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 2foi_1_C DATA FIRST_RESID 366 DATA SEQUENCE YTFIDYAIEY SEKYAPLRQK LLSTDIGSVA SFLLSRESRA ITGQTIYVDN DATA SEQUENCE GLNIMFLPDD 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 366 Y HA 0.000 nan 4.550 nan 0.000 0.201 366 Y C 0.000 175.942 175.900 0.069 0.000 1.272 366 Y CA 0.000 58.131 58.100 0.052 0.000 1.940 366 Y CB 0.000 38.491 38.460 0.052 0.000 1.050 367 T N -1.213 113.323 114.554 -0.029 0.000 0.541 367 T HA -0.360 3.990 4.350 -0.000 0.000 0.774 367 T C 0.115 174.718 174.700 -0.162 0.000 0.992 367 T CA 0.835 62.903 62.100 -0.054 0.000 4.077 367 T CB -1.354 67.535 68.868 0.035 0.000 2.303 367 T HN 0.782 nan 8.240 nan 0.000 0.398 368 F N 0.980 120.852 119.950 -0.130 0.000 2.163 368 F HA 0.207 4.734 4.527 -0.000 0.000 0.297 368 F C 2.322 178.100 175.800 -0.037 0.000 1.094 368 F CA 1.465 59.417 58.000 -0.080 0.000 1.290 368 F CB -0.402 38.577 39.000 -0.036 0.000 1.017 368 F HN 0.642 nan 8.300 nan 0.000 0.483 369 I N 0.811 121.288 120.570 -0.156 0.000 2.394 369 I HA -0.242 3.928 4.170 -0.000 0.000 0.251 369 I C 1.885 177.859 176.117 -0.238 0.000 1.136 369 I CA 1.642 62.801 61.300 -0.234 0.000 1.425 369 I CB -0.677 37.319 38.000 -0.006 0.000 1.079 369 I HN 0.129 nan 8.210 nan 0.000 0.425 370 D N -0.755 119.518 120.400 -0.212 0.000 2.183 370 D HA -0.226 4.414 4.640 -0.000 0.000 0.203 370 D C 1.890 178.079 176.300 -0.184 0.000 0.969 370 D CA 1.155 55.057 54.000 -0.163 0.000 0.842 370 D CB -0.295 40.444 40.800 -0.101 0.000 0.957 370 D HN 0.430 nan 8.370 nan 0.000 0.484 371 Y N 2.115 122.120 120.300 -0.492 0.000 2.145 371 Y HA -0.171 4.379 4.550 -0.000 0.000 0.286 371 Y C 2.311 178.096 175.900 -0.192 0.000 1.145 371 Y CA 1.656 59.570 58.100 -0.309 0.000 1.148 371 Y CB -0.450 37.799 38.460 -0.351 0.000 0.981 371 Y HN -0.071 nan 8.280 nan 0.000 0.507 372 A N 0.379 122.925 122.820 -0.457 0.000 1.902 372 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 372 A C 2.350 179.797 177.584 -0.227 0.000 1.181 372 A CA 1.871 53.639 52.037 -0.448 0.000 0.623 372 A CB -1.098 17.592 19.000 -0.516 0.000 0.818 372 A HN 0.577 nan 8.150 nan 0.000 0.443 373 I N -0.544 119.923 120.570 -0.173 0.000 2.252 373 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 373 I C 2.591 178.672 176.117 -0.059 0.000 1.102 373 I CA 1.802 63.053 61.300 -0.082 0.000 1.385 373 I CB -0.338 37.629 38.000 -0.055 0.000 1.064 373 I HN 0.605 nan 8.210 nan 0.000 0.414 374 E N 0.715 120.881 120.200 -0.056 0.000 2.077 374 E HA -0.300 4.050 4.350 -0.000 0.000 0.193 374 E C 2.302 178.877 176.600 -0.042 0.000 0.989 374 E CA 1.374 57.762 56.400 -0.020 0.000 0.800 374 E CB -0.291 29.453 29.700 0.074 0.000 0.746 374 E HN 0.507 nan 8.360 nan 0.000 0.452 375 Y N 0.913 121.072 120.300 -0.235 0.000 2.133 375 Y HA -0.216 4.333 4.550 -0.000 0.000 0.287 375 Y C 2.763 178.657 