0.106 0.000 2.362 403 L HA 0.604 4.944 4.340 -0.001 0.000 0.275 403 L C -0.177 176.747 176.870 0.090 0.000 0.998 403 L CA -0.356 54.553 54.840 0.115 0.000 0.820 403 L CB 1.761 43.912 42.059 0.154 0.000 1.270 403 L HN 0.596 nan 8.230 nan 0.000 0.415 404 R N -0.102 120.446 120.500 0.079 0.000 2.606 404 R HA 0.651 4.991 4.340 -0.001 0.000 0.249 404 R C -0.526 175.815 176.300 0.069 0.000 1.127 404 R CA -0.539 55.597 56.100 0.060 0.000 1.133 404 R CB 1.022 31.350 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 0.786 175.521 174.700 0.058 0.000 0.942 405 T CA 0.952 63.082 62.100 0.051 0.000 1.161 405 T CB 0.523 69.406 68.868 0.026 0.000 0.885 405 T HN 0.785 nan 8.240 nan 0.000 0.534 406 G N 3.553 112.400 108.800 0.079 0.000 2.211 406 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.201 406 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.201 406 G C 0.018 174.974 174.900 0.094 0.000 0.997 406 G CA -0.794 44.353 45.100 0.079 0.000 0.652 406 G HN 0.601 nan 8.290 nan 0.000 0.500 407 N N 1.654 120.419 118.700 0.109 0.000 2.508 407 N HA 0.598 5.337 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 -0.343 118.469 118.700 0.186 0.000 2.455 408 N HA 0.439 5.179 4.740 -0.001 0.000 0.278 408 N C -1.758 173.923 175.510 0.285 0.000 1.291 408 N CA -0.583 52.615 53.050 0.245 0.000 0.780 408 N CB 1.330 39.943 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 -0.693 175.208 175.800 0.167 0.000 1.103 409 F CA -0.455 57.639 58.000 0.157 0.000 0.926 409 F CB 2.033 41.138 39.000 0.176 0.000 1.154 409 F HN 0.569 nan 8.300 nan 0.000 0.453 410 Q N 5.107 124.538 119.800 -0.614 0.000 2.375 410 Q HA 0.613 4.952 4.340 -0.001 0.000 0.271 410 Q C -2.097 173.674 176.000 -0.381 0.000 1.074 410 Q CA -0.609 54.993 55.803 -0.335 0.000 0.808 410 Q CB 2.168 30.789 28.738 -0.194 0.000 1.327 410 Q HN 0.679 nan 8.270 nan 0.000 0.441 411 F N 1.047 120.866 119.950 -0.219 0.000 2.622 411 F HA 0.600 5.127 4.527 -0.001 0.000 0.318 411 F C -1.528 174.263 175.800 -0.017 0.000 1.135 411 F CA -0.251 57.679 58.000 -0.116 0.000 1.015 411 F CB 1.683 40.686 39.000 0.005 0.000 1.275 411 F HN 0.484 nan 8.300 nan 0.000 0.457 412 S N 5.172 120.364 115.700 -0.847 0.000 2.500 412 S HA 0.561 5.031 4.470 -0.001 0.000 0.301 412 S C -1.894 172.185 174.600 -0.868 0.000 1.092 412 S CA -0.555 57.244 58.200 -0.669 0.000 1.030 412 S CB 1.666 64.643 63.200 -0.372 0.000 1.031 412 S HN 0.623 nan 8.310 nan 0.000 0.483 413 Y N 1.352 121.224 120.300 -0.714 0.000 2.545 413 Y HA 0.638 5.188 4.550 -0.001 0.000 0.348 413 Y C -0.959 174.673 175.900 -0.446 0.000 1.002 413 Y CA -0.470 57.277 58.100 -0.589 0.000 1.039 413 Y CB 1.801 39.957 38.460 -0.507 0.000 1.271 413 Y HN 0.522 nan 8.280 nan 0.000 0.467 414 T N 6.315 120.094 114.554 -1.291 0.000 2.864 414 T HA 0.380 4.729 4.350 -0.001 0.000 0.299 414 T C -0.876 173.111 174.700 -1.189 0.000 1.011 414 T CA -0.431 61.098 62.100 -0.951 0.000 0.975 414 T CB -0.090 68.469 68.868 -0.515 0.000 0.962 414 T HN 0.453 nan 8.240 nan 0.000 0.448 415 F N 2.973 122.470 119.950 -0.755 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 -0.314 0.000 1.147 415 F CA -0.197 57.546 58.000 -0.428 0.000 1.341 415 F CB 0.603 39.436 39.000 -0.278 0.000 1.104 415 F HN 0.563 nan 8.300 nan 0.000 0.603 416 E N 0.653 120.864 120.200 0.018 0.000 2.622 416 E HA 0.176 4.525 4.350 -0.001 0.000 0.255 416 E C -1.186 175.395 176.600 -0.031 0.000 1.313 416 E CA -0.981 55.409 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 0.122 54.089 54.000 -0.055 0.000 0.886 417 D CB 1.196 41.977 40.800 -0.032 0.000 1.120 417 D HN 0.230 nan 8.370 nan 0.000 0.482 418 V N 4.565 124.419 119.914 -0.099 0.000 2.668 418 V HA 0.397 4.516 4.120 -0.001 0.000 0.304 418 V C -2.560 173.499 176.094 -0.058 0.000 1.071 418 V CA -2.217 60.053 62.300 -0.050 0.000 0.894 418 V CB 2.154 33.960 31.823 -0.029 0.000 1.008 418 V HN 0.342 nan 8.190 nan 0.000 0.425 419 P HA 0.076 nan 4.420 nan 0.000 0.263 419 P C -0.437 176.995 177.300 0.219 0.000 1.175 419 P CA 0.398 63.580 63.100 0.137 0.000 0.761 419 P CB 0.007 31.790 31.700 0.138 0.000 0.794 420 F N 1.345 121.387 119.950 0.154 0.000 2.628 420 F HA -0.016 4.511 4.527 -0.001 0.000 0.362 420 F C 1.751 177.665 175.800 0.191 0.000 1.148 420 F CA 0.656 58.766 58.000 0.184 0.000 1.352 420 F CB -0.094 38.990 39.000 0.139 0.000 1.081 420 F HN 0.430 nan 8.300 nan 0.000 0.605 421 H N 0.647 119.822 119.070 0.175 0.000 2.607 421 H HA 0.259 4.815 4.556 -0.001 0.000 0.367 421 H C -0.382 174.951 175.328 0.009 0.000 1.181 421 H CA -0.556 55.441 56.048 -0.086 0.000 1.402 421 H CB 0.761 30.230 29.762 -0.487 0.000 1.474 421 H HN 0.449 nan 8.280 nan 0.000 0.596 422 S N 2.753 117.842 115.700 -1.018 0.000 2.681 422 S HA 0.065 4.535 4.470 -0.001 0.000 0.313 422 S C 0.200 174.382 174.600 -0.697 0.000 1.137 422 S CA -0.367 57.349 58.200 -0.806 0.000 1.045 422 S CB 0.052 62.632 63.200 -1.033 0.000 1.208 422 S HN 0.596 nan 8.310 nan 0.000 0.523 423 S N 2.735 118.373 115.700 -0.104 0.000 2.763 423 S HA 0.202 4.671 4.470 -0.001 0.000 0.237 423 S C -0.065 174.593 174.600 0.097 0.000 0.966 423 S CA -0.444 57.813 58.200 0.095 0.000 1.017 423 S CB -0.592 62.785 63.200 0.294 0.000 0.780 423 S HN 0.803 nan 8.310 nan 0.000 0.476 424 Y N -1.584 118.597 120.300 -0.198 0.000 2.638 424 Y HA 0.886 5.435 4.550 -0.001 0.000 0.339 424 Y C -0.767 174.916 175.900 -0.361 0.000 1.084 424 Y CA -1.944 55.965 58.100 -0.317 0.000 1.068 424 Y CB 0.780 38.835 38.460 -0.675 0.000 1.294 424 Y HN -0.066 nan 8.280 nan 0.000 0.480 425 A N 1.248 123.934 122.820 -0.223 0.000 2.422 425 A HA 0.523 4.843 4.320 -0.001 0.000 0.302 425 A C -1.543 175.927 177.584 -0.191 0.000 1.041 425 A CA -0.909 50.957 52.037 -0.284 0.000 0.708 425 A CB 0.705 19.616 19.000 -0.150 0.000 1.257 425 A HN 0.862 nan 8.150 nan 0.000 0.414 426 H N 1.990 121.057 119.070 -0.005 0.000 2.803 426 H HA 0.127 4.682 4.556 -0.001 0.000 0.330 426 H C 1.250 176.573 175.328 -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 2.031 117.793 115.700 0.103 0.000 2.528 427 S HA 0.027 4.497 4.470 -0.001 0.000 0.219 427 S C 0.677 175.314 174.600 0.062 0.000 0.985 427 S CA -0.093 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 0.658 120.499 119.800 0.068 0.000 2.252 428 Q HA 0.657 4.996 4.340 -0.001 0.000 0.256 428 Q C -0.856 175.153 176.000 0.014 0.000 1.020 428 Q CA -0.628 55.193 55.803 0.031 0.000 0.913 428 Q CB 1.853 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 -0.466 115.230 115.700 -0.007 0.000 2.638 429 S HA 0.380 4.850 4.470 -0.001 0.000 0.302 429 S C 0.713 175.294 174.600 -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 1.453 122.656 121.223 -0.034 0.000 2.017 430 L HA -0.077 4.263 4.340 -0.001 0.000 0.208 430 L C 2.018 178.900 176.870 0.020 0.000 1.073 430 L CA 1.887 56.723 54.840 -0.007 0.000 0.745 430 L CB -0.342 41.722 42.059 0.007 0.000 0.894 430 L HN 0.827 nan 8.230 nan 0.000 0.432 431 D N -1.167 119.233 120.400 -0.000 0.000 2.289 431 D HA -0.123 4.517 4.640 -0.001 0.000 0.207 431 D C 0.949 177.241 176.300 -0.012 0.000 0.966 431 D CA 0.384 54.379 54.000 -0.009 0.000 0.868 431 D CB -0.066 40.718 40.800 -0.027 0.000 0.943 431 D HN 0.167 nan 8.370 nan 0.000 0.514 432 R N 0.978 121.473 120.500 -0.009 0.000 3.863 432 R HA 0.229 4.569 4.340 -0.001 0.000 0.304 432 R C 0.729 177.029 176.300 -0.001 0.000 1.485 432 R CA -0.258 55.838 56.100 -0.008 0.000 1.355 432 R CB 0.342 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 0.410 121.637 121.223 0.006 0.000 2.575 433 L HA 0.197 4.537 4.340 -0.001 0.000 0.228 433 L C 0.440 177.319 176.870 0.015 0.000 1.075 433 L CA 0.762 55.612 54.840 0.016 0.000 0.867 433 L CB 0.156 42.242 42.059 0.044 0.000 1.097 433 L HN 0.158 nan 8.230 nan 0.000 0.485 434 M N -0.717 118.884 119.600 0.002 0.000 1.801 434 M HA 0.215 4.695 4.480 -0.001 0.000 0.198 434 M C 0.444 176.738 176.300 -0.010 0.000 1.248 434 M CA -0.055 55.239 55.300 -0.009 0.000 0.893 434 M CB -0.817 31.764 32.600 -0.032 0.000 1.199 434 M HN -0.135 nan 8.290 nan 0.000 0.482 435 N N 0.478 119.168 118.700 -0.017 0.000 2.422 435 N HA 0.347 5.087 4.740 -0.001 0.000 0.266 435 N C -2.212 173.289 175.510 -0.015 0.000 1.007 435 N CA -1.678 51.365 53.050 -0.012 0.000 0.941 435 N CB 1.052 39.534 38.487 -0.009 0.000 1.115 435 N HN 0.325 nan 8.380 nan 0.000 0.492 436 P HA -0.011 nan 4.420 nan 0.000 0.225 436 P C 0.903 178.197 177.300 -0.009 0.000 1.148 436 P CA 0.644 63.737 63.100 -0.010 0.000 0.779 436 P CB 0.552 32.249 31.700 -0.006 0.000 0.780 437 L N -2.040 119.179 121.223 -0.007 0.000 2.316 437 L HA 0.126 4.466 4.340 -0.001 0.000 0.207 437 L C 1.085 177.952 176.870 -0.004 0.000 1.070 437 L CA 0.758 55.596 54.840 -0.005 0.000 0.820 437 L CB -0.423 41.635 42.059 -0.002 0.000 0.992 437 L HN -0.139 nan 8.230 nan 0.000 0.466 438 I N -0.412 120.153 120.570 -0.007 0.000 2.577 438 I HA 0.282 4.452 4.170 -0.001 0.000 0.305 438 I C -0.512 175.593 176.117 -0.020 0.000 0.986 438 I CA -0.833 60.464 61.300 -0.006 0.000 1.189 438 I CB 1.008 39.008 38.000 0.001 0.000 1.355 438 I HN -0.019 nan 8.210 nan 0.000 0.476 439 D N 2.936 123.325 120.400 -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 -0.404 53.573 54.000 -0.039 0.000 0.929 439 D CB 0.770 41.552 40.800 -0.030 0.000 1.176 439 D HN 0.338 nan 8.370 nan 0.000 0.437 440 Q N 0.251 119.979 119.800 -0.120 0.000 2.417 440 Q HA 0.137 4.476 4.340 -0.001 0.000 0.241 440 Q C 0.174 176.065 176.000 -0.182 0.000 1.008 440 Q CA -0.234 55.434 55.803 -0.225 0.000 0.901 440 Q CB 0.636 29.225 28.738 -0.248 0.000 1.259 440 Q HN 0.676 nan 8.270 nan 0.000 0.489 441 Y N -0.844 119.422 120.300 -0.057 0.000 2.457 441 Y HA 0.368 4.917 4.550 -0.001 0.000 0.263 441 Y C -0.062 175.819 175.900 -0.031 0.000 1.164 441 Y CA -0.494 57.580 58.100 -0.043 0.000 1.274 441 Y CB 0.298 38.763 38.460 0.010 0.000 1.097 441 Y HN 0.249 nan 8.280 nan 0.000 0.523 442 L N 0.910 122.098 121.223 -0.057 0.000 2.399 442 L HA 0.370 4.710 4.340 -0.001 0.000 0.265 442 L C -1.021 175.827 176.870 -0.036 0.000 1.089 442 L CA -0.945 53.933 54.840 0.063 0.000 0.802 442 L CB 0.937 42.986 42.059 -0.017 0.000 1.180 442 L HN 0.095 nan 8.230 nan 0.000 0.454 443 Y N 0.508 120.868 120.300 0.101 0.000 2.429 443 Y HA 0.461 5.010 4.550 -0.001 0.000 0.342 443 Y C -0.411 175.596 175.900 0.178 0.000 1.004 443 Y CA -0.574 57.582 58.100 0.093 0.000 1.075 443 Y CB 1.789 40.236 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 0.734 5.284 4.550 -0.001 0.000 0.343 444 Y C -1.701 174.403 175.900 0.339 0.000 1.036 444 Y CA -1.753 56.481 58.100 0.224 0.000 1.065 444 Y CB 1.162 39.683 38.460 0.103 0.000 1.288 444 Y HN 0.545 nan 8.280 nan 0.000 0.481 445 L N 2.887 124.318 121.223 0.347 0.000 2.276 445 L HA 0.403 4.743 4.340 -0.001 0.000 0.286 445 L C 0.007 176.929 176.870 0.087 0.000 1.061 445 L CA -0.164 54.742 54.840 0.109 0.000 0.807 445 L CB 0.880 42.977 42.059 0.063 0.000 1.177 445 L HN 1.070 nan 8.230 nan 0.000 0.429 446 N N 2.188 120.856 118.700 -0.054 0.000 2.145 446 N HA 0.173 4.913 4.740 -0.001 0.000 0.219 446 N C -0.487 175.008 175.510 -0.025 0.000 1.266 446 N CA -0.647 52.432 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 4.602 4.340 -0.001 0.000 0.300 447 R C -0.003 176.208 176.300 -0.148 0.000 0.984 447 R CA -0.311 55.725 56.100 -0.107 0.000 0.882 447 R CB 1.479 31.718 30.300 -0.103 0.000 1.180 447 R HN 0.269 nan 8.270 nan 0.000 0.444 448 T N -1.787 112.708 114.554 -0.098 0.000 3.034 448 T HA -0.044 4.305 4.350 -0.001 0.000 0.248 448 T C 1.222 175.876 174.700 -0.076 0.000 1.040 448 T CA 0.487 62.529 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 0.587 nan 8.240 nan 0.000 0.474 449 Q N 0.969 120.734 119.800 -0.059 0.000 2.534 449 Q HA 0.371 4.711 4.340 -0.001 0.000 0.207 449 Q C 1.598 177.573 176.000 -0.041 0.000 0.735 449 Q CA -0.012 55.764 55.803 -0.045 0.000 0.904 449 Q CB -0.567 28.152 28.738 -0.032 0.000 1.294 449 Q HN 0.294 nan 8.270 nan 0.000 0.553 450 G N 2.266 111.045 108.800 -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 0.767 45.850 45.100 -0.029 0.000 1.281 450 G HN 0.363 nan 8.290 nan 0.000 0.373 451 T N 0.952 115.489 114.554 -0.028 0.000 2.849 451 T HA 0.307 4.657 4.350 -0.001 0.000 0.272 451 T C 1.026 175.715 174.700 -0.019 0.000 1.046 451 T CA -0.525 61.559 62.100 -0.027 0.000 0.983 451 T CB 0.543 69.394 68.868 -0.027 0.000 1.721 451 T HN 0.164 nan 8.240 nan 0.000 0.594 452 T N 2.730 117.274 114.554 -0.016 0.000 4.216 452 T HA 0.106 4.456 4.350 -0.001 0.000 0.221 452 T C 0.456 175.150 174.700 -0.011 0.000 0.939 452 T CA 0.129 62.222 62.100 -0.011 0.000 1.218 452 T CB -0.788 68.074 68.868 -0.009 0.000 1.266 452 T HN 0.494 nan 8.240 nan 0.000 0.917 453 S N 1.948 117.641 115.700 -0.011 0.000 2.429 453 S HA 0.483 4.953 4.470 -0.001 0.000 0.292 453 S C 1.146 175.741 174.600 -0.008 0.000 1.183 453 S CA 0.179 58.372 58.200 -0.010 0.000 1.088 453 S CB -0.123 63.071 63.200 -0.011 0.000 1.018 453 S HN 0.843 nan 8.310 nan 0.000 0.511 454 G N 3.583 112.378 108.800 -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 -0.295 174.601 174.900 -0.006 0.000 1.261 454 G CA -0.220 44.876 45.100 -0.006 0.000 1.043 454 G HN 0.583 nan 8.290 nan 0.000 0.382 455 T N 2.282 116.833 114.554 -0.006 0.000 2.794 455 T HA 0.498 4.848 4.350 -0.001 0.000 0.280 455 T C 0.347 175.043 174.700 -0.007 0.000 0.987 455 T CA 0.611 62.707 62.100 -0.006 0.000 0.993 455 T CB 1.348 70.213 68.868 -0.005 0.000 0.939 455 T HN 0.608 nan 8.240 nan 0.000 0.449 456 T N 3.655 118.204 114.554 -0.007 0.000 3.760 456 T HA -0.171 4.179 4.350 -0.001 0.000 0.366 456 T C 0.148 174.842 174.700 -0.009 0.000 0.761 456 T CA 0.548 62.644 62.100 -0.007 0.000 1.887 456 T CB -1.211 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 1.412 176.914 175.510 -0.015 0.000 1.396 457 N CA -0.503 52.539 53.050 -0.013 0.000 0.823 457 N CB 1.292 39.771 38.487 -0.014 0.000 1.162 457 N HN 0.530 nan 8.380 nan 0.000 0.503 458 Q N 0.283 120.074 119.800 -0.015 0.000 1.984 458 Q HA 0.031 4.371 4.340 -0.001 0.000 0.196 458 Q C 0.252 176.240 176.000 -0.020 0.000 0.975 458 Q CA 0.921 56.715 55.803 -0.015 0.000 0.827 458 Q CB -0.198 28.532 28.738 -0.013 0.000 0.894 458 Q HN 0.320 nan 8.270 nan 0.000 0.438 459 S N -0.841 114.845 115.700 -0.023 0.000 2.550 459 S HA 0.761 5.230 4.470 -0.001 0.000 0.270 459 S C -1.031 173.546 174.600 -0.037 0.000 1.145 459 S CA -1.039 57.142 58.200 -0.031 0.000 0.852 459 S CB 3.072 66.254 63.200 -0.029 0.000 1.119 459 S HN 0.449 nan 8.310 nan 0.000 0.465 460 R N 1.066 121.533 120.500 -0.054 0.000 2.579 460 R HA 0.395 4.734 4.340 -0.001 0.000 0.260 460 R C -1.967 174.264 176.300 -0.115 0.000 1.103 460 R CA -0.751 55.310 56.100 -0.066 0.000 0.942 460 R CB 1.056 31.323 30.300 -0.055 0.000 1.251 460 R HN 0.806 nan 8.270 nan 0.000 0.450 461 L N 5.683 126.823 121.223 -0.137 0.000 2.325 461 L HA 0.394 4.733 4.340 -0.001 0.000 0.284 461 L C -0.469 176.140 176.870 -0.434 0.000 1.089 461 L CA -0.228 54.441 54.840 -0.284 0.000 0.836 461 L CB 0.595 42.532 42.059 -0.204 0.000 1.184 461 L HN 0.376 nan 8.230 nan 0.000 0.444 462 L N 4.127 125.013 121.223 -0.561 0.000 2.385 462 L HA 0.573 4.912 4.340 -0.001 0.000 0.273 462 L C -0.830 175.665 176.870 -0.624 0.000 0.990 462 L CA -0.420 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 0.279 120.185 119.950 -0.073 0.000 2.522 463 F HA 0.582 5.109 4.527 -0.001 0.000 0.324 463 F C 0.382 176.125 175.800 -0.095 0.000 1.077 463 F CA -0.584 57.355 58.000 -0.101 0.000 0.944 463 F CB 2.196 41.164 39.000 -0.054 0.000 1.175 463 F HN 0.261 nan 8.300 nan 0.000 0.468 464 S N 0.669 116.275 115.700 -0.156 0.000 2.536 464 S HA 0.321 4.791 4.470 -0.001 0.000 0.298 464 S C -1.024 173.385 174.600 -0.319 0.000 1.083 464 S CA -0.867 57.195 58.200 -0.230 0.000 0.995 464 S CB 1.823 64.788 63.200 -0.390 0.000 1.058 464 S HN 0.638 nan 8.310 nan 0.000 0.488 465 Q N 2.117 121.752 119.800 -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 -0.711 54.719 55.803 -0.622 0.000 0.919 465 Q CB 0.775 29.081 28.738 -0.721 0.000 1.185 465 Q HN 0.782 nan 8.270 nan 0.000 0.408 466 A N 3.397 126.255 122.820 0.063 0.000 2.565 466 A HA 0.460 4.780 4.320 -0.001 0.000 0.237 466 A C 0.329 177.914 177.584 0.002 0.000 1.053 466 A CA 0.774 52.892 52.037 0.134 0.000 0.755 466 A CB 0.092 19.086 19.000 -0.011 0.000 0.980 466 A HN 0.887 nan 8.150 nan 0.000 0.506 467 G N 1.085 109.895 108.800 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 -2.405 172.484 174.900 -0.018 0.000 1.364 467 G CA -1.027 44.069 45.100 -0.007 0.000 0.938 467 G HN 0.303 nan 8.290 nan 0.000 0.490 468 P HA -0.053 nan 4.420 nan 0.000 0.222 468 P C 1.511 178.803 177.300 -0.014 0.000 1.147 468 P CA 1.063 64.152 63.100 -0.018 0.000 0.790 468 P CB 0.309 32.002 31.700 -0.012 0.000 0.780 469 Q N -0.338 119.461 119.800 -0.003 0.000 2.096 469 Q HA -0.016 4.323 4.340 -0.001 0.000 0.197 469 Q C 1.080 177.081 176.000 0.002 0.000 0.964 469 Q CA 1.322 57.127 55.803 0.005 0.000 0.838 469 Q CB -0.468 28.280 28.738 0.016 0.000 0.906 469 Q HN 0.285 nan 8.270 nan 0.000 0.444 470 S N -0.021 115.682 115.700 0.005 0.000 3.983 470 S HA 0.218 4.687 4.470 -0.001 0.000 0.194 470 S C 0.838 175.386 174.600 -0.088 0.000 1.464 470 S CA -0.313 57.873 58.200 -0.023 0.000 1.021 470 S CB 0.147 63.367 63.200 0.032 0.000 1.424 470 S HN 0.221 nan 8.310 nan 0.000 0.473 471 M N 2.342 121.903 119.600 -0.065 0.000 2.156 471 M HA -0.060 4.419 4.480 -0.001 0.000 0.264 471 M C 1.821 178.065 176.300 -0.093 0.000 1.067 471 M CA 1.567 56.824 55.300 -0.071 0.000 1.131 471 M CB -0.062 32.511 32.600 -0.044 0.000 1.368 471 M HN 0.677 nan 8.290 nan 0.000 0.416 472 S N -0.734 114.910 115.700 -0.092 0.000 2.679 472 S HA 0.210 4.679 4.470 -0.001 0.000 0.233 472 S C 0.888 175.400 174.600 -0.146 0.000 0.951 472 S CA -0.295 57.846 58.200 -0.099 0.000 0.973 472 S CB -0.387 62.771 63.200 -0.071 0.000 0.778 472 S HN 0.567 nan 8.310 nan 0.000 0.477 473 L N -0.492 120.595 121.223 -0.226 0.000 2.993 473 L HA 0.310 4.650 4.340 -0.001 0.000 0.264 473 L C 0.655 177.223 176.870 -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 1.195 120.794 119.800 -0.335 0.000 2.432 474 Q HA 0.337 4.676 4.340 -0.001 0.000 0.264 474 Q C 0.507 176.391 176.000 -0.193 0.000 1.035 474 Q CA -0.100 55.546 55.803 -0.262 0.000 0.908 474 Q CB 0.974 29.610 28.738 -0.169 0.000 1.280 474 Q HN 0.273 nan 8.270 nan 0.000 0.455 475 A N 1.925 124.654 122.820 -0.151 0.000 2.520 475 A HA 0.194 4.514 4.320 -0.001 0.000 0.235 475 A C -0.040 177.474 177.584 -0.117 0.000 1.065 475 A CA 0.260 52.229 52.037 -0.114 0.000 0.764 475 A CB 0.304 19.245 19.000 -0.098 0.000 1.002 475 A HN 0.578 nan 8.150 nan 0.000 0.502 476 R N 0.336 120.770 120.500 -0.111 0.000 2.807 476 R HA 0.450 4.789 4.340 -0.001 0.000 0.276 476 R C 0.229 176.411 176.300 -0.197 0.000 0.979 476 R CA -0.618 55.415 56.100 -0.113 0.000 0.928 476 R CB 1.149 31.407 30.300 -0.069 0.000 1.191 476 R HN 0.735 nan 8.270 nan 0.000 0.471 477 N N 0.227 118.740 118.700 -0.312 0.000 2.250 477 N HA 0.163 4.903 4.740 -0.001 0.000 0.190 477 N C -1.023 173.878 175.510 -1.015 0.000 1.116 477 N CA 0.338 52.934 53.050 -0.756 0.000 0.881 477 N CB 0.457 38.334 38.487 -1.018 0.000 1.006 477 N HN 0.368 nan 8.380 nan 0.000 0.491 478 W N 0.082 121.382 121.300 -0.002 0.000 3.083 478 W HA 0.546 5.206 4.660 -0.001 0.000 0.333 478 W C -0.696 175.835 176.519 0.019 0.000 1.217 478 W CA -0.766 56.586 57.345 0.012 0.000 1.170 478 W CB 0.811 30.270 29.460 -0.001 0.000 1.437 478 W HN -0.371 nan 8.180 nan 0.000 0.557 479 L N 2.021 123.427 121.223 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 -0.115 177.343 177.300 0.264 0.000 1.256 480 P CA -0.372 62.828 63.100 0.168 0.000 0.795 480 P CB 0.442 32.191 31.700 0.083 0.000 1.038 481 G N 0.680 109.641 108.800 0.268 0.000 2.667 481 G HA2 0.306 4.266 3.960 -0.001 0.000 0.250 481 G HA3 0.306 4.266 3.960 -0.001 0.000 0.250 481 G C -2.280 172.685 174.900 0.108 0.000 1.212 481 G CA -0.931 44.317 45.100 0.245 0.000 0.874 481 G HN 0.363 nan 8.290 nan 0.000 0.561 482 P HA 0.208 nan 4.420 nan 0.000 0.273 482 P C 0.107 177.333 177.300 -0.123 0.000 1.258 482 P CA -0.028 62.944 63.100 -0.213 0.000 0.802 482 P CB 0.598 32.061 31.700 -0.395 0.000 1.040 483 C N -1.869 117.338 119.300 -0.154 0.000 3.285 483 C HA 0.706 5.165 4.460 -0.001 0.000 0.325 483 C C -1.720 173.295 174.990 0.040 0.000 1.304 483 C CA -0.721 58.277 59.018 -0.033 0.000 1.319 483 C CB 0.696 28.457 27.740 0.036 0.000 1.640 483 C HN 0.604 nan 8.230 nan 0.000 0.477 484 Y N 1.717 121.974 120.300 -0.070 0.000 2.379 484 Y HA 0.491 5.041 4.550 -0.001 0.000 0.342 484 Y C 0.339 176.225 175.900 -0.023 0.000 1.126 484 Y CA -0.327 57.740 58.100 -0.054 0.000 1.310 484 Y CB 0.513 38.947 38.460 -0.042 0.000 1.115 484 Y HN 1.055 nan 8.280 nan 0.000 0.505 485 R N 3.695 124.078 120.500 -0.195 0.000 2.500 485 R HA 0.017 4.357 4.340 -0.001 0.000 0.281 485 R C -0.476 175.746 176.300 -0.129 0.000 0.953 485 R CA 0.808 56.826 56.100 -0.137 0.000 1.108 485 R CB 0.494 30.701 30.300 -0.155 0.000 0.901 485 R HN 0.609 nan 8.270 nan 0.000 0.410 486 Q N 2.317 122.075 119.800 -0.070 0.000 2.297 486 Q HA 0.141 4.480 4.340 -0.001 0.000 0.268 486 Q C -0.829 175.109 176.000 -0.103 0.000 1.045 486 Q CA -0.940 54.810 55.803 -0.088 0.000 0.861 486 Q CB 1.833 30.516 28.738 -0.093 0.000 1.344 486 Q HN 0.515 nan 8.270 nan 0.000 0.452 487 Q N 1.230 120.964 119.800 -0.111 0.000 