175.900 -0.010 0.000 1.134 375 Y CA 2.010 60.029 58.100 -0.135 0.000 1.133 375 Y CB -0.580 37.625 38.460 -0.425 0.000 0.987 375 Y HN 0.112 nan 8.280 nan 0.000 0.502 376 S N -0.054 115.700 115.700 0.090 0.000 2.374 376 S HA -0.283 4.187 4.470 -0.000 0.000 0.227 376 S C 1.852 176.422 174.600 -0.049 0.000 1.037 376 S CA 2.061 60.288 58.200 0.045 0.000 1.024 376 S CB -0.446 62.776 63.200 0.037 0.000 0.861 376 S HN 0.683 nan 8.310 nan 0.000 0.456 377 E N -0.167 119.986 120.200 -0.079 0.000 2.358 377 E HA 0.002 4.352 4.350 -0.000 0.000 0.195 377 E C 2.063 178.553 176.600 -0.183 0.000 1.010 377 E CA 0.427 56.767 56.400 -0.100 0.000 0.856 377 E CB 0.065 29.719 29.700 -0.075 0.000 0.795 377 E HN 0.455 nan 8.360 nan 0.000 0.504 378 K N -0.456 119.764 120.400 -0.301 0.000 2.166 378 K HA -0.041 4.278 4.320 -0.000 0.000 0.201 378 K C 0.789 176.968 176.600 -0.701 0.000 1.052 378 K CA 0.800 56.752 56.287 -0.559 0.000 0.969 378 K CB 0.331 32.358 32.500 -0.789 0.000 0.761 378 K HN 0.101 nan 8.250 nan 0.000 0.459 379 Y N -0.388 119.713 120.300 -0.332 0.000 2.426 379 Y HA 0.381 4.931 4.550 -0.000 0.000 0.249 379 Y C 0.375 176.162 175.900 -0.187 0.000 1.103 379 Y CA -0.472 57.427 58.100 -0.335 0.000 1.256 379 Y CB 0.618 38.682 38.460 -0.659 0.000 1.208 379 Y HN -0.053 nan 8.280 nan 0.000 0.519 380 A N 1.258 124.066 122.820 -0.021 0.000 2.425 380 A HA 0.244 4.563 4.320 -0.000 0.000 0.249 380 A C -1.416 176.164 177.584 -0.006 0.000 1.084 380 A CA -1.045 50.997 52.037 0.008 0.000 0.781 380 A CB 0.066 19.072 19.000 0.009 0.000 1.019 380 A HN 0.096 nan 8.150 nan 0.000 0.490 381 P HA -0.130 nan 4.420 nan 0.000 0.217 381 P C 0.038 177.330 177.300 -0.013 0.000 1.158 381 P CA 0.998 64.097 63.100 -0.002 0.000 0.887 381 P CB -0.019 31.683 31.700 0.003 0.000 0.792 382 L N -0.612 120.605 121.223 -0.010 0.000 2.265 382 L HA 0.212 4.552 4.340 -0.000 0.000 0.288 382 L C 1.517 178.371 176.870 -0.026 0.000 1.058 382 L CA 0.083 54.914 54.840 -0.015 0.000 0.809 382 L CB 0.606 42.660 42.059 -0.007 0.000 1.179 382 L HN -0.278 nan 8.230 nan 0.000 0.429 383 R N 1.613 122.093 120.500 -0.034 0.000 2.189 383 R HA -0.029 4.311 4.340 -0.000 0.000 0.218 383 R C 0.771 177.048 176.300 -0.039 0.000 1.074 383 R CA 0.563 56.635 56.100 -0.047 0.000 0.991 383 R CB -0.106 30.163 30.300 -0.051 0.000 0.883 383 R HN 0.758 nan 8.270 nan 0.000 0.457 384 Q N 1.042 120.826 119.800 -0.026 0.000 2.454 384 Q HA -0.037 4.303 4.340 -0.000 0.000 0.247 384 Q C -0.612 175.377 176.000 -0.018 0.000 1.028 384 Q CA -0.068 55.722 55.803 -0.021 0.000 0.910 384 Q CB 0.416 29.146 28.738 -0.015 0.000 1.276 384 Q HN 0.003 nan 8.270 nan 0.000 0.489 385 K N 1.757 122.147 120.400 -0.015 0.000 2.416 385 K HA 0.099 4.419 4.320 -0.000 0.000 0.283 385 K C -0.530 176.067 176.600 -0.005 0.000 1.037 385 K CA -0.481 55.799 56.287 -0.011 0.000 0.995 385 K CB 