2.327 487 Q HA 0.139 4.479 4.340 -0.001 0.000 0.254 487 Q C -0.760 175.179 176.000 -0.103 0.000 0.952 487 Q CA 0.149 55.902 55.803 -0.083 0.000 0.884 487 Q CB 0.751 29.486 28.738 -0.005 0.000 1.224 487 Q HN 0.386 nan 8.270 nan 0.000 0.422 488 R N 3.131 123.572 120.500 -0.098 0.000 2.265 488 R HA 0.418 4.758 4.340 -0.001 0.000 0.314 488 R C -1.215 175.046 176.300 -0.066 0.000 1.053 488 R CA -0.383 55.655 56.100 -0.103 0.000 0.931 488 R CB 0.294 30.511 30.300 -0.139 0.000 1.024 488 R HN 0.530 nan 8.270 nan 0.000 0.457 489 L N 2.083 123.187 121.223 -0.199 0.000 2.354 489 L HA 0.429 4.768 4.340 -0.001 0.000 0.269 489 L C -0.234 176.601 176.870 -0.058 0.000 1.005 489 L CA -0.171 54.534 54.840 -0.224 0.000 0.819 489 L CB 2.038 43.692 42.059 -0.676 0.000 1.311 489 L HN 0.586 nan 8.230 nan 0.000 0.423 490 S N 0.232 115.995 115.700 0.104 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 0.025 0.000 1.059 490 S CB 1.040 64.210 63.200 -0.050 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 0.091 0.000 2.288 491 K HA 0.027 4.347 4.320 -0.001 0.000 0.201 491 K C 0.223 176.834 176.600 0.017 0.000 1.048 491 K CA 0.691 57.032 56.287 0.091 0.000 0.956 491 K CB -0.223 32.275 32.500 -0.002 0.000 0.746 491 K HN 0.496 nan 8.250 nan 0.000 0.461 492 T N 1.870 116.405 114.554 -0.032 0.000 2.738 492 T HA 0.179 4.529 4.350 -0.001 0.000 0.293 492 T C 0.597 175.308 174.700 0.018 0.000 0.913 492 T CA -0.289 61.798 62.100 -0.022 0.000 1.103 492 T CB 1.236 70.074 68.868 -0.050 0.000 0.880 492 T HN 0.146 nan 8.240 nan 0.000 0.526 493 A N 3.889 126.724 122.820 0.025 0.000 2.223 493 A HA 0.046 4.365 4.320 -0.001 0.000 0.222 493 A C 1.613 179.223 177.584 0.043 0.000 1.317 493 A CA 0.101 52.163 52.037 0.041 0.000 0.985 493 A CB -0.671 18.347 19.000 0.030 0.000 0.858 493 A HN 0.948 nan 8.150 nan 0.000 0.496 494 N N -2.655 116.071 118.700 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 0.250 53.327 53.050 0.045 0.000 0.879 494 N CB 0.099 38.604 38.487 0.030 0.000 1.109 494 N HN 0.112 nan 8.380 nan 0.000 0.501 495 D N 1.025 121.466 120.400 0.068 0.000 2.277 495 D HA 0.068 4.708 4.640 -0.001 0.000 0.208 495 D C 0.183 176.552 176.300 0.115 0.000 0.962 495 D CA 0.674 54.733 54.000 0.099 0.000 0.865 495 D CB 0.014 40.894 40.800 0.132 0.000 0.939 495 D HN 0.268 nan 8.370 nan 0.000 0.510 496 N N 1.111 119.884 118.700 0.121 0.000 2.445 496 N HA 0.013 4.753 4.740 -0.001 0.000 0.264 496 N C 0.061 175.644 175.510 0.123 0.000 1.227 496 N CA -0.275 52.866 53.050 0.151 0.000 0.963 496 N CB 0.395 39.010 38.487 0.214 0.000 1.188 496 N HN 0.027 nan 8.380 nan 0.000 0.491 497 N N 0.859 119.628 118.700 0.116 0.000 2.492 497 N HA -0.088 4.652 4.740 -0.001 0.000 0.262 497 N C -0.257 175.342 175.510 0.147 0.000 1.202 497 N CA 0.234 53.324 53.050 0.066 0.000 0.926 497 N CB 0.086 38.525 38.487 -0.080 0.000 1.078 497 N HN 0.450 nan 8.380 nan 0.000 0.454 498 N N 1.876 120.632 118.700 0.093 0.000 3.193 498 N HA -0.025 4.715 4.740 -0.001 0.000 0.312 498 N C -1.037 174.539 175.510 0.110 0.000 1.261 498 N CA -0.164 52.943 53.050 0.094 0.000 1.208 498 N CB -0.122 38.399 38.487 0.058 0.000 1.471 498 N HN 0.493 nan 8.380 nan 0.000 0.548 499 S N 0.307 116.119 115.700 0.188 0.000 2.537 499 S HA 0.196 4.665 4.470 -0.001 0.000 0.270 499 S C -0.952 173.836 174.600 0.313 0.000 1.142 499 S CA -1.123 57.202 58.200 0.209 0.000 0.870 499 S CB 1.429 64.734 63.200 0.174 0.000 1.112 499 S HN 0.244 nan 8.310 nan 0.000 0.466 500 N N 1.338 120.151 118.700 0.187 0.000 2.439 500 N HA 0.430 5.169 4.740 -0.001 0.000 0.243 500 N C -0.397 175.209 175.510 0.160 0.000 1.088 500 N CA -0.845 52.260 53.050 0.091 0.000 0.940 500 N CB -0.316 38.197 38.487 0.044 0.000 1.180 500 N HN 0.677 nan 8.380 nan 0.000 0.505 501 F N 1.790 121.779 119.950 0.065 0.000 2.805 501 F HA 0.550 5.077 4.527 -0.001 0.000 0.317 501 F C -2.022 173.838 175.800 0.099 0.000 1.146 501 F CA -1.600 56.442 58.000 0.070 0.000 1.265 501 F CB 0.671 39.690 39.000 0.032 0.000 0.992 501 F HN 0.242 nan 8.300 nan 0.000 0.511 502 P HA -0.035 nan 4.420 nan 0.000 0.249 502 P C 0.616 178.062 177.300 0.244 0.000 1.241 502 P CA 1.004 64.108 63.100 0.007 0.000 0.781 502 P CB -0.093 31.585 31.700 -0.036 0.000 1.088 503 W N -0.520 120.805 121.300 0.042 0.000 3.900 503 W HA 0.027 4.687 4.660 -0.001 0.000 0.186 503 W C 0.506 177.064 176.519 0.066 0.000 1.082 503 W CA 0.663 58.034 57.345 0.042 0.000 1.537 503 W CB 0.017 29.481 29.460 0.008 0.000 0.639 503 W HN -0.108 nan 8.180 nan 0.000 0.912 504 T N -0.679 113.939 114.554 0.106 0.000 3.100 504 T HA 0.345 4.695 4.350 -0.001 0.000 0.253 504 T C 1.166 175.865 174.700 -0.001 0.000 1.118 504 T CA 0.956 63.058 62.100 0.003 0.000 1.058 504 T CB 0.363 69.302 68.868 0.120 0.000 0.953 504 T HN 0.085 nan 8.240 nan 0.000 0.515 505 A N 0.203 123.071 122.820 0.080 0.000 2.600 505 A HA 0.831 5.151 4.320 -0.001 0.000 0.252 505 A C 0.993 178.624 177.584 0.080 0.000 1.200 505 A CA -0.024 52.062 52.037 0.081 0.000 0.981 505 A CB 0.148 19.238 19.000 0.149 0.000 1.207 505 A HN 0.613 nan 8.150 nan 0.000 0.577 506 A N 0.296 123.160 122.820 0.074 0.000 2.302 506 A HA 0.630 4.949 4.320 -0.001 0.000 0.285 506 A C 0.365 177.981 177.584 0.053 0.000 1.105 506 A CA -0.182 51.929 52.037 0.124 0.000 0.816 506 A CB 0.251 19.415 19.000 0.274 0.000 1.067 506 A HN 0.299 nan 8.150 nan 0.000 0.489 507 S N 1.392 117.169 115.700 0.130 0.000 2.510 507 S HA 0.380 4.850 4.470 -0.001 0.000 0.279 507 S C -0.008 174.717 174.600 0.208 0.000 1.284 507 S CA -0.161 58.133 58.200 0.156 0.000 1.059 507 S CB -0.002 63.320 63.200 0.203 0.000 0.901 507 S HN 0.636 nan 8.310 nan 0.000 0.491 508 K N 1.667 122.148 120.400 0.135 0.000 2.509 508 K HA 0.598 4.918 4.320 -0.001 0.000 0.266 508 K C -1.351 175.326 176.600 0.128 0.000 0.987 508 K CA -1.067 55.234 56.287 0.024 0.000 0.868 508 K CB 1.344 33.698 32.500 -0.244 0.000 1.421 508 K HN 0.563 nan 8.250 nan 0.000 0.444 509 Y N -1.515 118.817 120.300 0.053 0.000 2.630 509 Y HA 0.620 5.170 4.550 -0.001 0.000 0.337 509 Y C -0.690 175.285 175.900 0.125 0.000 1.051 509 Y CA -1.021 57.118 58.100 0.065 0.000 1.121 509 Y CB 1.533 39.982 38.460 -0.019 0.000 1.299 509 Y HN 0.751 nan 8.280 nan 0.000 0.498 510 H N 1.741 120.952 119.070 0.234 0.000 2.865 510 H HA 0.628 5.183 4.556 -0.001 0.000 0.362 510 H C -2.394 173.063 175.328 0.216 0.000 1.114 510 H CA -1.183 54.948 56.048 0.137 0.000 1.208 510 H CB 1.616 31.414 29.762 0.059 0.000 1.727 510 H HN 0.886 nan 8.280 nan 0.000 0.534 511 L N 3.497 124.763 121.223 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 1.547 43.673 42.059 0.112 0.000 1.279 511 L HN 0.839 nan 8.230 nan 0.000 0.412 512 N N 2.374 121.108 118.700 0.056 0.000 2.741 512 N HA -0.185 4.555 4.740 -0.001 0.000 0.250 512 N C 0.697 176.306 175.510 0.166 0.000 1.115 512 N CA 1.332 54.442 53.050 0.101 0.000 0.724 512 N CB -0.613 37.928 38.487 0.091 0.000 1.090 512 N HN 1.123 nan 8.380 nan 0.000 0.558 513 G N -0.357 108.629 108.800 0.310 0.000 2.176 513 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 0.524 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 0.495 121.166 120.500 0.284 0.000 2.451 514 R HA 0.370 4.709 4.340 -0.001 0.000 0.307 514 R C -1.137 175.276 176.300 0.190 0.000 0.965 514 R CA -0.841 55.380 56.100 0.201 0.000 0.865 514 R CB 0.763 31.165 30.300 0.169 0.000 1.174 514 R HN 0.088 nan 8.270 nan 0.000 0.455 515 D N 1.750 122.251 120.400 0.168 0.000 2.425 515 D HA 0.134 4.774 4.640 -0.001 0.000 0.247 515 D C -0.710 175.619 176.300 0.048 0.000 1.147 515 D CA 0.806 54.868 54.000 0.104 0.000 0.879 515 D CB 1.493 42.378 40.800 0.141 0.000 1.179 515 D HN 0.374 nan 8.370 nan 0.000 0.456 516 S N 1.525 117.062 115.700 -0.272 0.000 2.571 516 S HA 0.285 4.754 4.470 -0.001 0.000 0.284 516 S C -0.613 173.706 174.600 -0.468 0.000 1.128 516 S CA -0.760 57.202 58.200 -0.397 0.000 0.970 516 S CB 1.798 64.571 63.200 -0.712 0.000 1.039 516 S HN 0.292 nan 8.310 nan 0.000 0.485 517 L N 3.927 125.069 121.223 -0.134 0.000 2.418 517 L HA 0.337 4.676 4.340 -0.001 0.000 0.274 517 L C -0.358 176.472 176.870 -0.066 0.000 1.135 517 L CA 0.112 54.892 54.840 -0.100 0.000 0.870 517 L CB 0.532 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 6.896 126.843 119.914 0.055 0.000 2.242 518 V HA 0.025 4.144 4.120 -0.001 0.000 0.242 518 V C 1.239 177.422 176.094 0.148 0.000 1.240 518 V CA 0.024 62.440 62.300 0.195 0.000 1.211 518 V CB -0.689 31.290 31.823 0.260 0.000 1.338 518 V HN 0.918 nan 8.190 nan 0.000 0.499 519 N N 6.360 125.079 118.700 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 -0.242 177.136 177.300 0.131 0.000 1.718 520 P CA -0.377 62.811 63.100 0.146 0.000 1.119 520 P CB 0.810 32.575 31.700 0.108 0.000 1.762 521 G N 4.635 113.527 108.800 0.152 0.000 2.479 521 G HA2 0.235 4.195 3.960 -0.001 0.000 0.275 521 G HA3 0.235 4.195 3.960 -0.001 0.000 0.275 521 G C -2.251 172.688 174.900 0.066 0.000 1.421 521 G CA -1.201 43.959 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 -0.182 177.143 177.300 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 3.547 126.395 122.820 0.046 0.000 2.473 523 A HA 0.357 4.677 4.320 -0.001 0.000 0.282 523 A C 0.124 177.761 177.584 0.089 0.000 1.163 523 A CA 0.364 52.459 52.037 0.097 0.000 0.827 523 A CB -0.972 18.113 19.000 0.143 0.000 1.098 523 A HN 0.421 nan 8.150 nan 0.000 0.515 524 M N 2.064 121.721 119.600 0.096 0.000 2.644 524 M HA 0.587 5.067 4.480 -0.001 0.000 0.304 524 M C 0.234 176.588 176.300 0.090 0.000 1.215 524 M CA -0.546 54.807 55.300 0.089 0.000 0.871 524 M CB 2.242 34.891 32.600 0.083 0.000 1.740 524 M HN 0.636 nan 8.290 nan 0.000 0.464 525 A N 0.894 123.756 122.820 0.070 0.000 2.425 525 A HA 0.354 4.674 4.320 -0.001 0.000 0.249 525 A C 0.785 178.413 177.584 0.075 0.000 1.084 525 A CA -0.257 51.810 52.037 0.051 0.000 0.781 525 A CB 0.261 19.264 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 0.748 175.513 174.600 0.273 0.000 1.029 526 S CA 1.509 59.840 58.200 0.219 0.000 0.978 526 S CB -0.280 63.120 63.200 0.335 0.000 0.833 526 S HN 0.956 nan 8.310 nan 0.000 0.466 527 H N 0.278 119.417 119.070 0.114 0.000 3.016 527 H HA 0.507 5.063 4.556 -0.001 0.000 0.362 527 H C -1.033 174.346 175.328 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 30.807 29.762 0.162 0.000 1.850 527 H HN 0.130 nan 8.280 nan 0.000 0.549 528 K N 0.991 121.453 120.400 0.103 0.000 2.117 528 K HA 0.199 4.519 4.320 -0.001 0.000 0.240 528 K C -0.621 176.034 176.600 0.091 0.000 1.031 528 K CA -0.691 55.615 56.287 0.032 0.000 0.909 528 K CB 0.608 33.129 32.500 0.035 0.000 1.097 528 K HN 0.342 nan 8.250 nan 0.000 0.492 529 D N 1.079 121.511 120.400 0.054 0.000 2.443 529 D HA 0.008 4.648 4.640 -0.001 0.000 