0.333 32.827 32.500 -0.009 0.000 0.938 385 K HN 0.565 nan 8.250 nan 0.000 0.475 386 L N 6.825 128.047 121.223 -0.001 0.000 2.369 386 L HA 0.234 4.574 4.340 -0.000 0.000 0.279 386 L C -1.048 175.827 176.870 0.007 0.000 1.108 386 L CA 0.245 55.088 54.840 0.006 0.000 0.852 386 L CB 0.256 42.322 42.059 0.012 0.000 1.169 386 L HN 0.579 nan 8.230 nan 0.000 0.452 387 L N 3.985 125.213 121.223 0.008 0.000 2.360 387 L HA 0.411 4.750 4.340 -0.000 0.000 0.271 387 L C 1.529 178.407 176.870 0.013 0.000 1.057 387 L CA -0.243 54.602 54.840 0.009 0.000 0.803 387 L CB 1.595 43.658 42.059 0.007 0.000 1.207 387 L HN 0.799 nan 8.230 nan 0.000 0.445 388 S N -1.336 114.372 115.700 0.013 0.000 2.419 388 S HA -0.180 4.290 4.470 -0.000 0.000 0.233 388 S C 1.665 176.274 174.600 0.015 0.000 1.016 388 S CA 1.363 59.572 58.200 0.015 0.000 0.974 388 S CB -0.720 62.488 63.200 0.014 0.000 0.786 388 S HN 0.892 nan 8.310 nan 0.000 0.492 389 T N -0.706 113.856 114.554 0.014 0.000 2.995 389 T HA -0.036 4.314 4.350 -0.000 0.000 0.269 389 T C 1.208 175.918 174.700 0.017 0.000 1.091 389 T CA 1.093 63.202 62.100 0.015 0.000 1.128 389 T CB -0.535 68.341 68.868 0.012 0.000 0.891 389 T HN 0.248 nan 8.240 nan 0.000 0.492 390 D N 1.446 121.855 120.400 0.015 0.000 2.117 390 D HA 0.002 4.642 4.640 -0.000 0.000 0.197 390 D C 1.819 178.133 176.300 0.023 0.000 0.987 390 D CA 0.682 54.692 54.000 0.016 0.000 0.829 390 D CB -0.309 40.500 40.800 0.015 0.000 0.961 390 D HN 0.359 nan 8.370 nan 0.000 0.460 391 I N 0.721 121.306 120.570 0.024 0.000 2.439 391 I HA -0.056 4.114 4.170 -0.000 0.000 0.251 391 I C 2.426 178.562 176.117 0.032 0.000 1.139 391 I CA 0.868 62.185 61.300 0.028 0.000 1.438 391 I CB -0.617 37.396 38.000 0.022 0.000 1.085 391 I HN -0.013 nan 8.210 nan 0.000 0.427 392 G N -0.318 108.499 108.800 0.028 0.000 2.402 392 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 392 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 392 G C 1.770 176.695 174.900 0.043 0.000 1.162 392 G CA 0.969 46.087 45.100 0.030 0.000 0.777 392 G HN 0.499 nan 8.290 nan 0.000 0.539 393 S N 0.243 115.968 115.700 0.042 0.000 2.423 393 S HA -0.027 4.443 4.470 -0.000 0.000 0.231 393 S C 2.200 176.853 174.600 0.088 0.000 1.014 393 S CA 1.139 59.371 58.200 0.053 0.000 0.965 393 S CB -0.142 63.076 63.200 0.031 0.000 0.785 393 S HN 0.102 nan 8.310 nan 0.000 0.495 394 V N 2.281 122.244 119.914 0.083 0.000 2.346 394 V HA -0.003 4.117 4.120 -0.000 0.000 0.244 394 V C 3.104 179.298 176.094 0.167 0.000 1.037 394 V CA 1.471 63.850 62.300 0.131 0.000 1.029 394 V CB -1.404 30.472 31.823 0.089 0.000 0.663 394 V HN 0.623 nan 8.190 nan 0.000 0.454 395 A N -0.614 122.262 122.820 0.093 0.000 1.933 395 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 395 A C 2.542 180.160 177.584 0.057 0.000 1.175 395 A CA 2.210 54.283 52.037 0.060 0.000 0.628 395 A CB -0.831 18.189 19.000 0.033 0.000 0.814 395 A HN 0.455 nan 8.150 nan 0.000 0.444 396 S N -1.319 114.426 115.700 0.076 0.000 2.365 396 S HA -0.212 4.258 4.470 -0.000 0.000 0.225 396 S C 1.751 176.405 174.600 0.091 0.000 1.039 396 S CA 1.920 60.162 58.200 0.071 0.000 1.033 396 S CB -0.519 62.729 63.200 0.080 0.000 0.887 396 S HN 0.704 nan 8.310 nan 0.000 0.447 397 F N 1.709 121.660 119.950 0.002 0.000 2.146 397 F HA 0.092 4.619 4.527 -0.000 0.000 0.298 397 F C 1.778 177.579 175.800 0.001 0.000 1.096 397 F CA 1.258 59.260 58.000 0.002 0.000 1.275 397 F CB -0.386 38.617 39.000 0.004 0.000 1.008 397 F HN 0.176 nan 8.300 nan 0.000 0.480 398 L N 0.035 121.136 121.223 -0.205 0.000 2.201 398 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 398 L C 2.068 178.787 176.870 -0.252 0.000 1.105 398 L CA 0.855 55.508 54.840 -0.313 0.000 0.775 398 L CB -0.508 41.516 42.059 -0.058 0.000 0.913 398 L HN 0.253 nan 8.230 nan 0.000 0.440 399 L N -0.967 120.163 121.223 -0.154 0.000 2.591 399 L HA 0.034 4.374 4.340 -0.000 0.000 0.228 399 L C 1.303 178.101 176.870 -0.119 0.000 1.133 399 L CA -0.196 54.581 54.840 -0.106 0.000 0.880 399 L CB -0.112 41.916 42.059 -0.051 0.000 1.033 399 L HN 0.254 nan 8.230 nan 0.000 0.450 400 S N -1.689 113.903 115.700 -0.180 0.000 2.747 400 S HA 0.350 4.820 4.470 -0.000 0.000 0.300 400 S C 1.136 175.637 174.600 -0.165 0.000 1.121 400 S CA -0.877 57.243 58.200 -0.134 0.000 0.995 400 S CB 1.465 64.613 63.200 -0.086 0.000 1.113 400 S HN -0.010 nan 8.310 nan 0.000 0.547 401 R N 0.655 121.097 120.500 -0.097 0.000 2.189 401 R HA 0.022 4.362 4.340 -0.000 0.000 0.223 401 R C 1.476 177.724 176.300 -0.086 0.000 1.092 401 R CA 0.695 56.746 56.100 -0.081 0.000 0.989 401 R CB -0.805 29.471 30.300 -0.039 0.000 0.876 401 R HN 0.698 nan 8.270 nan 0.000 0.457 402 E N 0.481 120.633 120.200 -0.080 0.000 2.273 402 E HA -0.116 4.234 4.350 -0.000 0.000 0.198 402 E C 1.281 177.842 176.600 -0.066 0.000 1.002 402 E CA 1.435 57.841 56.400 0.009 0.000 0.828 402 E CB -0.106 29.714 29.700 0.201 0.000 0.747 402 E HN 0.307 nan 8.360 nan 0.000 0.491 403 S N 0.101 115.572 115.700 -0.381 0.000 2.601 403 S HA 0.121 4.591 4.470 -0.000 0.000 0.244 403 S C 1.361 175.848 174.600 -0.188 0.000 1.001 403 S CA -0.509 57.448 58.200 -0.405 0.000 0.984 403 S CB 0.027 62.644 63.200 -0.972 0.000 0.842 403 S HN 0.255 nan 8.310 nan 0.000 0.474 404 R N 0.539 120.970 120.500 -0.115 0.000 2.276 404 R HA -0.035 4.305 4.340 -0.000 0.000 0.243 404 R C 1.449 177.724 176.300 -0.041 0.000 1.161 404 R CA 1.581 57.639 56.100 -0.070 0.000 1.007 404 R CB -0.658 29.616 30.300 -0.043 0.000 0.867 404 R HN 0.465 nan 8.270 nan 0.000 0.472 405 A N 1.029 123.835 122.820 -0.023 0.000 2.390 405 A HA 0.345 4.665 4.320 -0.000 0.000 0.232 405 A C 0.588 178.174 177.584 0.004 0.000 1.233 405 A CA -0.463 51.572 52.037 -0.002 0.000 