0.239 529 D C -0.410 175.962 176.300 0.120 0.000 1.136 529 D CA 0.904 54.952 54.000 0.081 0.000 0.879 529 D CB 0.227 41.052 40.800 0.043 0.000 1.195 529 D HN 0.602 nan 8.370 nan 0.000 0.443 530 D N 1.362 121.844 120.400 0.136 0.000 2.835 530 D HA -0.155 4.484 4.640 -0.001 0.000 0.230 530 D C 0.585 176.970 176.300 0.142 0.000 1.130 530 D CA 0.860 54.930 54.000 0.117 0.000 0.738 530 D CB -0.651 40.199 40.800 0.082 0.000 1.090 530 D HN 0.599 nan 8.370 nan 0.000 0.433 531 E N -0.548 119.771 120.200 0.198 0.000 3.555 531 E HA 0.086 4.436 4.350 -0.001 0.000 0.187 531 E C 0.441 177.064 176.600 0.039 0.000 1.267 531 E CA -0.145 56.370 56.400 0.192 0.000 1.353 531 E CB 0.343 30.243 29.700 0.333 0.000 2.031 531 E HN 0.049 nan 8.360 nan 0.000 0.522 532 E N 0.890 121.002 120.200 -0.146 0.000 2.586 532 E HA -0.257 4.093 4.350 -0.001 0.000 0.259 532 E C 0.263 176.675 176.600 -0.312 0.000 1.107 532 E CA 1.453 57.529 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 -1.822 118.435 120.400 -0.239 0.000 2.574 533 K HA 0.161 4.481 4.320 -0.001 0.000 0.215 533 K C 0.040 176.496 176.600 -0.240 0.000 1.485 533 K CA -0.159 55.970 56.287 -0.263 0.000 1.006 533 K CB 0.207 32.477 32.500 -0.384 0.000 1.254 533 K HN 0.032 nan 8.250 nan 0.000 0.580 534 F N 3.566 123.541 119.950 0.043 0.000 2.390 534 F HA 0.360 4.887 4.527 -0.001 0.000 0.361 534 F C -0.048 175.834 175.800 0.137 0.000 1.124 534 F CA -1.311 56.732 58.000 0.072 0.000 1.149 534 F CB 0.587 39.606 39.000 0.030 0.000 1.160 534 F HN 0.014 nan 8.300 nan 0.000 0.501 535 F N 3.162 123.207 119.950 0.157 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 -3.622 54.452 58.000 0.123 0.000 0.989 535 F CB 0.497 39.535 39.000 0.064 0.000 1.193 535 F HN 0.110 nan 8.300 nan 0.000 0.481 536 P HA 0.108 nan 4.420 nan 0.000 0.271 536 P C -0.454 176.721 177.300 -0.208 0.000 1.218 536 P CA -0.427 62.614 63.100 -0.099 0.000 0.780 536 P CB 0.737 32.444 31.700 0.012 0.000 0.901 537 M N 4.982 124.402 119.600 -0.299 0.000 2.734 537 M HA -0.049 4.431 4.480 -0.001 0.000 0.356 537 M C 0.923 176.891 176.300 -0.555 0.000 1.790 537 M CA 0.719 55.829 55.300 -0.316 0.000 1.231 537 M CB -1.302 31.128 32.600 -0.283 0.000 2.102 537 M HN 0.559 nan 8.290 nan 0.000 0.463 538 H N 1.165 120.339 119.070 0.174 0.000 2.690 538 H HA -0.188 4.368 4.556 -0.001 0.000 0.309 538 H C 0.427 175.837 175.328 0.137 0.000 1.138 538 H CA 0.471 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 0.917 109.782 108.800 0.108 0.000 3.262 539 G HA2 0.107 4.066 3.960 -0.001 0.000 0.228 539 G HA3 0.107 4.066 3.960 -0.001 0.000 0.228 539 G C 0.357 175.354 174.900 0.161 0.000 1.197 539 G CA 0.325 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 -1.199 117.599 118.700 0.163 0.000 3.322 540 N HA 0.111 4.851 4.740 -0.001 0.000 0.233 540 N C -1.729 173.797 175.510 0.027 0.000 1.399 540 N CA -0.843 52.276 53.050 0.114 0.000 0.894 540 N CB 0.827 39.387 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 0.059 176.663 176.870 -0.444 0.000 1.129 541 L CA 0.132 54.812 54.840 -0.267 0.000 0.839 541 L CB 0.145 42.000 42.059 -0.339 0.000 1.133 541 L HN 0.473 nan 8.230 nan 0.000 0.453 542 I N 3.743 124.045 120.570 -0.447 0.000 2.389 542 I HA 0.343 4.513 4.170 -0.001 0.000 0.288 542 I C -0.662 175.189 176.117 -0.444 0.000 0.999 542 I CA -0.408 60.671 61.300 -0.368 0.000 1.129 542 I CB 1.012 38.900 38.000 -0.186 0.000 1.288 542 I HN 0.308 nan 8.210 nan 0.000 0.444 543 F N 3.084 122.989 119.950 -0.074 0.000 2.422 543 F HA 0.580 5.106 4.527 -0.001 0.000 0.333 543 F C 1.070 176.838 175.800 -0.054 0.000 1.095 543 F CA -0.642 57.327 58.000 -0.052 0.000 1.038 543 F CB 1.655 40.626 39.000 -0.049 0.000 1.156 543 F HN 0.420 nan 8.300 nan 0.000 0.483 544 G N 2.736 111.625 108.800 0.149 0.000 2.353 544 G HA2 0.338 4.298 3.960 -0.001 0.000 0.284 544 G HA3 0.338 4.298 3.960 -0.001 0.000 0.284 544 G C -0.566 174.359 174.900 0.043 0.000 1.172 544 G CA -0.744 44.392 45.100 0.060 0.000 0.854 544 G HN 0.545 nan 8.290 nan 0.000 0.485 545 K N 0.790 121.190 120.400 0.001 0.000 2.286 545 K HA 0.062 4.382 4.320 -0.001 0.000 0.256 545 K C 0.315 176.894 176.600 -0.034 0.000 0.999 545 K CA -0.175 56.092 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 0.345 120.509 120.200 -0.061 0.000 2.415 546 E HA 0.081 4.431 4.350 -0.001 0.000 0.263 546 E C -0.186 176.392 176.600 -0.038 0.000 0.995 546 E CA 1.087 57.459 56.400 -0.048 0.000 0.915 546 E CB 0.306 29.961 29.700 -0.075 0.000 0.951 546 E HN 0.636 nan 8.360 nan 0.000 0.449 547 G N 3.571 112.359 108.800 -0.019 0.000 2.540 547 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.260 547 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.260 547 G C -0.451 174.438 174.900 -0.019 0.000 0.993 547 G CA 0.254 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 1.206 115.753 114.554 -0.012 0.000 3.705 548 T HA 0.433 4.783 4.350 -0.001 0.000 0.342 548 T C 0.377 175.071 174.700 -0.009 0.000 1.043 548 T CA -0.104 61.988 62.100 -0.014 0.000 1.071 548 T CB 1.198 70.056 68.868 -0.016 0.000 1.124 548 T HN 0.636 nan 8.240 nan 0.000 0.467 549 T N 2.383 116.930 114.554 -0.011 0.000 2.906 549 T HA 0.211 4.561 4.350 -0.001 0.000 0.329 549 T C 1.632 176.325 174.700 -0.011 0.000 1.091 549 T CA 0.325 62.419 62.100 -0.010 0.000 1.127 549 T CB 0.457 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 1.957 124.771 122.820 -0.011 0.000 2.206 550 A HA 0.232 4.552 4.320 -0.001 0.000 0.211 550 A C 1.395 178.966 177.584 -0.022 0.000 1.158 550 A CA 0.234 52.262 52.037 -0.014 0.000 0.761 550 A CB 0.187 19.180 19.000 -0.012 0.000 0.801 550 A HN 0.563 nan 8.150 nan 0.000 0.473 551 S N 0.358 116.045 115.700 -0.022 0.000 2.498 551 S HA 0.410 4.879 4.470 -0.001 0.000 0.324 551 S C -0.443 174.142 174.600 -0.025 0.000 1.071 551 S CA -0.672 57.513 58.200 -0.026 0.000 1.113 551 S CB -0.434 62.750 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 4.538 4.740 -0.001 0.000 0.285 552 N C -0.333 175.164 175.510 -0.022 0.000 1.151 552 N CA 0.535 53.570 53.050 -0.024 0.000 0.749 552 N CB -0.539 37.933 38.487 -0.024 0.000 0.923 552 N HN 0.657 nan 8.380 nan 0.000 0.552 553 A N 0.792 123.598 122.820 -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 51.632 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 2.392 554 E HA 0.243 4.593 4.350 -0.001 0.000 0.259 554 E C 0.842 177.422 176.600 -0.034 0.000 1.108 554 E CA -0.266 56.119 56.400 -0.026 0.000 0.916 554 E CB 0.697 30.382 29.700 -0.025 0.000 0.989 554 E HN 0.513 nan 8.360 nan 0.000 0.432 555 L N 2.075 123.278 121.223 -0.034 0.000 2.191 555 L HA -0.066 4.274 4.340 -0.001 0.000 0.212 555 L C 0.688 177.522 176.870 -0.060 0.000 1.103 555 L CA 1.806 56.616 54.840 -0.050 0.000 0.769 555 L CB -0.095 41.940 42.059 -0.039 0.000 0.908 555 L HN 0.521 nan 8.230 nan 0.000 0.438 556 D N -0.702 119.670 120.400 -0.048 0.000 2.328 556 D HA -0.003 4.636 4.640 -0.001 0.000 0.226 556 D C 0.816 177.087 176.300 -0.048 0.000 1.066 556 D CA 0.275 54.245 54.000 -0.049 0.000 0.861 556 D CB -0.018 40.758 40.800 -0.041 0.000 0.912 556 D HN 0.374 nan 8.370 nan 0.000 0.521 557 N N 0.044 118.716 118.700 -0.047 0.000 2.184 557 N HA 0.037 4.776 4.740 -0.001 0.000 0.206 557 N C -0.016 175.470 175.510 -0.041 0.000 1.151 557 N CA 0.057 53.081 53.050 -0.042 0.000 0.878 557 N CB 1.669 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 -2.180 117.704 119.914 -0.051 0.000 3.074 558 V HA 0.660 4.780 4.120 -0.001 0.000 0.314 558 V C -0.411 175.649 176.094 -0.057 0.000 1.117 558 V CA -0.985 61.286 62.300 -0.049 0.000 1.014 558 V CB 2.512 34.295 31.823 -0.066 0.000 1.057 558 V HN -0.181 nan 8.190 nan 0.000 0.438 559 M N 3.285 122.868 119.600 -0.028 0.000 2.043 559 M HA 0.583 5.063 4.480 -0.001 0.000 0.322 559 M C -0.998 175.272 176.300 -0.050 0.000 0.962 559 M CA -0.146 55.144 55.300 -0.017 0.000 0.927 559 M CB 1.532 34.163 32.600 0.051 0.000 1.466 559 M HN 0.561 nan 8.290 nan 0.000 0.412 560 I N 2.602 123.099 120.570 -0.122 0.000 2.365 560 I HA 0.325 4.495 4.170 -0.001 0.000 0.291 560 I C 0.630 176.689 176.117 -0.097 0.000 1.004 560 I CA -0.662 60.533 61.300 -0.174 0.000 1.311 560 I CB 1.458 39.251 38.000 -0.345 0.000 1.401 560 I HN 0.597 nan 8.210 nan 0.000 0.491 561 T N 0.517 115.014 114.554 -0.094 0.000 2.806 561 T HA 0.279 4.629 4.350 -0.001 0.000 0.290 561 T C -0.490 174.253 174.700 0.071 0.000 0.966 561 T CA -0.838 61.224 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 1.942 122.431 120.400 0.149 0.000 2.329 562 D HA 0.183 4.823 4.640 -0.001 0.000 0.232 562 D C -0.122 176.326 176.300 0.246 0.000 1.088 562 D CA -0.510 53.620 54.000 0.216 0.000 0.835 562 D CB 0.916 41.852 40.800 0.227 0.000 1.078 562 D HN 0.447 nan 8.370 nan 0.000 0.495 563 E N 3.333 123.669 120.200 0.226 0.000 2.360 563 E HA 0.058 4.408 4.350 -0.001 0.000 0.253 563 E C 0.054 176.714 176.600 0.100 0.000 1.189 563 E CA -0.056 56.453 56.400 0.182 0.000 1.252 563 E CB 0.239 30.046 29.700 0.178 0.000 1.408 563 E HN 0.656 nan 8.360 nan 0.000 0.464 564 E N -0.249 119.996 120.200 0.075 0.000 2.569 564 E HA 0.128 4.477 4.350 -0.001 0.000 0.205 564 E C 0.193 176.778 176.600 -0.025 0.000 1.006 564 E CA -0.003 56.375 56.400 -0.036 0.000 0.985 564 E CB 0.303 29.960 29.700 -0.071 0.000 1.060 564 E HN -0.035 nan 8.360 nan 0.000 0.460 565 E N 0.738 120.936 120.200 -0.004 0.000 2.431 565 E HA 0.135 4.485 4.350 -0.001 0.000 0.200 565 E C 1.481 178.071 176.600 -0.016 0.000 0.995 565 E CA 0.238 56.620 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 -1.980 118.594 120.570 0.006 0.000 3.858 566 I HA 0.291 4.460 4.170 -0.001 0.000 0.325 566 I C 1.029 177.170 176.117 0.039 0.000 1.403 566 I CA -0.184 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 1.413 121.920 120.500 0.012 0.000 2.152 567 R HA -0.089 4.251 4.340 -0.001 0.000 0.232 567 R C 2.187 178.492 176.300 0.009 0.000 1.117 567 R CA 1.989 58.086 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 0.649 nan 8.270 nan 0.000 0.451 568 T N -3.207 111.361 114.554 0.024 0.000 3.067 568 T HA -0.010 4.340 4.350 -0.001 0.000 0.257 568 T C 1.712 176.402 174.700 -0.016 0.000 1.105 568 T CA 1.140 63.244 62.100 0.006 0.000 1.104 568 T CB 0.214 69.092 68.868 0.017 0.000 0.925 568 T HN 0.304 nan 8.240 nan 0.000 0.498 569 T N -1.897 112.665 114.554 0.014 0.000 2.955 569 T HA 0.317 4.667 4.350 -0.001 0.000 0.251 569 T C 0.361 175.114 174.700 0.089 0.000 1.002 569 T CA -0.539 61.573 62.100 0.019 0.000 0.970 569 T CB -0.270 68.600 68.868 0.003 0.000 1.091 569 T HN 0.384 nan 8.240 nan 0.000 0.495 570 N N 2.198 120.949 118.700 0.085 0.000 2.319 570 N HA 0.573 5.312 4.740 -0.001 0.000 0.305 570 N C -3.132 172.422 175.510 0.074 0.000 1.103 570 N CA -2.018 51.095 53.050 0.105 0.000 0.815 570 N CB 2.020 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 -0.673 176.665 177.300 0.063 0.000 1.223 571 P CA -0.377 62.769 63.100 0.077 0.000 0.784 571 P CB 0.617 32.421 31.700 0.174 0.000 0.923 572 V N 1.969 121.905 119.914 0.037 0.000 2.572 572 V HA 0.115 4.234 4.120 -0.001 0.000 0.291 572 V C 1.719 177.839 176.094 0.042 0.000 1.039 572 V CA 0.532 62.852 62.300 0.033 0.000 1.055 572 V CB -0.036 31.795 31.823 0.014 0.000 0.969 572 V HN 0.721 nan 8.190 nan 0.000 0.482 573 A N 4.254 127.105 122.820 0.051 0.000 1.908 573 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 573 A C 2.254 179.844 177.584 0.009 0.000 1.181 573 A CA 2.400 54.464 52.037 0.045 0.000 0.627 573 A CB -0.693 18.343 19.000 0.060 0.000 0.818 573 A HN 1.016 nan 8.150 nan 0.000 0.445 574 T N -2.699 111.854 114.554 -0.002 0.000 3.009 574 T HA 0.073 4.422 4.350 -0.001 0.000 0.258 574 T C 0.814 175.484 174.700 -0.051 0.000 1.063 574 T CA 0.391 62.466 62.100 -0.041 0.000 1.139 574 T CB -0.204 68.632 68.868 -0.053 0.000 0.890 574 T HN 0.392 nan 8.240 nan 0.000 0.471 575 E N 2.373 122.554 120.200 -0.032 0.000 2.397 575 E HA 0.174 4.524 4.350 -0.001 0.000 0.254 575 E C 0.602 177.192 176.600 -0.017 0.000 1.231 575 E CA -0.209 56.169 56.400 -0.036 0.000 0.954 575 E CB 0.476 30.159 29.700 -0.028 0.000 1.024 575 E HN 0.769 nan 8.360 nan 0.000 0.481 576 Q N -0.349 119.442 119.800 -0.016 0.000 2.492 576 Q HA 0.016 4.355 4.340 -0.001 0.000 0.184 576 Q C 0.680 176.725 176.000 0.075 0.000 1.126 576 Q CA -0.036 55.776 55.803 0.015 0.000 1.196 576 Q CB 0.117 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 2.609 577 Y HA 0.429 4.979 4.550 -0.001 0.000 0.281 577 Y C 0.536 176.424 175.900 -0.020 0.000 1.132 577 Y CA 1.082 59.166 58.100 -0.026 0.000 1.264 577 Y CB 1.219 39.663 38.460 -0.027 0.000 1.325 577 Y HN 0.865 nan 8.280 nan 0.000 0.514 578 G N -0.983 107.828 108.800 0.018 0.000 2.399 578 G HA2 0.306 4.266 3.960 -0.001 0.000 0.256 578 G HA3 0.306 4.266 3.960 -0.001 0.000 0.256 578 G C -1.432 173.477 174.900 0.015 0.000 1.236 578 G CA -0.381 44.685 45.100 -0.057 0.000 0.914 578 G HN -0.065 nan 8.290 nan 0.000 0.482 579 T N 0.089 114.646 114.554 0.004 0.000 2.829 579 T HA 0.678 5.027 4.350 -0.001 0.000 0.280 579 T C -0.660 174.057 174.700 0.029 0.000 0.999 579 T CA -0.320 61.787 62.100 0.012 0.000 0.983 579 T CB 1.715 70.580 68.868 -0.005 0.000 0.968 579 T HN 0.830 nan 8.240 nan 0.000 0.446 580 V N 1.678 121.609 119.914 0.028 0.000 2.789 580 V HA 0.805 4.924 4.120 -0.001 0.000 0.311 580 V C 0.111 176.215 176.094 0.017 0.000 1.073 580 V CA -1.305 61.013 62.300 0.029 0.000 0.921 580 V CB 1.827 33.671 31.823 0.035 0.000 1.009 580 V HN 1.089 nan 8.190 nan 0.000 0.426 581 A N 3.050 125.880 122.820 0.017 0.000 2.322 581 A HA 0.705 5.025 4.320 -0.001 0.000 0.269 581 A C 0.411 178.001 177.584 0.010 0.000 1.094 581 A CA -0.304 51.740 52.037 0.012 0.000 0.807 581 A CB 0.174 19.183 19.000 0.014 0.000 1.047 581 A HN 1.094 nan 8.150 nan 0.000 0.487 582 N N 1.190 119.894 118.700 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 -0.403 52.649 53.050 0.004 0.000 0.859 582 N CB 0.110 38.598 38.487 0.002 0.000 1.403 582 N HN 0.743 nan 8.380 nan 0.000 0.501 583 N N -0.249 118.454 118.700 0.004 0.000 3.322 583 N HA 0.146 4.886 4.740 -0.001 0.000 0.233 583 N C -1.740 173.773 175.510 0.005 0.000 1.399 583 N CA -0.580 52.472 53.050 0.004 0.000 0.894 583 N CB 0.602 39.090 38.487 0.002 0.000 1.440 583 N HN 0.048 nan 8.380 nan 0.000 0.503 584 L N 1.556 122.782 121.223 0.005 0.000 2.353 584 L HA 0.247 4.587 4.340 -0.001 0.000 0.269 584 L C 0.402 177.275 176.870 0.005 0.000 1.085 584 L CA -0.846 53.998 54.840 0.006 0.000 0.938 584 L CB 0.228 42.290 42.059 0.006 0.000 1.312 584 L HN 0.622 nan 8.230 nan 0.000 0.429 585 Q N 2.559 122.362 119.800 0.005 0.000 2.386 585 Q HA 0.417 4.757 4.340 -0.001 0.000 0.282 585 Q C -0.000 176.001 176.000 0.003 0.000 1.050 585 Q CA -0.042 55.763 55.803 0.003 0.000 0.918 585 Q CB 1.176 29.916 28.738 0.003 0.000 1.266 585 Q HN 0.586 nan 8.270 nan 0.000 0.423 586 S N 0.131 115.831 115.700 0.000 0.000 2.694 586 S HA 0.339 4.809 4.470 -0.001 0.000 0.273 586 S C 0.407 175.006 174.600 -0.002 0.000 1.180 586 S CA -0.336 57.864 58.200 -0.000 0.000 0.864 586 S CB 0.070 63.270 63.200 0.001 0.000 1.198 586 S HN 0.958 nan 8.310 nan 0.000 0.499 587 S N 1.172 116.870 115.700 -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 1.217 119.915 118.700 -0.002 0.000 2.395 588 N HA 0.092 4.831 4.740 -0.001 0.000 0.175 588 N C -0.116 175.393 175.510 -0.003 0.000 1.029 588 N CA 0.756 53.804 53.050 -0.002 0.000 0.897 588 N CB 0.043 38.529 38.487 -0.002 0.000 0.991 588 N HN 0.385 nan 8.380 nan 0.000 0.441 589 T N 0.392 114.944 114.554 -0.002 0.000 2.841 589 T HA 0.619 4.969 4.350 -0.001 0.000 0.283 589 T C -0.465 174.233 174.700 -0.003 0.000 1.000 589 T CA -0.746 61.353 62.100 -0.002 0.000 0.977 589 T CB 2.461 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 4.737 127.555 122.820 -0.003 0.000 2.331 590 A HA 0.673 4.992 4.320 -0.001 0.000 0.283 590 A C -2.241 175.341 177.584 -0.003 0.000 1.142 590 A CA -1.664 50.371 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 0.264 591 P C -0.390 176.909 177.300 -0.002 0.000 1.193 591 P CA 0.496 63.596 63.100 -0.001 0.000 0.763 591 P CB 0.417 32.117 31.700 -0.000 0.000 0.810 592 T N 2.246 116.799 114.554 -0.001 0.000 2.855 592 T HA 0.420 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 -0.281 61.818 62.100 -0.002 0.000 1.009 592 T CB 1.189 70.055 68.868 -0.003 0.000 0.983 592 T HN 0.232 nan 8.240 nan 0.000 0.455 593 T N 3.108 117.660 114.554 -0.003 0.000 2.856 593 T HA 0.558 4.908 4.350 -0.001 0.000 0.283 593 T C -0.480 174.217 174.700 -0.004 0.000 1.008 593 T CA -0.767 61.332 62.100 -0.002 0.000 0.997 593 T CB 1.090 69.956 68.868 -0.004 0.000 0.992 593 T HN 0.266 nan 8.240 nan 0.000 0.454 594 R N 2.133 122.633 120.500 -0.000 0.000 2.480 594 R HA 0.363 4.703 4.340 -0.001 0.000 0.306 594 R C -0.930 175.372 176.300 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 31.680 30.300 -0.000 0.000 1.171 594 R HN 0.616 nan 8.270 nan 0.000 0.445 595 T N 3.677 118.229 114.554 -0.005 0.000 2.738 595 T HA 0.053 4.403 4.350 -0.001 0.000 0.293 595 T C 0.047 174.751 174.700 0.006 0.000 0.913 595 T CA -0.054 62.046 62.100 -0.001 0.000 1.103 595 T CB 0.534 69.392 68.868 -0.016 0.000 0.880 595 T HN 0.351 nan 8.240 nan 0.000 0.526 596 V N 5.475 125.412 119.914 0.038 0.000 2.455 596 V HA 0.220 4.340 4.120 -0.001 0.000 0.273 596 V C 0.572 176.685 176.094 0.032 0.000 1.045 596 V CA -0.155 62.170 62.300 0.043 0.000 0.976 596 V CB 0.438 32.324 31.823 0.106 0.000 0.993 596 V HN 0.804 nan 8.190 nan 0.000 0.475 597 N N 4.345 123.025 118.700 -0.035 0.000 2.294 597 N HA 0.158 4.897 4.740 -0.001 0.000 0.186 597 N C -0.426 175.004 175.510 -0.134 0.000 1.107 597 N CA 0.185 53.190 53.050 -0.076 0.000 0.884 597 N CB 0.599 39.020 38.487 -0.110 0.000 1.030 597 N HN 0.809 nan 8.380 nan 0.000 0.482 598 D N 0.590 120.909 120.400 -0.135 0.000 2.855 598 D HA 0.195 4.834 4.640 -0.001 0.000 0.241 598 D C -1.509 174.676 176.300 -0.191 0.000 1.277 598 D CA -0.363 53.548 54.000 -0.148 0.000 0.918 598 D CB 1.420 42.155 40.800 -0.108 0.000 1.462 598 D HN -0.256 nan 8.370 nan 0.000 0.559 599 Q N 2.738 122.363 119.800 -0.292 0.000 2.309 599 Q HA 0.653 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 1.634 29.788 28.738 -0.974 0.000 1.247 599 Q HN 0.525 nan 8.270 nan 0.000 0.455 600 G N 2.072 110.740 108.800 -0.219 0.000 2.479 600 G HA2 0.463 4.423 3.960 -0.001 0.000 0.275 600 G HA3 0.463 4.423 3.960 -0.001 0.000 0.275 600 G C -0.477 174.277 174.900 -0.244 0.000 1.421 600 G CA -0.091 44.876 45.100 -0.222 0.000 1.059 600 G HN 0.828 nan 8.290 nan 0.000 0.535 601 A N -1.509 121.157 122.820 -0.257 0.000 2.304 601 A HA 0.715 5.035 4.320 -0.001 0.000 0.271 601 A C -0.405 177.157 177.584 -0.037 0.000 1.091 601 A CA -0.218 51.706 52.037 -0.189 0.000 0.812 601 A CB 0.498 19.333 19.000 -0.274 0.000 1.056 601 A HN 0.574 nan 8.150 nan 0.000 0.489 602 L N 0.885 122.149 121.223 0.068 0.000 2.482 602 L HA 0.361 4.701 4.340 -0.001 0.000 0.263 602 L C -2.587 174.387 176.870 0.173 0.000 0.957 602 L CA -1.848 53.055 54.840 0.105 0.000 0.836 602 L CB 2.646 44.763 42.059 0.098 0.000 1.324 602 L HN 0.429 nan 8.230 nan 0.000 0.406 603 P HA 0.165 nan 4.420 nan 0.000 0.259 603 P C 0.671 178.078 177.300 0.178 0.000 1.211 603 P CA 0.683 63.880 63.100 0.163 0.000 0.810 603 P CB 0.454 32.222 31.700 0.113 0.000 0.815 604 G N 2.364 111.316 108.800 0.254 0.000 2.227 604 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.168 604 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.168 604 G C 0.131 175.265 174.900 0.390 0.000 1.006 604 G CA -0.605 44.693 45.100 0.329 0.000 0.684 604 G HN 0.398 nan 8.290 nan 0.000 0.489 605 M N 1.335 121.143 119.600 0.347 0.000 2.233 605 M HA 0.522 5.002 4.480 -0.001 0.000 0.350 605 M C 0.469 177.001 176.300 0.386 0.000 1.176 605 M CA -0.215 55.313 55.300 0.380 0.000 1.150 605 M CB 1.545 34.381 32.600 0.395 0.000 1.530 605 M HN 0.481 nan 8.290 nan 0.000 0.459 606 V N 0.855 120.953 119.914 0.307 0.000 2.686 606 V HA 0.834 4.954 4.120 -0.001 0.000 0.306 606 V C -1.611 174.605 176.094 0.203 0.000 1.065 606 V CA -0.679 61.667 62.300 0.078 0.000 0.894 606 V CB 1.204 32.936 31.823 -0.150 0.000 1.004 606 V HN 1.076 nan 8.190 nan 0.000 0.424 607 W N 2.461 123.738 121.300 -0.038 0.000 3.029 607 W HA 0.887 5.546 4.660 -0.001 0.000 0.339 607 W C -1.017 175.482 176.519 -0.034 0.000 1.198 607 W CA -1.065 56.262 57.345 -0.031 0.000 1.148 607 W CB 1.776 31.224 29.460 -0.020 0.000 1.451 607 W HN 0.685 nan 8.180 nan 0.000 0.564 608 Q N 1.971 121.877 119.800 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 0.199 0.000 0.974 608 Q CA -0.264 55.585 55.803 0.076 0.000 0.876 608 Q CB 1.323 30.089 28.738 0.047 0.000 1.297 608 Q HN 0.410 nan 8.270 nan 0.000 0.446 609 D N 1.059 121.544 120.400 0.142 0.000 2.414 609 D HA 0.204 4.844 4.640 -0.001 0.000 0.259 609 D C 0.484 176.873 176.300 0.149 0.000 1.269 609 D CA -0.193 53.934 54.000 0.211 0.000 1.028 609 D CB 0.603 41.539 40.800 0.225 0.000 1.093 609 D HN 0.464 nan 8.370 nan 0.000 0.545 610 R N -0.302 120.303 120.500 0.175 0.000 3.213 610 R HA 0.245 4.585 4.340 -0.001 0.000 0.188 610 R C -0.267 176.142 176.300 0.181 0.000 0.931 610 R CA 0.079 56.283 56.100 0.172 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 -0.842 119.655 120.400 0.161 0.000 2.581 611 D HA 0.318 4.958 4.640 -0.001 0.000 0.232 611 D C -1.631 174.556 176.300 -0.189 0.000 1.143 611 D CA -0.557 53.459 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 