0.907 405 A CB 0.380 19.389 19.000 0.015 0.000 0.967 405 A HN 0.200 nan 8.150 nan 0.000 0.512 406 I N 0.349 120.914 120.570 -0.009 0.000 2.321 406 I HA 0.451 4.620 4.170 -0.000 0.000 0.291 406 I C 0.017 176.124 176.117 -0.016 0.000 0.998 406 I CA -0.190 61.112 61.300 0.003 0.000 1.227 406 I CB 1.738 39.752 38.000 0.023 0.000 1.368 406 I HN 0.060 nan 8.210 nan 0.000 0.466 407 T N 3.048 117.599 114.554 -0.005 0.000 2.853 407 T HA 0.541 4.890 4.350 -0.000 0.000 0.311 407 T C 0.370 175.068 174.700 -0.002 0.000 1.307 407 T CA 0.365 62.458 62.100 -0.011 0.000 1.019 407 T CB 1.601 70.458 68.868 -0.017 0.000 1.264 407 T HN 0.985 nan 8.240 nan 0.000 0.497 408 G N 2.229 111.026 108.800 -0.006 0.000 2.153 408 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.252 408 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.252 408 G C -0.091 174.810 174.900 0.003 0.000 0.994 408 G CA 0.341 45.440 45.100 -0.002 0.000 0.698 408 G HN 0.722 nan 8.290 nan 0.000 0.521 409 Q N 0.148 119.951 119.800 0.005 0.000 2.222 409 Q HA 0.568 4.908 4.340 -0.000 0.000 0.252 409 Q C -0.054 175.944 176.000 -0.004 0.000 0.926 409 Q CA -0.159 55.652 55.803 0.014 0.000 0.899 409 Q CB 1.480 30.238 28.738 0.032 0.000 1.250 409 Q HN 0.165 nan 8.270 nan 0.000 0.441 410 T N 3.025 117.576 114.554 -0.006 0.000 2.738 410 T HA 0.419 4.769 4.350 -0.000 0.000 0.298 410 T C 0.086 174.752 174.700 -0.057 0.000 0.962 410 T CA -0.382 61.674 62.100 -0.072 0.000 0.972 410 T CB 0.182 68.996 68.868 -0.091 0.000 0.928 410 T HN 0.231 nan 8.240 nan 0.000 0.474 411 I N 4.066 124.588 120.570 -0.080 0.000 2.354 411 I HA 0.300 4.470 4.170 -0.000 0.000 0.292 411 I C -0.390 175.699 176.117 -0.048 0.000 0.989 411 I CA -1.036 60.270 61.300 0.010 0.000 1.188 411 I CB 0.984 39.017 38.000 0.054 0.000 1.342 411 I HN 0.610 nan 8.210 nan 0.000 0.457 412 Y N 5.069 125.389 120.300 0.033 0.000 2.350 412 Y HA 0.331 4.881 4.550 -0.000 0.000 0.340 412 Y C 0.395 176.311 175.900 0.027 0.000 1.006 412 Y CA -0.319 57.798 58.100 0.030 0.000 1.166 412 Y CB 1.355 39.831 38.460 0.027 0.000 1.168 412 Y HN 0.220 nan 8.280 nan 0.000 0.502 413 V N 4.333 124.330 119.914 0.137 0.000 2.276 413 V HA 0.232 4.352 4.120 -0.000 0.000 0.268 413 V C -0.626 175.526 176.094 0.098 0.000 1.032 413 V CA -0.592 61.765 62.300 0.095 0.000 0.810 413 V CB 0.677 32.533 31.823 0.055 0.000 1.060 413 V HN 0.891 nan 8.190 nan 0.000 0.446 414 D N 1.827 122.294 120.400 0.112 0.000 2.783 414 D HA 0.045 4.685 4.640 -0.000 0.000 0.306 414 D C 0.427 176.772 176.300 0.074 0.000 1.633 414 D CA -0.465 53.599 54.000 0.106 0.000 0.796 414 D CB -0.362 40.541 40.800 0.173 0.000 1.230 414 D HN 0.250 nan 8.370 nan 0.000 0.441 415 N N 0.897 119.629 118.700 0.053 0.000 2.708 415 N HA -0.183 4.557 4.740 -0.000 0.000 0.251 415 N C 1.277 176.804 175.510 0.029 0.000 1.123 415 N CA 1.783 54.852 53.050 