0.159 119.828 119.914 -0.408 0.000 2.483 612 V HA 0.693 4.813 4.120 -0.001 0.000 0.295 612 V C -1.078 174.840 176.094 -0.293 0.000 1.035 612 V CA -0.491 61.657 62.300 -0.252 0.000 0.896 612 V CB 0.760 32.397 31.823 -0.309 0.000 0.986 612 V HN 0.439 nan 8.190 nan 0.000 0.447 613 Y N 2.719 123.127 120.300 0.179 0.000 2.549 613 Y HA 0.580 5.130 4.550 -0.001 0.000 0.339 613 Y C 0.858 176.587 175.900 -0.285 0.000 1.053 613 Y CA -1.077 57.079 58.100 0.094 0.000 1.105 613 Y CB 1.517 40.063 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 -0.586 0.000 2.151 614 L HA -0.244 4.096 4.340 -0.001 0.000 0.215 614 L C 1.712 178.362 176.870 -0.366 0.000 1.084 614 L CA 2.052 56.192 54.840 -1.166 0.000 0.764 614 L CB -0.437 41.007 42.059 -1.026 0.000 0.891 614 L HN 0.826 nan 8.230 nan 0.000 0.435 615 Q N -1.386 118.302 119.800 -0.187 0.000 2.179 615 Q HA 0.304 4.644 4.340 -0.001 0.000 0.213 615 Q C 0.664 176.683 176.000 0.033 0.000 0.833 615 Q CA 0.376 56.168 55.803 -0.019 0.000 0.990 615 Q CB -0.304 28.282 28.738 -0.253 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 0.260 0.000 2.547 616 G HA2 0.478 4.437 3.960 -0.001 0.000 0.291 616 G HA3 0.478 4.437 3.960 -0.001 0.000 0.291 616 G C -2.716 172.376 174.900 0.320 0.000 1.211 616 G CA -1.251 44.141 45.100 0.486 0.000 0.950 616 G HN 0.059 nan 8.290 nan 0.000 0.504 617 P HA 0.184 nan 4.420 nan 0.000 0.270 617 P C 0.433 177.699 177.300 -0.056 0.000 1.223 617 P CA -0.152 62.950 63.100 0.003 0.000 0.785 617 P CB 1.012 32.723 31.700 0.019 0.000 0.923 618 I N -1.047 119.351 120.570 -0.287 0.000 2.900 618 I HA 0.182 4.351 4.170 -0.001 0.000 0.251 618 I C 0.678 176.982 176.117 0.312 0.000 1.102 618 I CA 0.554 61.747 61.300 -0.179 0.000 1.457 618 I CB -0.297 37.644 38.000 -0.099 0.000 1.285 618 I HN 0.445 nan 8.210 nan 0.000 0.459 619 W N 1.052 122.471 121.300 0.197 0.000 3.207 619 W HA 0.827 5.487 4.660 -0.000 0.000 0.326 619 W C -1.201 175.430 176.519 0.187 0.000 1.190 619 W CA -1.217 56.280 57.345 0.254 0.000 1.011 619 W CB 0.822 30.472 29.460 0.317 0.000 1.511 619 W HN -0.068 nan 8.180 nan 0.000 0.606 620 A N 1.327 124.428 122.820 0.469 0.000 2.555 620 A HA 0.450 4.769 4.320 -0.001 0.000 0.297 620 A C -1.555 176.175 177.584 0.243 0.000 1.060 620 A CA -1.091 51.119 52.037 0.289 0.000 0.710 620 A CB 1.470 20.566 19.000 0.159 0.000 1.282 620 A HN 0.699 nan 8.150 nan 0.000 0.399 621 K N 3.538 124.028 120.400 0.151 0.000 2.315 621 K HA 0.366 4.685 4.320 -0.001 0.000 0.291 621 K C -0.483 176.066 176.600 -0.085 0.000 1.074 621 K CA -0.274 55.943 56.287 -0.118 0.000 0.936 621 K CB -0.236 31.976 32.500 -0.480 0.000 1.049 621 K HN 0.615 nan 8.250 nan 0.000 0.471 622 I N 7.581 128.076 120.570 -0.125 0.000 2.742 622 I HA -0.042 4.127 4.170 -0.001 0.000 0.287 622 I C -1.780 174.248 176.117 -0.147 0.000 1.186 622 I CA -1.577 59.627 61.300 -0.160 0.000 1.417 622 I CB 0.099 37.924 38.000 -0.291 0.000 1.377 622 I HN 0.473 nan 8.210 nan 0.000 0.556 623 P HA -0.094 nan 4.420 nan 0.000 0.265 623 P C -0.539 176.822 177.300 0.103 0.000 1.187 623 P CA 0.165 63.292 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 1.789 120.878 119.070 0.032 0.000 2.982 624 H HA 0.269 4.825 4.556 -0.001 0.000 0.261 624 H C 0.252 175.636 175.328 0.092 0.000 1.603 624 H CA 0.013 56.097 56.048 0.060 0.000 1.398 624 H CB -0.545 29.218 29.762 0.001 0.000 1.693 624 H HN 0.322 nan 8.280 nan 0.000 0.535 625 T N -0.676 113.889 114.554 0.018 0.000 2.870 625 T HA 0.148 4.497 4.350 -0.001 0.000 0.277 625 T C 1.004 175.560 174.700 -0.240 0.000 1.000 625 T CA -0.900 61.161 62.100 -0.066 0.000 0.982 625 T CB 1.171 70.016 68.868 -0.037 0.000 1.249 625 T HN 0.232 nan 8.240 nan 0.000 0.589 626 D N 0.416 120.703 120.400 -0.188 0.000 2.224 626 D HA 0.200 4.839 4.640 -0.001 0.000 0.205 626 D C 0.878 176.993 176.300 -0.309 0.000 0.965 626 D CA 1.095 54.978 54.000 -0.195 0.000 0.852 626 D CB -0.165 40.574 40.800 -0.103 0.000 0.947 626 D HN 0.826 nan 8.370 nan 0.000 0.494 627 G N -0.643 107.891 108.800 -0.443 0.000 2.746 627 G HA2 0.495 4.455 3.960 -0.001 0.000 0.297 627 G HA3 0.495 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 44.124 45.100 -0.479 0.000 0.989 627 G HN 0.027 nan 8.290 nan 0.000 0.520 628 H N 1.315 120.398 119.070 0.021 0.000 2.928 628 H HA 0.513 5.068 4.556 -0.001 0.000 0.371 628 H C -0.428 174.980 175.328 0.133 0.000 1.186 628 H CA -0.685 55.397 56.048 0.057 0.000 1.134 628 H CB 2.524 32.294 29.762 0.013 0.000 1.824 628 H HN 0.409 nan 8.280 nan 0.000 0.554 629 F N 0.845 120.887 119.950 0.154 0.000 2.324 629 F HA 0.092 4.619 4.527 -0.001 0.000 0.260 629 F C 0.832 176.769 175.800 0.227 0.000 1.073 629 F CA 0.691 58.781 58.000 0.150 0.000 1.073 629 F CB 0.344 39.407 39.000 0.106 0.000 1.114 629 F HN 0.514 nan 8.300 nan 0.000 0.588 630 H N 1.957 121.040 119.070 0.022 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 0.187 0.000 1.463 630 H HN 0.068 nan 8.280 nan 0.000 0.530 631 P HA -0.009 nan 4.420 nan 0.000 0.235 631 P C -0.380 176.915 177.300 -0.007 0.000 1.670 631 P CA 0.324 63.416 63.100 -0.013 0.000 1.017 631 P CB -0.337 31.287 31.700 -0.127 0.000 1.945 632 S N 1.898 117.663 115.700 0.108 0.000 2.437 632 S HA 0.503 4.973 4.470 -0.001 0.000 0.305 632 S C -2.500 172.191 174.600 0.152 0.000 1.109 632 S CA -2.108 56.179 58.200 0.145 0.000 1.099 632 S CB 0.272 63.632 63.200 0.267 0.000 1.004 632 S HN -0.026 nan 8.310 nan 0.000 0.475 633 P HA 0.033 nan 4.420 nan 0.000 0.258 633 P C 0.721 178.092 177.300 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 2.440 123.728 121.223 0.107 0.000 2.127 634 L HA -0.167 4.173 4.340 -0.001 0.000 0.211 634 L C 2.065 179.003 176.870 0.112 0.000 1.089 634 L CA 1.569 56.473 54.840 0.106 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 -0.862 118.800 119.600 0.103 0.000 2.619 635 M HA 0.140 4.620 4.480 -0.001 0.000 0.251 635 M C 0.726 177.113 176.300 0.144 0.000 1.106 635 M CA 0.502 55.867 55.300 0.109 0.000 1.086 635 M CB -0.016 32.632 32.600 0.080 0.000 1.465 635 M HN 0.336 nan 8.290 nan 0.000 0.506 636 G N -0.140 108.739 108.800 0.131 0.000 2.674 636 G HA2 0.291 4.250 3.960 -0.001 0.000 0.686 636 G HA3 0.291 4.250 3.960 -0.001 0.000 0.686 636 G C -0.366 174.579 174.900 0.074 0.000 1.195 636 G CA -0.628 44.543 45.100 0.119 0.000 0.776 636 G HN 0.732 nan 8.290 nan 0.000 0.654 637 G N -0.547 108.228 108.800 -0.043 0.000 2.297 637 G HA2 0.451 4.411 3.960 -0.001 0.000 0.209 637 G HA3 0.451 4.411 3.960 -0.001 0.000 0.209 637 G C -0.650 174.078 174.900 -0.287 0.000 1.267 637 G CA -0.080 44.905 45.100 -0.191 0.000 1.127 637 G HN 1.625 nan 8.290 nan 0.000 0.498 638 F N 1.965 122.055 119.950 0.234 0.000 2.388 638 F HA 0.569 5.095 4.527 -0.001 0.000 0.358 638 F C 1.130 177.042 175.800 0.188 0.000 1.122 638 F CA 0.068 58.179 58.000 0.185 0.000 1.056 638 F CB 2.017 41.117 39.000 0.166 0.000 1.155 638 F HN 0.712 nan 8.300 nan 0.000 0.461 639 G N 5.174 114.129 108.800 0.258 0.000 2.360 639 G HA2 0.516 4.476 3.960 -0.001 0.000 0.279 639 G HA3 0.516 4.476 3.960 -0.001 0.000 0.279 639 G C -0.823 174.147 174.900 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 3.118 124.401 121.223 0.101 0.000 2.356 640 L HA 0.360 4.699 4.340 -0.001 0.000 0.277 640 L C 1.156 177.946 176.870 -0.133 0.000 0.996 640 L CA -1.114 53.749 54.840 0.038 0.000 0.822 640 L CB 2.219 44.352 42.059 0.125 0.000 1.256 640 L HN 0.425 nan 8.230 nan 0.000 0.413 641 K N 1.035 121.311 120.400 -0.208 0.000 2.026 641 K HA -0.035 4.285 4.320 -0.001 0.000 0.208 641 K C 0.323 176.468 176.600 -0.759 0.000 1.048 641 K CA 1.352 57.358 56.287 -0.468 0.000 0.929 641 K CB 0.043 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 0.311 4.867 4.556 -0.001 0.000 0.257 642 H C -2.413 172.916 175.328 0.002 0.000 1.269 642 H CA -2.228 53.669 56.048 -0.253 0.000 1.409 642 H CB 1.151 30.911 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 -0.344 0.000 1.264 643 P CA -2.154 60.843 63.100 -0.172 0.000 0.824 643 P CB 0.267 31.892 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 -0.328 0.000 1.154 644 P CA -0.082 62.318 63.100 -1.167 0.000 0.805 644 P CB -1.279 29.734 31.700 -1.145 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 -0.219 0.000 1.221 645 P CA 0.290 63.284 63.100 -0.177 0.000 0.788 645 P CB 0.656 32.128 31.700 -0.380 0.000 0.904 646 Q N 0.505 120.148 119.800 -0.262 0.000 2.286 646 Q HA 0.343 4.683 4.340 -0.001 0.000 0.257 646 Q C -0.456 175.203 176.000 -0.568 0.000 0.941 646 Q CA -0.383 55.177 55.803 -0.404 0.000 0.912 646 Q CB 0.288 28.738 28.738 -0.479 0.000 1.192 646 Q HN 0.314 nan 8.270 nan 0.000 0.410 647 I N 3.114 123.383 120.570 -0.501 0.000 2.307 647 I HA 0.199 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 -0.148 60.811 61.300 -0.569 0.000 1.224 647 I CB 0.804 38.403 38.000 -0.670 0.000 1.376 647 I HN 0.499 nan 8.210 nan 0.000 0.470 648 M N 6.646 125.838 119.600 -0.680 0.000 2.359 648 M HA 0.610 5.089 4.480 -0.001 0.000 0.322 648 M C -0.740 175.526 176.300 -0.058 0.000 1.166 648 M CA -0.355 54.662 55.300 -0.472 0.000 1.067 648 M CB 1.441 33.411 32.600 -1.049 0.000 1.523 648 M HN 0.494 nan 8.290 nan 0.000 0.467 649 I N 2.256 122.960 120.570 0.224 0.000 2.775 649 I HA 0.683 4.853 4.170 -0.001 0.000 0.295 649 I C -1.845 174.302 176.117 0.049 0.000 1.287 649 I CA -0.234 61.149 61.300 0.139 0.000 1.029 649 I CB 1.694 39.656 38.000 -0.062 0.000 1.282 649 I HN 0.683 nan 8.210 nan 0.000 0.426 650 K N 3.459 123.737 120.400 -0.203 0.000 2.598 650 K HA 0.549 4.868 4.320 -0.001 0.000 0.271 650 K C -2.010 174.413 176.600 -0.295 0.000 0.947 650 K CA -0.698 55.337 56.287 -0.419 0.000 0.854 650 K CB 0.611 32.428 32.500 -1.137 0.000 1.401 650 K HN 0.326 nan 8.250 nan 0.000 0.415 651 N N 1.187 119.779 118.700 -0.179 0.000 2.442 651 N HA 0.177 4.917 4.740 -0.001 0.000 0.265 651 N C -0.870 174.563 175.510 -0.128 0.000 1.138 651 N CA -0.317 52.679 53.050 -0.090 0.000 0.956 651 N CB 1.088 39.569 38.487 -0.009 0.000 1.067 651 N HN 0.655 nan 8.380 nan 0.000 0.474 652 T N 4.069 118.550 114.554 -0.122 0.000 2.829 652 T HA 0.100 4.449 4.350 -0.001 0.000 0.293 652 T C -2.188 172.391 174.700 -0.202 0.000 0.970 652 T CA -0.593 61.416 62.100 -0.151 0.000 1.168 652 T CB 0.074 68.888 68.868 -0.090 0.000 0.911 652 T HN 0.284 nan 8.240 nan 0.000 0.535 653 P HA 0.138 nan 4.420 nan 0.000 0.263 653 P C -0.820 176.259 177.300 -0.367 0.000 1.195 653 P CA -0.144 62.493 63.100 -0.772 0.000 0.762 653 P CB 0.381 31.420 31.700 -1.101 0.000 0.799 654 V N 7.248 127.045 119.914 -0.194 0.000 2.334 654 V HA 0.266 4.386 4.120 -0.001 0.000 0.281 654 V C -2.110 174.114 176.094 0.217 0.000 1.016 654 V CA -2.158 60.149 62.300 0.011 0.000 0.832 654 V CB 1.457 33.296 