0.031 0.000 0.739 415 N CB -1.422 37.076 38.487 0.018 0.000 1.113 415 N HN 0.830 nan 8.380 nan 0.000 0.561 416 G N -0.620 108.203 108.800 0.038 0.000 2.176 416 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.253 416 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.253 416 G C 0.857 175.764 174.900 0.011 0.000 0.979 416 G CA 0.444 45.554 45.100 0.017 0.000 0.641 416 G HN 0.427 nan 8.290 nan 0.000 0.530 417 L N 1.193 122.439 121.223 0.040 0.000 2.081 417 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 417 L C 2.806 179.696 176.870 0.034 0.000 1.080 417 L CA 3.012 57.889 54.840 0.062 0.000 0.754 417 L CB -0.528 41.593 42.059 0.103 0.000 0.893 417 L HN 0.736 nan 8.230 nan 0.000 0.433 418 N N 0.644 119.325 118.700 -0.031 0.000 2.519 418 N HA -0.232 4.508 4.740 -0.000 0.000 0.186 418 N C 1.649 177.071 175.510 -0.146 0.000 1.062 418 N CA 1.545 54.508 53.050 -0.145 0.000 0.910 418 N CB -0.626 37.567 38.487 -0.490 0.000 0.958 418 N HN 0.669 nan 8.380 nan 0.000 0.445 419 I N -3.809 116.706 120.570 -0.091 0.000 3.419 419 I HA 0.175 4.345 4.170 -0.000 0.000 0.286 419 I C 0.062 176.181 176.117 0.003 0.000 1.268 419 I CA -0.116 61.145 61.300 -0.064 0.000 1.414 419 I CB -0.107 37.862 38.000 -0.052 0.000 1.074 419 I HN -0.035 nan 8.210 nan 0.000 0.457 420 M N 0.740 120.365 119.600 0.042 0.000 2.233 420 M HA 0.151 4.631 4.480 -0.000 0.000 0.350 420 M C 0.363 176.771 176.300 0.180 0.000 1.176 420 M CA -0.083 55.274 55.300 0.095 0.000 1.150 420 M CB 0.758 33.411 32.600 0.089 0.000 1.530 420 M HN 0.151 nan 8.290 nan 0.000 0.459 421 F N 2.853 122.799 119.950 -0.006 0.000 2.293 421 F HA 0.366 4.893 4.527 -0.000 0.000 0.272 421 F C 0.212 176.008 175.800 -0.006 0.000 1.053 421 F CA 0.401 58.397 58.000 -0.007 0.000 1.152 421 F CB 0.021 39.016 39.000 -0.008 0.000 1.119 421 F HN 0.365 nan 8.300 nan 0.000 0.564 422 L N 1.799 122.971 121.223 -0.085 0.000 2.309 422 L HA 0.354 4.694 4.340 -0.000 0.000 0.282 422 L C -1.978 174.820 176.870 -0.121 0.000 1.036 422 L CA -2.015 52.678 54.840 -0.245 0.000 0.806 422 L CB 0.887 42.766 42.059 -0.301 0.000 1.220 422 L HN 0.060 nan 8.230 nan 0.000 0.429 423 P HA 0.007 nan 4.420 nan 0.000 0.273 423 P C -0.369 176.907 177.300 -0.039 0.000 1.252 423 P CA -0.149 62.795 63.100 -0.260 0.000 0.809 423 P CB 0.642 32.019 31.700 -0.538 0.000 1.017 424 D N -1.482 118.995 120.400 0.128 0.000 2.463 424 D HA 0.039 4.679 4.640 -0.000 0.000 0.237 424 D C 0.372 176.743 176.300 0.118 0.000 1.013 424 D CA 0.431 54.497 54.000 0.109 0.000 0.910 424 D CB -0.208 40.656 40.800 0.107 0.000 1.080 424 D HN 0.383 nan 8.370 nan 0.000 0.498 425 D N 0.000 120.541 120.400 0.235 0.000 6.856 425 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 425 D CA 0.000 54.105 54.000 0.175 0.000 0.868 425 D CB 0.000 40.922 40.800 0.203 0.000 0.688 425 D HN 0.000 nan 8.370 nan 0.000 0.683