31.823 0.027 0.000 0.999 654 V HN 0.455 nan 8.190 nan 0.000 0.439 655 P HA 0.138 nan 4.420 nan 0.000 0.263 655 P C 0.238 177.629 177.300 0.152 0.000 1.195 655 P CA 0.459 63.627 63.100 0.114 0.000 0.762 655 P CB 0.686 32.200 31.700 -0.310 0.000 0.799 656 A N 4.369 127.320 122.820 0.218 0.000 2.404 656 A HA 0.035 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 -0.054 52.076 52.037 0.155 0.000 0.847 656 A CB -0.349 18.720 19.000 0.114 0.000 1.473 656 A HN 0.596 nan 8.150 nan 0.000 0.602 657 N N 0.802 119.565 118.700 0.105 0.000 2.470 657 N HA 0.300 5.039 4.740 -0.001 0.000 0.268 657 N C -2.605 172.974 175.510 0.115 0.000 1.136 657 N CA -0.882 52.223 53.050 0.091 0.000 0.961 657 N CB 0.309 38.825 38.487 0.048 0.000 1.067 657 N HN 0.236 nan 8.380 nan 0.000 0.468 658 P HA 0.487 nan 4.420 nan 0.000 0.287 658 P C -2.633 174.713 177.300 0.077 0.000 1.270 658 P CA -1.253 61.948 63.100 0.169 0.000 0.844 658 P CB 0.292 32.124 31.700 0.221 0.000 1.068 659 P HA 0.230 nan 4.420 nan 0.000 0.277 659 P C 0.531 177.862 177.300 0.052 0.000 1.240 659 P CA -0.203 62.910 63.100 0.023 0.000 0.798 659 P CB 0.334 32.025 31.700 -0.015 0.000 0.979 660 T N -1.231 113.348 114.554 0.042 0.000 3.035 660 T HA -0.028 4.322 4.350 -0.001 0.000 0.268 660 T C 0.911 175.652 174.700 0.068 0.000 1.109 660 T CA 1.243 63.375 62.100 0.052 0.000 1.119 660 T CB -0.204 68.686 68.868 0.037 0.000 0.900 660 T HN 0.477 nan 8.240 nan 0.000 0.503 661 T N 1.029 115.621 114.554 0.063 0.000 2.867 661 T HA 0.486 4.835 4.350 -0.001 0.000 0.282 661 T C -0.739 174.034 174.700 0.123 0.000 1.000 661 T CA -0.972 61.180 62.100 0.087 0.000 1.042 661 T CB 0.256 69.155 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 0.494 5.021 4.527 -0.001 0.000 0.360 662 F C 0.331 176.145 175.800 0.023 0.000 1.101 662 F CA -0.047 57.970 58.000 0.029 0.000 1.251 662 F CB 0.643 39.660 39.000 0.029 0.000 1.132 662 F HN 0.448 nan 8.300 nan 0.000 0.570 663 S N 6.925 122.120 115.700 -0.842 0.000 2.605 663 S HA 0.510 4.979 4.470 -0.001 0.000 0.308 663 S C -1.904 172.142 174.600 -0.924 0.000 1.113 663 S CA -1.283 56.498 58.200 -0.699 0.000 1.049 663 S CB 1.408 64.406 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 0.166 177.373 177.300 -0.154 0.000 1.177 664 P CA 0.148 63.049 63.100 -0.332 0.000 0.773 664 P CB -0.041 31.591 31.700 -0.113 0.000 0.878 665 A N 0.908 123.626 122.820 -0.170 0.000 2.531 665 A HA 0.028 4.348 4.320 -0.001 0.000 0.236 665 A C 0.579 178.131 177.584 -0.053 0.000 1.062 665 A CA -0.211 51.766 52.037 -0.100 0.000 0.760 665 A CB -0.303 18.621 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 4.336 4.320 -0.001 0.000 0.279 666 K C -0.825 175.808 176.600 0.057 0.000 0.993 666 K CA 0.234 56.566 56.287 0.075 0.000 1.030 666 K CB 0.057 32.612 32.500 0.093 0.000 0.891 666 K HN 0.497 nan 8.250 nan 0.000 0.488 667 F N 2.989 122.940 119.950 0.003 0.000 2.456 667 F HA 0.244 4.770 4.527 -0.001 0.000 0.358 667 F C 0.707 176.422 175.800 -0.142 0.000 1.095 667 F CA 0.764 58.705 58.000 -0.099 0.000 1.216 667 F CB 1.212 40.166 39.000 -0.077 0.000 1.125 667 F HN 0.681 nan 8.300 nan 0.000 0.549 668 A N 3.070 125.685 122.820 -0.342 0.000 2.704 668 A HA 0.181 4.500 4.320 -0.001 0.000 0.260 668 A C 0.130 177.476 177.584 -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 18.863 19.000 -0.024 0.000 1.256 668 A HN 0.480 nan 8.150 nan 0.000 0.598 669 S N 0.717 116.011 115.700 -0.675 0.000 2.466 669 S HA 0.712 5.182 4.470 -0.001 0.000 0.313 669 S C -0.951 173.453 174.600 -0.326 0.000 1.078 669 S CA -0.337 57.626 58.200 -0.394 0.000 1.115 669 S CB -0.545 62.445 63.200 -0.351 0.000 1.006 669 S HN 0.202 nan 8.310 nan 0.000 0.487 670 F N 3.052 123.130 119.950 0.213 0.000 2.556 670 F HA 0.571 5.098 4.527 -0.001 0.000 0.327 670 F C 0.439 176.327 175.800 0.146 0.000 1.059 670 F CA -1.277 56.840 58.000 0.195 0.000 0.953 670 F CB 1.195 40.320 39.000 0.208 0.000 1.227 670 F HN 0.282 nan 8.300 nan 0.000 0.478 671 I N 1.503 122.267 120.570 0.322 0.000 2.471 671 I HA 0.112 4.282 4.170 -0.001 0.000 0.286 671 I C 0.350 176.591 176.117 0.207 0.000 1.079 671 I CA -0.359 61.061 61.300 0.200 0.000 1.398 671 I CB 0.907 38.988 38.000 0.135 0.000 1.403 671 I HN 0.604 nan 8.210 nan 0.000 0.530 672 T N 4.492 119.140 114.554 0.157 0.000 2.814 672 T HA 0.395 4.744 4.350 -0.001 0.000 0.297 672 T C -0.380 174.391 174.700 0.118 0.000 0.956 672 T CA -0.639 61.540 62.100 0.132 0.000 1.123 672 T CB 0.765 69.690 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 0.119 0.000 2.472 673 Q HA 0.563 4.902 4.340 -0.001 0.000 0.281 673 Q C -1.774 174.305 176.000 0.132 0.000 0.997 673 Q CA -1.356 54.505 55.803 0.097 0.000 0.828 673 Q CB 1.492 30.248 28.738 0.030 0.000 1.443 673 Q HN 0.863 nan 8.270 nan 0.000 0.390 674 Y N -1.142 119.149 120.300 -0.015 0.000 2.545 674 Y HA 0.836 5.386 4.550 -0.001 0.000 0.348 674 Y C -0.848 175.057 175.900 0.008 0.000 1.002 674 Y CA -0.825 57.262 58.100 -0.022 0.000 1.039 674 Y CB 2.037 40.468 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 -0.651 174.035 174.600 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 -0.452 114.008 114.554 -0.158 0.000 2.853 676 T HA 0.760 5.110 4.350 -0.001 0.000 0.311 676 T C -0.347 173.658 174.700 -1.160 0.000 1.307 676 T CA 0.270 61.950 62.100 -0.699 0.000 1.019 676 T CB 1.059 69.721 68.868 -0.344 0.000 1.264 676 T HN 1.737 nan 8.240 nan 0.000 0.497 677 G N 1.796 109.449 108.800 -1.912 0.000 2.325 677 G HA2 0.493 4.453 3.960 -0.001 0.000 0.295 677 G HA3 0.493 4.453 3.960 -0.001 0.000 0.295 677 G C -2.092 172.011 174.900 -1.329 0.000 1.274 677 G CA -0.665 43.694 45.100 -1.234 0.000 0.857 677 G HN 0.768 nan 8.290 nan 0.000 0.499 678 Q N -1.354 118.044 119.800 -0.671 0.000 2.248 678 Q HA 0.758 5.098 4.340 -0.001 0.000 0.263 678 Q C -0.572 175.209 176.000 -0.365 0.000 1.007 678 Q CA -0.730 54.719 55.803 -0.590 0.000 0.877 678 Q CB 2.540 30.790 28.738 -0.813 0.000 1.315 678 Q HN 0.975 nan 8.270 nan 0.000 0.454 679 V N 0.201 120.027 119.914 -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 -0.170 0.000 1.090 679 V CA -0.317 61.874 62.300 -0.182 0.000 0.930 679 V CB 2.344 34.117 31.823 -0.084 0.000 1.014 679 V HN 0.692 nan 8.190 nan 0.000 0.425 680 S N 4.308 119.895 115.700 -0.189 0.000 2.557 680 S HA 0.817 5.287 4.470 -0.001 0.000 0.291 680 S C -1.477 172.954 174.600 -0.281 0.000 1.116 680 S CA -0.453 57.665 58.200 -0.137 0.000 0.992 680 S CB 1.595 64.834 63.200 0.065 0.000 1.028 680 S HN 0.877 nan 8.310 nan 0.000 0.484 681 V N 4.957 124.736 119.914 -0.225 0.000 2.443 681 V HA 0.498 4.618 4.120 -0.001 0.000 0.293 681 V C -0.232 175.785 176.094 -0.129 0.000 1.021 681 V CA -0.651 61.513 62.300 -0.227 0.000 0.848 681 V CB 1.479 33.022 31.823 -0.468 0.000 0.998 681 V HN 0.902 nan 8.190 nan 0.000 0.424 682 E N 5.477 125.613 120.200 -0.107 0.000 2.151 682 E HA 0.651 5.001 4.350 -0.001 0.000 0.275 682 E C -1.424 175.127 176.600 -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 0.646 nan 8.360 nan 0.000 0.401 683 I N 3.530 124.055 120.570 -0.075 0.000 2.498 683 I HA 0.269 4.439 4.170 -0.001 0.000 0.290 683 I C -0.220 175.765 176.117 -0.219 0.000 1.032 683 I CA -0.801 60.398 61.300 -0.168 0.000 1.073 683 I CB 2.064 39.913 38.000 -0.252 0.000 1.251 683 I HN 0.555 nan 8.210 nan 0.000 0.426 684 E N 5.214 125.233 120.200 -0.302 0.000 2.231 684 E HA 0.373 4.723 4.350 -0.001 0.000 0.277 684 E C -1.935 174.425 176.600 -0.400 0.000 0.999 684 E CA -0.584 55.691 56.400 -0.207 0.000 0.827 684 E CB 1.305 30.933 29.700 -0.120 0.000 1.101 684 E HN 0.405 nan 8.360 nan 0.000 0.393 685 W N 2.732 124.021 121.300 -0.017 0.000 2.619 685 W HA 0.287 4.947 4.660 -0.001 0.000 0.327 685 W C -0.202 176.363 176.519 0.076 0.000 1.027 685 W CA -0.700 56.676 57.345 0.052 0.000 1.233 685 W CB 1.250 30.804 29.460 0.157 0.000 1.370 685 W HN 0.459 nan 8.180 nan 0.000 0.453 686 E N 3.252 123.601 120.200 0.248 0.000 2.331 686 E HA 0.473 4.823 4.350 -0.001 0.000 0.272 686 E C -0.900 175.979 176.600 0.464 0.000 1.036 686 E CA -0.284 56.271 56.400 0.258 0.000 0.864 686 E CB 0.823 30.599 29.700 0.126 0.000 1.035 686 E HN 0.461 nan 8.360 nan 0.000 0.408 687 L N 3.297 124.798 121.223 0.463 0.000 2.342 687 L HA 0.362 4.702 4.340 -0.001 0.000 0.271 687 L C -0.299 176.810 176.870 0.399 0.000 1.008 687 L CA -0.765 54.376 54.840 0.501 0.000 0.818 687 L CB 1.922 44.200 42.059 0.365 0.000 1.296 687 L HN 0.546 nan 8.230 nan 0.000 0.427 688 Q N 3.099 123.063 119.800 0.274 0.000 2.394 688 Q HA 0.251 4.591 4.340 -0.001 0.000 0.259 688 Q C -0.825 175.181 176.000 0.010 0.000 1.021 688 Q CA -0.786 54.980 55.803 -0.060 0.000 0.805 688 Q CB 1.166 29.622 28.738 -0.471 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 -0.099 176.244 176.600 -0.429 0.000 1.008 689 K CA -0.004 56.187 56.287 -0.159 0.000 0.910 689 K CB 0.657 33.074 32.500 -0.139 0.000 0.994 689 K HN 0.656 nan 8.250 nan 0.000 0.495 690 E N 1.984 121.816 120.200 -0.613 0.000 2.200 690 E HA 0.035 4.384 4.350 -0.001 0.000 0.283 690 E C -1.019 175.003 176.600 -0.964 0.000 1.015 690 E CA -0.206 55.413 56.400 -1.302 0.000 0.819 690 E CB 0.555 29.625 29.700 -1.051 0.000 1.081 690 E HN 0.356 nan 8.360 nan 0.000 0.397 691 N N 2.948 121.013 118.700 -1.058 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 -0.169 0.000 1.269 691 N CA -0.222 52.576 53.050 -0.419 0.000 0.799 691 N CB 0.969 39.319 38.487 -0.228 0.000 1.173 691 N HN 0.232 nan 8.380 nan 0.000 0.516 692 S N 1.103 116.712 115.700 -0.151 0.000 2.513 692 S HA 0.444 4.914 4.470 -0.001 0.000 0.299 692 S C 0.063 174.685 174.600 0.036 0.000 1.087 692 S CA -0.616 57.626 58.200 0.071 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 2.368 122.816 120.400 0.079 0.000 2.493 693 K HA 0.156 4.475 4.320 -0.001 0.000 0.207 693 K C 0.268 176.943 176.600 0.126 0.000 1.033 693 K CA -0.264 56.074 56.287 0.084 0.000 1.161 693 K CB -0.133 32.418 32.500 0.085 0.000 0.873 693 K HN 0.555 nan 8.250 nan 0.000 0.491 694 R N 0.965 121.537 120.500 0.119 0.000 2.502 694 R HA -0.108 4.232 4.340 -0.001 0.000 0.292 694 R C 1.082 177.473 176.300 0.152 0.000 0.998 694 R CA 0.236 56.420 56.100 0.140 0.000 1.056 694 R CB 0.067 30.440 30.300 0.121 0.000 0.939 694 R HN 0.297 nan 8.270 nan 0.000 0.411 695 W N 5.834 127.148 121.300 0.024 0.000 2.452 695 W HA -0.091 4.568 4.660 -0.001 0.000 0.313 695 W C -0.101 176.427 176.519 0.015 0.000 1.176 695 W CA 1.124 58.478 57.345 0.015 0.000 1.350 695 W CB -0.230 29.237 29.460 0.013 0.000 1.148 695 W HN 0.755 nan 8.180 nan 0.000 0.498 696 N N 2.069 120.892 118.700 0.205 0.000 2.444 696 N HA 0.088 4.828 4.740 -0.001 0.000 0.255 696 N C -2.700 172.814 175.510 0.007 0.000 1.255 696 N CA -1.047 52.055 53.050 0.087 0.000 0.933 696 N CB -0.610 37.976 38.487 0.165 0.000 1.143 696 N HN -0.103 nan 8.380 nan 0.000 0.453 697 P HA 0.077 nan 4.420 nan 0.000 0.267 697 P C -0.197 177.121 177.300 0.029 0.000 1.200 697 P CA 0.271 63.362 63.100 -0.016 0.000 0.772 697 P CB 0.552 32.241 31.700 -0.019 0.000 0.855 698 E N 1.348 121.573 120.200 0.042 0.000 2.292 698 E HA 0.367 4.716 4.350 -0.001 0.000 0.258 698 E C 0.289 176.942 176.600 0.088 0.000 1.115 698 E CA -0.995 55.452 56.400 0.078 0.000 0.929 698 E CB 0.811 30.577 29.700 0.110 0.000 1.161 698 E HN 0.439 nan 8.360 nan 0.000 0.453 699 I N -1.205 119.435 120.570 0.116 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 -0.485 60.905 61.300 0.151 0.000 1.381 699 I CB 0.652 38.722 38.000 0.117 0.000 1.417 699 I HN 0.169 nan 8.210 nan 0.000 0.540 700 Q N 4.680 124.630 119.800 0.251 0.000 2.394 700 Q HA 0.304 4.643 4.340 -0.001 0.000 0.273 700 Q C -1.407 174.731 176.000 0.230 0.000 1.089 700 Q CA -0.795 55.138 55.803 0.217 0.000 0.812 700 Q CB 2.825 31.605 28.738 0.071 0.000 1.353 700 Q HN 0.791 nan 8.270 nan 0.000 0.438 701 Y N 0.995 121.187 120.300 -0.181 0.000 2.346 701 Y HA 0.295 4.845 4.550 -0.001 0.000 0.330 701 Y C -0.116 175.763 175.900 -0.035 0.000 1.178 701 Y CA 0.862 58.870 58.100 -0.154 0.000 1.331 701 Y CB 0.991 39.126 38.460 -0.542 0.000 1.253 701 Y HN 0.616 nan 8.280 nan 0.000 0.529 702 T N 3.629 117.777 114.554 -0.676 0.000 2.840 702 T HA 0.432 4.782 4.350 -0.001 0.000 0.317 702 T C -1.242 173.222 174.700 -0.394 0.000 1.401 702 T CA -0.753 61.150 62.100 -0.328 0.000 1.028 702 T CB 0.868 69.663 68.868 -0.122 0.000 1.317 702 T HN 0.613 nan 8.240 nan 0.000 0.495 703 S N 2.049 117.695 115.700 -0.090 0.000 2.586 703 S HA 0.378 4.847 4.470 -0.001 0.000 0.274 703 S C 0.103 174.729 174.600 0.043 0.000 1.281 703 S CA -0.630 57.575 58.200 0.009 0.000 1.035 703 S CB 0.184 63.448 63.200 0.106 0.000 0.962 703 S HN 0.713 nan 8.310 nan 0.000 0.512 704 N N 1.932 120.661 118.700 0.048 0.000 2.427 704 N HA 0.055 4.794 4.740 -0.001 0.000 0.269 704 N C 0.650 176.206 175.510 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 1.096 121.394 120.300 -0.004 0.000 2.639 705 Y HA 0.078 4.628 4.550 -0.001 0.000 0.297 705 Y C 0.062 175.964 175.900 0.004 0.000 1.151 705 Y CA -0.513 57.589 58.100 0.003 0.000 1.335 705 Y CB -0.160 38.300 38.460 0.000 0.000 0.994 705 Y HN 0.313 nan 8.280 nan 0.000 0.548 706 N N 2.535 120.873 118.700 -0.603 0.000 2.415 706 N HA -0.032 4.708 4.740 -0.001 0.000 0.248 706 N C -0.496 174.876 175.510 -0.229 0.000 1.271 706 N CA -0.200 52.526 53.050 -0.539 0.000 0.913 706 N CB 0.514 38.746 38.487 -0.425 0.000 1.129 706 N HN 0.318 nan 8.380 nan 0.000 0.444 707 K N 0.556 120.851 120.400 -0.174 0.000 2.453 707 K HA 0.003 4.322 4.320 -0.001 0.000 0.280 707 K C -0.303 176.250 176.600 -0.077 0.000 1.045 707 K CA 0.363 56.595 56.287 -0.092 0.000 1.059 707 K CB 0.216 32.674 32.500 -0.071 0.000 0.901 707 K HN 0.453 nan 8.250 nan 0.000 0.475 708 S N 2.784 118.453 115.700 -0.052 0.000 2.599 708 S HA 0.329 4.798 4.470 -0.001 0.000 0.294 708 S C 0.842 175.422 174.600 -0.032 0.000 1.094 708 S CA -1.053 57.121 58.200 -0.043 0.000 0.931 708 S CB 1.581 64.760 63.200 -0.035 0.000 1.093 708 S HN 0.366 nan 8.310 nan 0.000 0.488 709 V N 3.228 123.121 119.914 -0.034 0.000 2.238 709 V HA -0.008 4.111 4.120 -0.001 0.000 0.235 709 V C 0.797 176.874 176.094 -0.028 0.000 1.037 709 V CA 1.484 63.765 62.300 -0.032 0.000 0.991 709 V CB -0.865 30.936 31.823 -0.037 0.000 0.638 709 V HN 0.837 nan 8.190 nan 0.000 0.457 710 N N -0.899 117.780 118.700 -0.036 0.000 2.472 710 N HA 0.477 5.217 4.740 -0.001 0.000 0.289 710 N C -1.031 174.464 175.510 -0.026 0.000 1.156 710 N CA -0.601 52.427 53.050 -0.036 0.000 0.940 710 N CB 1.971 40.423 38.487 -0.058 0.000 1.200 710 N HN 0.084 nan 8.380 nan 0.000 0.511 711 V N 1.381 121.290 119.914 -0.009 0.000 2.530 711 V HA 0.044 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 -0.435 61.880 62.300 0.024 0.000 0.997 711 V CB 0.763 32.619 31.823 0.056 0.000 0.987 711 V HN 0.615 nan 8.190 nan 0.000 0.477 712 D N 4.654 125.088 120.400 0.058 0.000 2.531 712 D HA 0.104 4.743 4.640 -0.001 0.000 0.239 712 D C 0.111 176.535 176.300 0.207 0.000 1.144 712 D CA 0.684 54.718 54.000 0.058 0.000 0.869 712 D CB 0.012 40.937 40.800 0.209 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 0.315 176.095 175.800 -0.032 0.000 1.086 713 F CA 0.352 58.266 58.000 -0.142 0.000 1.174 713 F CB -1.736 37.304 39.000 0.066 0.000 1.590 713 F HN 0.166 nan 8.300 nan 0.000 0.808 714 T N -0.763 113.721 114.554 -0.116 0.000 2.786 714 T HA 0.607 4.957 4.350 -0.001 0.000 0.316 714 T C -0.175 174.456 174.700 -0.115 0.000 1.503 714 T CA -0.464 61.650 62.100 0.024 0.000 1.019 714 T CB 1.927 70.822 68.868 0.046 0.000 1.415 714 T HN 0.495 nan 8.240 nan 0.000 0.496 715 V N 0.356 120.209 119.914 -0.101 0.000 3.185 715 V HA 0.638 4.758 4.120 -0.001 0.000 0.305 715 V C 0.234 176.274 176.094 -0.091 0.000 1.090 715 V CA -0.374 61.841 62.300 -0.141 0.000 1.107 715 V CB 0.397 32.112 31.823 -0.181 0.000 1.061 715 V HN 0.996 nan 8.190 nan 0.000 0.480 716 D N 1.072 121.422 120.400 -0.082 0.000 2.509 716 D HA 0.243 4.883 4.640 -0.001 0.000 0.275 716 D C 1.393 177.669 176.300 -0.040 0.000 1.189 716 D CA 0.360 54.324 54.000 -0.061 0.000 1.098 716 D CB -0.253 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 -2.968 111.566 114.554 -0.033 0.000 2.915 717 T HA -0.121 4.229 4.350 -0.001 0.000 0.269 717 T C 0.684 175.373 174.700 -0.018 0.000 1.071 717 T CA 1.275 63.362 62.100 -0.022 0.000 1.132 717 T CB -0.769 68.086 68.868 -0.021 0.000 0.878 717 T HN 0.543 nan 8.240 nan 0.000 0.479 718 N N 0.255 118.942 118.700 -0.021 0.000 2.291 718 N HA 0.413 5.153 4.740 -0.001 0.000 0.244 718 N C 0.714 176.216 175.510 -0.013 0.000 1.216 718 N CA -0.166 52.875 53.050 -0.014 0.000 0.879 718 N CB 0.294 38.773 38.487 -0.013 0.000 1.167 718 N HN 0.499 nan 8.380 nan 0.000 0.515 719 G N -0.128 108.659 108.800 -0.022 0.000 2.470 719 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.286 719 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.286 719 G C -0.939 173.944 174.900 -0.028 0.000 1.115 719 G CA -0.005 45.081 45.100 -0.023 0.000 1.122 719 G HN 0.343 nan 8.290 nan 0.000 0.522 720 V N 1.902 121.784 119.914 -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 -0.074 0.000 1.027 720 V CA -1.343 60.932 62.300 -0.042 0.000 0.862 720 V CB 1.519 33.321 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 -0.220 0.000 2.511 721 Y HA 0.462 5.012 4.550 -0.001 0.000 0.332 721 Y C 0.717 176.533 175.900 -0.142 0.000 1.177 721 Y CA 0.266 58.213 58.100 -0.254 0.000 1.422 721 Y CB 1.017 39.302 38.460 -0.291 0.000 1.271 721 Y HN 0.729 nan 8.280 nan 0.000 0.550 722 S N 4.370 119.633 115.700 -0.729 0.000 2.619 722 S HA 0.413 4.882 4.470 -0.001 0.000 0.280 722 S C -1.507 172.640 174.600 -0.756 0.000 1.150 722 S CA -1.196 56.672 58.200 -0.553 0.000 0.978 722 S CB 1.402 64.395 63.200 -0.344 0.000 1.041 722 S HN 0.676 nan 8.310 nan 0.000 0.485 723 E N 3.099 122.964 120.200 -0.558 0.000 2.001 723 E HA 0.217 4.567 4.350 -0.001 0.000 0.279 723 E C -1.855 174.389 176.600 -0.594 0.000 1.045 723 E CA -2.001 54.037 56.400 -0.603 0.000 0.833 723 E CB 0.458 30.043 29.700 -0.192 0.000 1.077 723 E HN 0.355 nan 8.360 nan 0.000 0.397 724 P HA -0.216 nan 4.420 nan 0.000 0.208 724 P C 0.203 177.339 177.300 -0.273 0.000 1.180 724 P CA 1.520 64.323 63.100 -0.495 0.000 0.935 724 P CB 0.181 31.559 31.700 -0.537 0.000 0.785 725 R N -1.613 118.776 120.500 -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 -2.323 53.786 56.100 0.014 0.000 0.982 725 R CB 0.097 30.470 30.300 0.123 0.000 1.185 725 R HN -0.138 nan 8.270 nan 0.000 0.484 726 P HA 0.198 nan 4.420 nan 0.000 0.274 726 P C -0.697 176.764 177.300 0.268 0.000 1.231 726 P CA -0.369 62.791 63.100 0.099 0.000 0.790 726 P CB 0.524 32.250 31.700 0.044 0.000 0.951 727 I N 1.876 122.641 120.570 0.325 0.000 2.382 727 I HA 0.302 4.471 4.170 -0.001 0.000 0.286 727 I C 1.168 177.645 176.117 0.600 0.000 1.002 727 I CA -0.313 61.214 61.300 0.379 0.000 1.135 727 I CB 0.751 38.848 38.000 0.162 0.000 1.288 727 I HN 0.418 nan 8.210 nan 0.000 0.448 728 G N 3.530 112.681 108.800 0.586 0.000 2.631 728 G HA2 0.223 4.182 3.960 -0.001 0.000 0.271 728 G HA3 0.223 4.182 3.960 -0.001 0.000 0.271 728 G C 0.545 175.616 174.900 0.284 0.000 1.302 728 G CA 0.146 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 -1.403 113.241 114.554 0.150 0.000 2.986 729 T HA 0.176 4.526 4.350 -0.001 0.000 0.264 729 T C 0.912 175.721 174.700 0.183 0.000 0.964 729 T CA -0.221 61.944 62.100 0.108 0.000 0.895 729 T CB 0.022 68.960 68.868 0.116 0.000 1.163 729 T HN 0.362 nan 8.240 nan 0.000 0.517 730 R N 1.204 121.800 120.500 0.160 0.000 2.391 730 R HA 0.344 4.684 4.340 -0.001 0.000 0.310 730 R C -0.592 175.743 176.300 0.059 0.000 1.174 730 R CA -0.168 55.963 56.100 0.051 0.000 1.118 730 R CB 0.376 30.613 30.300 -0.105 0.000 1.134 730 R HN 0.327 nan 8.270 nan 0.000 0.524 731 Y N 0.599 120.923 120.300 0.041 0.000 2.452 731 Y HA 0.238 4.787 4.550 -0.001 0.000 0.262 731 Y C 0.463 176.419 175.900 0.092 0.000 1.089 731 Y CA -0.068 58.075 58.100 0.073 0.000 1.262 731 Y CB 0.881 39.392 38.460 0.086 0.000 1.236 731 Y HN 0.244 nan 8.280 nan 0.000 0.512 732 L N 0.738 122.121 121.223 0.268 0.000 2.334 732 L HA 0.467 4.807 4.340 -0.001 0.000 0.275 732 L C 0.170 177.138 176.870 0.163 0.000 1.036 732 L CA -0.764 54.261 54.840 0.309 0.000 0.807 732 L CB 1.562 43.967 42.059 0.576 0.000 1.231 732 L HN 0.007 nan 8.230 nan 0.000 0.438 733 T N -0.227 114.427 114.554 0.166 0.000 2.794 733 T HA 0.572 4.922 4.350 -0.001 0.000 0.280 733 T C -0.412 174.220 174.700 -0.112 0.000 0.987 733 T CA -0.876 61.234 62.100 0.017 0.000 0.993 733 T CB 2.028 70.937 68.868 0.069 0.000 0.939 733 T HN 0.592 nan 8.240 nan 0.000 0.449 734 R N 2.089 122.402 120.500 -0.312 0.000 2.807 734 R HA 0.476 4.816 4.340 -0.001 0.000 0.276 734 R C -0.726 175.503 176.300 -0.117 0.000 0.979 734 R CA -0.677 55.188 56.100 -0.392 0.000 0.928 734 R CB 1.447 31.113 30.300 -1.055 0.000 1.191 734 R HN 0.712 nan 8.270 nan 0.000 0.471 735 N N 0.952 119.621 118.700 -0.052 0.000 2.374 735 N HA 0.344 5.084 4.740 -0.001 0.000 0.284 735 N C -0.220 175.321 175.510 0.052 0.000 1.280 735 N CA -0.268 52.797 53.050 0.025 0.000 0.963 735 N CB 0.327 38.822 38.487 0.014 0.000 1.141 735 N HN 0.361 nan 8.380 nan 0.000 0.565 736 L N 0.000 121.220 121.223 -0.006 0.000 2.949 736 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 736 L CA 0.000 54.781 54.840 -0.098 0.000 0.813 736 L CB 0.000 41.952 42.059 -0.178 0.000 0.961 736 L HN 0.000 nan 8.230 nan 0.000 0.502